NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
645688 | 6jxx | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASP 16 HT1 ASP 16 -4.812 23.373 5.745 2 HA ASP 16 HA ASP 16 -6.920 22.300 7.516 3 HB2 ASP 16 HB2 ASP 16 -6.907 23.218 4.643 4 HB3 ASP 16 HB1 ASP 16 -8.131 22.111 5.258 5 H HIS 17 HN HIS 17 -7.751 20.198 6.649 6 HA HIS 17 HA HIS 17 -5.525 18.595 5.575 7 HB2 HIS 17 HB2 HIS 17 -7.394 18.096 7.839 8 HB3 HIS 17 HB1 HIS 17 -6.912 16.716 6.859 9 HD2 HIS 17 HD2 HIS 17 -4.033 16.342 6.778 10 HE1 HIS 17 HE1 HIS 17 -3.567 18.235 10.531 11 HE2 HIS 17 HE2 HIS 17 -2.552 16.591 8.897 12 H ILE 18 HN ILE 18 -6.036 16.949 4.119 13 HA ILE 18 HA ILE 18 -8.702 17.210 2.889 14 HB ILE 18 HB ILE 18 -6.710 17.883 1.501 15 HG12 ILE 18 HG12 ILE 18 -8.253 15.517 0.420 16 HG13 ILE 18 HG11 ILE 18 -8.866 17.166 0.502 17 HG21 ILE 18 HG21 ILE 18 -5.323 16.106 0.523 18 HG22 ILE 18 HG22 ILE 18 -6.079 14.937 1.606 19 HG23 ILE 18 HG23 ILE 18 -5.100 16.248 2.267 20 HD11 ILE 18 HD11 ILE 18 -6.486 16.244 -1.087 21 HD12 ILE 18 HD12 ILE 18 -7.084 17.901 -1.001 22 HD13 ILE 18 HD13 ILE 18 -8.080 16.638 -1.728 23 H ASN 19 HN ASN 19 -9.841 15.311 2.363 24 HA ASN 19 HA ASN 19 -8.776 12.910 3.696 25 HB2 ASN 19 HB2 ASN 19 -11.127 14.186 4.222 26 HB3 ASN 19 HB1 ASN 19 -11.650 12.965 3.066 27 HD21 ASN 19 HD21 ASN 19 -9.015 12.674 5.387 28 HD22 ASN 19 HD22 ASN 19 -9.735 11.405 6.311 29 H LEU 20 HN LEU 20 -7.984 11.490 2.327 30 HA LEU 20 HA LEU 20 -9.130 11.320 -0.365 31 HB2 LEU 20 HB2 LEU 20 -6.529 10.253 0.738 32 HB3 LEU 20 HB1 LEU 20 -7.075 10.037 -0.915 33 HG LEU 20 HG LEU 20 -6.514 12.711 0.371 34 HD11 LEU 20 HD11 LEU 20 -4.866 11.115 -1.582 35 HD12 LEU 20 HD12 LEU 20 -4.469 11.420 0.108 36 HD13 LEU 20 HD13 LEU 20 -4.522 12.756 -1.041 37 HD21 LEU 20 HD21 LEU 20 -6.618 13.525 -1.974 38 HD22 LEU 20 HD22 LEU 20 -8.161 12.917 -1.372 39 HD23 LEU 20 HD23 LEU 20 -7.189 11.929 -2.465 40 H LYS 21 HN LYS 21 -9.946 9.447 -1.187 41 HA LYS 21 HA LYS 21 -10.637 7.420 0.814 42 HB2 LYS 21 HB2 LYS 21 -11.793 7.949 -1.929 43 HB3 LYS 21 HB1 LYS 21 -12.357 6.714 -0.813 44 HG2 LYS 21 HG2 LYS 21 -13.230 8.297 0.672 45 HG3 LYS 21 HG1 LYS 21 -12.320 9.616 -0.072 46 HD2 LYS 21 HD2 LYS 21 -13.660 9.479 -2.069 47 HD3 LYS 21 HD1 LYS 21 -14.507 8.059 -1.451 48 HE2 LYS 21 HE2 LYS 21 -15.537 9.347 0.280 49 HE3 LYS 21 HE1 LYS 21 -14.530 10.747 -0.093 50 HZ1 LYS 21 HZ1 LYS 21 -16.460 11.300 -1.153 51 HZ2 LYS 21 HZ2 LYS 21 -16.856 9.700 -1.542 52 HZ3 LYS 21 HZ3 LYS 21 -15.655 10.503 -2.416 53 H VAL 22 HN VAL 22 -8.899 6.059 0.861 54 HA VAL 22 HA VAL 22 -8.032 4.880 -1.680 55 HB VAL 22 HB VAL 22 -6.798 4.527 1.061 56 HG11 VAL 22 HG11 VAL 22 -6.314 2.698 -0.485 57 HG12 VAL 22 HG12 VAL 22 -4.870 3.656 -0.159 58 HG13 VAL 22 HG13 VAL 22 -5.736 3.855 -1.681 59 HG21 VAL 22 HG21 VAL 22 -6.641 6.848 0.370 60 HG22 VAL 22 HG22 VAL 22 -5.981 6.357 -1.187 61 HG23 VAL 22 HG23 VAL 22 -5.057 6.076 0.285 62 H ALA 23 HN ALA 23 -8.803 2.931 -2.243 63 HA ALA 23 HA ALA 23 -10.024 1.296 -0.116 64 HB1 ALA 23 HB1 ALA 23 -11.704 0.557 -1.706 65 HB2 ALA 23 HB2 ALA 23 -10.974 1.557 -2.964 66 HB3 ALA 23 HB3 ALA 23 -11.722 2.316 -1.557 67 H GLY 24 HN GLY 24 -9.509 -0.795 -0.007 68 HA2 GLY 24 HA2 GLY 24 -7.436 -1.777 -1.811 69 HA3 GLY 24 HA1 GLY 24 -7.962 -2.538 -0.312 70 H GLN 25 HN GLN 25 -7.610 -4.098 -2.536 71 HA GLN 25 HA GLN 25 -9.978 -4.396 -4.079 72 HB2 GLN 25 HB2 GLN 25 -7.764 -6.395 -3.588 73 HB3 GLN 25 HB1 GLN 25 -8.981 -6.499 -4.855 74 HG2 GLN 25 HG2 GLN 25 -6.791 -4.457 -4.578 75 HG3 GLN 25 HG1 GLN 25 -6.964 -5.687 -5.826 76 HE21 GLN 25 HE21 GLN 25 -6.784 -2.714 -5.906 77 HE22 GLN 25 HE22 GLN 25 -8.148 -2.203 -6.848 78 H ASP 26 HN ASP 26 -9.253 -5.218 -0.899 79 HA ASP 26 HA ASP 26 -11.041 -7.496 -0.745 80 HB2 ASP 26 HB2 ASP 26 -10.482 -7.484 1.647 81 HB3 ASP 26 HB1 ASP 26 -9.026 -7.438 0.659 82 H GLY 27 HN GLY 27 -11.226 -4.111 -0.548 83 HA2 GLY 27 HA2 GLY 27 -13.369 -3.039 -0.598 84 HA3 GLY 27 HA1 GLY 27 -13.991 -4.322 0.427 85 H SER 28 HN SER 28 -10.903 -3.032 1.241 86 HA SER 28 HA SER 28 -12.014 -1.942 3.684 87 HB2 SER 28 HB2 SER 28 -9.505 -1.498 4.146 88 HB3 SER 28 HB1 SER 28 -10.052 -3.173 4.098 89 HG SER 28 HG SER 28 -8.968 -3.502 2.284 90 H VAL 29 HN VAL 29 -12.420 0.147 4.014 91 HA VAL 29 HA VAL 29 -11.281 2.082 2.118 92 HB VAL 29 HB VAL 29 -13.673 2.132 1.989 93 HG11 VAL 29 HG11 VAL 29 -14.078 1.060 4.209 94 HG12 VAL 29 HG12 VAL 29 -15.165 2.390 3.819 95 HG13 VAL 29 HG13 VAL 29 -13.836 2.639 4.950 96 HG21 VAL 29 HG21 VAL 29 -14.177 4.442 2.682 97 HG22 VAL 29 HG22 VAL 29 -12.613 4.303 1.872 98 HG23 VAL 29 HG23 VAL 29 -12.685 4.465 3.630 99 H VAL 30 HN VAL 30 -9.734 3.366 2.882 100 HA VAL 30 HA VAL 30 -9.434 3.537 5.803 101 HB VAL 30 HB VAL 30 -7.107 4.358 5.290 102 HG11 VAL 30 HG11 VAL 30 -6.589 2.270 5.789 103 HG12 VAL 30 HG12 VAL 30 -6.841 1.802 4.107 104 HG13 VAL 30 HG13 VAL 30 -8.180 1.733 5.248 105 HG21 VAL 30 HG21 VAL 30 -7.726 3.349 2.520 106 HG22 VAL 30 HG22 VAL 30 -6.170 3.936 3.112 107 HG23 VAL 30 HG23 VAL 30 -7.535 5.044 2.967 108 H GLN 31 HN GLN 31 -9.551 5.382 6.864 109 HA GLN 31 HA GLN 31 -10.345 7.777 5.433 110 HB2 GLN 31 HB2 GLN 31 -10.841 6.704 8.008 111 HB3 GLN 31 HB1 GLN 31 -9.965 8.208 8.252 112 HG2 GLN 31 HG2 GLN 31 -11.618 9.426 6.986 113 HG3 GLN 31 HG1 GLN 31 -12.465 7.930 6.600 114 HE21 GLN 31 HE21 GLN 31 -13.410 10.323 7.975 115 HE22 GLN 31 HE22 GLN 31 -13.980 9.787 9.515 116 H PHE 32 HN PHE 32 -8.345 8.125 4.355 117 HA PHE 32 HA PHE 32 -5.924 8.514 5.829 118 HB2 PHE 32 HB2 PHE 32 -6.710 8.353 3.062 119 HB3 PHE 32 HB1 PHE 32 -5.618 9.709 3.318 120 HD1 PHE 32 HD1 PHE 32 -5.808 6.293 2.640 121 HD2 PHE 32 HD2 PHE 32 -3.511 9.143 4.804 122 HE1 PHE 32 HE1 PHE 32 -3.904 4.739 2.656 123 HE2 PHE 32 HE2 PHE 32 -1.599 7.596 4.818 124 HZ PHE 32 HZ PHE 32 -1.794 5.392 3.740 125 H LYS 33 HN LYS 33 -5.798 10.169 7.188 126 HA LYS 33 HA LYS 33 -6.812 12.784 6.368 127 HB2 LYS 33 HB2 LYS 33 -7.304 11.966 8.667 128 HB3 LYS 33 HB1 LYS 33 -5.577 11.939 9.003 129 HG2 LYS 33 HG2 LYS 33 -5.430 14.322 8.766 130 HG3 LYS 33 HG1 LYS 33 -7.107 14.412 8.224 131 HD2 LYS 33 HD2 LYS 33 -7.820 13.539 10.430 132 HD3 LYS 33 HD1 LYS 33 -6.135 13.583 10.957 133 HE2 LYS 33 HE2 LYS 33 -6.043 15.944 10.749 134 HE3 LYS 33 HE1 LYS 33 -7.592 15.997 9.910 135 HZ1 LYS 33 HZ1 LYS 33 -7.841 16.684 12.192 136 HZ2 LYS 33 HZ2 LYS 33 -7.168 15.238 12.746 137 HZ3 LYS 33 HZ3 LYS 33 -8.655 15.223 11.951 138 H ILE 34 HN ILE 34 -5.408 13.544 4.887 139 HA ILE 34 HA ILE 34 -2.627 13.926 5.758 140 HB ILE 34 HB ILE 34 -2.635 12.070 4.190 141 HG12 ILE 34 HG12 ILE 34 -1.703 14.474 2.616 142 HG13 ILE 34 HG11 ILE 34 -0.816 13.829 3.990 143 HG21 ILE 34 HG21 ILE 34 -3.496 12.290 1.908 144 HG22 ILE 34 HG22 ILE 34 -4.100 13.899 2.300 145 HG23 ILE 34 HG23 ILE 34 -4.762 12.486 3.118 146 HD11 ILE 34 HD11 ILE 34 -1.434 12.397 1.420 147 HD12 ILE 34 HD12 ILE 34 -0.614 11.679 2.808 148 HD13 ILE 34 HD13 ILE 34 0.135 13.018 1.936 149 H LYS 35 HN LYS 35 -1.559 15.701 4.299 150 HA LYS 35 HA LYS 35 -3.518 17.846 3.911 151 HB2 LYS 35 HB2 LYS 35 -0.525 17.871 4.287 152 HB3 LYS 35 HB1 LYS 35 -1.415 19.289 3.743 153 HG2 LYS 35 HG2 LYS 35 -2.803 19.116 5.807 154 HG3 LYS 35 HG1 LYS 35 -1.708 17.848 6.367 155 HD2 LYS 35 HD2 LYS 35 0.168 19.507 6.024 156 HD3 LYS 35 HD1 LYS 35 -1.081 20.734 5.806 157 HE2 LYS 35 HE2 LYS 35 -1.826 20.545 8.006 158 HE3 LYS 35 HE1 LYS 35 -1.055 18.974 8.231 159 HZ1 LYS 35 HZ1 LYS 35 1.118 20.183 7.970 160 HZ2 LYS 35 HZ2 LYS 35 0.255 20.528 9.386 161 HZ3 LYS 35 HZ3 LYS 35 0.244 21.633 8.105 162 H ARG 36 HN ARG 36 -2.389 19.456 2.083 163 HA ARG 36 HA ARG 36 -2.609 17.825 -0.318 164 HB2 ARG 36 HB2 ARG 36 -2.600 20.829 -0.001 165 HB3 ARG 36 HB1 ARG 36 -2.901 19.961 -1.501 166 HG2 ARG 36 HG2 ARG 36 -4.878 18.911 -0.452 167 HG3 ARG 36 HG1 ARG 36 -4.599 19.891 0.987 168 HD2 ARG 36 HD2 ARG 36 -6.250 21.012 -0.279 169 HD3 ARG 36 HD1 ARG 36 -4.754 21.913 -0.501 170 HE ARG 36 HE ARG 36 -4.558 20.896 -2.694 171 HH11 ARG 36 HH11 ARG 36 -7.693 20.640 -1.092 172 HH12 ARG 36 HH12 ARG 36 -8.586 20.419 -2.648 173 HH21 ARG 36 HH21 ARG 36 -5.676 20.598 -4.671 174 HH22 ARG 36 HH22 ARG 36 -7.469 20.377 -4.620 175 H HIS 37 HN HIS 37 -0.131 19.299 1.516 176 HA HIS 37 HA HIS 37 1.636 19.326 -0.827 177 HB2 HIS 37 HB2 HIS 37 3.051 20.834 0.273 178 HB3 HIS 37 HB1 HIS 37 1.435 21.370 0.701 179 HD2 HIS 37 HD2 HIS 37 0.750 19.855 3.343 180 HE1 HIS 37 HE1 HIS 37 4.624 20.905 4.674 181 HE2 HIS 37 HE2 HIS 37 2.411 19.868 5.338 182 H THR 38 HN THR 38 0.861 17.396 1.819 183 HA THR 38 HA THR 38 3.421 16.341 2.430 184 HB THR 38 HB THR 38 0.820 14.856 2.766 185 HG1 THR 38 HG1 THR 38 1.876 16.792 4.588 186 HG21 THR 38 HG21 THR 38 3.320 14.967 4.466 187 HG22 THR 38 HG22 THR 38 2.907 13.669 3.344 188 HG23 THR 38 HG23 THR 38 1.900 13.965 4.763 189 HA PRO 39 HA PRO 39 4.216 14.007 -1.289 190 HB2 PRO 39 HB2 PRO 39 5.702 12.269 0.617 191 HB3 PRO 39 HB1 PRO 39 6.252 13.015 -0.891 192 HG2 PRO 39 HG2 PRO 39 7.028 14.006 1.436 193 HG3 PRO 39 HG1 PRO 39 6.610 15.078 0.084 194 HD2 PRO 39 HD2 PRO 39 5.039 14.434 2.532 195 HD3 PRO 39 HD1 PRO 39 5.180 15.963 1.643 196 H LEU 40 HN LEU 40 3.175 12.390 -2.288 197 HA LEU 40 HA LEU 40 1.268 10.809 -0.883 198 HB2 LEU 40 HB2 LEU 40 2.247 10.881 -3.717 199 HB3 LEU 40 HB1 LEU 40 1.178 9.600 -3.182 200 HG LEU 40 HG LEU 40 0.525 12.543 -3.021 201 HD11 LEU 40 HD11 LEU 40 -0.977 12.132 -4.885 202 HD12 LEU 40 HD12 LEU 40 -0.427 10.459 -4.973 203 HD13 LEU 40 HD13 LEU 40 0.691 11.774 -5.333 204 HD21 LEU 40 HD21 LEU 40 -1.106 10.063 -2.504 205 HD22 LEU 40 HD22 LEU 40 -1.776 11.687 -2.646 206 HD23 LEU 40 HD23 LEU 40 -0.656 11.309 -1.339 207 H SER 41 HN SER 41 4.579 10.443 -1.542 208 HA SER 41 HA SER 41 4.845 7.662 -1.694 209 HB2 SER 41 HB2 SER 41 7.052 8.807 -0.273 210 HB3 SER 41 HB1 SER 41 6.983 8.302 -1.963 211 HG SER 41 HG SER 41 7.187 10.366 -2.340 212 H LYS 42 HN LYS 42 4.605 9.877 1.033 213 HA LYS 42 HA LYS 42 5.123 7.951 3.061 214 HB2 LYS 42 HB2 LYS 42 5.066 10.609 3.103 215 HB3 LYS 42 HB1 LYS 42 3.402 10.331 3.597 216 HG2 LYS 42 HG2 LYS 42 4.148 9.014 5.486 217 HG3 LYS 42 HG1 LYS 42 5.827 9.202 4.976 218 HD2 LYS 42 HD2 LYS 42 5.452 11.711 5.183 219 HD3 LYS 42 HD1 LYS 42 3.942 11.311 6.012 220 HE2 LYS 42 HE2 LYS 42 5.217 9.997 7.652 221 HE3 LYS 42 HE1 LYS 42 6.713 10.449 6.841 222 HZ1 LYS 42 HZ1 LYS 42 5.896 11.750 8.912 223 HZ2 LYS 42 HZ2 LYS 42 4.902 12.558 7.800 224 HZ3 LYS 42 HZ3 LYS 42 6.586 12.599 7.611 225 H LEU 43 HN LEU 43 2.303 9.051 1.340 226 HA LEU 43 HA LEU 43 0.337 7.844 2.982 227 HB2 LEU 43 HB2 LEU 43 -0.066 9.644 1.275 228 HB3 LEU 43 HB1 LEU 43 0.170 8.437 0.025 229 HG LEU 43 HG LEU 43 -1.881 7.796 2.057 230 HD11 LEU 43 HD11 LEU 43 -2.276 10.178 1.761 231 HD12 LEU 43 HD12 LEU 43 -3.555 9.232 0.998 232 HD13 LEU 43 HD13 LEU 43 -2.296 9.970 0.008 233 HD21 LEU 43 HD21 LEU 43 -1.849 7.675 -0.963 234 HD22 LEU 43 HD22 LEU 43 -3.060 6.958 0.100 235 HD23 LEU 43 HD23 LEU 43 -1.404 6.355 0.117 236 H MET 44 HN MET 44 2.095 6.782 0.102 237 HA MET 44 HA MET 44 0.756 4.332 -0.250 238 HB2 MET 44 HB2 MET 44 3.566 5.160 -0.993 239 HB3 MET 44 HB1 MET 44 2.831 3.645 -1.495 240 HG2 MET 44 HG2 MET 44 0.979 5.096 -2.503 241 HG3 MET 44 HG1 MET 44 2.106 6.436 -2.300 242 HE1 MET 44 HE1 MET 44 4.443 6.624 -3.587 243 HE2 MET 44 HE2 MET 44 5.106 5.320 -4.571 244 HE3 MET 44 HE3 MET 44 4.910 5.099 -2.831 245 H LYS 45 HN LYS 45 3.704 5.162 1.531 246 HA LYS 45 HA LYS 45 4.311 2.551 2.388 247 HB2 LYS 45 HB2 LYS 45 5.043 5.261 3.479 248 HB3 LYS 45 HB1 LYS 45 5.622 3.767 4.203 249 HG2 LYS 45 HG2 LYS 45 6.595 3.164 1.984 250 HG3 LYS 45 HG1 LYS 45 6.166 4.782 1.426 251 HD2 LYS 45 HD2 LYS 45 7.908 4.232 3.828 252 HD3 LYS 45 HD1 LYS 45 8.532 4.542 2.209 253 HE2 LYS 45 HE2 LYS 45 7.436 6.733 2.211 254 HE3 LYS 45 HE1 LYS 45 6.815 6.421 3.829 255 HZ1 LYS 45 HZ1 LYS 45 9.020 6.413 4.700 256 HZ2 LYS 45 HZ2 LYS 45 8.841 7.818 3.774 257 HZ3 LYS 45 HZ3 LYS 45 9.705 6.501 3.158 258 H ALA 46 HN ALA 46 2.336 5.105 3.810 259 HA ALA 46 HA ALA 46 1.928 4.019 6.337 260 HB1 ALA 46 HB1 ALA 46 1.260 6.280 5.762 261 HB2 ALA 46 HB2 ALA 46 -0.108 5.383 6.421 262 HB3 ALA 46 HB3 ALA 46 0.012 5.658 4.683 263 H TYR 47 HN TYR 47 -0.147 3.620 3.448 264 HA TYR 47 HA TYR 47 -1.878 1.754 4.706 265 HB2 TYR 47 HB2 TYR 47 -2.523 3.060 2.701 266 HB3 TYR 47 HB1 TYR 47 -1.363 2.142 1.748 267 HD1 TYR 47 HD1 TYR 47 -2.166 0.338 0.534 268 HD2 TYR 47 HD2 TYR 47 -4.252 1.538 4.043 269 HE1 TYR 47 HE1 TYR 47 -3.882 -1.365 0.092 270 HE2 TYR 47 HE2 TYR 47 -5.973 -0.165 3.607 271 HH TYR 47 HH TYR 47 -6.848 -1.513 1.890 272 H CYS 48 HN CYS 48 1.066 1.489 2.859 273 HA CYS 48 HA CYS 48 1.099 -1.254 2.337 274 HB2 CYS 48 HB2 CYS 48 2.677 0.192 1.259 275 HB3 CYS 48 HB1 CYS 48 3.298 0.764 2.798 276 HG CYS 48 HG CYS 48 3.745 -2.457 2.742 277 H GLU 49 HN GLU 49 2.377 0.581 5.108 278 HA GLU 49 HA GLU 49 3.265 -1.751 6.510 279 HB2 GLU 49 HB2 GLU 49 2.800 1.068 7.496 280 HB3 GLU 49 HB1 GLU 49 3.639 -0.193 8.386 281 HG2 GLU 49 HG2 GLU 49 5.392 -0.255 6.736 282 HG3 GLU 49 HG1 GLU 49 4.526 0.907 5.729 283 H ARG 50 HN ARG 50 0.379 0.228 6.518 284 HA ARG 50 HA ARG 50 -0.875 -0.581 8.849 285 HB2 ARG 50 HB2 ARG 50 -1.590 1.161 7.105 286 HB3 ARG 50 HB1 ARG 50 -2.345 -0.178 6.254 287 HG2 ARG 50 HG2 ARG 50 -4.133 0.519 7.450 288 HG3 ARG 50 HG1 ARG 50 -3.437 -0.570 8.648 289 HD2 ARG 50 HD2 ARG 50 -2.495 2.243 8.634 290 HD3 ARG 50 HD1 ARG 50 -4.121 1.927 9.235 291 HE ARG 50 HE ARG 50 -1.611 1.133 10.456 292 HH11 ARG 50 HH11 ARG 50 -5.116 0.802 10.342 293 HH12 ARG 50 HH12 ARG 50 -5.214 0.182 12.040 294 HH21 ARG 50 HH21 ARG 50 -3.297 -0.082 13.296 295 HH22 ARG 50 HH22 ARG 50 -1.695 0.359 12.596 296 H GLN 51 HN GLN 51 -1.227 -2.028 5.613 297 HA GLN 51 HA GLN 51 -2.735 -4.247 6.652 298 HB2 GLN 51 HB2 GLN 51 -1.610 -3.674 3.911 299 HB3 GLN 51 HB1 GLN 51 -2.610 -5.070 4.292 300 HG2 GLN 51 HG2 GLN 51 -3.445 -2.195 4.599 301 HG3 GLN 51 HG1 GLN 51 -3.881 -3.249 3.254 302 HE21 GLN 51 HE21 GLN 51 -5.329 -4.942 3.609 303 HE22 GLN 51 HE22 GLN 51 -6.360 -4.990 4.994 304 H GLY 52 HN GLY 52 0.561 -3.540 6.321 305 HA2 GLY 52 HA2 GLY 52 2.378 -4.811 6.975 306 HA3 GLY 52 HA1 GLY 52 1.282 -6.151 7.277 307 H LEU 53 HN LEU 53 2.145 -4.295 4.366 308 HA LEU 53 HA LEU 53 3.024 -6.813 3.114 309 HB2 LEU 53 HB2 LEU 53 1.374 -4.647 1.794 310 HB3 LEU 53 HB1 LEU 53 2.013 -6.069 0.994 311 HG LEU 53 HG LEU 53 0.039 -6.213 3.269 312 HD11 LEU 53 HD11 LEU 53 -1.681 -6.586 1.581 313 HD12 LEU 53 HD12 LEU 53 -0.500 -6.289 0.303 314 HD13 LEU 53 HD13 LEU 53 -0.953 -4.987 1.406 315 HD21 LEU 53 HD21 LEU 53 1.346 -8.234 2.906 316 HD22 LEU 53 HD22 LEU 53 0.915 -8.222 1.195 317 HD23 LEU 53 HD23 LEU 53 -0.332 -8.481 2.417 318 H SER 54 HN SER 54 4.244 -6.182 0.956 319 HA SER 54 HA SER 54 6.206 -4.167 1.727 320 HB2 SER 54 HB2 SER 54 7.131 -5.224 -0.620 321 HB3 SER 54 HB1 SER 54 7.492 -5.887 0.978 322 HG SER 54 HG SER 54 6.278 -7.101 -0.990 323 H MET 55 HN MET 55 6.779 -2.401 0.391 324 HA MET 55 HA MET 55 4.616 -1.203 -0.989 325 HB2 MET 55 HB2 MET 55 6.596 -0.061 0.210 326 HB3 MET 55 HB1 MET 55 7.480 -0.334 -1.286 327 HG2 MET 55 HG2 MET 55 5.843 0.968 -2.515 328 HG3 MET 55 HG1 MET 55 4.907 1.208 -1.042 329 HE1 MET 55 HE1 MET 55 7.839 2.376 -3.241 330 HE2 MET 55 HE2 MET 55 8.742 1.441 -2.048 331 HE3 MET 55 HE3 MET 55 8.915 3.196 -2.108 332 H ARG 56 HN ARG 56 7.262 -3.199 -1.996 333 HA ARG 56 HA ARG 56 6.944 -2.568 -4.794 334 HB2 ARG 56 HB2 ARG 56 9.127 -3.269 -3.679 335 HB3 ARG 56 HB1 ARG 56 8.476 -4.902 -3.643 336 HG2 ARG 56 HG2 ARG 56 8.400 -5.013 -6.016 337 HG3 ARG 56 HG1 ARG 56 8.755 -3.292 -6.168 338 HD2 ARG 56 HD2 ARG 56 10.975 -3.638 -5.260 339 HD3 ARG 56 HD1 ARG 56 10.620 -5.341 -4.980 340 HE ARG 56 HE ARG 56 10.766 -5.738 -7.287 341 HH11 ARG 56 HH11 ARG 56 12.136 -2.001 -8.045 342 HH12 ARG 56 HH12 ARG 56 11.322 -2.357 -6.477 343 HH21 ARG 56 HH21 ARG 56 12.383 -3.655 -9.619 344 HH22 ARG 56 HH22 ARG 56 11.789 -5.325 -9.285 345 H GLN 57 HN GLN 57 5.051 -4.198 -2.720 346 HA GLN 57 HA GLN 57 4.364 -6.367 -4.571 347 HB2 GLN 57 HB2 GLN 57 4.750 -6.834 -2.121 348 HB3 GLN 57 HB1 GLN 57 3.295 -5.912 -1.783 349 HG2 GLN 57 HG2 GLN 57 2.056 -7.507 -3.269 350 HG3 GLN 57 HG1 GLN 57 3.523 -8.482 -3.322 351 HE21 GLN 57 HE21 GLN 57 0.901 -9.162 -2.278 352 HE22 GLN 57 HE22 GLN 57 1.133 -9.575 -0.615 353 H ILE 58 HN ILE 58 3.207 -3.316 -3.405 354 HA ILE 58 HA ILE 58 0.632 -3.831 -4.744 355 HB ILE 58 HB ILE 58 -0.193 -1.855 -3.328 356 HG12 ILE 58 HG12 ILE 58 2.262 -2.655 -1.750 357 HG13 ILE 58 HG11 ILE 58 1.969 -1.092 -2.505 358 HG21 ILE 58 HG21 ILE 58 -0.986 -4.109 -3.009 359 HG22 ILE 58 HG22 ILE 58 -0.712 -3.362 -1.435 360 HG23 ILE 58 HG23 ILE 58 0.453 -4.519 -2.076 361 HD11 ILE 58 HD11 ILE 58 0.486 -2.291 -0.179 362 HD12 ILE 58 HD12 ILE 58 0.026 -0.794 -0.989 363 HD13 ILE 58 HD13 ILE 58 1.576 -0.906 -0.157 364 H ARG 59 HN ARG 59 -0.343 -2.108 -5.897 365 HA ARG 59 HA ARG 59 1.538 -0.030 -6.824 366 HB2 ARG 59 HB2 ARG 59 -0.490 -1.497 -8.530 367 HB3 ARG 59 HB1 ARG 59 0.624 -0.254 -9.078 368 HG2 ARG 59 HG2 ARG 59 1.465 -2.917 -7.965 369 HG3 ARG 59 HG1 ARG 59 1.299 -2.554 -9.684 370 HD2 ARG 59 HD2 ARG 59 3.025 -0.897 -9.563 371 HD3 ARG 59 HD1 ARG 59 3.096 -1.028 -7.807 372 HE ARG 59 HE ARG 59 3.967 -3.116 -9.700 373 HH11 ARG 59 HH11 ARG 59 5.441 -2.576 -5.965 374 HH12 ARG 59 HH12 ARG 59 4.037 -1.598 -6.521 375 HH21 ARG 59 HH21 ARG 59 5.706 -4.409 -9.022 376 HH22 ARG 59 HH22 ARG 59 6.335 -4.213 -7.340 377 H PHE 60 HN PHE 60 0.771 1.966 -6.536 378 HA PHE 60 HA PHE 60 -2.061 2.293 -5.888 379 HB2 PHE 60 HB2 PHE 60 0.377 4.008 -5.475 380 HB3 PHE 60 HB1 PHE 60 -1.240 4.684 -5.329 381 HD1 PHE 60 HD1 PHE 60 0.797 1.822 -4.081 382 HD2 PHE 60 HD2 PHE 60 -2.267 4.665 -3.275 383 HE1 PHE 60 HE1 PHE 60 0.692 1.039 -1.758 384 HE2 PHE 60 HE2 PHE 60 -2.380 3.882 -0.941 385 HZ PHE 60 HZ PHE 60 -0.899 2.068 -0.183 386 H ARG 61 HN ARG 61 -3.475 3.139 -7.260 387 HA ARG 61 HA ARG 61 -2.426 4.630 -9.576 388 HB2 ARG 61 HB2 ARG 61 -4.579 2.538 -9.455 389 HB3 ARG 61 HB1 ARG 61 -4.529 3.720 -10.756 390 HG2 ARG 61 HG2 ARG 61 -2.110 2.927 -11.105 391 HG3 ARG 61 HG1 ARG 61 -2.585 1.539 -10.120 392 HD2 ARG 61 HD2 ARG 61 -4.521 1.225 -11.690 393 HD3 ARG 61 HD1 ARG 61 -3.787 2.444 -12.726 394 HE ARG 61 HE ARG 61 -2.717 -0.230 -12.159 395 HH11 ARG 61 HH11 ARG 61 -1.507 2.119 -15.232 396 HH12 ARG 61 HH12 ARG 61 -2.646 2.778 -13.996 397 HH21 ARG 61 HH21 ARG 61 -1.276 -1.091 -13.723 398 HH22 ARG 61 HH22 ARG 61 -0.743 -0.031 -15.079 399 H PHE 62 HN PHE 62 -3.196 6.572 -9.865 400 HA PHE 62 HA PHE 62 -5.656 7.353 -8.446 401 HB2 PHE 62 HB2 PHE 62 -3.761 8.585 -7.576 402 HB3 PHE 62 HB1 PHE 62 -3.224 8.993 -9.203 403 HD1 PHE 62 HD1 PHE 62 -6.120 9.430 -6.911 404 HD2 PHE 62 HD2 PHE 62 -3.840 11.018 -10.130 405 HE1 PHE 62 HE1 PHE 62 -7.448 11.499 -6.825 406 HE2 PHE 62 HE2 PHE 62 -5.160 13.093 -10.052 407 HZ PHE 62 HZ PHE 62 -6.969 13.334 -8.398 408 H ASP 63 HN ASP 63 -7.278 7.367 -9.851 409 HA ASP 63 HA ASP 63 -8.526 7.698 -11.714 410 HB2 ASP 63 HB2 ASP 63 -7.652 10.077 -11.235 411 HB3 ASP 63 HB1 ASP 63 -6.545 9.803 -12.577 412 H GLY 64 HN GLY 64 -6.570 5.696 -11.758 413 HA2 GLY 64 HA2 GLY 64 -6.106 4.112 -13.417 414 HA3 GLY 64 HA1 GLY 64 -6.292 5.362 -14.637 415 H GLN 65 HN GLN 65 -4.458 7.203 -13.241 416 HA GLN 65 HA GLN 65 -2.028 6.182 -14.416 417 HB2 GLN 65 HB2 GLN 65 -2.489 8.789 -12.964 418 HB3 GLN 65 HB1 GLN 65 -1.117 8.393 -13.988 419 HG2 GLN 65 HG2 GLN 65 -3.977 8.669 -14.876 420 HG3 GLN 65 HG1 GLN 65 -2.680 9.827 -15.154 421 HE21 GLN 65 HE21 GLN 65 -1.086 9.352 -16.668 422 HE22 GLN 65 HE22 GLN 65 -1.297 8.119 -17.864 423 HA PRO 66 HA PRO 66 -0.367 4.547 -10.624 424 HB2 PRO 66 HB2 PRO 66 2.275 4.820 -11.883 425 HB3 PRO 66 HB1 PRO 66 1.424 3.357 -11.373 426 HG2 PRO 66 HG2 PRO 66 1.773 3.955 -13.967 427 HG3 PRO 66 HG1 PRO 66 0.328 3.114 -13.373 428 HD2 PRO 66 HD2 PRO 66 0.660 5.984 -14.134 429 HD3 PRO 66 HD1 PRO 66 -0.702 4.883 -14.427 430 H ILE 67 HN ILE 67 0.426 5.418 -8.787 431 HA ILE 67 HA ILE 67 1.211 8.210 -8.836 432 HB ILE 67 HB ILE 67 0.872 6.352 -6.471 433 HG12 ILE 67 HG12 ILE 67 -1.031 8.369 -7.689 434 HG13 ILE 67 HG11 ILE 67 -1.218 6.618 -7.711 435 HG21 ILE 67 HG21 ILE 67 1.077 9.358 -6.600 436 HG22 ILE 67 HG22 ILE 67 2.301 8.253 -5.967 437 HG23 ILE 67 HG23 ILE 67 0.744 8.411 -5.150 438 HD11 ILE 67 HD11 ILE 67 -1.407 8.472 -5.361 439 HD12 ILE 67 HD12 ILE 67 -1.278 6.722 -5.196 440 HD13 ILE 67 HD13 ILE 67 -2.654 7.428 -6.037 441 H ASN 68 HN ASN 68 3.229 8.962 -8.668 442 HA ASN 68 HA ASN 68 5.406 7.036 -8.361 443 HB2 ASN 68 HB2 ASN 68 5.496 9.974 -9.097 444 HB3 ASN 68 HB1 ASN 68 6.861 8.862 -9.128 445 HD21 ASN 68 HD21 ASN 68 3.849 9.759 -10.634 446 HD22 ASN 68 HD22 ASN 68 4.127 8.916 -12.128 447 H GLU 69 HN GLU 69 7.298 7.708 -7.029 448 HA GLU 69 HA GLU 69 6.445 8.350 -4.379 449 HB2 GLU 69 HB2 GLU 69 9.239 8.019 -5.493 450 HB3 GLU 69 HB1 GLU 69 8.813 8.058 -3.787 451 HG2 GLU 69 HG2 GLU 69 7.768 5.976 -3.875 452 HG3 GLU 69 HG1 GLU 69 7.625 6.024 -5.632 453 H THR 70 HN THR 70 7.215 10.224 -7.012 454 HA THR 70 HA THR 70 8.159 12.486 -5.399 455 HB THR 70 HB THR 70 8.040 13.040 -8.217 456 HG1 THR 70 HG1 THR 70 9.668 11.384 -8.772 457 HG21 THR 70 HG21 THR 70 9.518 14.135 -6.570 458 HG22 THR 70 HG22 THR 70 10.420 13.467 -7.930 459 HG23 THR 70 HG23 THR 70 10.405 12.623 -6.382 460 H ASP 71 HN ASP 71 5.300 11.235 -6.247 461 HA ASP 71 HA ASP 71 4.068 13.651 -7.286 462 HB2 ASP 71 HB2 ASP 71 3.178 10.832 -6.903 463 HB3 ASP 71 HB1 ASP 71 1.952 12.095 -6.965 464 H THR 72 HN THR 72 2.296 14.665 -6.331 465 HA THR 72 HA THR 72 1.847 14.238 -3.479 466 HB THR 72 HB THR 72 1.846 16.925 -3.468 467 HG1 THR 72 HG1 THR 72 4.033 16.317 -5.180 468 HG21 THR 72 HG21 THR 72 4.281 15.181 -3.104 469 HG22 THR 72 HG22 THR 72 3.073 15.578 -1.882 470 HG23 THR 72 HG23 THR 72 4.129 16.837 -2.519 471 HA PRO 73 HA PRO 73 -2.409 14.952 -4.448 472 HB2 PRO 73 HB2 PRO 73 -2.515 16.981 -2.276 473 HB3 PRO 73 HB1 PRO 73 -3.497 15.528 -2.508 474 HG2 PRO 73 HG2 PRO 73 -1.614 15.584 -0.643 475 HG3 PRO 73 HG1 PRO 73 -1.901 14.121 -1.608 476 HD2 PRO 73 HD2 PRO 73 0.290 16.134 -1.843 477 HD3 PRO 73 HD1 PRO 73 0.346 14.372 -2.048 478 H ALA 74 HN ALA 74 -0.653 17.933 -3.636 479 HA ALA 74 HA ALA 74 -2.333 19.661 -5.119 480 HB1 ALA 74 HB1 ALA 74 -0.586 21.329 -4.779 481 HB2 ALA 74 HB2 ALA 74 0.522 20.072 -4.237 482 HB3 ALA 74 HB3 ALA 74 -0.914 20.448 -3.289 483 H GLN 75 HN GLN 75 0.405 17.692 -5.965 484 HA GLN 75 HA GLN 75 0.992 19.044 -8.431 485 HB2 GLN 75 HB2 GLN 75 2.719 17.798 -7.214 486 HB3 GLN 75 HB1 GLN 75 1.819 16.306 -7.442 487 HG2 GLN 75 HG2 GLN 75 3.697 16.493 -8.989 488 HG3 GLN 75 HG1 GLN 75 2.152 16.437 -9.836 489 HE21 GLN 75 HE21 GLN 75 1.447 18.220 -10.959 490 HE22 GLN 75 HE22 GLN 75 2.456 19.588 -11.277 491 H LEU 76 HN LEU 76 -0.565 15.966 -7.577 492 HA LEU 76 HA LEU 76 -1.314 15.407 -10.293 493 HB2 LEU 76 HB2 LEU 76 -1.652 14.112 -7.650 494 HB3 LEU 76 HB1 LEU 76 -2.839 13.711 -8.877 495 HG LEU 76 HG LEU 76 0.133 13.428 -9.314 496 HD11 LEU 76 HD11 LEU 76 -1.858 11.357 -8.402 497 HD12 LEU 76 HD12 LEU 76 -0.508 11.999 -7.465 498 HD13 LEU 76 HD13 LEU 76 -0.199 11.032 -8.906 499 HD21 LEU 76 HD21 LEU 76 -1.188 13.577 -11.346 500 HD22 LEU 76 HD22 LEU 76 -2.269 12.316 -10.758 501 HD23 LEU 76 HD23 LEU 76 -0.587 11.935 -11.123 502 H GLU 77 HN GLU 77 -2.436 17.668 -8.275 503 HA GLU 77 HA GLU 77 -4.331 18.884 -8.059 504 HB2 GLU 77 HB2 GLU 77 -4.630 17.719 -10.801 505 HB3 GLU 77 HB1 GLU 77 -5.960 18.632 -10.101 506 HG2 GLU 77 HG2 GLU 77 -3.153 19.672 -10.408 507 HG3 GLU 77 HG1 GLU 77 -4.466 19.978 -11.542 508 H MET 78 HN MET 78 -4.342 16.745 -6.540 509 HA MET 78 HA MET 78 -6.768 15.203 -6.903 510 HB2 MET 78 HB2 MET 78 -4.883 15.238 -4.540 511 HB3 MET 78 HB1 MET 78 -6.089 14.013 -4.912 512 HG2 MET 78 HG2 MET 78 -4.864 13.288 -6.825 513 HG3 MET 78 HG1 MET 78 -3.730 14.627 -6.669 514 HE1 MET 78 HE1 MET 78 -4.904 11.174 -5.329 515 HE2 MET 78 HE2 MET 78 -5.267 12.203 -3.943 516 HE3 MET 78 HE3 MET 78 -3.978 11.002 -3.838 517 H GLU 79 HN GLU 79 -8.678 15.772 -6.121 518 HA GLU 79 HA GLU 79 -8.792 18.096 -4.357 519 HB2 GLU 79 HB2 GLU 79 -10.414 17.117 -6.511 520 HB3 GLU 79 HB1 GLU 79 -11.399 17.256 -5.058 521 HG2 GLU 79 HG2 GLU 79 -9.809 19.411 -6.423 522 HG3 GLU 79 HG1 GLU 79 -11.558 19.317 -6.216 523 H ASP 80 HN ASP 80 -10.817 17.953 -2.820 524 HA ASP 80 HA ASP 80 -10.170 15.952 -0.921 525 HB2 ASP 80 HB2 ASP 80 -11.022 18.139 -0.235 526 HB3 ASP 80 HB1 ASP 80 -12.559 17.802 -1.025 527 H GLU 81 HN GLU 81 -11.205 14.122 -0.334 528 HA GLU 81 HA GLU 81 -12.483 12.271 -0.464 529 HB2 GLU 81 HB2 GLU 81 -14.352 14.159 -1.878 530 HB3 GLU 81 HB1 GLU 81 -14.748 12.464 -1.621 531 HG2 GLU 81 HG2 GLU 81 -14.278 12.927 0.856 532 HG3 GLU 81 HG1 GLU 81 -14.367 14.633 0.418 533 H ASP 82 HN ASP 82 -10.474 12.989 -2.529 534 HA ASP 82 HA ASP 82 -11.409 11.795 -4.979 535 HB2 ASP 82 HB2 ASP 82 -9.216 13.383 -4.274 536 HB3 ASP 82 HB1 ASP 82 -8.511 11.817 -4.668 537 H THR 83 HN THR 83 -10.998 9.712 -5.715 538 HA THR 83 HA THR 83 -10.374 7.797 -3.598 539 HB THR 83 HB THR 83 -11.481 7.147 -6.324 540 HG1 THR 83 HG1 THR 83 -12.913 8.612 -5.423 541 HG21 THR 83 HG21 THR 83 -12.385 5.187 -5.196 542 HG22 THR 83 HG22 THR 83 -11.728 5.745 -3.658 543 HG23 THR 83 HG23 THR 83 -10.639 5.267 -4.961 544 H ILE 84 HN ILE 84 -8.846 6.224 -3.735 545 HA ILE 84 HA ILE 84 -7.011 6.279 -6.044 546 HB ILE 84 HB ILE 84 -6.197 5.921 -3.148 547 HG12 ILE 84 HG12 ILE 84 -5.640 8.260 -4.982 548 HG13 ILE 84 HG11 ILE 84 -6.872 8.260 -3.726 549 HG21 ILE 84 HG21 ILE 84 -3.902 6.056 -4.028 550 HG22 ILE 84 HG22 ILE 84 -4.554 6.090 -5.669 551 HG23 ILE 84 HG23 ILE 84 -4.788 4.664 -4.653 552 HD11 ILE 84 HD11 ILE 84 -3.902 8.002 -3.322 553 HD12 ILE 84 HD12 ILE 84 -5.115 7.925 -2.044 554 HD13 ILE 84 HD13 ILE 84 -4.902 9.410 -2.967 555 H ASP 85 HN ASP 85 -6.552 4.292 -6.876 556 HA ASP 85 HA ASP 85 -7.770 1.980 -5.534 557 HB2 ASP 85 HB2 ASP 85 -7.976 2.785 -8.126 558 HB3 ASP 85 HB1 ASP 85 -6.651 1.632 -8.245 559 H VAL 86 HN VAL 86 -6.597 0.243 -4.882 560 HA VAL 86 HA VAL 86 -3.684 0.382 -5.313 561 HB VAL 86 HB VAL 86 -5.048 -0.845 -2.913 562 HG11 VAL 86 HG11 VAL 86 -2.794 -0.851 -1.956 563 HG12 VAL 86 HG12 VAL 86 -2.154 -0.185 -3.457 564 HG13 VAL 86 HG13 VAL 86 -2.864 -1.797 -3.440 565 HG21 VAL 86 HG21 VAL 86 -4.250 1.111 -1.660 566 HG22 VAL 86 HG22 VAL 86 -5.418 1.557 -2.903 567 HG23 VAL 86 HG23 VAL 86 -3.698 1.841 -3.166 568 H PHE 87 HN PHE 87 -3.158 -1.089 -6.770 569 HA PHE 87 HA PHE 87 -4.563 -3.664 -6.804 570 HB2 PHE 87 HB2 PHE 87 -2.728 -2.345 -8.818 571 HB3 PHE 87 HB1 PHE 87 -3.368 -3.976 -8.998 572 HD1 PHE 87 HD1 PHE 87 -5.832 -4.301 -9.215 573 HD2 PHE 87 HD2 PHE 87 -4.014 -0.455 -9.390 574 HE1 PHE 87 HE1 PHE 87 -7.853 -3.397 -10.285 575 HE2 PHE 87 HE2 PHE 87 -6.036 0.455 -10.458 576 HZ PHE 87 HZ PHE 87 -7.957 -1.018 -10.908 577 H GLN 88 HN GLN 88 -3.122 -5.600 -7.298 578 HA GLN 88 HA GLN 88 -0.688 -5.379 -5.660 579 HB2 GLN 88 HB2 GLN 88 -2.574 -7.699 -6.073 580 HB3 GLN 88 HB1 GLN 88 -0.981 -7.885 -5.353 581 HG2 GLN 88 HG2 GLN 88 -1.656 -6.213 -3.625 582 HG3 GLN 88 HG1 GLN 88 -3.286 -6.275 -4.290 583 HE21 GLN 88 HE21 GLN 88 -4.113 -7.050 -2.347 584 HE22 GLN 88 HE22 GLN 88 -3.859 -8.673 -1.818 585 H GLN 89 HN GLN 89 1.210 -6.283 -6.380 586 HA GLN 89 HA GLN 89 1.565 -6.383 -9.196 587 HB2 GLN 89 HB2 GLN 89 3.373 -5.634 -7.742 588 HB3 GLN 89 HB1 GLN 89 3.420 -7.202 -6.946 589 HG2 GLN 89 HG2 GLN 89 5.243 -7.056 -8.487 590 HG3 GLN 89 HG1 GLN 89 4.079 -8.231 -9.097 591 HE21 GLN 89 HE21 GLN 89 4.223 -8.130 -11.230 592 HE22 GLN 89 HE22 GLN 89 4.111 -6.684 -12.178 593 H GLN 90 HN GLN 90 1.493 -8.036 -10.565 594 HA GLN 90 HA GLN 90 0.466 -10.550 -9.754 595 HB2 GLN 90 HB2 GLN 90 1.646 -9.602 -12.370 596 HB3 GLN 90 HB1 GLN 90 0.958 -11.202 -12.148 597 HG2 GLN 90 HG2 GLN 90 -0.717 -9.900 -13.159 598 HG3 GLN 90 HG1 GLN 90 -1.183 -10.068 -11.469 599 HE21 GLN 90 HE21 GLN 90 -2.483 -8.231 -11.582 600 HE22 GLN 90 HE22 GLN 90 -1.813 -6.638 -11.630 601 H THR 91 HN THR 91 1.465 -12.417 -9.291 602 HA THR 91 HA THR 91 4.268 -12.383 -8.739 603 HB THR 91 HB THR 91 2.956 -15.010 -8.758 604 HG1 THR 91 HG1 THR 91 1.787 -14.118 -6.707 605 HG21 THR 91 HG21 THR 91 4.331 -13.339 -6.649 606 HG22 THR 91 HG22 THR 91 5.048 -14.641 -7.600 607 HG23 THR 91 HG23 THR 91 3.789 -15.001 -6.416 608 H GLY 92 HN GLY 92 2.208 -13.791 -11.213 609 HA2 GLY 92 HA2 GLY 92 3.744 -13.785 -13.367 610 HA3 GLY 92 HA1 GLY 92 4.465 -15.125 -12.482 611 H ASN 357 HT1 ASN 357 -19.422 -3.523 7.388 612 HA ASN 357 HA ASN 357 -18.085 -2.228 5.097 613 HB2 ASN 357 HB2 ASN 357 -20.014 -0.900 5.952 614 HB3 ASN 357 HB1 ASN 357 -19.300 -0.945 7.561 615 HD21 ASN 357 HD21 ASN 357 -18.966 1.238 7.765 616 HD22 ASN 357 HD22 ASN 357 -17.844 2.129 6.796 617 H ASN 358 HN ASN 358 -15.972 -2.221 5.315 618 HA ASN 358 HA ASN 358 -14.869 -2.506 8.033 619 HB2 ASN 358 HB2 ASN 358 -14.397 -4.456 6.584 620 HB3 ASN 358 HB1 ASN 358 -13.665 -3.390 5.389 621 HD21 ASN 358 HD21 ASN 358 -11.630 -4.202 5.434 622 HD22 ASN 358 HD22 ASN 358 -10.593 -4.128 6.817 623 H ARG 359 HN ARG 359 -13.866 -0.773 8.732 624 HA ARG 359 HA ARG 359 -12.700 1.049 6.755 625 HB2 ARG 359 HB2 ARG 359 -13.312 2.959 8.191 626 HB3 ARG 359 HB1 ARG 359 -14.711 2.102 7.563 627 HG2 ARG 359 HG2 ARG 359 -15.062 1.037 9.691 628 HG3 ARG 359 HG1 ARG 359 -13.578 1.750 10.323 629 HD2 ARG 359 HD2 ARG 359 -14.499 3.974 10.082 630 HD3 ARG 359 HD1 ARG 359 -15.956 3.317 9.342 631 HE ARG 359 HE ARG 359 -15.569 2.183 11.894 632 HH11 ARG 359 HH11 ARG 359 -17.541 5.719 11.683 633 HH12 ARG 359 HH12 ARG 359 -16.490 5.191 10.316 634 HH21 ARG 359 HH21 ARG 359 -16.892 2.818 13.648 635 HH22 ARG 359 HH22 ARG 359 -17.765 4.389 13.542 636 H ASP 360 HN ASP 360 -10.711 1.609 7.049 637 HA ASP 360 HA ASP 360 -9.446 1.030 9.640 638 HB2 ASP 360 HB2 ASP 360 -8.763 -0.400 7.567 639 HB3 ASP 360 HB1 ASP 360 -7.924 1.051 7.043 640 HA PRO 361 HA PRO 361 -8.551 5.347 9.043 641 HB2 PRO 361 HB2 PRO 361 -8.192 5.960 11.627 642 HB3 PRO 361 HB1 PRO 361 -9.777 5.469 11.013 643 HG2 PRO 361 HG2 PRO 361 -7.966 4.004 12.778 644 HG3 PRO 361 HG1 PRO 361 -9.683 3.725 12.451 645 HD2 PRO 361 HD2 PRO 361 -7.354 2.397 11.273 646 HD3 PRO 361 HD1 PRO 361 -9.075 1.945 11.189 647 H ILE 362 HN ILE 362 -6.785 6.296 8.391 648 HA ILE 362 HA ILE 362 -4.234 5.647 9.682 649 HB ILE 362 HB ILE 362 -4.535 6.397 6.770 650 HG12 ILE 362 HG12 ILE 362 -4.266 3.669 8.055 651 HG13 ILE 362 HG11 ILE 362 -5.616 4.246 7.087 652 HG21 ILE 362 HG21 ILE 362 -2.230 5.603 6.604 653 HG22 ILE 362 HG22 ILE 362 -2.216 5.253 8.332 654 HG23 ILE 362 HG23 ILE 362 -2.364 6.920 7.770 655 HD11 ILE 362 HD11 ILE 362 -2.844 3.983 5.965 656 HD12 ILE 362 HD12 ILE 362 -4.374 4.121 5.097 657 HD13 ILE 362 HD13 ILE 362 -3.992 2.643 5.983 658 H VAL 363 HN VAL 363 -3.064 7.277 10.370 659 HA VAL 363 HA VAL 363 -3.920 10.022 9.697 660 HB VAL 363 HB VAL 363 -2.569 9.109 12.261 661 HG11 VAL 363 HG11 VAL 363 -3.246 11.374 13.058 662 HG12 VAL 363 HG12 VAL 363 -3.731 11.763 11.408 663 HG13 VAL 363 HG13 VAL 363 -2.041 11.402 11.770 664 HG21 VAL 363 HG21 VAL 363 -4.879 9.798 13.214 665 HG22 VAL 363 HG22 VAL 363 -4.686 8.208 12.482 666 HG23 VAL 363 HG23 VAL 363 -5.447 9.508 11.570 667 H ILE 364 HN ILE 364 -2.418 11.344 9.015 668 HA ILE 364 HA ILE 364 0.215 10.183 8.531 669 HB ILE 364 HB ILE 364 -1.509 11.016 6.616 670 HG12 ILE 364 HG12 ILE 364 0.559 11.231 5.166 671 HG13 ILE 364 HG11 ILE 364 1.511 11.061 6.637 672 HG21 ILE 364 HG21 ILE 364 -0.716 13.146 5.720 673 HG22 ILE 364 HG22 ILE 364 0.324 13.357 7.124 674 HG23 ILE 364 HG23 ILE 364 -1.430 13.355 7.319 675 HD11 ILE 364 HD11 ILE 364 0.367 8.872 7.015 676 HD12 ILE 364 HD12 ILE 364 1.407 8.941 5.593 677 HD13 ILE 364 HD13 ILE 364 -0.342 9.045 5.410 678 H SEP 365 HN SEP 365 1.989 11.362 8.847 679 HA SEP 365 HA SEP 365 1.665 13.613 10.691 680 HB2 SEP 365 HB1 SEP 365 2.940 11.954 11.747 681 HB3 SEP 365 HB2 SEP 365 4.211 12.924 10.991 682 H ASP 366 HN ASP 366 2.281 15.549 10.014 683 HA ASP 366 HA ASP 366 3.735 15.739 7.465 684 HB2 ASP 366 HB2 ASP 366 1.333 16.437 7.452 685 HB3 ASP 366 HB1 ASP 366 1.725 17.671 8.644 686 H SEP 367 HN SEP 367 5.609 16.684 7.546 687 HA SEP 367 HA SEP 367 6.556 17.853 9.983 688 HB2 SEP 367 HB1 SEP 367 8.705 17.874 8.823 689 HB3 SEP 367 HB2 SEP 367 7.900 17.493 7.302 690 HA PRO 368 HA PRO 368 5.503 22.019 8.740 691 HB2 PRO 368 HB2 PRO 368 7.191 22.848 10.988 692 HB3 PRO 368 HB1 PRO 368 5.453 23.072 10.757 693 HG2 PRO 368 HG2 PRO 368 6.390 21.379 12.597 694 HG3 PRO 368 HG1 PRO 368 4.913 21.037 11.674 695 HD2 PRO 368 HD2 PRO 368 7.682 19.975 11.247 696 HD3 PRO 368 HD1 PRO 368 6.127 19.113 11.233 Start of MODEL 2 1 H ASP 16 HT1 ASP 16 -4.466 23.251 4.693 2 HA ASP 16 HA ASP 16 -5.925 22.598 7.172 3 HB2 ASP 16 HB2 ASP 16 -6.915 23.759 4.680 4 HB3 ASP 16 HB1 ASP 16 -7.701 22.234 5.083 5 H HIS 17 HN HIS 17 -7.018 20.481 6.910 6 HA HIS 17 HA HIS 17 -5.184 18.640 5.574 7 HB2 HIS 17 HB2 HIS 17 -7.314 18.204 7.674 8 HB3 HIS 17 HB1 HIS 17 -6.377 16.904 6.944 9 HD2 HIS 17 HD2 HIS 17 -3.657 16.837 7.659 10 HE1 HIS 17 HE1 HIS 17 -4.155 19.519 10.894 11 HE2 HIS 17 HE2 HIS 17 -2.678 17.716 9.898 12 H ILE 18 HN ILE 18 -5.855 17.067 4.155 13 HA ILE 18 HA ILE 18 -8.500 17.530 2.947 14 HB ILE 18 HB ILE 18 -6.578 18.030 1.472 15 HG12 ILE 18 HG12 ILE 18 -8.073 15.572 0.549 16 HG13 ILE 18 HG11 ILE 18 -8.748 17.199 0.556 17 HG21 ILE 18 HG21 ILE 18 -5.923 15.108 1.779 18 HG22 ILE 18 HG22 ILE 18 -4.957 16.472 2.346 19 HG23 ILE 18 HG23 ILE 18 -5.178 16.208 0.615 20 HD11 ILE 18 HD11 ILE 18 -6.375 16.257 -1.036 21 HD12 ILE 18 HD12 ILE 18 -6.975 17.913 -0.990 22 HD13 ILE 18 HD13 ILE 18 -7.982 16.628 -1.656 23 H ASN 19 HN ASN 19 -9.893 15.833 2.726 24 HA ASN 19 HA ASN 19 -9.122 13.390 4.130 25 HB2 ASN 19 HB2 ASN 19 -11.688 14.735 3.513 26 HB3 ASN 19 HB1 ASN 19 -11.719 12.973 3.546 27 HD21 ASN 19 HD21 ASN 19 -11.432 15.861 5.392 28 HD22 ASN 19 HD22 ASN 19 -11.418 15.120 6.954 29 H LEU 20 HN LEU 20 -7.876 12.295 2.691 30 HA LEU 20 HA LEU 20 -8.997 11.681 0.061 31 HB2 LEU 20 HB2 LEU 20 -6.280 11.178 1.279 32 HB3 LEU 20 HB1 LEU 20 -6.758 10.567 -0.295 33 HG LEU 20 HG LEU 20 -6.569 13.482 0.477 34 HD11 LEU 20 HD11 LEU 20 -4.831 11.832 -1.355 35 HD12 LEU 20 HD12 LEU 20 -4.391 12.361 0.269 36 HD13 LEU 20 HD13 LEU 20 -4.653 13.550 -1.005 37 HD21 LEU 20 HD21 LEU 20 -6.854 13.823 -1.989 38 HD22 LEU 20 HD22 LEU 20 -8.293 13.250 -1.146 39 HD23 LEU 20 HD23 LEU 20 -7.326 12.129 -2.106 40 H LYS 21 HN LYS 21 -9.589 9.628 -0.540 41 HA LYS 21 HA LYS 21 -9.564 7.631 1.624 42 HB2 LYS 21 HB2 LYS 21 -11.716 8.305 -0.369 43 HB3 LYS 21 HB1 LYS 21 -11.673 6.752 0.453 44 HG2 LYS 21 HG2 LYS 21 -12.004 7.743 2.564 45 HG3 LYS 21 HG1 LYS 21 -11.678 9.362 1.939 46 HD2 LYS 21 HD2 LYS 21 -13.709 9.348 0.664 47 HD3 LYS 21 HD1 LYS 21 -13.998 7.652 1.057 48 HE2 LYS 21 HE2 LYS 21 -14.565 8.125 3.260 49 HE3 LYS 21 HE1 LYS 21 -13.753 9.691 3.233 50 HZ1 LYS 21 HZ1 LYS 21 -15.475 10.660 2.050 51 HZ2 LYS 21 HZ2 LYS 21 -16.295 9.638 3.124 52 HZ3 LYS 21 HZ3 LYS 21 -16.091 9.176 1.512 53 H VAL 22 HN VAL 22 -8.600 5.786 1.179 54 HA VAL 22 HA VAL 22 -8.051 5.158 -1.647 55 HB VAL 22 HB VAL 22 -6.495 4.171 0.754 56 HG11 VAL 22 HG11 VAL 22 -6.318 2.702 -1.144 57 HG12 VAL 22 HG12 VAL 22 -4.802 3.582 -0.938 58 HG13 VAL 22 HG13 VAL 22 -5.936 4.061 -2.201 59 HG21 VAL 22 HG21 VAL 22 -4.737 5.760 0.029 60 HG22 VAL 22 HG22 VAL 22 -6.197 6.553 0.624 61 HG23 VAL 22 HG23 VAL 22 -5.888 6.457 -1.110 62 H ALA 23 HN ALA 23 -8.631 3.147 -2.403 63 HA ALA 23 HA ALA 23 -10.006 1.407 -0.464 64 HB1 ALA 23 HB1 ALA 23 -11.674 0.883 -2.134 65 HB2 ALA 23 HB2 ALA 23 -10.858 1.913 -3.309 66 HB3 ALA 23 HB3 ALA 23 -11.607 2.627 -1.882 67 H GLY 24 HN GLY 24 -9.351 -0.626 -0.407 68 HA2 GLY 24 HA2 GLY 24 -7.390 -1.527 -2.372 69 HA3 GLY 24 HA1 GLY 24 -7.804 -2.336 -0.863 70 H GLN 25 HN GLN 25 -7.602 -3.913 -3.031 71 HA GLN 25 HA GLN 25 -9.952 -4.203 -4.563 72 HB2 GLN 25 HB2 GLN 25 -7.825 -6.231 -3.848 73 HB3 GLN 25 HB1 GLN 25 -9.093 -6.504 -5.035 74 HG2 GLN 25 HG2 GLN 25 -6.919 -4.421 -5.177 75 HG3 GLN 25 HG1 GLN 25 -7.030 -5.900 -6.129 76 HE21 GLN 25 HE21 GLN 25 -8.149 -2.665 -5.735 77 HE22 GLN 25 HE22 GLN 25 -9.084 -2.580 -7.186 78 H ASP 26 HN ASP 26 -9.135 -5.180 -1.352 79 HA ASP 26 HA ASP 26 -11.255 -7.134 -1.128 80 HB2 ASP 26 HB2 ASP 26 -10.531 -7.391 1.169 81 HB3 ASP 26 HB1 ASP 26 -9.112 -7.351 0.127 82 H GLY 27 HN GLY 27 -11.297 -3.873 -1.307 83 HA2 GLY 27 HA2 GLY 27 -13.111 -2.459 -0.967 84 HA3 GLY 27 HA1 GLY 27 -13.897 -3.732 -0.045 85 H SER 28 HN SER 28 -10.661 -2.580 0.607 86 HA SER 28 HA SER 28 -11.428 -1.907 3.314 87 HB2 SER 28 HB2 SER 28 -8.836 -1.233 3.222 88 HB3 SER 28 HB1 SER 28 -9.354 -2.908 3.376 89 HG SER 28 HG SER 28 -8.587 -3.319 1.449 90 H VAL 29 HN VAL 29 -12.403 0.006 3.597 91 HA VAL 29 HA VAL 29 -11.634 2.297 1.978 92 HB VAL 29 HB VAL 29 -13.777 1.971 4.093 93 HG11 VAL 29 HG11 VAL 29 -13.125 4.245 4.192 94 HG12 VAL 29 HG12 VAL 29 -14.599 4.188 3.223 95 HG13 VAL 29 HG13 VAL 29 -13.029 4.370 2.437 96 HG21 VAL 29 HG21 VAL 29 -15.324 2.171 2.199 97 HG22 VAL 29 HG22 VAL 29 -14.256 0.778 2.033 98 HG23 VAL 29 HG23 VAL 29 -13.950 2.240 1.094 99 H VAL 30 HN VAL 30 -9.705 3.128 2.636 100 HA VAL 30 HA VAL 30 -9.328 3.512 5.521 101 HB VAL 30 HB VAL 30 -6.956 4.097 4.939 102 HG11 VAL 30 HG11 VAL 30 -6.635 2.031 5.634 103 HG12 VAL 30 HG12 VAL 30 -6.813 1.472 3.968 104 HG13 VAL 30 HG13 VAL 30 -8.220 1.541 5.026 105 HG21 VAL 30 HG21 VAL 30 -6.063 3.403 2.798 106 HG22 VAL 30 HG22 VAL 30 -7.287 4.653 2.589 107 HG23 VAL 30 HG23 VAL 30 -7.681 2.969 2.245 108 H GLN 31 HN GLN 31 -9.459 5.416 6.409 109 HA GLN 31 HA GLN 31 -9.871 7.762 4.731 110 HB2 GLN 31 HB2 GLN 31 -11.356 7.252 6.711 111 HB3 GLN 31 HB1 GLN 31 -9.971 7.558 7.750 112 HG2 GLN 31 HG2 GLN 31 -9.872 9.849 6.587 113 HG3 GLN 31 HG1 GLN 31 -11.517 9.482 6.062 114 HE21 GLN 31 HE21 GLN 31 -10.697 11.606 7.779 115 HE22 GLN 31 HE22 GLN 31 -11.458 11.351 9.312 116 H PHE 32 HN PHE 32 -8.158 8.932 4.165 117 HA PHE 32 HA PHE 32 -5.743 8.750 5.811 118 HB2 PHE 32 HB2 PHE 32 -6.267 9.024 2.947 119 HB3 PHE 32 HB1 PHE 32 -5.024 10.121 3.539 120 HD1 PHE 32 HD1 PHE 32 -5.906 6.662 2.859 121 HD2 PHE 32 HD2 PHE 32 -2.970 9.254 4.526 122 HE1 PHE 32 HE1 PHE 32 -4.258 4.836 2.785 123 HE2 PHE 32 HE2 PHE 32 -1.316 7.432 4.457 124 HZ PHE 32 HZ PHE 32 -1.960 5.220 3.587 125 H LYS 33 HN LYS 33 -5.616 10.276 7.298 126 HA LYS 33 HA LYS 33 -6.597 12.958 6.754 127 HB2 LYS 33 HB2 LYS 33 -6.922 11.889 9.001 128 HB3 LYS 33 HB1 LYS 33 -5.177 11.910 9.219 129 HG2 LYS 33 HG2 LYS 33 -5.234 14.383 8.991 130 HG3 LYS 33 HG1 LYS 33 -6.996 14.293 8.947 131 HD2 LYS 33 HD2 LYS 33 -7.013 13.274 11.158 132 HD3 LYS 33 HD1 LYS 33 -5.250 13.310 11.204 133 HE2 LYS 33 HE2 LYS 33 -5.345 15.780 11.014 134 HE3 LYS 33 HE1 LYS 33 -7.102 15.688 11.097 135 HZ1 LYS 33 HZ1 LYS 33 -6.113 16.202 13.248 136 HZ2 LYS 33 HZ2 LYS 33 -5.234 14.758 13.209 137 HZ3 LYS 33 HZ3 LYS 33 -6.924 14.717 13.290 138 H ILE 34 HN ILE 34 -5.217 13.650 5.144 139 HA ILE 34 HA ILE 34 -2.448 14.127 6.001 140 HB ILE 34 HB ILE 34 -2.507 12.201 4.462 141 HG12 ILE 34 HG12 ILE 34 -1.352 14.456 2.851 142 HG13 ILE 34 HG11 ILE 34 -0.664 14.050 4.415 143 HG21 ILE 34 HG21 ILE 34 -3.706 14.129 2.481 144 HG22 ILE 34 HG22 ILE 34 -4.522 12.756 3.228 145 HG23 ILE 34 HG23 ILE 34 -3.175 12.487 2.125 146 HD11 ILE 34 HD11 ILE 34 0.646 12.804 3.019 147 HD12 ILE 34 HD12 ILE 34 -0.663 12.511 1.877 148 HD13 ILE 34 HD13 ILE 34 -0.612 11.631 3.404 149 H LYS 35 HN LYS 35 -1.413 15.827 4.416 150 HA LYS 35 HA LYS 35 -3.349 17.992 4.028 151 HB2 LYS 35 HB2 LYS 35 -0.342 17.930 4.254 152 HB3 LYS 35 HB1 LYS 35 -1.198 19.347 3.666 153 HG2 LYS 35 HG2 LYS 35 -2.456 19.400 5.810 154 HG3 LYS 35 HG1 LYS 35 -1.431 18.080 6.384 155 HD2 LYS 35 HD2 LYS 35 0.553 19.536 5.876 156 HD3 LYS 35 HD1 LYS 35 -0.577 20.857 5.583 157 HE2 LYS 35 HE2 LYS 35 -1.269 20.905 7.824 158 HE3 LYS 35 HE1 LYS 35 -0.579 19.319 8.160 159 HZ1 LYS 35 HZ1 LYS 35 1.636 20.276 7.839 160 HZ2 LYS 35 HZ2 LYS 35 0.791 21.050 9.093 161 HZ3 LYS 35 HZ3 LYS 35 0.940 21.804 7.589 162 H ARG 36 HN ARG 36 -2.168 19.489 2.069 163 HA ARG 36 HA ARG 36 -2.545 17.740 -0.248 164 HB2 ARG 36 HB2 ARG 36 -2.462 20.763 -0.162 165 HB3 ARG 36 HB1 ARG 36 -2.948 19.766 -1.525 166 HG2 ARG 36 HG2 ARG 36 -4.885 18.978 -0.297 167 HG3 ARG 36 HG1 ARG 36 -4.378 19.894 1.123 168 HD2 ARG 36 HD2 ARG 36 -6.051 21.186 0.069 169 HD3 ARG 36 HD1 ARG 36 -4.518 21.964 -0.312 170 HE ARG 36 HE ARG 36 -4.674 21.063 -2.533 171 HH11 ARG 36 HH11 ARG 36 -7.588 20.781 -0.567 172 HH12 ARG 36 HH12 ARG 36 -8.663 20.567 -2.002 173 HH21 ARG 36 HH21 ARG 36 -6.021 20.807 -4.369 174 HH22 ARG 36 HH22 ARG 36 -7.798 20.595 -4.105 175 H HIS 37 HN HIS 37 -0.065 19.395 1.432 176 HA HIS 37 HA HIS 37 1.681 19.432 -0.907 177 HB2 HIS 37 HB2 HIS 37 3.123 20.852 0.277 178 HB3 HIS 37 HB1 HIS 37 1.519 21.364 0.770 179 HD2 HIS 37 HD2 HIS 37 0.915 19.547 3.293 180 HE1 HIS 37 HE1 HIS 37 4.752 20.684 4.653 181 HE2 HIS 37 HE2 HIS 37 2.612 19.487 5.265 182 H THR 38 HN THR 38 1.018 17.451 1.798 183 HA THR 38 HA THR 38 3.574 16.286 2.148 184 HB THR 38 HB THR 38 0.956 14.912 2.735 185 HG1 THR 38 HG1 THR 38 2.284 16.756 4.467 186 HG21 THR 38 HG21 THR 38 3.567 14.895 4.256 187 HG22 THR 38 HG22 THR 38 3.114 13.674 3.067 188 HG23 THR 38 HG23 THR 38 2.160 13.872 4.538 189 HA PRO 39 HA PRO 39 3.917 13.999 -1.666 190 HB2 PRO 39 HB2 PRO 39 5.603 12.256 0.061 191 HB3 PRO 39 HB1 PRO 39 5.974 12.992 -1.504 192 HG2 PRO 39 HG2 PRO 39 7.020 13.995 0.709 193 HG3 PRO 39 HG1 PRO 39 6.449 15.059 -0.591 194 HD2 PRO 39 HD2 PRO 39 5.176 14.439 2.029 195 HD3 PRO 39 HD1 PRO 39 5.208 15.961 1.114 196 H LEU 40 HN LEU 40 2.932 12.298 -2.585 197 HA LEU 40 HA LEU 40 1.031 10.795 -1.107 198 HB2 LEU 40 HB2 LEU 40 2.062 10.430 -3.920 199 HB3 LEU 40 HB1 LEU 40 0.695 9.564 -3.246 200 HG LEU 40 HG LEU 40 0.799 12.566 -3.501 201 HD11 LEU 40 HD11 LEU 40 -0.612 12.325 -5.455 202 HD12 LEU 40 HD12 LEU 40 -0.530 10.569 -5.325 203 HD13 LEU 40 HD13 LEU 40 0.922 11.493 -5.707 204 HD21 LEU 40 HD21 LEU 40 -1.377 10.600 -2.839 205 HD22 LEU 40 HD22 LEU 40 -1.691 12.271 -3.304 206 HD23 LEU 40 HD23 LEU 40 -0.767 11.921 -1.843 207 H SER 41 HN SER 41 4.333 10.397 -1.578 208 HA SER 41 HA SER 41 4.648 7.624 -1.680 209 HB2 SER 41 HB2 SER 41 6.672 8.940 -0.065 210 HB3 SER 41 HB1 SER 41 6.820 8.209 -1.666 211 HG SER 41 HG SER 41 7.035 10.213 -2.299 212 H LYS 42 HN LYS 42 3.964 9.818 0.962 213 HA LYS 42 HA LYS 42 4.464 7.959 3.057 214 HB2 LYS 42 HB2 LYS 42 3.127 10.620 2.862 215 HB3 LYS 42 HB1 LYS 42 2.830 9.639 4.289 216 HG2 LYS 42 HG2 LYS 42 5.497 9.465 4.188 217 HG3 LYS 42 HG1 LYS 42 5.273 11.040 3.425 218 HD2 LYS 42 HD2 LYS 42 4.179 11.915 5.329 219 HD3 LYS 42 HD1 LYS 42 3.962 10.312 6.035 220 HE2 LYS 42 HE2 LYS 42 6.495 10.172 6.117 221 HE3 LYS 42 HE1 LYS 42 6.503 11.894 5.745 222 HZ1 LYS 42 HZ1 LYS 42 5.408 10.551 8.152 223 HZ2 LYS 42 HZ2 LYS 42 5.025 12.154 7.751 224 HZ3 LYS 42 HZ3 LYS 42 6.628 11.724 8.066 225 H LEU 43 HN LEU 43 1.667 8.763 1.100 226 HA LEU 43 HA LEU 43 -0.309 7.432 2.594 227 HB2 LEU 43 HB2 LEU 43 -0.019 8.272 -0.248 228 HB3 LEU 43 HB1 LEU 43 -1.273 7.106 0.133 229 HG LEU 43 HG LEU 43 -1.665 9.076 2.024 230 HD11 LEU 43 HD11 LEU 43 -0.091 10.553 0.913 231 HD12 LEU 43 HD12 LEU 43 -1.739 11.163 0.747 232 HD13 LEU 43 HD13 LEU 43 -0.958 10.350 -0.607 233 HD21 LEU 43 HD21 LEU 43 -2.957 8.774 -0.681 234 HD22 LEU 43 HD22 LEU 43 -3.644 9.618 0.706 235 HD23 LEU 43 HD23 LEU 43 -3.381 7.875 0.775 236 H MET 44 HN MET 44 1.782 6.363 -0.035 237 HA MET 44 HA MET 44 0.779 3.746 -0.244 238 HB2 MET 44 HB2 MET 44 3.521 4.828 -0.914 239 HB3 MET 44 HB1 MET 44 2.919 3.249 -1.401 240 HG2 MET 44 HG2 MET 44 1.041 4.453 -2.567 241 HG3 MET 44 HG1 MET 44 1.924 5.946 -2.266 242 HE1 MET 44 HE1 MET 44 4.041 6.715 -3.582 243 HE2 MET 44 HE2 MET 44 5.112 5.580 -4.405 244 HE3 MET 44 HE3 MET 44 4.853 5.445 -2.666 245 H LYS 45 HN LYS 45 3.551 5.051 1.546 246 HA LYS 45 HA LYS 45 4.456 2.649 2.649 247 HB2 LYS 45 HB2 LYS 45 4.632 5.491 3.621 248 HB3 LYS 45 HB1 LYS 45 5.377 4.157 4.490 249 HG2 LYS 45 HG2 LYS 45 6.511 3.641 2.217 250 HG3 LYS 45 HG1 LYS 45 6.084 5.310 1.829 251 HD2 LYS 45 HD2 LYS 45 7.695 4.412 4.220 252 HD3 LYS 45 HD1 LYS 45 8.349 5.142 2.756 253 HE2 LYS 45 HE2 LYS 45 7.343 7.217 3.209 254 HE3 LYS 45 HE1 LYS 45 6.276 6.526 4.431 255 HZ1 LYS 45 HZ1 LYS 45 8.080 6.257 5.915 256 HZ2 LYS 45 HZ2 LYS 45 8.207 7.827 5.304 257 HZ3 LYS 45 HZ3 LYS 45 9.226 6.608 4.724 258 H ALA 46 HN ALA 46 2.291 5.092 4.075 259 HA ALA 46 HA ALA 46 1.825 3.811 6.497 260 HB1 ALA 46 HB1 ALA 46 1.217 6.138 6.001 261 HB2 ALA 46 HB2 ALA 46 -0.108 5.230 6.723 262 HB3 ALA 46 HB3 ALA 46 -0.110 5.560 4.992 263 H TYR 47 HN TYR 47 0.036 3.496 3.433 264 HA TYR 47 HA TYR 47 -1.937 1.761 4.492 265 HB2 TYR 47 HB2 TYR 47 -2.246 3.000 2.382 266 HB3 TYR 47 HB1 TYR 47 -0.994 2.016 1.624 267 HD1 TYR 47 HD1 TYR 47 -1.484 -0.180 0.808 268 HD2 TYR 47 HD2 TYR 47 -4.399 1.957 3.055 269 HE1 TYR 47 HE1 TYR 47 -3.180 -1.845 0.179 270 HE2 TYR 47 HE2 TYR 47 -6.103 0.297 2.429 271 HH TYR 47 HH TYR 47 -6.564 -1.398 0.916 272 H CYS 48 HN CYS 48 1.214 1.199 2.992 273 HA CYS 48 HA CYS 48 1.002 -1.608 2.795 274 HB2 CYS 48 HB2 CYS 48 3.433 0.166 3.079 275 HB3 CYS 48 HB1 CYS 48 3.504 -1.559 2.721 276 HG CYS 48 HG CYS 48 2.339 0.954 0.741 277 H GLU 49 HN GLU 49 2.241 0.508 5.350 278 HA GLU 49 HA GLU 49 3.086 -1.545 7.103 279 HB2 GLU 49 HB2 GLU 49 2.162 1.266 7.759 280 HB3 GLU 49 HB1 GLU 49 3.047 0.206 8.843 281 HG2 GLU 49 HG2 GLU 49 4.186 0.976 6.187 282 HG3 GLU 49 HG1 GLU 49 4.316 2.049 7.578 283 H ARG 50 HN ARG 50 0.028 0.035 6.539 284 HA ARG 50 HA ARG 50 -1.368 -0.898 8.819 285 HB2 ARG 50 HB2 ARG 50 -1.942 0.978 7.123 286 HB3 ARG 50 HB1 ARG 50 -2.658 -0.309 6.171 287 HG2 ARG 50 HG2 ARG 50 -4.508 0.292 7.297 288 HG3 ARG 50 HG1 ARG 50 -3.852 -0.789 8.523 289 HD2 ARG 50 HD2 ARG 50 -2.950 2.032 8.578 290 HD3 ARG 50 HD1 ARG 50 -4.615 1.711 9.060 291 HE ARG 50 HE ARG 50 -2.198 0.680 10.383 292 HH11 ARG 50 HH11 ARG 50 -5.691 1.154 10.303 293 HH12 ARG 50 HH12 ARG 50 -5.862 0.924 12.093 294 HH21 ARG 50 HH21 ARG 50 -4.048 0.386 13.372 295 HH22 ARG 50 HH22 ARG 50 -2.411 0.264 12.624 296 H GLN 51 HN GLN 51 -0.844 -2.227 5.600 297 HA GLN 51 HA GLN 51 -2.600 -4.488 6.141 298 HB2 GLN 51 HB2 GLN 51 -1.016 -3.674 3.706 299 HB3 GLN 51 HB1 GLN 51 -1.956 -5.158 3.799 300 HG2 GLN 51 HG2 GLN 51 -3.116 -2.413 4.191 301 HG3 GLN 51 HG1 GLN 51 -3.086 -3.262 2.647 302 HE21 GLN 51 HE21 GLN 51 -5.343 -2.361 4.292 303 HE22 GLN 51 HE22 GLN 51 -6.298 -3.771 4.587 304 H GLY 52 HN GLY 52 0.729 -3.687 6.304 305 HA2 GLY 52 HA2 GLY 52 2.456 -4.939 7.212 306 HA3 GLY 52 HA1 GLY 52 1.363 -6.315 7.307 307 H LEU 53 HN LEU 53 2.094 -4.404 4.447 308 HA LEU 53 HA LEU 53 3.450 -6.750 3.288 309 HB2 LEU 53 HB2 LEU 53 1.490 -4.918 1.898 310 HB3 LEU 53 HB1 LEU 53 2.393 -6.207 1.126 311 HG LEU 53 HG LEU 53 0.376 -6.638 3.328 312 HD11 LEU 53 HD11 LEU 53 -1.104 -7.456 1.548 313 HD12 LEU 53 HD12 LEU 53 0.077 -6.943 0.342 314 HD13 LEU 53 HD13 LEU 53 -0.726 -5.743 1.358 315 HD21 LEU 53 HD21 LEU 53 2.057 -8.392 3.178 316 HD22 LEU 53 HD22 LEU 53 1.754 -8.553 1.447 317 HD23 LEU 53 HD23 LEU 53 0.494 -8.975 2.605 318 H SER 54 HN SER 54 4.590 -6.075 1.186 319 HA SER 54 HA SER 54 6.273 -3.797 1.828 320 HB2 SER 54 HB2 SER 54 7.444 -5.799 1.176 321 HB3 SER 54 HB1 SER 54 6.465 -5.965 -0.281 322 HG SER 54 HG SER 54 8.758 -4.669 0.004 323 H MET 55 HN MET 55 6.569 -2.015 0.491 324 HA MET 55 HA MET 55 4.275 -1.157 -0.951 325 HB2 MET 55 HB2 MET 55 6.117 0.228 0.302 326 HB3 MET 55 HB1 MET 55 6.947 0.170 -1.244 327 HG2 MET 55 HG2 MET 55 4.987 1.184 -2.319 328 HG3 MET 55 HG1 MET 55 4.202 1.289 -0.745 329 HE1 MET 55 HE1 MET 55 6.682 2.787 -3.232 330 HE2 MET 55 HE2 MET 55 7.859 2.077 -2.126 331 HE3 MET 55 HE3 MET 55 7.716 3.829 -2.257 332 H ARG 56 HN ARG 56 6.931 -3.060 -1.793 333 HA ARG 56 HA ARG 56 6.843 -2.383 -4.622 334 HB2 ARG 56 HB2 ARG 56 8.985 -2.890 -3.351 335 HB3 ARG 56 HB1 ARG 56 8.454 -4.564 -3.297 336 HG2 ARG 56 HG2 ARG 56 8.525 -4.726 -5.692 337 HG3 ARG 56 HG1 ARG 56 8.866 -2.998 -5.837 338 HD2 ARG 56 HD2 ARG 56 10.991 -3.289 -4.726 339 HD3 ARG 56 HD1 ARG 56 10.642 -4.992 -4.441 340 HE ARG 56 HE ARG 56 11.070 -5.451 -6.682 341 HH11 ARG 56 HH11 ARG 56 12.155 -1.639 -7.538 342 HH12 ARG 56 HH12 ARG 56 11.213 -1.988 -6.041 343 HH21 ARG 56 HH21 ARG 56 12.702 -3.343 -8.986 344 HH22 ARG 56 HH22 ARG 56 12.211 -5.039 -8.617 345 H GLN 57 HN GLN 57 5.174 -4.369 -2.517 346 HA GLN 57 HA GLN 57 4.749 -6.549 -4.398 347 HB2 GLN 57 HB2 GLN 57 4.957 -6.983 -1.958 348 HB3 GLN 57 HB1 GLN 57 3.476 -6.071 -1.696 349 HG2 GLN 57 HG2 GLN 57 2.335 -7.714 -3.231 350 HG3 GLN 57 HG1 GLN 57 3.807 -8.681 -3.143 351 HE21 GLN 57 HE21 GLN 57 1.055 -9.220 -2.249 352 HE22 GLN 57 HE22 GLN 57 1.191 -9.635 -0.575 353 H ILE 58 HN ILE 58 3.227 -3.597 -3.430 354 HA ILE 58 HA ILE 58 0.878 -4.318 -5.050 355 HB ILE 58 HB ILE 58 -0.303 -2.478 -3.718 356 HG12 ILE 58 HG12 ILE 58 2.020 -3.041 -1.858 357 HG13 ILE 58 HG11 ILE 58 1.672 -1.508 -2.650 358 HG21 ILE 58 HG21 ILE 58 -0.924 -4.769 -3.483 359 HG22 ILE 58 HG22 ILE 58 -0.825 -4.068 -1.868 360 HG23 ILE 58 HG23 ILE 58 0.475 -5.104 -2.461 361 HD11 ILE 58 HD11 ILE 58 -0.053 -2.860 -0.587 362 HD12 ILE 58 HD12 ILE 58 -0.406 -1.325 -1.384 363 HD13 ILE 58 HD13 ILE 58 0.996 -1.467 -0.324 364 H ARG 59 HN ARG 59 -0.262 -2.329 -5.927 365 HA ARG 59 HA ARG 59 1.627 -0.221 -6.716 366 HB2 ARG 59 HB2 ARG 59 -0.224 -1.716 -8.589 367 HB3 ARG 59 HB1 ARG 59 0.725 -0.303 -9.022 368 HG2 ARG 59 HG2 ARG 59 1.872 -2.942 -8.125 369 HG3 ARG 59 HG1 ARG 59 1.715 -2.414 -9.802 370 HD2 ARG 59 HD2 ARG 59 3.143 -0.456 -9.272 371 HD3 ARG 59 HD1 ARG 59 3.374 -1.101 -7.647 372 HE ARG 59 HE ARG 59 4.490 -2.151 -10.130 373 HH11 ARG 59 HH11 ARG 59 5.369 -3.698 -6.498 374 HH12 ARG 59 HH12 ARG 59 4.045 -2.476 -6.654 375 HH21 ARG 59 HH21 ARG 59 6.172 -3.673 -9.963 376 HH22 ARG 59 HH22 ARG 59 6.572 -4.355 -8.341 377 H PHE 60 HN PHE 60 0.757 1.776 -6.605 378 HA PHE 60 HA PHE 60 -2.111 1.961 -5.998 379 HB2 PHE 60 HB2 PHE 60 0.180 3.860 -5.452 380 HB3 PHE 60 HB1 PHE 60 -1.508 4.260 -5.155 381 HD1 PHE 60 HD1 PHE 60 1.108 1.771 -4.259 382 HD2 PHE 60 HD2 PHE 60 -2.476 3.756 -3.126 383 HE1 PHE 60 HE1 PHE 60 1.264 0.763 -2.022 384 HE2 PHE 60 HE2 PHE 60 -2.332 2.751 -0.885 385 HZ PHE 60 HZ PHE 60 -0.456 1.252 -0.331 386 H ARG 61 HN ARG 61 -3.452 2.809 -7.456 387 HA ARG 61 HA ARG 61 -2.287 4.479 -9.586 388 HB2 ARG 61 HB2 ARG 61 -4.324 2.273 -9.833 389 HB3 ARG 61 HB1 ARG 61 -4.127 3.508 -11.069 390 HG2 ARG 61 HG2 ARG 61 -1.581 2.731 -10.848 391 HG3 ARG 61 HG1 ARG 61 -2.377 1.236 -10.354 392 HD2 ARG 61 HD2 ARG 61 -3.130 2.722 -12.857 393 HD3 ARG 61 HD1 ARG 61 -1.858 1.503 -12.828 394 HE ARG 61 HE ARG 61 -3.741 0.021 -11.880 395 HH11 ARG 61 HH11 ARG 61 -5.555 1.752 -15.067 396 HH12 ARG 61 HH12 ARG 61 -4.124 2.552 -14.310 397 HH21 ARG 61 HH21 ARG 61 -5.531 -1.021 -12.830 398 HH22 ARG 61 HH22 ARG 61 -6.343 -0.242 -14.238 399 H PHE 62 HN PHE 62 -3.261 6.325 -10.024 400 HA PHE 62 HA PHE 62 -5.851 6.868 -8.733 401 HB2 PHE 62 HB2 PHE 62 -4.176 8.131 -7.553 402 HB3 PHE 62 HB1 PHE 62 -3.459 8.690 -9.060 403 HD1 PHE 62 HD1 PHE 62 -6.656 8.811 -7.152 404 HD2 PHE 62 HD2 PHE 62 -4.046 10.756 -9.895 405 HE1 PHE 62 HE1 PHE 62 -8.087 10.807 -7.091 406 HE2 PHE 62 HE2 PHE 62 -5.472 12.759 -9.839 407 HZ PHE 62 HZ PHE 62 -7.493 12.786 -8.440 408 H ASP 63 HN ASP 63 -7.388 7.187 -10.137 409 HA ASP 63 HA ASP 63 -8.557 7.691 -12.003 410 HB2 ASP 63 HB2 ASP 63 -7.425 9.960 -11.380 411 HB3 ASP 63 HB1 ASP 63 -6.457 9.669 -12.824 412 H GLY 64 HN GLY 64 -6.262 5.749 -12.105 413 HA2 GLY 64 HA2 GLY 64 -6.105 4.197 -13.946 414 HA3 GLY 64 HA1 GLY 64 -6.169 5.568 -15.041 415 H GLN 65 HN GLN 65 -4.242 7.140 -13.484 416 HA GLN 65 HA GLN 65 -1.865 5.858 -14.570 417 HB2 GLN 65 HB2 GLN 65 -2.542 8.640 -13.718 418 HB3 GLN 65 HB1 GLN 65 -0.855 8.156 -13.799 419 HG2 GLN 65 HG2 GLN 65 -2.861 8.170 -16.037 420 HG3 GLN 65 HG1 GLN 65 -1.441 9.201 -15.862 421 HE21 GLN 65 HE21 GLN 65 0.614 8.310 -16.206 422 HE22 GLN 65 HE22 GLN 65 0.835 6.828 -17.073 423 HA PRO 66 HA PRO 66 -0.425 4.443 -10.626 424 HB2 PRO 66 HB2 PRO 66 2.296 4.637 -11.720 425 HB3 PRO 66 HB1 PRO 66 1.398 3.206 -11.199 426 HG2 PRO 66 HG2 PRO 66 1.910 3.662 -13.786 427 HG3 PRO 66 HG1 PRO 66 0.407 2.894 -13.244 428 HD2 PRO 66 HD2 PRO 66 0.873 5.718 -14.100 429 HD3 PRO 66 HD1 PRO 66 -0.486 4.634 -14.463 430 H ILE 67 HN ILE 67 0.429 5.286 -8.787 431 HA ILE 67 HA ILE 67 1.119 8.103 -8.836 432 HB ILE 67 HB ILE 67 0.733 6.180 -6.535 433 HG12 ILE 67 HG12 ILE 67 -1.032 8.393 -7.609 434 HG13 ILE 67 HG11 ILE 67 -1.310 6.668 -7.823 435 HG21 ILE 67 HG21 ILE 67 1.113 9.170 -6.480 436 HG22 ILE 67 HG22 ILE 67 2.267 7.966 -5.911 437 HG23 ILE 67 HG23 ILE 67 0.717 8.154 -5.093 438 HD11 ILE 67 HD11 ILE 67 -1.331 8.166 -5.211 439 HD12 ILE 67 HD12 ILE 67 -1.564 6.428 -5.396 440 HD13 ILE 67 HD13 ILE 67 -2.735 7.553 -6.084 441 H ASN 68 HN ASN 68 3.114 8.935 -8.560 442 HA ASN 68 HA ASN 68 5.337 7.056 -8.313 443 HB2 ASN 68 HB2 ASN 68 5.350 10.010 -8.968 444 HB3 ASN 68 HB1 ASN 68 6.754 8.948 -8.996 445 HD21 ASN 68 HD21 ASN 68 3.925 9.998 -10.627 446 HD22 ASN 68 HD22 ASN 68 4.180 9.109 -12.097 447 H GLU 69 HN GLU 69 7.193 7.701 -6.955 448 HA GLU 69 HA GLU 69 6.280 8.328 -4.301 449 HB2 GLU 69 HB2 GLU 69 9.094 7.862 -5.308 450 HB3 GLU 69 HB1 GLU 69 8.574 7.843 -3.627 451 HG2 GLU 69 HG2 GLU 69 7.391 5.844 -3.895 452 HG3 GLU 69 HG1 GLU 69 7.406 5.972 -5.652 453 H THR 70 HN THR 70 6.997 10.216 -6.856 454 HA THR 70 HA THR 70 8.060 12.398 -5.195 455 HB THR 70 HB THR 70 8.311 12.947 -7.997 456 HG1 THR 70 HG1 THR 70 9.688 10.585 -7.205 457 HG21 THR 70 HG21 THR 70 9.677 13.939 -6.224 458 HG22 THR 70 HG22 THR 70 10.688 13.134 -7.426 459 HG23 THR 70 HG23 THR 70 10.376 12.357 -5.873 460 H ASP 71 HN ASP 71 5.222 11.415 -5.910 461 HA ASP 71 HA ASP 71 4.197 13.863 -7.171 462 HB2 ASP 71 HB2 ASP 71 3.111 11.078 -6.896 463 HB3 ASP 71 HB1 ASP 71 2.008 12.424 -7.146 464 H THR 72 HN THR 72 2.407 14.944 -6.256 465 HA THR 72 HA THR 72 1.855 14.378 -3.429 466 HB THR 72 HB THR 72 1.688 16.952 -3.179 467 HG1 THR 72 HG1 THR 72 3.498 17.805 -4.685 468 HG21 THR 72 HG21 THR 72 4.306 15.484 -3.422 469 HG22 THR 72 HG22 THR 72 3.372 15.825 -1.966 470 HG23 THR 72 HG23 THR 72 4.188 17.136 -2.815 471 HA PRO 73 HA PRO 73 -2.443 14.765 -4.425 472 HB2 PRO 73 HB2 PRO 73 -2.733 16.818 -2.299 473 HB3 PRO 73 HB1 PRO 73 -3.586 15.281 -2.504 474 HG2 PRO 73 HG2 PRO 73 -1.724 15.550 -0.627 475 HG3 PRO 73 HG1 PRO 73 -1.902 14.040 -1.542 476 HD2 PRO 73 HD2 PRO 73 0.151 16.183 -1.821 477 HD3 PRO 73 HD1 PRO 73 0.318 14.423 -1.991 478 H ALA 74 HN ALA 74 -0.846 17.841 -3.688 479 HA ALA 74 HA ALA 74 -2.625 19.449 -5.209 480 HB1 ALA 74 HB1 ALA 74 -0.942 21.208 -4.913 481 HB2 ALA 74 HB2 ALA 74 0.191 20.012 -4.283 482 HB3 ALA 74 HB3 ALA 74 -1.293 20.378 -3.398 483 H GLN 75 HN GLN 75 0.425 17.842 -5.900 484 HA GLN 75 HA GLN 75 0.976 19.051 -8.382 485 HB2 GLN 75 HB2 GLN 75 2.658 17.801 -7.141 486 HB3 GLN 75 HB1 GLN 75 1.730 16.322 -7.323 487 HG2 GLN 75 HG2 GLN 75 3.559 16.288 -8.856 488 HG3 GLN 75 HG1 GLN 75 2.057 16.456 -9.764 489 HE21 GLN 75 HE21 GLN 75 3.163 17.298 -11.529 490 HE22 GLN 75 HE22 GLN 75 3.765 18.920 -11.537 491 H LEU 76 HN LEU 76 -0.929 16.219 -7.496 492 HA LEU 76 HA LEU 76 -1.519 15.626 -10.278 493 HB2 LEU 76 HB2 LEU 76 -2.379 14.314 -7.703 494 HB3 LEU 76 HB1 LEU 76 -2.914 13.784 -9.284 495 HG LEU 76 HG LEU 76 -0.114 13.690 -8.171 496 HD11 LEU 76 HD11 LEU 76 -1.954 11.528 -9.184 497 HD12 LEU 76 HD12 LEU 76 -1.653 11.900 -7.488 498 HD13 LEU 76 HD13 LEU 76 -0.343 11.302 -8.506 499 HD21 LEU 76 HD21 LEU 76 0.109 14.377 -10.456 500 HD22 LEU 76 HD22 LEU 76 -1.072 13.178 -10.984 501 HD23 LEU 76 HD23 LEU 76 0.491 12.659 -10.356 502 H GLU 77 HN GLU 77 -2.631 17.863 -8.195 503 HA GLU 77 HA GLU 77 -4.496 19.141 -8.028 504 HB2 GLU 77 HB2 GLU 77 -4.829 17.955 -10.764 505 HB3 GLU 77 HB1 GLU 77 -6.054 19.023 -10.095 506 HG2 GLU 77 HG2 GLU 77 -3.175 19.831 -10.202 507 HG3 GLU 77 HG1 GLU 77 -4.247 20.039 -11.586 508 H MET 78 HN MET 78 -4.627 16.889 -6.561 509 HA MET 78 HA MET 78 -7.170 15.562 -7.030 510 HB2 MET 78 HB2 MET 78 -5.235 15.275 -4.723 511 HB3 MET 78 HB1 MET 78 -6.588 14.211 -5.081 512 HG2 MET 78 HG2 MET 78 -5.543 13.433 -7.074 513 HG3 MET 78 HG1 MET 78 -4.270 14.645 -6.941 514 HE1 MET 78 HE1 MET 78 -5.900 11.502 -5.426 515 HE2 MET 78 HE2 MET 78 -5.739 12.440 -3.940 516 HE3 MET 78 HE3 MET 78 -4.760 10.993 -4.180 517 H GLU 79 HN GLU 79 -8.907 15.605 -5.512 518 HA GLU 79 HA GLU 79 -8.878 18.000 -3.791 519 HB2 GLU 79 HB2 GLU 79 -10.661 17.297 -5.950 520 HB3 GLU 79 HB1 GLU 79 -11.553 17.450 -4.443 521 HG2 GLU 79 HG2 GLU 79 -9.841 19.518 -5.790 522 HG3 GLU 79 HG1 GLU 79 -11.577 19.571 -5.492 523 H ASP 80 HN ASP 80 -11.026 17.815 -2.351 524 HA ASP 80 HA ASP 80 -10.480 15.738 -0.495 525 HB2 ASP 80 HB2 ASP 80 -11.638 18.129 -0.253 526 HB3 ASP 80 HB1 ASP 80 -13.099 17.164 -0.434 527 H GLU 81 HN GLU 81 -11.644 13.919 0.035 528 HA GLU 81 HA GLU 81 -13.016 12.137 -0.184 529 HB2 GLU 81 HB2 GLU 81 -14.584 14.015 -1.944 530 HB3 GLU 81 HB1 GLU 81 -15.089 12.360 -1.635 531 HG2 GLU 81 HG2 GLU 81 -14.568 14.325 0.571 532 HG3 GLU 81 HG1 GLU 81 -16.142 14.158 -0.208 533 H ASP 82 HN ASP 82 -10.927 13.161 -2.381 534 HA ASP 82 HA ASP 82 -11.584 11.681 -4.706 535 HB2 ASP 82 HB2 ASP 82 -9.432 13.343 -3.872 536 HB3 ASP 82 HB1 ASP 82 -8.740 11.813 -4.404 537 H THR 83 HN THR 83 -10.977 9.600 -5.339 538 HA THR 83 HA THR 83 -10.131 7.887 -3.099 539 HB THR 83 HB THR 83 -11.839 7.016 -5.429 540 HG1 THR 83 HG1 THR 83 -12.574 8.677 -3.593 541 HG21 THR 83 HG21 THR 83 -12.313 5.079 -4.111 542 HG22 THR 83 HG22 THR 83 -11.499 5.763 -2.705 543 HG23 THR 83 HG23 THR 83 -10.562 5.285 -4.119 544 H ILE 84 HN ILE 84 -8.525 6.505 -3.322 545 HA ILE 84 HA ILE 84 -7.180 6.281 -5.941 546 HB ILE 84 HB ILE 84 -5.978 5.909 -3.185 547 HG12 ILE 84 HG12 ILE 84 -5.566 8.207 -5.108 548 HG13 ILE 84 HG11 ILE 84 -6.635 8.264 -3.712 549 HG21 ILE 84 HG21 ILE 84 -3.827 5.915 -4.371 550 HG22 ILE 84 HG22 ILE 84 -4.683 6.000 -5.910 551 HG23 ILE 84 HG23 ILE 84 -4.859 4.578 -4.881 552 HD11 ILE 84 HD11 ILE 84 -3.653 7.874 -3.669 553 HD12 ILE 84 HD12 ILE 84 -4.701 7.840 -2.248 554 HD13 ILE 84 HD13 ILE 84 -4.538 9.322 -3.192 555 H ASP 85 HN ASP 85 -6.623 4.201 -6.668 556 HA ASP 85 HA ASP 85 -7.907 2.011 -5.178 557 HB2 ASP 85 HB2 ASP 85 -8.308 2.725 -7.762 558 HB3 ASP 85 HB1 ASP 85 -7.030 1.532 -7.959 559 H VAL 86 HN VAL 86 -6.824 0.091 -4.787 560 HA VAL 86 HA VAL 86 -3.902 0.184 -5.207 561 HB VAL 86 HB VAL 86 -5.286 -1.225 -2.920 562 HG11 VAL 86 HG11 VAL 86 -3.023 -1.277 -1.958 563 HG12 VAL 86 HG12 VAL 86 -2.397 -0.520 -3.420 564 HG13 VAL 86 HG13 VAL 86 -3.110 -2.130 -3.498 565 HG21 VAL 86 HG21 VAL 86 -4.539 0.605 -1.489 566 HG22 VAL 86 HG22 VAL 86 -5.656 1.179 -2.723 567 HG23 VAL 86 HG23 VAL 86 -3.927 1.467 -2.902 568 H PHE 87 HN PHE 87 -3.118 -1.365 -6.427 569 HA PHE 87 HA PHE 87 -4.646 -3.873 -6.710 570 HB2 PHE 87 HB2 PHE 87 -2.859 -2.536 -8.759 571 HB3 PHE 87 HB1 PHE 87 -3.733 -4.047 -8.985 572 HD1 PHE 87 HD1 PHE 87 -6.258 -3.994 -8.946 573 HD2 PHE 87 HD2 PHE 87 -3.872 -0.478 -9.204 574 HE1 PHE 87 HE1 PHE 87 -8.193 -2.744 -9.811 575 HE2 PHE 87 HE2 PHE 87 -5.803 0.773 -10.067 576 HZ PHE 87 HZ PHE 87 -7.967 -0.361 -10.372 577 H GLN 88 HN GLN 88 -3.345 -5.805 -7.060 578 HA GLN 88 HA GLN 88 -0.812 -5.646 -5.610 579 HB2 GLN 88 HB2 GLN 88 -2.731 -7.865 -6.220 580 HB3 GLN 88 HB1 GLN 88 -1.063 -8.242 -5.822 581 HG2 GLN 88 HG2 GLN 88 -1.977 -6.407 -3.886 582 HG3 GLN 88 HG1 GLN 88 -3.225 -7.634 -4.081 583 HE21 GLN 88 HE21 GLN 88 -2.811 -8.453 -2.027 584 HE22 GLN 88 HE22 GLN 88 -1.419 -9.423 -1.695 585 H GLN 89 HN GLN 89 1.076 -6.666 -6.411 586 HA GLN 89 HA GLN 89 1.329 -6.423 -9.283 587 HB2 GLN 89 HB2 GLN 89 3.080 -5.520 -7.800 588 HB3 GLN 89 HB1 GLN 89 3.389 -7.136 -7.180 589 HG2 GLN 89 HG2 GLN 89 5.054 -6.444 -8.823 590 HG3 GLN 89 HG1 GLN 89 4.148 -7.858 -9.362 591 HE21 GLN 89 HE21 GLN 89 4.486 -7.565 -11.508 592 HE22 GLN 89 HE22 GLN 89 3.825 -6.249 -12.414 593 H GLN 90 HN GLN 90 1.565 -8.050 -10.707 594 HA GLN 90 HA GLN 90 0.687 -10.642 -10.037 595 HB2 GLN 90 HB2 GLN 90 1.858 -9.364 -12.463 596 HB3 GLN 90 HB1 GLN 90 1.816 -11.119 -12.392 597 HG2 GLN 90 HG2 GLN 90 -0.125 -10.523 -13.518 598 HG3 GLN 90 HG1 GLN 90 -0.658 -10.874 -11.876 599 HE21 GLN 90 HE21 GLN 90 -2.521 -9.640 -12.220 600 HE22 GLN 90 HE22 GLN 90 -2.476 -7.911 -12.203 601 H THR 91 HN THR 91 1.753 -12.437 -9.417 602 HA THR 91 HA THR 91 4.514 -12.228 -8.667 603 HB THR 91 HB THR 91 3.851 -14.869 -8.328 604 HG1 THR 91 HG1 THR 91 1.732 -15.069 -8.208 605 HG21 THR 91 HG21 THR 91 3.272 -12.536 -6.498 606 HG22 THR 91 HG22 THR 91 4.789 -13.431 -6.610 607 HG23 THR 91 HG23 THR 91 3.339 -14.224 -5.992 608 H GLY 92 HN GLY 92 2.664 -14.229 -10.946 609 HA2 GLY 92 HA2 GLY 92 4.718 -14.218 -12.898 610 HA3 GLY 92 HA1 GLY 92 4.739 -15.729 -11.997 611 H ASN 357 HT1 ASN 357 -20.068 -2.455 6.516 612 HA ASN 357 HA ASN 357 -18.477 -1.111 4.418 613 HB2 ASN 357 HB2 ASN 357 -20.327 0.243 5.369 614 HB3 ASN 357 HB1 ASN 357 -19.722 -0.069 6.985 615 HD21 ASN 357 HD21 ASN 357 -20.161 2.480 5.860 616 HD22 ASN 357 HD22 ASN 357 -18.636 3.287 5.750 617 H ASN 358 HN ASN 358 -16.368 -1.249 4.686 618 HA ASN 358 HA ASN 358 -15.336 -1.973 7.348 619 HB2 ASN 358 HB2 ASN 358 -14.884 -3.767 5.797 620 HB3 ASN 358 HB1 ASN 358 -14.318 -2.641 4.573 621 HD21 ASN 358 HD21 ASN 358 -12.338 -3.493 4.305 622 HD22 ASN 358 HD22 ASN 358 -11.107 -3.498 5.524 623 H ARG 359 HN ARG 359 -14.242 -0.397 8.283 624 HA ARG 359 HA ARG 359 -13.035 1.656 6.570 625 HB2 ARG 359 HB2 ARG 359 -13.583 3.178 8.651 626 HB3 ARG 359 HB1 ARG 359 -14.769 2.893 7.389 627 HG2 ARG 359 HG2 ARG 359 -15.644 1.006 8.851 628 HG3 ARG 359 HG1 ARG 359 -14.643 1.686 10.134 629 HD2 ARG 359 HD2 ARG 359 -15.819 3.757 10.054 630 HD3 ARG 359 HD1 ARG 359 -16.672 3.280 8.590 631 HE ARG 359 HE ARG 359 -17.144 1.548 10.839 632 HH11 ARG 359 HH11 ARG 359 -19.781 4.447 9.822 633 HH12 ARG 359 HH12 ARG 359 -18.133 4.420 9.090 634 HH21 ARG 359 HH21 ARG 359 -19.234 1.504 11.761 635 HH22 ARG 359 HH22 ARG 359 -20.406 2.802 11.313 636 H ASP 360 HN ASP 360 -11.029 2.008 6.876 637 HA ASP 360 HA ASP 360 -9.795 1.314 9.451 638 HB2 ASP 360 HB2 ASP 360 -9.215 -0.151 7.330 639 HB3 ASP 360 HB1 ASP 360 -8.203 1.225 6.912 640 HA PRO 361 HA PRO 361 -8.563 5.551 8.794 641 HB2 PRO 361 HB2 PRO 361 -8.162 6.178 11.355 642 HB3 PRO 361 HB1 PRO 361 -9.771 5.733 10.774 643 HG2 PRO 361 HG2 PRO 361 -7.960 4.214 12.511 644 HG3 PRO 361 HG1 PRO 361 -9.707 4.038 12.278 645 HD2 PRO 361 HD2 PRO 361 -7.541 2.532 11.019 646 HD3 PRO 361 HD1 PRO 361 -9.292 2.218 10.991 647 H ILE 362 HN ILE 362 -6.745 6.406 8.153 648 HA ILE 362 HA ILE 362 -4.236 5.527 9.390 649 HB ILE 362 HB ILE 362 -4.569 6.295 6.484 650 HG12 ILE 362 HG12 ILE 362 -4.489 3.632 7.888 651 HG13 ILE 362 HG11 ILE 362 -5.601 4.175 6.639 652 HG21 ILE 362 HG21 ILE 362 -2.263 5.463 6.273 653 HG22 ILE 362 HG22 ILE 362 -2.208 5.195 8.015 654 HG23 ILE 362 HG23 ILE 362 -2.370 6.834 7.381 655 HD11 ILE 362 HD11 ILE 362 -4.282 3.444 4.989 656 HD12 ILE 362 HD12 ILE 362 -3.519 2.478 6.250 657 HD13 ILE 362 HD13 ILE 362 -2.807 4.017 5.770 658 H VAL 363 HN VAL 363 -2.899 7.026 10.058 659 HA VAL 363 HA VAL 363 -3.608 9.853 9.577 660 HB VAL 363 HB VAL 363 -2.287 8.649 12.033 661 HG11 VAL 363 HG11 VAL 363 -2.602 10.919 12.995 662 HG12 VAL 363 HG12 VAL 363 -3.084 11.494 11.399 663 HG13 VAL 363 HG13 VAL 363 -1.449 10.878 11.663 664 HG21 VAL 363 HG21 VAL 363 -4.657 8.099 11.894 665 HG22 VAL 363 HG22 VAL 363 -5.049 9.804 11.674 666 HG23 VAL 363 HG23 VAL 363 -4.354 9.251 13.196 667 H ILE 364 HN ILE 364 -2.084 11.192 8.990 668 HA ILE 364 HA ILE 364 0.534 10.060 8.339 669 HB ILE 364 HB ILE 364 -1.286 11.176 6.591 670 HG12 ILE 364 HG12 ILE 364 0.738 11.254 5.039 671 HG13 ILE 364 HG11 ILE 364 1.696 10.781 6.436 672 HG21 ILE 364 HG21 ILE 364 0.109 13.218 5.805 673 HG22 ILE 364 HG22 ILE 364 0.665 13.262 7.475 674 HG23 ILE 364 HG23 ILE 364 -1.051 13.420 7.113 675 HD11 ILE 364 HD11 ILE 364 0.573 8.711 6.614 676 HD12 ILE 364 HD12 ILE 364 1.003 8.922 4.915 677 HD13 ILE 364 HD13 ILE 364 -0.656 9.204 5.447 678 H SEP 365 HN SEP 365 2.348 11.194 8.827 679 HA SEP 365 HA SEP 365 1.931 13.431 10.685 680 HB2 SEP 365 HB1 SEP 365 3.087 11.496 11.624 681 HB3 SEP 365 HB2 SEP 365 4.235 12.823 11.464 682 H ASP 366 HN ASP 366 2.559 15.374 10.081 683 HA ASP 366 HA ASP 366 4.194 15.658 7.647 684 HB2 ASP 366 HB2 ASP 366 1.804 16.184 7.298 685 HB3 ASP 366 HB1 ASP 366 1.889 17.392 8.575 686 H SEP 367 HN SEP 367 5.956 16.835 7.826 687 HA SEP 367 HA SEP 367 6.634 18.091 10.306 688 HB2 SEP 367 HB1 SEP 367 8.787 18.458 9.294 689 HB3 SEP 367 HB2 SEP 367 8.127 18.191 7.679 690 HA PRO 368 HA PRO 368 4.809 22.021 9.234 691 HB2 PRO 368 HB2 PRO 368 5.898 23.432 11.307 692 HB3 PRO 368 HB1 PRO 368 4.468 22.401 11.469 693 HG2 PRO 368 HG2 PRO 368 7.308 21.802 12.166 694 HG3 PRO 368 HG1 PRO 368 5.822 21.409 13.057 695 HD2 PRO 368 HD2 PRO 368 7.107 19.573 11.574 696 HD3 PRO 368 HD1 PRO 368 5.338 19.591 11.720 Start of MODEL 3 1 H ASP 16 HT1 ASP 16 -5.938 23.453 3.550 2 HA ASP 16 HA ASP 16 -5.469 22.923 6.420 3 HB2 ASP 16 HB2 ASP 16 -7.789 23.738 5.054 4 HB3 ASP 16 HB1 ASP 16 -7.987 22.009 5.328 5 H HIS 17 HN HIS 17 -6.883 20.606 6.576 6 HA HIS 17 HA HIS 17 -5.084 18.761 5.251 7 HB2 HIS 17 HB2 HIS 17 -7.211 18.473 7.358 8 HB3 HIS 17 HB1 HIS 17 -6.543 17.056 6.559 9 HD2 HIS 17 HD2 HIS 17 -3.893 16.456 7.168 10 HE1 HIS 17 HE1 HIS 17 -3.645 19.237 10.344 11 HE2 HIS 17 HE2 HIS 17 -2.449 17.368 9.122 12 H ILE 18 HN ILE 18 -5.931 16.823 4.162 13 HA ILE 18 HA ILE 18 -8.466 17.325 2.764 14 HB ILE 18 HB ILE 18 -6.519 17.927 1.324 15 HG12 ILE 18 HG12 ILE 18 -8.002 15.488 0.321 16 HG13 ILE 18 HG11 ILE 18 -8.691 17.107 0.393 17 HG21 ILE 18 HG21 ILE 18 -5.094 16.159 0.418 18 HG22 ILE 18 HG22 ILE 18 -5.856 14.993 1.498 19 HG23 ILE 18 HG23 ILE 18 -4.901 16.316 2.164 20 HD11 ILE 18 HD11 ILE 18 -6.311 16.255 -1.241 21 HD12 ILE 18 HD12 ILE 18 -6.955 17.896 -1.153 22 HD13 ILE 18 HD13 ILE 18 -7.934 16.599 -1.844 23 H ASN 19 HN ASN 19 -9.762 15.548 2.501 24 HA ASN 19 HA ASN 19 -8.814 13.108 3.830 25 HB2 ASN 19 HB2 ASN 19 -11.637 13.803 2.989 26 HB3 ASN 19 HB1 ASN 19 -11.142 12.490 4.053 27 HD21 ASN 19 HD21 ASN 19 -11.720 15.878 3.751 28 HD22 ASN 19 HD22 ASN 19 -11.622 16.257 5.441 29 H LEU 20 HN LEU 20 -7.993 11.593 2.544 30 HA LEU 20 HA LEU 20 -9.047 11.376 -0.195 31 HB2 LEU 20 HB2 LEU 20 -6.422 10.414 0.941 32 HB3 LEU 20 HB1 LEU 20 -6.952 10.167 -0.713 33 HG LEU 20 HG LEU 20 -6.340 12.823 0.593 34 HD11 LEU 20 HD11 LEU 20 -4.961 11.373 -1.658 35 HD12 LEU 20 HD12 LEU 20 -4.380 11.459 0.005 36 HD13 LEU 20 HD13 LEU 20 -4.500 12.927 -0.966 37 HD21 LEU 20 HD21 LEU 20 -6.705 13.756 -1.675 38 HD22 LEU 20 HD22 LEU 20 -8.176 13.122 -0.934 39 HD23 LEU 20 HD23 LEU 20 -7.343 12.191 -2.182 40 H LYS 21 HN LYS 21 -9.796 9.459 -0.982 41 HA LYS 21 HA LYS 21 -10.376 7.402 1.027 42 HB2 LYS 21 HB2 LYS 21 -11.554 7.827 -1.724 43 HB3 LYS 21 HB1 LYS 21 -12.055 6.593 -0.580 44 HG2 LYS 21 HG2 LYS 21 -12.962 8.216 0.895 45 HG3 LYS 21 HG1 LYS 21 -12.246 9.542 -0.032 46 HD2 LYS 21 HD2 LYS 21 -13.643 8.985 -1.944 47 HD3 LYS 21 HD1 LYS 21 -14.323 7.615 -1.069 48 HE2 LYS 21 HE2 LYS 21 -15.487 8.988 0.412 49 HE3 LYS 21 HE1 LYS 21 -14.511 10.400 0.012 50 HZ1 LYS 21 HZ1 LYS 21 -16.551 10.727 -1.053 51 HZ2 LYS 21 HZ2 LYS 21 -16.634 9.126 -1.607 52 HZ3 LYS 21 HZ3 LYS 21 -15.516 10.197 -2.287 53 H VAL 22 HN VAL 22 -8.816 5.895 1.067 54 HA VAL 22 HA VAL 22 -7.795 4.905 -1.510 55 HB VAL 22 HB VAL 22 -6.603 4.489 1.239 56 HG11 VAL 22 HG11 VAL 22 -6.084 2.697 -0.338 57 HG12 VAL 22 HG12 VAL 22 -4.653 3.654 0.046 58 HG13 VAL 22 HG13 VAL 22 -5.481 3.887 -1.494 59 HG21 VAL 22 HG21 VAL 22 -5.674 6.331 -0.958 60 HG22 VAL 22 HG22 VAL 22 -4.916 6.102 0.618 61 HG23 VAL 22 HG23 VAL 22 -6.514 6.840 0.507 62 H ALA 23 HN ALA 23 -8.630 3.035 -2.186 63 HA ALA 23 HA ALA 23 -9.760 1.226 -0.152 64 HB1 ALA 23 HB1 ALA 23 -11.512 0.616 -1.712 65 HB2 ALA 23 HB2 ALA 23 -10.843 1.709 -2.922 66 HB3 ALA 23 HB3 ALA 23 -11.519 2.356 -1.429 67 H GLY 24 HN GLY 24 -9.423 -0.906 -0.338 68 HA2 GLY 24 HA2 GLY 24 -7.411 -1.726 -2.320 69 HA3 GLY 24 HA1 GLY 24 -7.752 -2.541 -0.798 70 H GLN 25 HN GLN 25 -7.595 -4.011 -3.088 71 HA GLN 25 HA GLN 25 -10.087 -4.384 -4.400 72 HB2 GLN 25 HB2 GLN 25 -7.790 -6.334 -4.153 73 HB3 GLN 25 HB1 GLN 25 -9.081 -6.387 -5.347 74 HG2 GLN 25 HG2 GLN 25 -7.055 -4.180 -5.082 75 HG3 GLN 25 HG1 GLN 25 -6.976 -5.502 -6.246 76 HE21 GLN 25 HE21 GLN 25 -7.314 -2.482 -6.400 77 HE22 GLN 25 HE22 GLN 25 -8.653 -2.269 -7.482 78 H ASP 26 HN ASP 26 -9.204 -5.080 -1.285 79 HA ASP 26 HA ASP 26 -10.822 -7.505 -1.051 80 HB2 ASP 26 HB2 ASP 26 -9.929 -7.718 1.158 81 HB3 ASP 26 HB1 ASP 26 -8.584 -7.271 0.112 82 H GLY 27 HN GLY 27 -11.234 -4.199 -0.971 83 HA2 GLY 27 HA2 GLY 27 -13.391 -3.246 -0.681 84 HA3 GLY 27 HA1 GLY 27 -13.780 -4.527 0.452 85 H SER 28 HN SER 28 -10.716 -3.424 1.180 86 HA SER 28 HA SER 28 -11.645 -2.142 3.563 87 HB2 SER 28 HB2 SER 28 -9.192 -1.676 3.932 88 HB3 SER 28 HB1 SER 28 -9.586 -3.377 3.699 89 HG SER 28 HG SER 28 -8.659 -3.356 1.737 90 H VAL 29 HN VAL 29 -12.134 -0.064 3.857 91 HA VAL 29 HA VAL 29 -11.043 1.885 1.945 92 HB VAL 29 HB VAL 29 -13.417 1.731 1.572 93 HG11 VAL 29 HG11 VAL 29 -13.786 2.265 4.511 94 HG12 VAL 29 HG12 VAL 29 -14.131 0.757 3.667 95 HG13 VAL 29 HG13 VAL 29 -15.075 2.202 3.308 96 HG21 VAL 29 HG21 VAL 29 -14.108 4.047 2.047 97 HG22 VAL 29 HG22 VAL 29 -12.474 3.947 1.396 98 HG23 VAL 29 HG23 VAL 29 -12.719 4.223 3.120 99 H VAL 30 HN VAL 30 -9.683 3.289 2.807 100 HA VAL 30 HA VAL 30 -9.707 3.575 5.731 101 HB VAL 30 HB VAL 30 -7.408 4.377 5.566 102 HG11 VAL 30 HG11 VAL 30 -6.828 2.256 5.799 103 HG12 VAL 30 HG12 VAL 30 -6.844 2.055 4.044 104 HG13 VAL 30 HG13 VAL 30 -8.308 1.751 4.979 105 HG21 VAL 30 HG21 VAL 30 -7.735 3.892 2.617 106 HG22 VAL 30 HG22 VAL 30 -6.202 4.228 3.421 107 HG23 VAL 30 HG23 VAL 30 -7.478 5.445 3.407 108 H GLN 31 HN GLN 31 -9.460 5.548 6.724 109 HA GLN 31 HA GLN 31 -10.353 7.862 5.153 110 HB2 GLN 31 HB2 GLN 31 -11.685 7.172 7.175 111 HB3 GLN 31 HB1 GLN 31 -10.279 7.535 8.166 112 HG2 GLN 31 HG2 GLN 31 -10.376 9.867 7.447 113 HG3 GLN 31 HG1 GLN 31 -11.793 9.503 6.463 114 HE21 GLN 31 HE21 GLN 31 -11.461 11.353 8.707 115 HE22 GLN 31 HE22 GLN 31 -12.651 10.891 9.874 116 H PHE 32 HN PHE 32 -8.406 8.450 4.268 117 HA PHE 32 HA PHE 32 -6.041 8.739 5.892 118 HB2 PHE 32 HB2 PHE 32 -6.659 8.575 3.095 119 HB3 PHE 32 HB1 PHE 32 -5.663 9.994 3.394 120 HD1 PHE 32 HD1 PHE 32 -5.675 6.526 2.823 121 HD2 PHE 32 HD2 PHE 32 -3.530 9.600 4.834 122 HE1 PHE 32 HE1 PHE 32 -3.677 5.095 2.866 123 HE2 PHE 32 HE2 PHE 32 -1.527 8.170 4.884 124 HZ PHE 32 HZ PHE 32 -1.605 5.915 3.898 125 H LYS 33 HN LYS 33 -5.898 10.414 7.245 126 HA LYS 33 HA LYS 33 -6.901 13.017 6.377 127 HB2 LYS 33 HB2 LYS 33 -7.373 12.041 8.721 128 HB3 LYS 33 HB1 LYS 33 -5.697 12.445 9.074 129 HG2 LYS 33 HG2 LYS 33 -6.095 14.765 8.723 130 HG3 LYS 33 HG1 LYS 33 -7.702 14.450 8.070 131 HD2 LYS 33 HD2 LYS 33 -8.375 14.941 10.161 132 HD3 LYS 33 HD1 LYS 33 -7.911 13.272 10.493 133 HE2 LYS 33 HE2 LYS 33 -5.765 13.970 11.304 134 HE3 LYS 33 HE1 LYS 33 -6.073 15.637 10.816 135 HZ1 LYS 33 HZ1 LYS 33 -6.410 15.307 13.189 136 HZ2 LYS 33 HZ2 LYS 33 -7.599 14.142 12.879 137 HZ3 LYS 33 HZ3 LYS 33 -7.855 15.754 12.427 138 H ILE 34 HN ILE 34 -5.333 13.300 4.798 139 HA ILE 34 HA ILE 34 -2.599 13.774 5.786 140 HB ILE 34 HB ILE 34 -2.775 11.958 4.133 141 HG12 ILE 34 HG12 ILE 34 -1.465 14.375 2.870 142 HG13 ILE 34 HG11 ILE 34 -0.743 13.406 4.146 143 HG21 ILE 34 HG21 ILE 34 -4.770 12.658 2.974 144 HG22 ILE 34 HG22 ILE 34 -3.462 12.417 1.816 145 HG23 ILE 34 HG23 ILE 34 -3.924 14.050 2.298 146 HD11 ILE 34 HD11 ILE 34 0.166 12.778 2.004 147 HD12 ILE 34 HD12 ILE 34 -1.455 12.466 1.379 148 HD13 ILE 34 HD13 ILE 34 -0.792 11.451 2.661 149 H LYS 35 HN LYS 35 -1.443 15.555 4.460 150 HA LYS 35 HA LYS 35 -3.292 17.802 4.168 151 HB2 LYS 35 HB2 LYS 35 -0.462 17.530 4.900 152 HB3 LYS 35 HB1 LYS 35 -0.768 18.829 3.758 153 HG2 LYS 35 HG2 LYS 35 -2.518 19.686 5.333 154 HG3 LYS 35 HG1 LYS 35 -1.962 18.483 6.500 155 HD2 LYS 35 HD2 LYS 35 0.327 19.466 6.311 156 HD3 LYS 35 HD1 LYS 35 -0.360 20.742 5.306 157 HE2 LYS 35 HE2 LYS 35 -1.757 21.486 7.118 158 HE3 LYS 35 HE1 LYS 35 -1.243 20.127 8.118 159 HZ1 LYS 35 HZ1 LYS 35 1.053 21.023 7.958 160 HZ2 LYS 35 HZ2 LYS 35 -0.025 22.036 8.786 161 HZ3 LYS 35 HZ3 LYS 35 0.421 22.402 7.194 162 H ARG 36 HN ARG 36 -2.262 19.421 2.352 163 HA ARG 36 HA ARG 36 -2.554 17.856 -0.089 164 HB2 ARG 36 HB2 ARG 36 -2.539 20.856 0.259 165 HB3 ARG 36 HB1 ARG 36 -3.003 19.974 -1.190 166 HG2 ARG 36 HG2 ARG 36 -4.892 18.988 -0.003 167 HG3 ARG 36 HG1 ARG 36 -4.419 19.837 1.468 168 HD2 ARG 36 HD2 ARG 36 -6.215 21.033 0.414 169 HD3 ARG 36 HD1 ARG 36 -4.738 21.982 0.275 170 HE ARG 36 HE ARG 36 -4.627 21.399 -2.035 171 HH11 ARG 36 HH11 ARG 36 -7.622 20.445 -0.425 172 HH12 ARG 36 HH12 ARG 36 -8.527 20.292 -1.983 173 HH21 ARG 36 HH21 ARG 36 -5.755 21.200 -4.010 174 HH22 ARG 36 HH22 ARG 36 -7.502 20.724 -3.968 175 H HIS 37 HN HIS 37 -0.065 19.274 1.728 176 HA HIS 37 HA HIS 37 1.681 19.453 -0.624 177 HB2 HIS 37 HB2 HIS 37 3.055 20.920 0.539 178 HB3 HIS 37 HB1 HIS 37 1.470 21.332 1.173 179 HD2 HIS 37 HD2 HIS 37 0.960 20.123 3.779 180 HE1 HIS 37 HE1 HIS 37 5.090 19.907 4.649 181 HE2 HIS 37 HE2 HIS 37 2.763 19.485 5.540 182 H THR 38 HN THR 38 0.908 17.349 1.889 183 HA THR 38 HA THR 38 3.469 16.219 2.378 184 HB THR 38 HB THR 38 0.924 14.678 2.743 185 HG1 THR 38 HG1 THR 38 1.821 16.699 4.546 186 HG21 THR 38 HG21 THR 38 3.414 14.997 4.427 187 HG22 THR 38 HG22 THR 38 3.056 13.632 3.368 188 HG23 THR 38 HG23 THR 38 2.054 13.932 4.789 189 HA PRO 39 HA PRO 39 3.930 14.035 -1.489 190 HB2 PRO 39 HB2 PRO 39 5.733 12.327 0.142 191 HB3 PRO 39 HB1 PRO 39 6.059 13.191 -1.368 192 HG2 PRO 39 HG2 PRO 39 7.040 14.086 0.926 193 HG3 PRO 39 HG1 PRO 39 6.439 15.203 -0.315 194 HD2 PRO 39 HD2 PRO 39 5.144 14.351 2.236 195 HD3 PRO 39 HD1 PRO 39 5.147 15.939 1.442 196 H LEU 40 HN LEU 40 2.959 12.319 -2.390 197 HA LEU 40 HA LEU 40 1.196 10.721 -0.849 198 HB2 LEU 40 HB2 LEU 40 2.078 10.560 -3.723 199 HB3 LEU 40 HB1 LEU 40 0.892 9.469 -3.031 200 HG LEU 40 HG LEU 40 0.618 12.470 -3.251 201 HD11 LEU 40 HD11 LEU 40 -1.135 11.969 -4.862 202 HD12 LEU 40 HD12 LEU 40 -0.805 10.247 -4.700 203 HD13 LEU 40 HD13 LEU 40 0.413 11.314 -5.392 204 HD21 LEU 40 HD21 LEU 40 -1.239 10.377 -2.133 205 HD22 LEU 40 HD22 LEU 40 -1.726 12.026 -2.528 206 HD23 LEU 40 HD23 LEU 40 -0.517 11.738 -1.274 207 H SER 41 HN SER 41 4.486 10.466 -1.379 208 HA SER 41 HA SER 41 4.887 7.697 -1.535 209 HB2 SER 41 HB2 SER 41 6.911 8.997 0.059 210 HB3 SER 41 HB1 SER 41 7.026 8.391 -1.595 211 HG SER 41 HG SER 41 7.103 10.415 -2.150 212 H LYS 42 HN LYS 42 4.266 9.889 1.138 213 HA LYS 42 HA LYS 42 4.746 8.047 3.250 214 HB2 LYS 42 HB2 LYS 42 3.364 10.685 2.980 215 HB3 LYS 42 HB1 LYS 42 3.014 9.718 4.401 216 HG2 LYS 42 HG2 LYS 42 5.545 9.612 4.738 217 HG3 LYS 42 HG1 LYS 42 5.621 10.926 3.558 218 HD2 LYS 42 HD2 LYS 42 4.201 12.309 4.939 219 HD3 LYS 42 HD1 LYS 42 3.957 10.983 6.080 220 HE2 LYS 42 HE2 LYS 42 6.534 11.023 6.306 221 HE3 LYS 42 HE1 LYS 42 6.413 12.625 5.585 222 HZ1 LYS 42 HZ1 LYS 42 5.297 11.682 8.162 223 HZ2 LYS 42 HZ2 LYS 42 4.732 13.094 7.412 224 HZ3 LYS 42 HZ3 LYS 42 6.358 12.983 7.883 225 H LEU 43 HN LEU 43 1.945 9.007 1.384 226 HA LEU 43 HA LEU 43 -0.046 7.638 2.799 227 HB2 LEU 43 HB2 LEU 43 -0.309 9.426 1.031 228 HB3 LEU 43 HB1 LEU 43 -0.021 8.178 -0.164 229 HG LEU 43 HG LEU 43 -2.154 7.559 1.761 230 HD11 LEU 43 HD11 LEU 43 -2.511 9.952 1.533 231 HD12 LEU 43 HD12 LEU 43 -3.777 9.049 0.695 232 HD13 LEU 43 HD13 LEU 43 -2.476 9.806 -0.227 233 HD21 LEU 43 HD21 LEU 43 -1.912 7.473 -1.247 234 HD22 LEU 43 HD22 LEU 43 -3.282 6.859 -0.322 235 HD23 LEU 43 HD23 LEU 43 -1.690 6.126 -0.131 236 H MET 44 HN MET 44 1.914 6.648 0.017 237 HA MET 44 HA MET 44 0.688 4.141 -0.362 238 HB2 MET 44 HB2 MET 44 3.459 5.116 -1.067 239 HB3 MET 44 HB1 MET 44 2.823 3.557 -1.566 240 HG2 MET 44 HG2 MET 44 0.926 4.832 -2.648 241 HG3 MET 44 HG1 MET 44 1.884 6.286 -2.372 242 HE1 MET 44 HE1 MET 44 4.219 6.784 -3.547 243 HE2 MET 44 HE2 MET 44 5.080 5.589 -4.517 244 HE3 MET 44 HE3 MET 44 4.832 5.310 -2.792 245 H LYS 45 HN LYS 45 3.576 5.098 1.460 246 HA LYS 45 HA LYS 45 4.251 2.488 2.312 247 HB2 LYS 45 HB2 LYS 45 4.984 5.222 3.326 248 HB3 LYS 45 HB1 LYS 45 5.604 3.750 4.063 249 HG2 LYS 45 HG2 LYS 45 6.406 3.132 1.716 250 HG3 LYS 45 HG1 LYS 45 6.106 4.826 1.315 251 HD2 LYS 45 HD2 LYS 45 7.875 3.887 3.571 252 HD3 LYS 45 HD1 LYS 45 8.455 4.362 1.974 253 HE2 LYS 45 HE2 LYS 45 7.788 6.599 2.282 254 HE3 LYS 45 HE1 LYS 45 6.779 6.192 3.668 255 HZ1 LYS 45 HZ1 LYS 45 9.717 5.852 3.685 256 HZ2 LYS 45 HZ2 LYS 45 8.665 5.848 5.008 257 HZ3 LYS 45 HZ3 LYS 45 8.965 7.284 4.173 258 H ALA 46 HN ALA 46 2.325 5.062 3.794 259 HA ALA 46 HA ALA 46 2.000 3.918 6.324 260 HB1 ALA 46 HB1 ALA 46 1.381 6.209 5.899 261 HB2 ALA 46 HB2 ALA 46 -0.020 5.326 6.504 262 HB3 ALA 46 HB3 ALA 46 0.117 5.697 4.786 263 H TYR 47 HN TYR 47 -0.053 3.590 3.420 264 HA TYR 47 HA TYR 47 -1.896 1.820 4.657 265 HB2 TYR 47 HB2 TYR 47 -2.480 3.075 2.627 266 HB3 TYR 47 HB1 TYR 47 -1.260 2.190 1.718 267 HD1 TYR 47 HD1 TYR 47 -1.750 0.072 0.768 268 HD2 TYR 47 HD2 TYR 47 -4.470 1.822 3.537 269 HE1 TYR 47 HE1 TYR 47 -3.411 -1.655 0.224 270 HE2 TYR 47 HE2 TYR 47 -6.137 0.097 2.997 271 HH TYR 47 HH TYR 47 -6.684 -1.553 1.522 272 H CYS 48 HN CYS 48 1.118 1.393 2.942 273 HA CYS 48 HA CYS 48 1.014 -1.368 2.496 274 HB2 CYS 48 HB2 CYS 48 2.688 0.388 1.629 275 HB3 CYS 48 HB1 CYS 48 3.542 0.128 3.146 276 HG CYS 48 HG CYS 48 4.510 -2.269 2.631 277 H GLU 49 HN GLU 49 2.399 0.475 5.215 278 HA GLU 49 HA GLU 49 3.153 -1.851 6.682 279 HB2 GLU 49 HB2 GLU 49 2.685 0.958 7.704 280 HB3 GLU 49 HB1 GLU 49 3.583 -0.310 8.528 281 HG2 GLU 49 HG2 GLU 49 4.388 0.721 5.830 282 HG3 GLU 49 HG1 GLU 49 4.919 1.484 7.326 283 H ARG 50 HN ARG 50 0.278 0.078 6.444 284 HA ARG 50 HA ARG 50 -1.084 -0.662 8.767 285 HB2 ARG 50 HB2 ARG 50 -1.706 1.087 7.006 286 HB3 ARG 50 HB1 ARG 50 -2.388 -0.241 6.083 287 HG2 ARG 50 HG2 ARG 50 -4.264 0.422 7.143 288 HG3 ARG 50 HG1 ARG 50 -3.656 -0.670 8.387 289 HD2 ARG 50 HD2 ARG 50 -2.838 2.203 8.402 290 HD3 ARG 50 HD1 ARG 50 -4.421 1.739 9.025 291 HE ARG 50 HE ARG 50 -1.846 1.206 10.218 292 HH11 ARG 50 HH11 ARG 50 -5.272 0.374 10.072 293 HH12 ARG 50 HH12 ARG 50 -5.269 -0.358 11.722 294 HH21 ARG 50 HH21 ARG 50 -3.329 -0.388 12.976 295 HH22 ARG 50 HH22 ARG 50 -1.811 0.312 12.305 296 H GLN 51 HN GLN 51 -0.913 -2.224 5.600 297 HA GLN 51 HA GLN 51 -2.584 -4.432 6.517 298 HB2 GLN 51 HB2 GLN 51 -1.312 -3.935 3.821 299 HB3 GLN 51 HB1 GLN 51 -2.480 -5.198 4.190 300 HG2 GLN 51 HG2 GLN 51 -3.068 -2.275 4.540 301 HG3 GLN 51 HG1 GLN 51 -3.369 -3.142 3.036 302 HE21 GLN 51 HE21 GLN 51 -5.124 -4.427 2.869 303 HE22 GLN 51 HE22 GLN 51 -6.301 -4.634 4.115 304 H GLY 52 HN GLY 52 0.721 -3.646 6.247 305 HA2 GLY 52 HA2 GLY 52 2.552 -4.875 6.947 306 HA3 GLY 52 HA1 GLY 52 1.478 -6.233 7.249 307 H LEU 53 HN LEU 53 2.531 -4.345 4.428 308 HA LEU 53 HA LEU 53 3.340 -6.849 3.133 309 HB2 LEU 53 HB2 LEU 53 1.477 -4.770 1.999 310 HB3 LEU 53 HB1 LEU 53 2.343 -5.907 0.987 311 HG LEU 53 HG LEU 53 0.509 -6.807 3.197 312 HD11 LEU 53 HD11 LEU 53 -1.197 -7.145 1.459 313 HD12 LEU 53 HD12 LEU 53 -0.158 -6.315 0.298 314 HD13 LEU 53 HD13 LEU 53 -0.803 -5.441 1.687 315 HD21 LEU 53 HD21 LEU 53 2.049 -8.491 2.437 316 HD22 LEU 53 HD22 LEU 53 1.655 -8.151 0.753 317 HD23 LEU 53 HD23 LEU 53 0.443 -8.864 1.815 318 H SER 54 HN SER 54 4.247 -6.043 0.805 319 HA SER 54 HA SER 54 6.316 -4.075 1.470 320 HB2 SER 54 HB2 SER 54 7.263 -6.213 0.875 321 HB3 SER 54 HB1 SER 54 6.245 -6.320 -0.560 322 HG SER 54 HG SER 54 8.620 -4.996 -0.173 323 H MET 55 HN MET 55 6.610 -2.266 0.212 324 HA MET 55 HA MET 55 4.405 -1.431 -1.391 325 HB2 MET 55 HB2 MET 55 6.156 -0.031 0.025 326 HB3 MET 55 HB1 MET 55 7.019 0.007 -1.506 327 HG2 MET 55 HG2 MET 55 5.060 0.983 -2.591 328 HG3 MET 55 HG1 MET 55 4.194 0.947 -1.058 329 HE1 MET 55 HE1 MET 55 6.860 2.663 -3.253 330 HE2 MET 55 HE2 MET 55 7.911 1.954 -2.028 331 HE3 MET 55 HE3 MET 55 7.722 3.705 -2.123 332 H ARG 56 HN ARG 56 7.049 -3.354 -2.015 333 HA ARG 56 HA ARG 56 7.364 -2.644 -4.806 334 HB2 ARG 56 HB2 ARG 56 9.298 -3.428 -3.519 335 HB3 ARG 56 HB1 ARG 56 8.474 -4.940 -3.168 336 HG2 ARG 56 HG2 ARG 56 8.519 -5.530 -5.526 337 HG3 ARG 56 HG1 ARG 56 9.301 -3.994 -5.902 338 HD2 ARG 56 HD2 ARG 56 11.266 -4.599 -4.753 339 HD3 ARG 56 HD1 ARG 56 10.480 -5.975 -3.977 340 HE ARG 56 HE ARG 56 10.294 -6.823 -6.399 341 HH11 ARG 56 HH11 ARG 56 14.158 -5.625 -6.254 342 HH12 ARG 56 HH12 ARG 56 12.965 -4.948 -5.085 343 HH21 ARG 56 HH21 ARG 56 13.500 -7.190 -7.799 344 HH22 ARG 56 HH22 ARG 56 11.778 -7.729 -7.867 345 H GLN 57 HN GLN 57 5.285 -4.487 -2.911 346 HA GLN 57 HA GLN 57 4.600 -6.352 -5.060 347 HB2 GLN 57 HB2 GLN 57 4.943 -7.222 -2.763 348 HB3 GLN 57 HB1 GLN 57 3.590 -6.245 -2.214 349 HG2 GLN 57 HG2 GLN 57 2.056 -7.499 -3.545 350 HG3 GLN 57 HG1 GLN 57 3.377 -8.371 -4.326 351 HE21 GLN 57 HE21 GLN 57 1.064 -9.311 -2.740 352 HE22 GLN 57 HE22 GLN 57 1.746 -10.279 -1.473 353 H ILE 58 HN ILE 58 3.139 -3.781 -3.091 354 HA ILE 58 HA ILE 58 0.649 -4.026 -4.599 355 HB ILE 58 HB ILE 58 -0.187 -2.236 -3.068 356 HG12 ILE 58 HG12 ILE 58 2.416 -2.724 -1.602 357 HG13 ILE 58 HG11 ILE 58 2.037 -1.269 -2.522 358 HG21 ILE 58 HG21 ILE 58 -0.641 -4.575 -2.641 359 HG22 ILE 58 HG22 ILE 58 -0.368 -3.726 -1.119 360 HG23 ILE 58 HG23 ILE 58 0.902 -4.744 -1.799 361 HD11 ILE 58 HD11 ILE 58 0.586 -2.255 -0.079 362 HD12 ILE 58 HD12 ILE 58 0.172 -0.813 -1.005 363 HD13 ILE 58 HD13 ILE 58 1.714 -0.902 -0.153 364 H ARG 59 HN ARG 59 -0.365 -2.177 -5.570 365 HA ARG 59 HA ARG 59 1.502 -0.070 -6.446 366 HB2 ARG 59 HB2 ARG 59 -0.418 -1.617 -8.202 367 HB3 ARG 59 HB1 ARG 59 0.455 -0.180 -8.710 368 HG2 ARG 59 HG2 ARG 59 1.728 -2.764 -7.846 369 HG3 ARG 59 HG1 ARG 59 1.475 -2.254 -9.516 370 HD2 ARG 59 HD2 ARG 59 2.889 -0.295 -9.126 371 HD3 ARG 59 HD1 ARG 59 3.150 -0.812 -7.460 372 HE ARG 59 HE ARG 59 4.297 -1.977 -9.865 373 HH11 ARG 59 HH11 ARG 59 5.090 -3.381 -6.151 374 HH12 ARG 59 HH12 ARG 59 3.793 -2.146 -6.380 375 HH21 ARG 59 HH21 ARG 59 5.973 -3.516 -9.593 376 HH22 ARG 59 HH22 ARG 59 6.316 -4.134 -7.932 377 H PHE 60 HN PHE 60 0.582 1.955 -6.775 378 HA PHE 60 HA PHE 60 -2.236 2.196 -5.945 379 HB2 PHE 60 HB2 PHE 60 0.112 4.025 -5.426 380 HB3 PHE 60 HB1 PHE 60 -1.558 4.527 -5.199 381 HD1 PHE 60 HD1 PHE 60 0.888 1.940 -4.127 382 HD2 PHE 60 HD2 PHE 60 -2.623 4.150 -3.177 383 HE1 PHE 60 HE1 PHE 60 0.922 1.010 -1.850 384 HE2 PHE 60 HE2 PHE 60 -2.595 3.222 -0.899 385 HZ PHE 60 HZ PHE 60 -0.821 1.652 -0.232 386 H ARG 61 HN ARG 61 -3.593 3.365 -7.210 387 HA ARG 61 HA ARG 61 -2.415 4.762 -9.520 388 HB2 ARG 61 HB2 ARG 61 -4.740 2.853 -9.465 389 HB3 ARG 61 HB1 ARG 61 -4.531 4.024 -10.760 390 HG2 ARG 61 HG2 ARG 61 -2.249 3.032 -11.132 391 HG3 ARG 61 HG1 ARG 61 -2.725 1.747 -10.019 392 HD2 ARG 61 HD2 ARG 61 -4.712 1.331 -11.472 393 HD3 ARG 61 HD1 ARG 61 -4.035 2.475 -12.630 394 HE ARG 61 HE ARG 61 -2.776 -0.070 -11.846 395 HH11 ARG 61 HH11 ARG 61 -2.397 1.704 -15.461 396 HH12 ARG 61 HH12 ARG 61 -3.342 2.523 -14.163 397 HH21 ARG 61 HH21 ARG 61 -1.566 -1.123 -13.472 398 HH22 ARG 61 HH22 ARG 61 -1.412 -0.330 -15.080 399 H PHE 62 HN PHE 62 -3.331 6.639 -10.129 400 HA PHE 62 HA PHE 62 -5.580 7.627 -8.499 401 HB2 PHE 62 HB2 PHE 62 -3.739 8.941 -7.830 402 HB3 PHE 62 HB1 PHE 62 -3.085 9.022 -9.460 403 HD1 PHE 62 HD1 PHE 62 -6.205 9.985 -7.641 404 HD2 PHE 62 HD2 PHE 62 -3.285 11.023 -10.558 405 HE1 PHE 62 HE1 PHE 62 -7.320 12.150 -7.984 406 HE2 PHE 62 HE2 PHE 62 -4.394 13.191 -10.902 407 HZ PHE 62 HZ PHE 62 -6.416 13.755 -9.616 408 H ASP 63 HN ASP 63 -7.312 7.494 -9.754 409 HA ASP 63 HA ASP 63 -8.791 7.968 -11.408 410 HB2 ASP 63 HB2 ASP 63 -7.795 10.206 -11.546 411 HB3 ASP 63 HB1 ASP 63 -6.561 9.595 -12.647 412 H GLY 64 HN GLY 64 -5.573 7.017 -12.417 413 HA2 GLY 64 HA2 GLY 64 -6.358 4.683 -13.707 414 HA3 GLY 64 HA1 GLY 64 -6.270 5.936 -14.940 415 H GLN 65 HN GLN 65 -4.168 7.432 -13.847 416 HA GLN 65 HA GLN 65 -1.937 5.865 -14.763 417 HB2 GLN 65 HB2 GLN 65 -2.034 8.669 -13.633 418 HB3 GLN 65 HB1 GLN 65 -0.635 7.930 -14.393 419 HG2 GLN 65 HG2 GLN 65 -3.242 8.679 -15.679 420 HG3 GLN 65 HG1 GLN 65 -1.652 9.379 -15.973 421 HE21 GLN 65 HE21 GLN 65 -0.073 8.067 -17.055 422 HE22 GLN 65 HE22 GLN 65 -0.578 6.806 -18.126 423 HA PRO 66 HA PRO 66 -0.522 4.458 -10.814 424 HB2 PRO 66 HB2 PRO 66 2.115 4.129 -11.329 425 HB3 PRO 66 HB1 PRO 66 0.877 3.054 -11.995 426 HG2 PRO 66 HG2 PRO 66 2.278 5.339 -13.311 427 HG3 PRO 66 HG1 PRO 66 1.891 3.734 -13.962 428 HD2 PRO 66 HD2 PRO 66 0.409 5.926 -14.528 429 HD3 PRO 66 HD1 PRO 66 -0.288 4.297 -14.430 430 H ILE 67 HN ILE 67 0.482 5.178 -8.945 431 HA ILE 67 HA ILE 67 1.326 7.973 -8.988 432 HB ILE 67 HB ILE 67 0.767 6.176 -6.617 433 HG12 ILE 67 HG12 ILE 67 -0.963 8.279 -7.939 434 HG13 ILE 67 HG11 ILE 67 -1.242 6.543 -7.975 435 HG21 ILE 67 HG21 ILE 67 1.132 9.169 -6.765 436 HG22 ILE 67 HG22 ILE 67 2.274 8.016 -6.076 437 HG23 ILE 67 HG23 ILE 67 0.697 8.251 -5.322 438 HD11 ILE 67 HD11 ILE 67 -1.354 8.330 -5.561 439 HD12 ILE 67 HD12 ILE 67 -1.524 6.575 -5.528 440 HD13 ILE 67 HD13 ILE 67 -2.711 7.560 -6.382 441 H ASN 68 HN ASN 68 3.325 8.675 -8.412 442 HA ASN 68 HA ASN 68 5.389 6.605 -8.089 443 HB2 ASN 68 HB2 ASN 68 5.811 9.505 -8.832 444 HB3 ASN 68 HB1 ASN 68 6.972 8.189 -8.962 445 HD21 ASN 68 HD21 ASN 68 4.097 9.626 -10.293 446 HD22 ASN 68 HD22 ASN 68 4.168 8.821 -11.828 447 H GLU 69 HN GLU 69 7.359 7.503 -6.810 448 HA GLU 69 HA GLU 69 6.421 8.145 -4.173 449 HB2 GLU 69 HB2 GLU 69 9.251 7.931 -5.219 450 HB3 GLU 69 HB1 GLU 69 8.788 8.007 -3.526 451 HG2 GLU 69 HG2 GLU 69 7.658 5.875 -3.707 452 HG3 GLU 69 HG1 GLU 69 8.027 5.801 -5.430 453 H THR 70 HN THR 70 7.180 9.966 -6.856 454 HA THR 70 HA THR 70 7.929 12.314 -5.247 455 HB THR 70 HB THR 70 8.198 12.441 -8.190 456 HG1 THR 70 HG1 THR 70 9.883 10.789 -6.578 457 HG21 THR 70 HG21 THR 70 8.966 14.253 -6.721 458 HG22 THR 70 HG22 THR 70 10.316 13.531 -7.599 459 HG23 THR 70 HG23 THR 70 10.050 13.129 -5.902 460 H ASP 71 HN ASP 71 5.223 11.433 -5.439 461 HA ASP 71 HA ASP 71 4.059 13.574 -7.093 462 HB2 ASP 71 HB2 ASP 71 3.100 10.800 -6.494 463 HB3 ASP 71 HB1 ASP 71 1.928 12.070 -6.832 464 H THR 72 HN THR 72 2.240 14.675 -6.254 465 HA THR 72 HA THR 72 1.767 14.425 -3.377 466 HB THR 72 HB THR 72 1.710 17.142 -3.686 467 HG1 THR 72 HG1 THR 72 4.095 16.378 -5.006 468 HG21 THR 72 HG21 THR 72 4.116 15.503 -2.881 469 HG22 THR 72 HG22 THR 72 2.753 15.909 -1.838 470 HG23 THR 72 HG23 THR 72 3.810 17.182 -2.443 471 HA PRO 73 HA PRO 73 -2.511 14.912 -4.403 472 HB2 PRO 73 HB2 PRO 73 -2.691 16.947 -2.245 473 HB3 PRO 73 HB1 PRO 73 -3.612 15.452 -2.465 474 HG2 PRO 73 HG2 PRO 73 -1.721 15.614 -0.600 475 HG3 PRO 73 HG1 PRO 73 -1.972 14.125 -1.534 476 HD2 PRO 73 HD2 PRO 73 0.168 16.181 -1.803 477 HD3 PRO 73 HD1 PRO 73 0.257 14.420 -2.006 478 H ALA 74 HN ALA 74 -0.904 17.976 -3.551 479 HA ALA 74 HA ALA 74 -2.645 19.629 -5.047 480 HB1 ALA 74 HB1 ALA 74 -1.057 21.388 -4.653 481 HB2 ALA 74 HB2 ALA 74 0.201 20.221 -4.251 482 HB3 ALA 74 HB3 ALA 74 -1.197 20.408 -3.192 483 H GLN 75 HN GLN 75 0.465 18.127 -5.821 484 HA GLN 75 HA GLN 75 0.836 19.408 -8.311 485 HB2 GLN 75 HB2 GLN 75 2.570 18.160 -6.945 486 HB3 GLN 75 HB1 GLN 75 1.865 16.673 -7.562 487 HG2 GLN 75 HG2 GLN 75 3.722 17.118 -8.925 488 HG3 GLN 75 HG1 GLN 75 2.311 17.571 -9.877 489 HE21 GLN 75 HE21 GLN 75 3.364 18.997 -11.185 490 HE22 GLN 75 HE22 GLN 75 4.008 20.503 -10.626 491 H LEU 76 HN LEU 76 -0.910 16.524 -7.355 492 HA LEU 76 HA LEU 76 -1.448 15.799 -10.116 493 HB2 LEU 76 HB2 LEU 76 -2.252 14.575 -7.485 494 HB3 LEU 76 HB1 LEU 76 -2.839 13.982 -9.027 495 HG LEU 76 HG LEU 76 0.041 14.028 -8.116 496 HD11 LEU 76 HD11 LEU 76 -1.872 11.752 -8.607 497 HD12 LEU 76 HD12 LEU 76 -1.303 12.314 -7.033 498 HD13 LEU 76 HD13 LEU 76 -0.167 11.597 -8.179 499 HD21 LEU 76 HD21 LEU 76 0.056 14.398 -10.465 500 HD22 LEU 76 HD22 LEU 76 -1.212 13.198 -10.726 501 HD23 LEU 76 HD23 LEU 76 0.394 12.686 -10.212 502 H GLU 77 HN GLU 77 -2.621 18.068 -8.115 503 HA GLU 77 HA GLU 77 -4.492 19.326 -7.985 504 HB2 GLU 77 HB2 GLU 77 -4.891 18.090 -10.702 505 HB3 GLU 77 HB1 GLU 77 -6.026 19.253 -10.031 506 HG2 GLU 77 HG2 GLU 77 -3.090 19.788 -10.392 507 HG3 GLU 77 HG1 GLU 77 -4.325 20.218 -11.572 508 H MET 78 HN MET 78 -4.552 16.916 -6.620 509 HA MET 78 HA MET 78 -7.077 15.596 -7.038 510 HB2 MET 78 HB2 MET 78 -5.184 15.436 -4.683 511 HB3 MET 78 HB1 MET 78 -6.512 14.334 -5.022 512 HG2 MET 78 HG2 MET 78 -5.426 13.499 -6.963 513 HG3 MET 78 HG1 MET 78 -4.176 14.737 -6.865 514 HE1 MET 78 HE1 MET 78 -5.552 11.388 -5.557 515 HE2 MET 78 HE2 MET 78 -5.798 12.361 -4.104 516 HE3 MET 78 HE3 MET 78 -4.590 11.076 -4.111 517 H GLU 79 HN GLU 79 -8.785 15.541 -5.437 518 HA GLU 79 HA GLU 79 -8.895 17.992 -3.812 519 HB2 GLU 79 HB2 GLU 79 -10.711 17.111 -5.940 520 HB3 GLU 79 HB1 GLU 79 -11.525 17.554 -4.446 521 HG2 GLU 79 HG2 GLU 79 -9.816 19.246 -6.224 522 HG3 GLU 79 HG1 GLU 79 -11.469 19.525 -5.679 523 H ASP 80 HN ASP 80 -10.923 17.835 -2.321 524 HA ASP 80 HA ASP 80 -10.412 15.736 -0.510 525 HB2 ASP 80 HB2 ASP 80 -11.342 18.029 0.039 526 HB3 ASP 80 HB1 ASP 80 -12.896 17.449 -0.553 527 H GLU 81 HN GLU 81 -11.299 13.822 -0.209 528 HA GLU 81 HA GLU 81 -12.663 12.029 -0.339 529 HB2 GLU 81 HB2 GLU 81 -14.464 13.922 -1.823 530 HB3 GLU 81 HB1 GLU 81 -14.837 12.208 -1.685 531 HG2 GLU 81 HG2 GLU 81 -14.543 12.554 0.840 532 HG3 GLU 81 HG1 GLU 81 -14.677 14.274 0.475 533 H ASP 82 HN ASP 82 -10.652 13.037 -2.469 534 HA ASP 82 HA ASP 82 -11.353 11.775 -4.908 535 HB2 ASP 82 HB2 ASP 82 -9.281 13.371 -4.127 536 HB3 ASP 82 HB1 ASP 82 -8.482 11.804 -4.188 537 H THR 83 HN THR 83 -10.834 9.685 -5.679 538 HA THR 83 HA THR 83 -10.323 7.771 -3.507 539 HB THR 83 HB THR 83 -11.529 7.091 -6.184 540 HG1 THR 83 HG1 THR 83 -12.733 8.737 -4.918 541 HG21 THR 83 HG21 THR 83 -12.413 5.163 -4.984 542 HG22 THR 83 HG22 THR 83 -11.702 5.748 -3.480 543 HG23 THR 83 HG23 THR 83 -10.659 5.231 -4.806 544 H ILE 84 HN ILE 84 -8.596 6.548 -3.479 545 HA ILE 84 HA ILE 84 -6.872 6.428 -5.871 546 HB ILE 84 HB ILE 84 -6.114 6.085 -2.961 547 HG12 ILE 84 HG12 ILE 84 -5.417 8.323 -4.878 548 HG13 ILE 84 HG11 ILE 84 -6.644 8.425 -3.620 549 HG21 ILE 84 HG21 ILE 84 -3.796 6.057 -3.784 550 HG22 ILE 84 HG22 ILE 84 -4.397 6.070 -5.440 551 HG23 ILE 84 HG23 ILE 84 -4.739 4.697 -4.388 552 HD11 ILE 84 HD11 ILE 84 -3.688 8.043 -3.219 553 HD12 ILE 84 HD12 ILE 84 -4.892 8.030 -1.932 554 HD13 ILE 84 HD13 ILE 84 -4.629 9.495 -2.877 555 H ASP 85 HN ASP 85 -6.693 4.488 -6.810 556 HA ASP 85 HA ASP 85 -7.896 2.184 -5.481 557 HB2 ASP 85 HB2 ASP 85 -7.096 2.747 -8.331 558 HB3 ASP 85 HB1 ASP 85 -7.527 1.126 -7.793 559 H VAL 86 HN VAL 86 -6.793 0.501 -4.718 560 HA VAL 86 HA VAL 86 -3.881 0.464 -5.143 561 HB VAL 86 HB VAL 86 -5.407 -0.977 -2.970 562 HG11 VAL 86 HG11 VAL 86 -3.218 -1.127 -1.886 563 HG12 VAL 86 HG12 VAL 86 -2.481 -0.313 -3.265 564 HG13 VAL 86 HG13 VAL 86 -3.211 -1.905 -3.469 565 HG21 VAL 86 HG21 VAL 86 -4.706 0.801 -1.454 566 HG22 VAL 86 HG22 VAL 86 -5.747 1.426 -2.735 567 HG23 VAL 86 HG23 VAL 86 -4.003 1.684 -2.812 568 H PHE 87 HN PHE 87 -2.971 -1.168 -6.199 569 HA PHE 87 HA PHE 87 -4.588 -3.584 -6.721 570 HB2 PHE 87 HB2 PHE 87 -2.742 -2.090 -8.599 571 HB3 PHE 87 HB1 PHE 87 -3.355 -3.706 -8.925 572 HD1 PHE 87 HD1 PHE 87 -5.758 -4.055 -9.329 573 HD2 PHE 87 HD2 PHE 87 -4.101 -0.162 -8.889 574 HE1 PHE 87 HE1 PHE 87 -7.778 -3.084 -10.348 575 HE2 PHE 87 HE2 PHE 87 -6.119 0.818 -9.902 576 HZ PHE 87 HZ PHE 87 -7.959 -0.644 -10.635 577 H GLN 88 HN GLN 88 -3.053 -5.409 -7.536 578 HA GLN 88 HA GLN 88 -0.607 -5.382 -5.892 579 HB2 GLN 88 HB2 GLN 88 -2.650 -7.558 -6.283 580 HB3 GLN 88 HB1 GLN 88 -1.008 -7.928 -5.782 581 HG2 GLN 88 HG2 GLN 88 -2.000 -5.847 -4.123 582 HG3 GLN 88 HG1 GLN 88 -3.201 -7.134 -4.188 583 HE21 GLN 88 HE21 GLN 88 -2.872 -7.803 -2.092 584 HE22 GLN 88 HE22 GLN 88 -1.428 -8.602 -1.578 585 H GLN 89 HN GLN 89 1.218 -6.264 -6.780 586 HA GLN 89 HA GLN 89 1.343 -6.336 -9.633 587 HB2 GLN 89 HB2 GLN 89 3.159 -5.517 -8.063 588 HB3 GLN 89 HB1 GLN 89 3.479 -7.203 -7.681 589 HG2 GLN 89 HG2 GLN 89 5.062 -6.479 -9.310 590 HG3 GLN 89 HG1 GLN 89 3.944 -7.604 -10.082 591 HE21 GLN 89 HE21 GLN 89 4.467 -6.776 -12.116 592 HE22 GLN 89 HE22 GLN 89 3.870 -5.247 -12.654 593 H GLN 90 HN GLN 90 1.818 -8.090 -10.964 594 HA GLN 90 HA GLN 90 0.637 -10.550 -10.263 595 HB2 GLN 90 HB2 GLN 90 2.302 -9.628 -12.584 596 HB3 GLN 90 HB1 GLN 90 1.852 -11.318 -12.427 597 HG2 GLN 90 HG2 GLN 90 0.257 -10.358 -13.853 598 HG3 GLN 90 HG1 GLN 90 -0.548 -10.540 -12.297 599 HE21 GLN 90 HE21 GLN 90 -2.052 -8.958 -12.899 600 HE22 GLN 90 HE22 GLN 90 -1.652 -7.276 -12.895 601 H THR 91 HN THR 91 1.428 -12.087 -9.017 602 HA THR 91 HA THR 91 4.177 -12.112 -8.212 603 HB THR 91 HB THR 91 2.709 -14.530 -7.557 604 HG1 THR 91 HG1 THR 91 1.521 -12.154 -6.573 605 HG21 THR 91 HG21 THR 91 3.657 -12.234 -5.835 606 HG22 THR 91 HG22 THR 91 4.645 -13.617 -6.309 607 HG23 THR 91 HG23 THR 91 3.230 -13.855 -5.282 608 H GLY 92 HN GLY 92 2.160 -14.009 -10.383 609 HA2 GLY 92 HA2 GLY 92 4.488 -15.682 -11.041 610 HA3 GLY 92 HA1 GLY 92 2.811 -16.107 -11.362 611 H ASN 357 HT1 ASN 357 -19.585 -4.257 4.952 612 HA ASN 357 HA ASN 357 -17.736 -2.680 4.524 613 HB2 ASN 357 HB2 ASN 357 -20.067 -1.979 5.140 614 HB3 ASN 357 HB1 ASN 357 -19.569 -1.951 6.826 615 HD21 ASN 357 HD21 ASN 357 -20.280 0.256 6.727 616 HD22 ASN 357 HD22 ASN 357 -19.208 1.476 6.130 617 H ASN 358 HN ASN 358 -15.682 -2.471 5.079 618 HA ASN 358 HA ASN 358 -14.961 -2.567 7.940 619 HB2 ASN 358 HB2 ASN 358 -14.025 -4.496 6.853 620 HB3 ASN 358 HB1 ASN 358 -13.455 -3.525 5.500 621 HD21 ASN 358 HD21 ASN 358 -11.342 -4.030 5.638 622 HD22 ASN 358 HD22 ASN 358 -10.324 -3.587 6.964 623 H ARG 359 HN ARG 359 -14.051 -0.751 8.713 624 HA ARG 359 HA ARG 359 -12.946 1.127 6.746 625 HB2 ARG 359 HB2 ARG 359 -13.652 2.982 8.228 626 HB3 ARG 359 HB1 ARG 359 -14.992 2.077 7.544 627 HG2 ARG 359 HG2 ARG 359 -15.304 0.907 9.650 628 HG3 ARG 359 HG1 ARG 359 -13.922 1.758 10.342 629 HD2 ARG 359 HD2 ARG 359 -15.037 3.819 10.312 630 HD3 ARG 359 HD1 ARG 359 -16.264 3.236 9.190 631 HE ARG 359 HE ARG 359 -16.336 1.758 11.601 632 HH11 ARG 359 HH11 ARG 359 -18.505 5.173 11.388 633 HH12 ARG 359 HH12 ARG 359 -17.119 4.918 10.268 634 HH21 ARG 359 HH21 ARG 359 -18.065 2.042 13.053 635 HH22 ARG 359 HH22 ARG 359 -19.039 3.556 12.960 636 H ASP 360 HN ASP 360 -10.987 1.757 7.018 637 HA ASP 360 HA ASP 360 -9.638 1.185 9.564 638 HB2 ASP 360 HB2 ASP 360 -8.938 -0.317 7.711 639 HB3 ASP 360 HB1 ASP 360 -8.426 1.090 6.795 640 HA PRO 361 HA PRO 361 -8.602 5.495 9.029 641 HB2 PRO 361 HB2 PRO 361 -8.120 6.009 11.611 642 HB3 PRO 361 HB1 PRO 361 -9.742 5.586 11.050 643 HG2 PRO 361 HG2 PRO 361 -7.910 4.010 12.698 644 HG3 PRO 361 HG1 PRO 361 -9.648 3.796 12.430 645 HD2 PRO 361 HD2 PRO 361 -7.408 2.443 11.112 646 HD3 PRO 361 HD1 PRO 361 -9.142 2.039 11.104 647 H ILE 362 HN ILE 362 -6.807 6.371 8.315 648 HA ILE 362 HA ILE 362 -4.242 5.573 9.497 649 HB ILE 362 HB ILE 362 -4.635 6.414 6.621 650 HG12 ILE 362 HG12 ILE 362 -4.381 3.669 7.867 651 HG13 ILE 362 HG11 ILE 362 -5.727 4.277 6.914 652 HG21 ILE 362 HG21 ILE 362 -2.341 5.575 6.351 653 HG22 ILE 362 HG22 ILE 362 -2.270 5.233 8.077 654 HG23 ILE 362 HG23 ILE 362 -2.421 6.896 7.515 655 HD11 ILE 362 HD11 ILE 362 -2.961 3.907 5.802 656 HD12 ILE 362 HD12 ILE 362 -4.456 4.199 4.917 657 HD13 ILE 362 HD13 ILE 362 -4.210 2.665 5.750 658 H VAL 363 HN VAL 363 -2.915 7.125 10.140 659 HA VAL 363 HA VAL 363 -3.756 9.919 9.724 660 HB VAL 363 HB VAL 363 -2.238 8.855 12.120 661 HG11 VAL 363 HG11 VAL 363 -2.891 11.017 13.123 662 HG12 VAL 363 HG12 VAL 363 -3.590 11.497 11.577 663 HG13 VAL 363 HG13 VAL 363 -1.855 11.201 11.707 664 HG21 VAL 363 HG21 VAL 363 -4.360 9.125 13.368 665 HG22 VAL 363 HG22 VAL 363 -4.434 7.857 12.145 666 HG23 VAL 363 HG23 VAL 363 -5.186 9.422 11.835 667 H ILE 364 HN ILE 364 -2.309 11.329 9.103 668 HA ILE 364 HA ILE 364 0.355 10.321 8.407 669 HB ILE 364 HB ILE 364 -1.498 11.366 6.693 670 HG12 ILE 364 HG12 ILE 364 0.451 11.678 5.138 671 HG13 ILE 364 HG11 ILE 364 1.517 11.411 6.511 672 HG21 ILE 364 HG21 ILE 364 -1.454 13.599 7.519 673 HG22 ILE 364 HG22 ILE 364 -0.557 13.597 6.002 674 HG23 ILE 364 HG23 ILE 364 0.309 13.625 7.533 675 HD11 ILE 364 HD11 ILE 364 -0.158 9.254 6.625 676 HD12 ILE 364 HD12 ILE 364 1.459 9.271 5.920 677 HD13 ILE 364 HD13 ILE 364 0.044 9.508 4.892 678 H SEP 365 HN SEP 365 2.130 11.543 8.841 679 HA SEP 365 HA SEP 365 1.718 13.547 10.940 680 HB2 SEP 365 HB1 SEP 365 3.437 12.520 12.003 681 HB3 SEP 365 HB2 SEP 365 4.452 12.616 10.566 682 H ASP 366 HN ASP 366 2.352 15.550 10.647 683 HA ASP 366 HA ASP 366 3.664 16.247 8.111 684 HB2 ASP 366 HB2 ASP 366 1.256 16.904 8.367 685 HB3 ASP 366 HB1 ASP 366 1.716 17.900 9.741 686 H SEP 367 HN SEP 367 5.546 17.189 8.274 687 HA SEP 367 HA SEP 367 6.471 18.176 10.845 688 HB2 SEP 367 HB1 SEP 367 8.691 18.123 9.827 689 HB3 SEP 367 HB2 SEP 367 7.985 17.801 8.243 690 HA PRO 368 HA PRO 368 5.414 22.337 9.667 691 HB2 PRO 368 HB2 PRO 368 7.026 23.524 11.593 692 HB3 PRO 368 HB1 PRO 368 5.355 23.005 11.838 693 HG2 PRO 368 HG2 PRO 368 7.877 21.637 12.599 694 HG3 PRO 368 HG1 PRO 368 6.315 21.686 13.440 695 HD2 PRO 368 HD2 PRO 368 7.115 19.529 12.059 696 HD3 PRO 368 HD1 PRO 368 5.410 20.011 12.149 Start of MODEL 4 1 H ASP 16 HT1 ASP 16 -4.293 22.966 5.497 2 HA ASP 16 HA ASP 16 -6.380 22.454 7.510 3 HB2 ASP 16 HB2 ASP 16 -6.629 22.899 4.529 4 HB3 ASP 16 HB1 ASP 16 -7.867 22.105 5.492 5 H HIS 17 HN HIS 17 -7.510 20.355 6.773 6 HA HIS 17 HA HIS 17 -5.443 18.464 5.869 7 HB2 HIS 17 HB2 HIS 17 -7.204 18.426 8.221 8 HB3 HIS 17 HB1 HIS 17 -7.223 16.929 7.297 9 HD2 HIS 17 HD2 HIS 17 -4.997 15.360 7.500 10 HE1 HIS 17 HE1 HIS 17 -2.866 17.960 10.068 11 HE2 HIS 17 HE2 HIS 17 -3.024 15.597 9.170 12 H ILE 18 HN ILE 18 -5.996 17.019 4.315 13 HA ILE 18 HA ILE 18 -8.630 17.419 3.074 14 HB ILE 18 HB ILE 18 -6.667 17.848 1.647 15 HG12 ILE 18 HG12 ILE 18 -8.190 15.380 0.784 16 HG13 ILE 18 HG11 ILE 18 -8.778 17.035 0.646 17 HG21 ILE 18 HG21 ILE 18 -5.264 15.964 0.893 18 HG22 ILE 18 HG22 ILE 18 -6.031 14.947 2.113 19 HG23 ILE 18 HG23 ILE 18 -5.069 16.340 2.605 20 HD11 ILE 18 HD11 ILE 18 -6.391 15.860 -0.757 21 HD12 ILE 18 HD12 ILE 18 -6.899 17.546 -0.854 22 HD13 ILE 18 HD13 ILE 18 -7.945 16.273 -1.479 23 H ASN 19 HN ASN 19 -9.934 15.659 2.540 24 HA ASN 19 HA ASN 19 -9.393 13.253 4.132 25 HB2 ASN 19 HB2 ASN 19 -11.575 14.553 4.336 26 HB3 ASN 19 HB1 ASN 19 -11.967 13.979 2.719 27 HD21 ASN 19 HD21 ASN 19 -13.362 13.504 5.184 28 HD22 ASN 19 HD22 ASN 19 -13.387 11.791 5.432 29 H LEU 20 HN LEU 20 -8.155 11.884 2.932 30 HA LEU 20 HA LEU 20 -8.956 11.434 0.143 31 HB2 LEU 20 HB2 LEU 20 -6.385 10.926 1.611 32 HB3 LEU 20 HB1 LEU 20 -6.719 10.171 0.064 33 HG LEU 20 HG LEU 20 -6.439 13.120 0.633 34 HD11 LEU 20 HD11 LEU 20 -4.877 11.229 -1.118 35 HD12 LEU 20 HD12 LEU 20 -4.346 11.906 0.421 36 HD13 LEU 20 HD13 LEU 20 -4.599 12.965 -0.967 37 HD21 LEU 20 HD21 LEU 20 -6.769 13.355 -1.853 38 HD22 LEU 20 HD22 LEU 20 -8.219 12.965 -0.929 39 HD23 LEU 20 HD23 LEU 20 -7.395 11.704 -1.847 40 H LYS 21 HN LYS 21 -9.657 9.507 -0.569 41 HA LYS 21 HA LYS 21 -10.044 7.431 1.481 42 HB2 LYS 21 HB2 LYS 21 -11.691 8.124 -0.955 43 HB3 LYS 21 HB1 LYS 21 -11.953 6.687 0.020 44 HG2 LYS 21 HG2 LYS 21 -12.559 7.995 1.918 45 HG3 LYS 21 HG1 LYS 21 -12.077 9.486 1.108 46 HD2 LYS 21 HD2 LYS 21 -13.850 9.241 -0.506 47 HD3 LYS 21 HD1 LYS 21 -14.274 7.661 0.149 48 HE2 LYS 21 HE2 LYS 21 -14.987 8.651 2.219 49 HE3 LYS 21 HE1 LYS 21 -14.414 10.235 1.704 50 HZ1 LYS 21 HZ1 LYS 21 -16.356 10.614 0.747 51 HZ2 LYS 21 HZ2 LYS 21 -16.929 9.118 1.300 52 HZ3 LYS 21 HZ3 LYS 21 -16.198 9.232 -0.220 53 H VAL 22 HN VAL 22 -8.724 5.781 1.242 54 HA VAL 22 HA VAL 22 -7.903 4.991 -1.475 55 HB VAL 22 HB VAL 22 -6.625 4.215 1.158 56 HG11 VAL 22 HG11 VAL 22 -6.286 2.577 -0.612 57 HG12 VAL 22 HG12 VAL 22 -4.781 3.410 -0.223 58 HG13 VAL 22 HG13 VAL 22 -5.681 3.843 -1.678 59 HG21 VAL 22 HG21 VAL 22 -4.853 5.767 0.626 60 HG22 VAL 22 HG22 VAL 22 -6.394 6.622 0.679 61 HG23 VAL 22 HG23 VAL 22 -5.662 6.220 -0.873 62 H ALA 23 HN ALA 23 -8.855 3.212 -2.273 63 HA ALA 23 HA ALA 23 -10.056 1.332 -0.343 64 HB1 ALA 23 HB1 ALA 23 -11.867 0.943 -1.873 65 HB2 ALA 23 HB2 ALA 23 -11.127 1.997 -3.077 66 HB3 ALA 23 HB3 ALA 23 -11.733 2.675 -1.564 67 H GLY 24 HN GLY 24 -9.371 -0.681 -0.436 68 HA2 GLY 24 HA2 GLY 24 -7.501 -1.485 -2.483 69 HA3 GLY 24 HA1 GLY 24 -8.023 -2.443 -1.104 70 H GLN 25 HN GLN 25 -7.742 -3.693 -3.494 71 HA GLN 25 HA GLN 25 -10.145 -3.723 -5.029 72 HB2 GLN 25 HB2 GLN 25 -7.902 -5.739 -4.891 73 HB3 GLN 25 HB1 GLN 25 -9.195 -5.749 -6.082 74 HG2 GLN 25 HG2 GLN 25 -7.034 -3.694 -5.736 75 HG3 GLN 25 HG1 GLN 25 -7.278 -4.787 -7.097 76 HE21 GLN 25 HE21 GLN 25 -7.279 -1.753 -6.610 77 HE22 GLN 25 HE22 GLN 25 -8.679 -1.211 -7.476 78 H ASP 26 HN ASP 26 -9.147 -5.167 -2.116 79 HA ASP 26 HA ASP 26 -10.934 -7.405 -2.175 80 HB2 ASP 26 HB2 ASP 26 -10.333 -7.656 0.208 81 HB3 ASP 26 HB1 ASP 26 -8.908 -7.489 -0.812 82 H GLY 27 HN GLY 27 -10.933 -4.204 -0.648 83 HA2 GLY 27 HA2 GLY 27 -13.363 -3.303 -0.918 84 HA3 GLY 27 HA1 GLY 27 -13.723 -4.631 0.172 85 H SER 28 HN SER 28 -10.726 -3.617 1.076 86 HA SER 28 HA SER 28 -11.798 -2.276 3.374 87 HB2 SER 28 HB2 SER 28 -9.210 -1.920 3.768 88 HB3 SER 28 HB1 SER 28 -9.946 -3.502 3.995 89 HG SER 28 HG SER 28 -9.046 -4.214 2.144 90 H VAL 29 HN VAL 29 -12.173 -0.186 3.590 91 HA VAL 29 HA VAL 29 -10.805 1.652 1.750 92 HB VAL 29 HB VAL 29 -13.217 1.597 1.321 93 HG11 VAL 29 HG11 VAL 29 -13.550 2.528 4.170 94 HG12 VAL 29 HG12 VAL 29 -14.017 0.950 3.531 95 HG13 VAL 29 HG13 VAL 29 -14.831 2.409 2.960 96 HG21 VAL 29 HG21 VAL 29 -13.663 3.995 1.478 97 HG22 VAL 29 HG22 VAL 29 -12.010 3.677 0.950 98 HG23 VAL 29 HG23 VAL 29 -12.324 4.171 2.613 99 H VAL 30 HN VAL 30 -9.479 3.061 2.635 100 HA VAL 30 HA VAL 30 -9.628 3.419 5.556 101 HB VAL 30 HB VAL 30 -7.233 3.999 5.476 102 HG11 VAL 30 HG11 VAL 30 -6.809 1.879 5.915 103 HG12 VAL 30 HG12 VAL 30 -6.923 1.458 4.204 104 HG13 VAL 30 HG13 VAL 30 -8.373 1.453 5.211 105 HG21 VAL 30 HG21 VAL 30 -7.099 4.805 3.184 106 HG22 VAL 30 HG22 VAL 30 -7.391 3.172 2.586 107 HG23 VAL 30 HG23 VAL 30 -5.913 3.533 3.475 108 H GLN 31 HN GLN 31 -9.539 5.426 6.431 109 HA GLN 31 HA GLN 31 -9.924 7.675 4.597 110 HB2 GLN 31 HB2 GLN 31 -11.510 7.199 6.562 111 HB3 GLN 31 HB1 GLN 31 -10.201 7.741 7.606 112 HG2 GLN 31 HG2 GLN 31 -10.189 9.887 6.303 113 HG3 GLN 31 HG1 GLN 31 -11.661 9.328 5.513 114 HE21 GLN 31 HE21 GLN 31 -11.329 11.667 7.127 115 HE22 GLN 31 HE22 GLN 31 -12.405 11.507 8.472 116 H PHE 32 HN PHE 32 -8.125 8.700 4.042 117 HA PHE 32 HA PHE 32 -5.823 8.596 5.829 118 HB2 PHE 32 HB2 PHE 32 -6.212 8.800 2.956 119 HB3 PHE 32 HB1 PHE 32 -5.051 9.981 3.553 120 HD1 PHE 32 HD1 PHE 32 -5.687 6.508 2.833 121 HD2 PHE 32 HD2 PHE 32 -3.037 9.206 4.779 122 HE1 PHE 32 HE1 PHE 32 -3.958 4.761 2.890 123 HE2 PHE 32 HE2 PHE 32 -1.301 7.464 4.839 124 HZ PHE 32 HZ PHE 32 -1.761 5.237 3.895 125 H LYS 33 HN LYS 33 -5.515 10.142 7.223 126 HA LYS 33 HA LYS 33 -6.613 12.806 6.782 127 HB2 LYS 33 HB2 LYS 33 -5.539 11.296 9.115 128 HB3 LYS 33 HB1 LYS 33 -5.366 13.043 9.142 129 HG2 LYS 33 HG2 LYS 33 -7.851 13.167 8.712 130 HG3 LYS 33 HG1 LYS 33 -7.894 11.433 9.048 131 HD2 LYS 33 HD2 LYS 33 -7.092 11.759 11.266 132 HD3 LYS 33 HD1 LYS 33 -6.699 13.449 10.941 133 HE2 LYS 33 HE2 LYS 33 -9.184 13.774 10.494 134 HE3 LYS 33 HE1 LYS 33 -9.409 12.181 11.216 135 HZ1 LYS 33 HZ1 LYS 33 -9.698 14.004 12.810 136 HZ2 LYS 33 HZ2 LYS 33 -8.093 14.473 12.566 137 HZ3 LYS 33 HZ3 LYS 33 -8.441 12.968 13.249 138 H ILE 34 HN ILE 34 -5.200 13.466 5.065 139 HA ILE 34 HA ILE 34 -2.484 14.067 6.014 140 HB ILE 34 HB ILE 34 -1.471 13.512 4.006 141 HG12 ILE 34 HG12 ILE 34 -4.081 13.297 2.519 142 HG13 ILE 34 HG11 ILE 34 -3.209 14.823 2.657 143 HG21 ILE 34 HG21 ILE 34 -3.354 11.432 3.383 144 HG22 ILE 34 HG22 ILE 34 -3.166 11.604 5.127 145 HG23 ILE 34 HG23 ILE 34 -1.753 11.320 4.114 146 HD11 ILE 34 HD11 ILE 34 -2.702 13.718 0.566 147 HD12 ILE 34 HD12 ILE 34 -2.147 12.289 1.438 148 HD13 ILE 34 HD13 ILE 34 -1.267 13.811 1.587 149 H LYS 35 HN LYS 35 -1.480 15.831 4.393 150 HA LYS 35 HA LYS 35 -3.473 17.990 4.291 151 HB2 LYS 35 HB2 LYS 35 -0.459 18.061 4.452 152 HB3 LYS 35 HB1 LYS 35 -1.439 19.485 4.142 153 HG2 LYS 35 HG2 LYS 35 -2.636 18.533 6.372 154 HG3 LYS 35 HG1 LYS 35 -0.968 18.026 6.643 155 HD2 LYS 35 HD2 LYS 35 -0.228 20.344 6.209 156 HD3 LYS 35 HD1 LYS 35 -1.917 20.827 6.039 157 HE2 LYS 35 HE2 LYS 35 -1.535 21.365 8.237 158 HE3 LYS 35 HE1 LYS 35 -2.147 19.722 8.404 159 HZ1 LYS 35 HZ1 LYS 35 0.637 19.624 8.024 160 HZ2 LYS 35 HZ2 LYS 35 -0.264 19.148 9.378 161 HZ3 LYS 35 HZ3 LYS 35 0.299 20.736 9.258 162 H ARG 36 HN ARG 36 -2.887 19.683 2.511 163 HA ARG 36 HA ARG 36 -3.019 18.237 0.013 164 HB2 ARG 36 HB2 ARG 36 -3.452 21.086 0.823 165 HB3 ARG 36 HB1 ARG 36 -3.261 20.675 -0.876 166 HG2 ARG 36 HG2 ARG 36 -5.157 19.181 -0.769 167 HG3 ARG 36 HG1 ARG 36 -5.323 19.480 0.962 168 HD2 ARG 36 HD2 ARG 36 -6.346 21.460 0.653 169 HD3 ARG 36 HD1 ARG 36 -5.306 21.897 -0.703 170 HE ARG 36 HE ARG 36 -6.835 20.991 -2.161 171 HH11 ARG 36 HH11 ARG 36 -7.719 20.196 1.151 172 HH12 ARG 36 HH12 ARG 36 -9.329 19.507 0.686 173 HH21 ARG 36 HH21 ARG 36 -8.864 20.159 -2.796 174 HH22 ARG 36 HH22 ARG 36 -9.972 19.513 -1.522 175 H HIS 37 HN HIS 37 -0.422 18.515 1.569 176 HA HIS 37 HA HIS 37 1.177 19.231 -0.765 177 HB2 HIS 37 HB2 HIS 37 2.632 20.709 0.359 178 HB3 HIS 37 HB1 HIS 37 1.020 21.215 0.844 179 HD2 HIS 37 HD2 HIS 37 0.306 20.344 3.507 180 HE1 HIS 37 HE1 HIS 37 4.359 20.014 4.650 181 HE2 HIS 37 HE2 HIS 37 1.966 19.818 5.434 182 H THR 38 HN THR 38 0.652 17.318 2.017 183 HA THR 38 HA THR 38 3.216 16.246 2.408 184 HB THR 38 HB THR 38 0.697 14.674 2.875 185 HG1 THR 38 HG1 THR 38 1.691 16.677 4.659 186 HG21 THR 38 HG21 THR 38 3.275 14.958 4.420 187 HG22 THR 38 HG22 THR 38 2.815 13.589 3.412 188 HG23 THR 38 HG23 THR 38 1.910 13.944 4.883 189 HA PRO 39 HA PRO 39 3.817 14.058 -1.437 190 HB2 PRO 39 HB2 PRO 39 5.565 12.427 0.338 191 HB3 PRO 39 HB1 PRO 39 5.930 13.174 -1.226 192 HG2 PRO 39 HG2 PRO 39 6.848 14.257 1.012 193 HG3 PRO 39 HG1 PRO 39 6.250 15.271 -0.315 194 HD2 PRO 39 HD2 PRO 39 4.956 14.614 2.281 195 HD3 PRO 39 HD1 PRO 39 4.892 16.109 1.326 196 H LEU 40 HN LEU 40 2.914 12.347 -2.394 197 HA LEU 40 HA LEU 40 1.139 10.675 -0.943 198 HB2 LEU 40 HB2 LEU 40 2.110 10.691 -3.788 199 HB3 LEU 40 HB1 LEU 40 1.034 9.440 -3.197 200 HG LEU 40 HG LEU 40 0.352 12.367 -3.001 201 HD11 LEU 40 HD11 LEU 40 -1.072 11.958 -5.007 202 HD12 LEU 40 HD12 LEU 40 -0.215 10.435 -5.238 203 HD13 LEU 40 HD13 LEU 40 0.661 11.962 -5.329 204 HD21 LEU 40 HD21 LEU 40 -1.304 9.848 -2.898 205 HD22 LEU 40 HD22 LEU 40 -1.939 11.493 -2.841 206 HD23 LEU 40 HD23 LEU 40 -0.908 10.898 -1.539 207 H SER 41 HN SER 41 4.461 10.514 -1.583 208 HA SER 41 HA SER 41 4.926 7.759 -1.665 209 HB2 SER 41 HB2 SER 41 6.928 9.334 -0.207 210 HB3 SER 41 HB1 SER 41 7.091 8.416 -1.706 211 HG SER 41 HG SER 41 7.134 10.313 -2.613 212 H LYS 42 HN LYS 42 4.539 10.032 1.006 213 HA LYS 42 HA LYS 42 5.116 8.202 3.103 214 HB2 LYS 42 HB2 LYS 42 4.193 10.950 2.843 215 HB3 LYS 42 HB1 LYS 42 3.323 10.109 4.115 216 HG2 LYS 42 HG2 LYS 42 5.610 9.411 4.991 217 HG3 LYS 42 HG1 LYS 42 6.269 10.627 3.896 218 HD2 LYS 42 HD2 LYS 42 4.845 12.331 4.980 219 HD3 LYS 42 HD1 LYS 42 4.269 11.105 6.112 220 HE2 LYS 42 HE2 LYS 42 6.756 10.743 6.666 221 HE3 LYS 42 HE1 LYS 42 7.026 12.276 5.844 222 HZ1 LYS 42 HZ1 LYS 42 6.571 13.239 7.779 223 HZ2 LYS 42 HZ2 LYS 42 6.028 11.783 8.468 224 HZ3 LYS 42 HZ3 LYS 42 4.958 12.755 7.583 225 H LEU 43 HN LEU 43 2.260 9.117 1.326 226 HA LEU 43 HA LEU 43 0.324 7.860 2.944 227 HB2 LEU 43 HB2 LEU 43 -0.036 9.595 1.125 228 HB3 LEU 43 HB1 LEU 43 0.143 8.290 -0.029 229 HG LEU 43 HG LEU 43 -1.862 7.863 2.099 230 HD11 LEU 43 HD11 LEU 43 -2.264 10.199 1.621 231 HD12 LEU 43 HD12 LEU 43 -3.537 9.220 0.892 232 HD13 LEU 43 HD13 LEU 43 -2.249 9.879 -0.113 233 HD21 LEU 43 HD21 LEU 43 -1.856 7.456 -0.893 234 HD22 LEU 43 HD22 LEU 43 -3.108 6.912 0.218 235 HD23 LEU 43 HD23 LEU 43 -1.485 6.233 0.319 236 H MET 44 HN MET 44 2.106 6.773 0.083 237 HA MET 44 HA MET 44 0.859 4.269 -0.174 238 HB2 MET 44 HB2 MET 44 3.602 5.231 -0.987 239 HB3 MET 44 HB1 MET 44 3.002 3.626 -1.381 240 HG2 MET 44 HG2 MET 44 1.044 4.780 -2.493 241 HG3 MET 44 HG1 MET 44 1.950 6.281 -2.311 242 HE1 MET 44 HE1 MET 44 4.066 6.915 -3.640 243 HE2 MET 44 HE2 MET 44 5.013 5.790 -4.611 244 HE3 MET 44 HE3 MET 44 4.925 5.585 -2.861 245 H LYS 45 HN LYS 45 3.745 5.269 1.618 246 HA LYS 45 HA LYS 45 4.425 2.673 2.527 247 HB2 LYS 45 HB2 LYS 45 5.093 5.373 3.708 248 HB3 LYS 45 HB1 LYS 45 5.849 3.852 4.166 249 HG2 LYS 45 HG2 LYS 45 6.652 3.600 1.841 250 HG3 LYS 45 HG1 LYS 45 5.981 5.191 1.473 251 HD2 LYS 45 HD2 LYS 45 7.422 6.167 3.218 252 HD3 LYS 45 HD1 LYS 45 8.126 4.574 3.498 253 HE2 LYS 45 HE2 LYS 45 8.721 4.572 1.030 254 HE3 LYS 45 HE1 LYS 45 8.313 6.286 1.039 255 HZ1 LYS 45 HZ1 LYS 45 9.968 6.561 2.839 256 HZ2 LYS 45 HZ2 LYS 45 10.639 6.065 1.373 257 HZ3 LYS 45 HZ3 LYS 45 10.430 4.950 2.624 258 H ALA 46 HN ALA 46 2.494 5.287 3.939 259 HA ALA 46 HA ALA 46 2.082 4.187 6.466 260 HB1 ALA 46 HB1 ALA 46 1.468 6.476 5.912 261 HB2 ALA 46 HB2 ALA 46 0.091 5.605 6.589 262 HB3 ALA 46 HB3 ALA 46 0.187 5.887 4.850 263 H TYR 47 HN TYR 47 0.060 3.855 3.541 264 HA TYR 47 HA TYR 47 -1.804 2.088 4.722 265 HB2 TYR 47 HB2 TYR 47 -2.361 3.290 2.692 266 HB3 TYR 47 HB1 TYR 47 -1.060 2.489 1.815 267 HD1 TYR 47 HD1 TYR 47 -1.417 0.376 0.788 268 HD2 TYR 47 HD2 TYR 47 -4.321 1.914 3.496 269 HE1 TYR 47 HE1 TYR 47 -2.966 -1.415 0.139 270 HE2 TYR 47 HE2 TYR 47 -5.875 0.120 2.848 271 HH TYR 47 HH TYR 47 -6.285 -1.470 1.225 272 H CYS 48 HN CYS 48 1.227 1.595 3.035 273 HA CYS 48 HA CYS 48 1.085 -1.175 2.675 274 HB2 CYS 48 HB2 CYS 48 2.854 0.727 1.968 275 HB3 CYS 48 HB1 CYS 48 3.731 -0.000 3.311 276 HG CYS 48 HG CYS 48 4.080 -2.428 2.232 277 H GLU 49 HN GLU 49 2.342 0.763 5.354 278 HA GLU 49 HA GLU 49 3.178 -1.462 6.929 279 HB2 GLU 49 HB2 GLU 49 2.619 1.421 7.646 280 HB3 GLU 49 HB1 GLU 49 3.302 0.248 8.763 281 HG2 GLU 49 HG2 GLU 49 4.612 0.760 6.127 282 HG3 GLU 49 HG1 GLU 49 4.867 1.856 7.482 283 H ARG 50 HN ARG 50 0.201 0.235 6.485 284 HA ARG 50 HA ARG 50 -1.147 -0.493 8.854 285 HB2 ARG 50 HB2 ARG 50 -1.789 1.241 7.066 286 HB3 ARG 50 HB1 ARG 50 -2.451 -0.109 6.162 287 HG2 ARG 50 HG2 ARG 50 -4.304 0.719 7.243 288 HG3 ARG 50 HG1 ARG 50 -3.807 -0.579 8.326 289 HD2 ARG 50 HD2 ARG 50 -2.766 2.181 8.764 290 HD3 ARG 50 HD1 ARG 50 -4.407 1.778 9.271 291 HE ARG 50 HE ARG 50 -1.948 0.920 10.487 292 HH11 ARG 50 HH11 ARG 50 -5.367 0.185 9.995 293 HH12 ARG 50 HH12 ARG 50 -5.471 -0.782 11.518 294 HH21 ARG 50 HH21 ARG 50 -3.639 -1.056 12.859 295 HH22 ARG 50 HH22 ARG 50 -2.055 -0.317 12.404 296 H GLN 51 HN GLN 51 -0.892 -2.019 5.674 297 HA GLN 51 HA GLN 51 -2.497 -4.287 6.550 298 HB2 GLN 51 HB2 GLN 51 -1.142 -3.865 3.883 299 HB3 GLN 51 HB1 GLN 51 -2.422 -5.013 4.251 300 HG2 GLN 51 HG2 GLN 51 -2.788 -2.041 4.496 301 HG3 GLN 51 HG1 GLN 51 -3.100 -2.926 3.003 302 HE21 GLN 51 HE21 GLN 51 -4.951 -4.062 2.797 303 HE22 GLN 51 HE22 GLN 51 -6.190 -4.124 3.998 304 H GLY 52 HN GLY 52 0.776 -3.385 6.400 305 HA2 GLY 52 HA2 GLY 52 2.654 -4.521 7.099 306 HA3 GLY 52 HA1 GLY 52 1.629 -5.906 7.453 307 H LEU 53 HN LEU 53 2.358 -4.137 4.453 308 HA LEU 53 HA LEU 53 3.368 -6.656 3.304 309 HB2 LEU 53 HB2 LEU 53 1.647 -4.648 1.846 310 HB3 LEU 53 HB1 LEU 53 2.252 -6.164 1.210 311 HG LEU 53 HG LEU 53 0.313 -5.990 3.515 312 HD11 LEU 53 HD11 LEU 53 -1.420 -6.590 1.895 313 HD12 LEU 53 HD12 LEU 53 -0.244 -6.451 0.586 314 HD13 LEU 53 HD13 LEU 53 -0.699 -5.024 1.521 315 HD21 LEU 53 HD21 LEU 53 1.531 -8.060 3.479 316 HD22 LEU 53 HD22 LEU 53 1.236 -8.254 1.752 317 HD23 LEU 53 HD23 LEU 53 -0.105 -8.358 2.892 318 H SER 54 HN SER 54 4.548 -6.190 1.182 319 HA SER 54 HA SER 54 6.443 -4.050 1.669 320 HB2 SER 54 HB2 SER 54 7.316 -6.237 1.012 321 HB3 SER 54 HB1 SER 54 6.353 -6.207 -0.463 322 HG SER 54 HG SER 54 8.512 -4.499 0.239 323 H MET 55 HN MET 55 6.804 -2.308 0.287 324 HA MET 55 HA MET 55 4.515 -1.325 -1.082 325 HB2 MET 55 HB2 MET 55 6.967 -0.268 -0.139 326 HB3 MET 55 HB1 MET 55 6.884 0.094 -1.859 327 HG2 MET 55 HG2 MET 55 4.531 0.962 -1.381 328 HG3 MET 55 HG1 MET 55 4.994 0.915 0.319 329 HE1 MET 55 HE1 MET 55 5.305 2.668 -3.085 330 HE2 MET 55 HE2 MET 55 6.906 1.928 -3.025 331 HE3 MET 55 HE3 MET 55 6.739 3.679 -2.915 332 H ARG 56 HN ARG 56 6.934 -3.456 -1.982 333 HA ARG 56 HA ARG 56 6.815 -2.796 -4.814 334 HB2 ARG 56 HB2 ARG 56 8.934 -3.523 -3.590 335 HB3 ARG 56 HB1 ARG 56 8.241 -5.139 -3.562 336 HG2 ARG 56 HG2 ARG 56 8.256 -5.276 -5.933 337 HG3 ARG 56 HG1 ARG 56 8.661 -3.565 -6.089 338 HD2 ARG 56 HD2 ARG 56 10.830 -3.934 -5.153 339 HD3 ARG 56 HD1 ARG 56 10.426 -5.603 -4.759 340 HE ARG 56 HE ARG 56 10.476 -6.123 -7.090 341 HH11 ARG 56 HH11 ARG 56 12.521 -2.698 -7.833 342 HH12 ARG 56 HH12 ARG 56 11.622 -2.882 -6.278 343 HH21 ARG 56 HH21 ARG 56 12.477 -4.377 -9.393 344 HH22 ARG 56 HH22 ARG 56 11.569 -5.905 -9.069 345 H GLN 57 HN GLN 57 4.962 -4.468 -2.657 346 HA GLN 57 HA GLN 57 4.213 -6.610 -4.493 347 HB2 GLN 57 HB2 GLN 57 4.461 -7.284 -2.193 348 HB3 GLN 57 HB1 GLN 57 3.394 -5.998 -1.648 349 HG2 GLN 57 HG2 GLN 57 1.600 -7.138 -3.067 350 HG3 GLN 57 HG1 GLN 57 2.697 -8.516 -3.107 351 HE21 GLN 57 HE21 GLN 57 0.026 -8.154 -1.908 352 HE22 GLN 57 HE22 GLN 57 0.211 -8.585 -0.238 353 H ILE 58 HN ILE 58 2.836 -3.732 -2.965 354 HA ILE 58 HA ILE 58 0.380 -4.132 -4.498 355 HB ILE 58 HB ILE 58 -0.490 -2.199 -3.146 356 HG12 ILE 58 HG12 ILE 58 2.073 -2.657 -1.597 357 HG13 ILE 58 HG11 ILE 58 1.669 -1.210 -2.516 358 HG21 ILE 58 HG21 ILE 58 -1.013 -4.518 -2.604 359 HG22 ILE 58 HG22 ILE 58 -0.841 -3.554 -1.138 360 HG23 ILE 58 HG23 ILE 58 0.458 -4.633 -1.639 361 HD11 ILE 58 HD11 ILE 58 0.260 -2.217 -0.054 362 HD12 ILE 58 HD12 ILE 58 -0.222 -0.806 -0.996 363 HD13 ILE 58 HD13 ILE 58 1.333 -0.820 -0.161 364 H ARG 59 HN ARG 59 -0.602 -2.313 -5.589 365 HA ARG 59 HA ARG 59 1.365 -0.389 -6.660 366 HB2 ARG 59 HB2 ARG 59 -0.827 -1.793 -8.202 367 HB3 ARG 59 HB1 ARG 59 0.252 -0.566 -8.850 368 HG2 ARG 59 HG2 ARG 59 1.149 -3.239 -7.790 369 HG3 ARG 59 HG1 ARG 59 0.861 -2.872 -9.493 370 HD2 ARG 59 HD2 ARG 59 2.595 -1.199 -9.474 371 HD3 ARG 59 HD1 ARG 59 2.818 -1.397 -7.738 372 HE ARG 59 HE ARG 59 3.525 -3.397 -9.788 373 HH11 ARG 59 HH11 ARG 59 5.239 -3.100 -6.133 374 HH12 ARG 59 HH12 ARG 59 3.773 -2.124 -6.505 375 HH21 ARG 59 HH21 ARG 59 5.326 -4.696 -9.313 376 HH22 ARG 59 HH22 ARG 59 6.086 -4.571 -7.682 377 H PHE 60 HN PHE 60 0.585 1.699 -7.026 378 HA PHE 60 HA PHE 60 -2.122 2.205 -5.988 379 HB2 PHE 60 HB2 PHE 60 0.435 3.760 -5.711 380 HB3 PHE 60 HB1 PHE 60 -1.126 4.551 -5.527 381 HD1 PHE 60 HD1 PHE 60 0.895 1.707 -4.225 382 HD2 PHE 60 HD2 PHE 60 -2.210 4.522 -3.478 383 HE1 PHE 60 HE1 PHE 60 0.814 0.991 -1.872 384 HE2 PHE 60 HE2 PHE 60 -2.293 3.813 -1.122 385 HZ PHE 60 HZ PHE 60 -0.778 2.047 -0.318 386 H ARG 61 HN ARG 61 -3.536 3.177 -7.290 387 HA ARG 61 HA ARG 61 -2.508 4.559 -9.680 388 HB2 ARG 61 HB2 ARG 61 -4.802 2.616 -9.462 389 HB3 ARG 61 HB1 ARG 61 -4.677 3.760 -10.788 390 HG2 ARG 61 HG2 ARG 61 -2.366 2.779 -11.210 391 HG3 ARG 61 HG1 ARG 61 -2.850 1.474 -10.124 392 HD2 ARG 61 HD2 ARG 61 -4.790 1.017 -11.557 393 HD3 ARG 61 HD1 ARG 61 -4.284 2.306 -12.646 394 HE ARG 61 HE ARG 61 -3.025 -0.315 -12.322 395 HH11 ARG 61 HH11 ARG 61 -1.917 2.350 -15.170 396 HH12 ARG 61 HH12 ARG 61 -3.090 2.849 -13.893 397 HH21 ARG 61 HH21 ARG 61 -1.566 -0.977 -13.956 398 HH22 ARG 61 HH22 ARG 61 -1.080 0.222 -15.215 399 H PHE 62 HN PHE 62 -3.437 6.447 -10.212 400 HA PHE 62 HA PHE 62 -5.707 7.392 -8.581 401 HB2 PHE 62 HB2 PHE 62 -3.882 8.626 -7.720 402 HB3 PHE 62 HB1 PHE 62 -3.134 8.790 -9.304 403 HD1 PHE 62 HD1 PHE 62 -6.140 9.843 -7.372 404 HD2 PHE 62 HD2 PHE 62 -3.418 10.738 -10.520 405 HE1 PHE 62 HE1 PHE 62 -7.174 12.060 -7.632 406 HE2 PHE 62 HE2 PHE 62 -4.444 12.957 -10.782 407 HZ PHE 62 HZ PHE 62 -6.326 13.621 -9.338 408 H ASP 63 HN ASP 63 -7.392 7.538 -9.896 409 HA ASP 63 HA ASP 63 -8.697 7.918 -11.715 410 HB2 ASP 63 HB2 ASP 63 -7.670 10.240 -11.245 411 HB3 ASP 63 HB1 ASP 63 -6.663 9.928 -12.655 412 H GLY 64 HN GLY 64 -6.642 5.897 -11.861 413 HA2 GLY 64 HA2 GLY 64 -6.442 4.326 -13.649 414 HA3 GLY 64 HA1 GLY 64 -6.490 5.667 -14.783 415 H GLN 65 HN GLN 65 -4.585 7.353 -13.794 416 HA GLN 65 HA GLN 65 -2.205 6.122 -14.751 417 HB2 GLN 65 HB2 GLN 65 -2.786 8.816 -13.531 418 HB3 GLN 65 HB1 GLN 65 -1.177 8.346 -14.065 419 HG2 GLN 65 HG2 GLN 65 -3.606 8.362 -15.839 420 HG3 GLN 65 HG1 GLN 65 -2.459 9.697 -15.710 421 HE21 GLN 65 HE21 GLN 65 -0.394 9.460 -16.551 422 HE22 GLN 65 HE22 GLN 65 0.014 8.192 -17.654 423 HA PRO 66 HA PRO 66 -0.493 4.621 -10.949 424 HB2 PRO 66 HB2 PRO 66 2.117 4.491 -11.635 425 HB3 PRO 66 HB1 PRO 66 0.911 3.376 -12.297 426 HG2 PRO 66 HG2 PRO 66 2.089 5.822 -13.544 427 HG3 PRO 66 HG1 PRO 66 1.768 4.234 -14.271 428 HD2 PRO 66 HD2 PRO 66 0.122 6.362 -14.612 429 HD3 PRO 66 HD1 PRO 66 -0.456 4.683 -14.603 430 H ILE 67 HN ILE 67 0.472 5.366 -9.105 431 HA ILE 67 HA ILE 67 1.181 8.195 -9.063 432 HB ILE 67 HB ILE 67 0.784 6.227 -6.799 433 HG12 ILE 67 HG12 ILE 67 -0.970 8.472 -7.822 434 HG13 ILE 67 HG11 ILE 67 -1.278 6.752 -8.039 435 HG21 ILE 67 HG21 ILE 67 1.173 9.216 -6.695 436 HG22 ILE 67 HG22 ILE 67 2.348 8.004 -6.186 437 HG23 ILE 67 HG23 ILE 67 0.819 8.168 -5.322 438 HD11 ILE 67 HD11 ILE 67 -1.194 8.202 -5.401 439 HD12 ILE 67 HD12 ILE 67 -1.535 6.488 -5.634 440 HD13 ILE 67 HD13 ILE 67 -2.646 7.700 -6.264 441 H ASN 68 HN ASN 68 3.194 8.962 -8.755 442 HA ASN 68 HA ASN 68 5.379 7.024 -8.690 443 HB2 ASN 68 HB2 ASN 68 5.331 10.016 -9.147 444 HB3 ASN 68 HB1 ASN 68 6.804 9.053 -9.112 445 HD21 ASN 68 HD21 ASN 68 3.967 9.891 -10.881 446 HD22 ASN 68 HD22 ASN 68 4.400 9.093 -12.360 447 H GLU 69 HN GLU 69 7.309 7.564 -7.351 448 HA GLU 69 HA GLU 69 6.500 7.874 -4.612 449 HB2 GLU 69 HB2 GLU 69 9.275 7.617 -5.780 450 HB3 GLU 69 HB1 GLU 69 8.849 7.449 -4.084 451 HG2 GLU 69 HG2 GLU 69 7.517 5.483 -4.589 452 HG3 GLU 69 HG1 GLU 69 7.882 5.659 -6.305 453 H THR 70 HN THR 70 7.026 10.079 -6.939 454 HA THR 70 HA THR 70 7.974 12.104 -5.028 455 HB THR 70 HB THR 70 8.546 13.298 -7.342 456 HG1 THR 70 HG1 THR 70 8.937 11.928 -8.958 457 HG21 THR 70 HG21 THR 70 10.162 12.948 -5.587 458 HG22 THR 70 HG22 THR 70 10.859 12.417 -7.120 459 HG23 THR 70 HG23 THR 70 10.255 11.225 -5.967 460 H ASP 71 HN ASP 71 5.255 11.013 -6.162 461 HA ASP 71 HA ASP 71 4.132 13.413 -7.330 462 HB2 ASP 71 HB2 ASP 71 3.245 10.613 -6.969 463 HB3 ASP 71 HB1 ASP 71 1.974 11.830 -6.910 464 H THR 72 HN THR 72 2.476 14.632 -6.440 465 HA THR 72 HA THR 72 1.996 14.311 -3.560 466 HB THR 72 HB THR 72 1.982 17.044 -3.880 467 HG1 THR 72 HG1 THR 72 4.302 16.092 -5.229 468 HG21 THR 72 HG21 THR 72 4.298 15.309 -3.011 469 HG22 THR 72 HG22 THR 72 2.958 15.845 -1.993 470 HG23 THR 72 HG23 THR 72 4.102 17.022 -2.638 471 HA PRO 73 HA PRO 73 -2.304 14.944 -4.400 472 HB2 PRO 73 HB2 PRO 73 -2.304 17.115 -2.360 473 HB3 PRO 73 HB1 PRO 73 -3.311 15.663 -2.460 474 HG2 PRO 73 HG2 PRO 73 -1.349 15.816 -0.680 475 HG3 PRO 73 HG1 PRO 73 -1.701 14.299 -1.530 476 HD2 PRO 73 HD2 PRO 73 0.523 16.228 -1.972 477 HD3 PRO 73 HD1 PRO 73 0.519 14.458 -2.098 478 H ALA 74 HN ALA 74 -0.461 17.935 -3.912 479 HA ALA 74 HA ALA 74 -2.231 19.539 -5.486 480 HB1 ALA 74 HB1 ALA 74 -0.543 21.288 -5.215 481 HB2 ALA 74 HB2 ALA 74 0.577 20.107 -4.533 482 HB3 ALA 74 HB3 ALA 74 -0.912 20.509 -3.676 483 H GLN 75 HN GLN 75 0.625 17.651 -6.102 484 HA GLN 75 HA GLN 75 1.315 18.811 -8.604 485 HB2 GLN 75 HB2 GLN 75 2.883 17.507 -7.192 486 HB3 GLN 75 HB1 GLN 75 1.943 16.059 -7.515 487 HG2 GLN 75 HG2 GLN 75 3.853 16.019 -8.920 488 HG3 GLN 75 HG1 GLN 75 2.448 16.349 -9.931 489 HE21 GLN 75 HE21 GLN 75 3.738 17.248 -11.533 490 HE22 GLN 75 HE22 GLN 75 4.435 18.822 -11.372 491 H LEU 76 HN LEU 76 -0.734 16.141 -7.594 492 HA LEU 76 HA LEU 76 -1.361 15.507 -10.374 493 HB2 LEU 76 HB2 LEU 76 -2.076 14.170 -7.769 494 HB3 LEU 76 HB1 LEU 76 -2.724 13.656 -9.313 495 HG LEU 76 HG LEU 76 0.206 13.677 -8.589 496 HD11 LEU 76 HD11 LEU 76 -1.734 11.378 -8.809 497 HD12 LEU 76 HD12 LEU 76 -1.035 12.010 -7.319 498 HD13 LEU 76 HD13 LEU 76 0.002 11.247 -8.525 499 HD21 LEU 76 HD21 LEU 76 0.422 12.318 -10.651 500 HD22 LEU 76 HD22 LEU 76 -0.081 13.980 -10.951 501 HD23 LEU 76 HD23 LEU 76 -1.265 12.675 -11.021 502 H GLU 77 HN GLU 77 -2.343 17.773 -8.342 503 HA GLU 77 HA GLU 77 -4.197 19.032 -8.011 504 HB2 GLU 77 HB2 GLU 77 -4.732 17.978 -10.785 505 HB3 GLU 77 HB1 GLU 77 -5.733 19.206 -10.022 506 HG2 GLU 77 HG2 GLU 77 -2.771 19.527 -10.354 507 HG3 GLU 77 HG1 GLU 77 -3.923 20.000 -11.601 508 H MET 78 HN MET 78 -4.449 16.891 -6.542 509 HA MET 78 HA MET 78 -6.871 15.429 -7.129 510 HB2 MET 78 HB2 MET 78 -5.207 15.463 -4.603 511 HB3 MET 78 HB1 MET 78 -6.458 14.296 -5.008 512 HG2 MET 78 HG2 MET 78 -5.135 13.474 -6.862 513 HG3 MET 78 HG1 MET 78 -3.899 14.688 -6.541 514 HE1 MET 78 HE1 MET 78 -5.620 11.428 -5.456 515 HE2 MET 78 HE2 MET 78 -5.951 12.371 -4.005 516 HE3 MET 78 HE3 MET 78 -4.833 11.012 -3.935 517 H GLU 79 HN GLU 79 -8.743 15.438 -5.796 518 HA GLU 79 HA GLU 79 -9.169 18.029 -4.464 519 HB2 GLU 79 HB2 GLU 79 -10.660 16.701 -6.509 520 HB3 GLU 79 HB1 GLU 79 -11.654 16.796 -5.063 521 HG2 GLU 79 HG2 GLU 79 -10.330 19.091 -6.485 522 HG3 GLU 79 HG1 GLU 79 -12.051 18.709 -6.473 523 H ASP 80 HN ASP 80 -11.308 17.691 -2.981 524 HA ASP 80 HA ASP 80 -10.358 15.949 -0.901 525 HB2 ASP 80 HB2 ASP 80 -12.127 18.190 -1.066 526 HB3 ASP 80 HB1 ASP 80 -12.958 16.862 -0.257 527 H GLU 81 HN GLU 81 -11.150 14.072 -0.204 528 HA GLU 81 HA GLU 81 -12.229 12.107 -0.145 529 HB2 GLU 81 HB2 GLU 81 -14.419 13.684 -1.489 530 HB3 GLU 81 HB1 GLU 81 -14.587 11.988 -1.050 531 HG2 GLU 81 HG2 GLU 81 -14.018 12.636 1.302 532 HG3 GLU 81 HG1 GLU 81 -14.138 14.320 0.792 533 H ASP 82 HN ASP 82 -10.411 12.788 -2.246 534 HA ASP 82 HA ASP 82 -11.306 11.667 -4.714 535 HB2 ASP 82 HB2 ASP 82 -9.109 13.136 -3.936 536 HB3 ASP 82 HB1 ASP 82 -8.419 11.537 -4.201 537 H THR 83 HN THR 83 -10.882 9.587 -5.549 538 HA THR 83 HA THR 83 -10.464 7.584 -3.451 539 HB THR 83 HB THR 83 -11.472 6.970 -6.213 540 HG1 THR 83 HG1 THR 83 -12.648 8.689 -4.750 541 HG21 THR 83 HG21 THR 83 -12.585 5.119 -5.056 542 HG22 THR 83 HG22 THR 83 -11.937 5.687 -3.515 543 HG23 THR 83 HG23 THR 83 -10.845 5.087 -4.765 544 H ILE 84 HN ILE 84 -8.586 6.630 -3.292 545 HA ILE 84 HA ILE 84 -6.842 6.444 -5.657 546 HB ILE 84 HB ILE 84 -6.117 6.016 -2.749 547 HG12 ILE 84 HG12 ILE 84 -5.577 8.416 -4.512 548 HG13 ILE 84 HG11 ILE 84 -6.787 8.354 -3.235 549 HG21 ILE 84 HG21 ILE 84 -3.805 6.146 -3.538 550 HG22 ILE 84 HG22 ILE 84 -4.380 6.311 -5.197 551 HG23 ILE 84 HG23 ILE 84 -4.673 4.816 -4.306 552 HD11 ILE 84 HD11 ILE 84 -3.823 8.029 -2.824 553 HD12 ILE 84 HD12 ILE 84 -5.060 8.077 -1.571 554 HD13 ILE 84 HD13 ILE 84 -4.740 9.509 -2.546 555 H ASP 85 HN ASP 85 -6.555 4.498 -6.586 556 HA ASP 85 HA ASP 85 -7.778 2.185 -5.269 557 HB2 ASP 85 HB2 ASP 85 -7.130 2.846 -8.117 558 HB3 ASP 85 HB1 ASP 85 -7.329 1.165 -7.632 559 H VAL 86 HN VAL 86 -6.697 0.433 -4.664 560 HA VAL 86 HA VAL 86 -3.782 0.395 -5.108 561 HB VAL 86 HB VAL 86 -5.341 -0.905 -2.861 562 HG11 VAL 86 HG11 VAL 86 -3.120 -1.297 -1.872 563 HG12 VAL 86 HG12 VAL 86 -2.372 -0.665 -3.340 564 HG13 VAL 86 HG13 VAL 86 -3.330 -2.145 -3.405 565 HG21 VAL 86 HG21 VAL 86 -4.296 0.783 -1.425 566 HG22 VAL 86 HG22 VAL 86 -5.340 1.517 -2.643 567 HG23 VAL 86 HG23 VAL 86 -3.588 1.549 -2.847 568 H PHE 87 HN PHE 87 -2.953 -1.284 -6.182 569 HA PHE 87 HA PHE 87 -4.700 -3.601 -6.704 570 HB2 PHE 87 HB2 PHE 87 -2.733 -2.194 -8.507 571 HB3 PHE 87 HB1 PHE 87 -3.304 -3.823 -8.841 572 HD1 PHE 87 HD1 PHE 87 -5.416 -4.200 -9.804 573 HD2 PHE 87 HD2 PHE 87 -4.363 -0.304 -8.455 574 HE1 PHE 87 HE1 PHE 87 -7.399 -3.277 -10.932 575 HE2 PHE 87 HE2 PHE 87 -6.341 0.622 -9.579 576 HZ PHE 87 HZ PHE 87 -7.865 -0.865 -10.817 577 H GLN 88 HN GLN 88 -3.326 -5.559 -7.418 578 HA GLN 88 HA GLN 88 -1.012 -5.761 -5.599 579 HB2 GLN 88 HB2 GLN 88 -3.023 -7.874 -6.406 580 HB3 GLN 88 HB1 GLN 88 -1.566 -8.200 -5.476 581 HG2 GLN 88 HG2 GLN 88 -3.287 -6.077 -4.400 582 HG3 GLN 88 HG1 GLN 88 -3.987 -7.696 -4.396 583 HE21 GLN 88 HE21 GLN 88 -3.938 -7.780 -2.149 584 HE22 GLN 88 HE22 GLN 88 -2.469 -8.007 -1.269 585 H GLN 89 HN GLN 89 0.880 -6.434 -6.419 586 HA GLN 89 HA GLN 89 1.206 -6.581 -9.246 587 HB2 GLN 89 HB2 GLN 89 3.000 -5.635 -8.002 588 HB3 GLN 89 HB1 GLN 89 3.070 -7.015 -6.915 589 HG2 GLN 89 HG2 GLN 89 4.945 -7.139 -8.364 590 HG3 GLN 89 HG1 GLN 89 3.817 -8.404 -8.847 591 HE21 GLN 89 HE21 GLN 89 4.364 -8.617 -10.937 592 HE22 GLN 89 HE22 GLN 89 4.203 -7.358 -12.119 593 H GLN 90 HN GLN 90 1.387 -8.293 -10.553 594 HA GLN 90 HA GLN 90 0.540 -10.853 -9.631 595 HB2 GLN 90 HB2 GLN 90 1.709 -10.009 -12.297 596 HB3 GLN 90 HB1 GLN 90 0.978 -11.573 -11.968 597 HG2 GLN 90 HG2 GLN 90 -0.713 -10.403 -13.031 598 HG3 GLN 90 HG1 GLN 90 -1.117 -10.239 -11.324 599 HE21 GLN 90 HE21 GLN 90 -2.366 -8.392 -11.854 600 HE22 GLN 90 HE22 GLN 90 -1.604 -6.869 -12.144 601 H THR 91 HN THR 91 1.775 -12.359 -8.700 602 HA THR 91 HA THR 91 4.612 -12.061 -8.557 603 HB THR 91 HB THR 91 4.347 -14.456 -7.503 604 HG1 THR 91 HG1 THR 91 2.345 -15.099 -7.212 605 HG21 THR 91 HG21 THR 91 3.234 -11.954 -6.231 606 HG22 THR 91 HG22 THR 91 4.923 -12.469 -6.229 607 HG23 THR 91 HG23 THR 91 3.710 -13.412 -5.359 608 H GLY 92 HN GLY 92 2.404 -13.825 -10.542 609 HA2 GLY 92 HA2 GLY 92 4.530 -14.631 -12.314 610 HA3 GLY 92 HA1 GLY 92 3.727 -15.974 -11.504 611 H ASN 357 HT1 ASN 357 -20.163 -4.123 5.390 612 HA ASN 357 HA ASN 357 -18.530 -2.299 4.909 613 HB2 ASN 357 HB2 ASN 357 -20.608 -2.004 6.253 614 HB3 ASN 357 HB1 ASN 357 -19.705 -2.433 7.699 615 HD21 ASN 357 HD21 ASN 357 -19.777 -0.554 8.807 616 HD22 ASN 357 HD22 ASN 357 -19.139 0.949 8.227 617 H ASN 358 HN ASN 358 -16.393 -2.057 4.957 618 HA ASN 358 HA ASN 358 -15.029 -2.786 7.474 619 HB2 ASN 358 HB2 ASN 358 -14.422 -4.308 5.634 620 HB3 ASN 358 HB1 ASN 358 -13.946 -2.937 4.641 621 HD21 ASN 358 HD21 ASN 358 -13.087 -5.060 7.179 622 HD22 ASN 358 HD22 ASN 358 -11.456 -4.515 7.380 623 H ARG 359 HN ARG 359 -14.139 -1.110 8.476 624 HA ARG 359 HA ARG 359 -13.381 1.218 6.846 625 HB2 ARG 359 HB2 ARG 359 -13.984 2.558 8.987 626 HB3 ARG 359 HB1 ARG 359 -15.272 2.049 7.902 627 HG2 ARG 359 HG2 ARG 359 -15.620 0.066 9.386 628 HG3 ARG 359 HG1 ARG 359 -14.476 0.790 10.519 629 HD2 ARG 359 HD2 ARG 359 -15.923 2.770 10.680 630 HD3 ARG 359 HD1 ARG 359 -17.063 2.029 9.563 631 HE ARG 359 HE ARG 359 -17.180 0.201 11.357 632 HH11 ARG 359 HH11 ARG 359 -17.387 3.533 13.659 633 HH12 ARG 359 HH12 ARG 359 -16.621 3.611 12.029 634 HH21 ARG 359 HH21 ARG 359 -18.142 0.049 13.425 635 HH22 ARG 359 HH22 ARG 359 -18.236 1.532 14.447 636 H ASP 360 HN ASP 360 -11.303 1.731 7.015 637 HA ASP 360 HA ASP 360 -9.969 1.194 9.570 638 HB2 ASP 360 HB2 ASP 360 -9.327 -0.416 7.650 639 HB3 ASP 360 HB1 ASP 360 -8.401 0.942 7.025 640 HA PRO 361 HA PRO 361 -8.781 5.433 8.833 641 HB2 PRO 361 HB2 PRO 361 -8.381 6.084 11.391 642 HB3 PRO 361 HB1 PRO 361 -9.988 5.603 10.826 643 HG2 PRO 361 HG2 PRO 361 -8.131 4.131 12.564 644 HG3 PRO 361 HG1 PRO 361 -9.879 3.923 12.349 645 HD2 PRO 361 HD2 PRO 361 -7.691 2.444 11.077 646 HD3 PRO 361 HD1 PRO 361 -9.436 2.096 11.083 647 H ILE 362 HN ILE 362 -6.921 6.253 8.135 648 HA ILE 362 HA ILE 362 -4.426 5.479 9.489 649 HB ILE 362 HB ILE 362 -4.675 6.123 6.545 650 HG12 ILE 362 HG12 ILE 362 -4.496 3.468 7.994 651 HG13 ILE 362 HG11 ILE 362 -5.798 4.020 6.947 652 HG21 ILE 362 HG21 ILE 362 -2.388 5.310 6.401 653 HG22 ILE 362 HG22 ILE 362 -2.376 4.977 8.133 654 HG23 ILE 362 HG23 ILE 362 -2.489 6.639 7.556 655 HD11 ILE 362 HD11 ILE 362 -4.454 3.802 5.019 656 HD12 ILE 362 HD12 ILE 362 -4.249 2.323 5.957 657 HD13 ILE 362 HD13 ILE 362 -2.996 3.563 5.978 658 H VAL 363 HN VAL 363 -3.090 7.025 10.105 659 HA VAL 363 HA VAL 363 -3.783 9.812 9.434 660 HB VAL 363 HB VAL 363 -2.419 8.897 11.967 661 HG11 VAL 363 HG11 VAL 363 -2.788 11.111 12.765 662 HG12 VAL 363 HG12 VAL 363 -3.798 11.510 11.375 663 HG13 VAL 363 HG13 VAL 363 -2.067 11.248 11.160 664 HG21 VAL 363 HG21 VAL 363 -5.331 9.520 11.512 665 HG22 VAL 363 HG22 VAL 363 -4.581 9.306 13.093 666 HG23 VAL 363 HG23 VAL 363 -4.642 7.961 11.953 667 H ILE 364 HN ILE 364 -2.255 11.143 8.847 668 HA ILE 364 HA ILE 364 0.380 10.005 8.288 669 HB ILE 364 HB ILE 364 -1.329 10.963 6.411 670 HG12 ILE 364 HG12 ILE 364 0.650 11.203 4.945 671 HG13 ILE 364 HG11 ILE 364 1.694 11.184 6.361 672 HG21 ILE 364 HG21 ILE 364 -0.603 13.176 5.700 673 HG22 ILE 364 HG22 ILE 364 0.476 13.285 7.090 674 HG23 ILE 364 HG23 ILE 364 -1.270 13.236 7.332 675 HD11 ILE 364 HD11 ILE 364 0.825 8.907 6.875 676 HD12 ILE 364 HD12 ILE 364 1.725 9.021 5.364 677 HD13 ILE 364 HD13 ILE 364 -0.036 8.952 5.338 678 H SEP 365 HN SEP 365 2.172 11.247 8.592 679 HA SEP 365 HA SEP 365 1.870 13.278 10.674 680 HB2 SEP 365 HB1 SEP 365 3.281 11.492 11.370 681 HB3 SEP 365 HB2 SEP 365 4.437 12.706 10.808 682 H ASP 366 HN ASP 366 2.338 15.318 10.197 683 HA ASP 366 HA ASP 366 3.676 15.901 7.645 684 HB2 ASP 366 HB2 ASP 366 1.162 16.365 7.841 685 HB3 ASP 366 HB1 ASP 366 1.604 17.650 8.957 686 H SEP 367 HN SEP 367 5.426 17.047 7.775 687 HA SEP 367 HA SEP 367 6.383 18.058 10.267 688 HB2 SEP 367 HB1 SEP 367 8.378 18.679 8.916 689 HB3 SEP 367 HB2 SEP 367 7.510 18.183 7.467 690 HA PRO 368 HA PRO 368 4.479 22.078 9.514 691 HB2 PRO 368 HB2 PRO 368 5.508 22.744 12.168 692 HB3 PRO 368 HB1 PRO 368 3.832 22.627 11.622 693 HG2 PRO 368 HG2 PRO 368 4.901 20.845 13.332 694 HG3 PRO 368 HG1 PRO 368 3.657 20.404 12.145 695 HD2 PRO 368 HD2 PRO 368 6.614 19.968 12.018 696 HD3 PRO 368 HD1 PRO 368 5.287 18.875 11.567 Start of MODEL 5 1 H ASP 16 HT1 ASP 16 -6.243 23.178 3.911 2 HA ASP 16 HA ASP 16 -5.849 22.614 6.781 3 HB2 ASP 16 HB2 ASP 16 -8.366 22.610 5.115 4 HB3 ASP 16 HB1 ASP 16 -8.212 21.614 6.559 5 H HIS 17 HN HIS 17 -7.064 20.199 6.820 6 HA HIS 17 HA HIS 17 -5.216 18.602 5.261 7 HB2 HIS 17 HB2 HIS 17 -7.008 18.128 7.594 8 HB3 HIS 17 HB1 HIS 17 -6.608 16.745 6.584 9 HD2 HIS 17 HD2 HIS 17 -4.034 15.796 6.802 10 HE1 HIS 17 HE1 HIS 17 -2.855 18.511 9.817 11 HE2 HIS 17 HE2 HIS 17 -2.290 16.344 8.642 12 H ILE 18 HN ILE 18 -5.839 16.934 3.853 13 HA ILE 18 HA ILE 18 -8.533 17.272 2.716 14 HB ILE 18 HB ILE 18 -6.832 17.999 1.146 15 HG12 ILE 18 HG12 ILE 18 -7.890 15.288 0.320 16 HG13 ILE 18 HG11 ILE 18 -8.798 16.795 0.248 17 HG21 ILE 18 HG21 ILE 18 -5.109 16.498 0.288 18 HG22 ILE 18 HG22 ILE 18 -5.614 15.260 1.440 19 HG23 ILE 18 HG23 ILE 18 -4.924 16.778 2.020 20 HD11 ILE 18 HD11 ILE 18 -6.278 16.179 -1.284 21 HD12 ILE 18 HD12 ILE 18 -7.197 17.683 -1.364 22 HD13 ILE 18 HD13 ILE 18 -7.917 16.178 -1.934 23 H ASN 19 HN ASN 19 -9.825 15.517 2.592 24 HA ASN 19 HA ASN 19 -8.833 13.061 3.819 25 HB2 ASN 19 HB2 ASN 19 -11.635 13.804 2.948 26 HB3 ASN 19 HB1 ASN 19 -11.191 12.385 3.890 27 HD21 ASN 19 HD21 ASN 19 -11.561 15.844 3.904 28 HD22 ASN 19 HD22 ASN 19 -11.548 16.034 5.629 29 H LEU 20 HN LEU 20 -7.903 11.622 2.511 30 HA LEU 20 HA LEU 20 -8.953 11.326 -0.215 31 HB2 LEU 20 HB2 LEU 20 -6.332 10.444 0.997 32 HB3 LEU 20 HB1 LEU 20 -6.827 10.082 -0.644 33 HG LEU 20 HG LEU 20 -6.309 12.830 0.493 34 HD11 LEU 20 HD11 LEU 20 -4.801 11.246 -1.579 35 HD12 LEU 20 HD12 LEU 20 -4.298 11.486 0.094 36 HD13 LEU 20 HD13 LEU 20 -4.408 12.866 -0.999 37 HD21 LEU 20 HD21 LEU 20 -6.577 13.556 -1.877 38 HD22 LEU 20 HD22 LEU 20 -8.067 13.009 -1.112 39 HD23 LEU 20 HD23 LEU 20 -7.219 11.954 -2.243 40 H LYS 21 HN LYS 21 -9.865 9.464 -0.889 41 HA LYS 21 HA LYS 21 -10.322 7.432 1.167 42 HB2 LYS 21 HB2 LYS 21 -11.790 8.065 -1.398 43 HB3 LYS 21 HB1 LYS 21 -12.176 6.692 -0.371 44 HG2 LYS 21 HG2 LYS 21 -13.016 8.026 1.323 45 HG3 LYS 21 HG1 LYS 21 -12.130 9.450 0.775 46 HD2 LYS 21 HD2 LYS 21 -14.387 9.839 0.217 47 HD3 LYS 21 HD1 LYS 21 -13.585 9.400 -1.291 48 HE2 LYS 21 HE2 LYS 21 -14.460 7.152 -1.144 49 HE3 LYS 21 HE1 LYS 21 -15.172 7.501 0.431 50 HZ1 LYS 21 HZ1 LYS 21 -16.471 9.296 -0.756 51 HZ2 LYS 21 HZ2 LYS 21 -16.907 7.694 -1.110 52 HZ3 LYS 21 HZ3 LYS 21 -15.971 8.577 -2.209 53 H VAL 22 HN VAL 22 -8.760 5.957 1.091 54 HA VAL 22 HA VAL 22 -7.975 4.845 -1.519 55 HB VAL 22 HB VAL 22 -6.593 4.308 1.105 56 HG11 VAL 22 HG11 VAL 22 -6.073 2.767 -0.681 57 HG12 VAL 22 HG12 VAL 22 -4.680 3.792 -0.346 58 HG13 VAL 22 HG13 VAL 22 -5.686 4.108 -1.762 59 HG21 VAL 22 HG21 VAL 22 -6.666 6.755 0.662 60 HG22 VAL 22 HG22 VAL 22 -5.828 6.457 -0.858 61 HG23 VAL 22 HG23 VAL 22 -5.037 6.076 0.669 62 H ALA 23 HN ALA 23 -8.929 2.992 -2.066 63 HA ALA 23 HA ALA 23 -9.915 1.250 0.098 64 HB1 ALA 23 HB1 ALA 23 -11.687 0.519 -1.419 65 HB2 ALA 23 HB2 ALA 23 -11.080 1.613 -2.661 66 HB3 ALA 23 HB3 ALA 23 -11.742 2.263 -1.162 67 H GLY 24 HN GLY 24 -9.649 -0.949 -0.079 68 HA2 GLY 24 HA2 GLY 24 -7.526 -1.766 -1.933 69 HA3 GLY 24 HA1 GLY 24 -8.019 -2.628 -0.481 70 H GLN 25 HN GLN 25 -7.764 -4.278 -2.432 71 HA GLN 25 HA GLN 25 -10.022 -4.461 -4.193 72 HB2 GLN 25 HB2 GLN 25 -7.848 -6.446 -3.512 73 HB3 GLN 25 HB1 GLN 25 -9.067 -6.703 -4.751 74 HG2 GLN 25 HG2 GLN 25 -7.125 -4.406 -4.750 75 HG3 GLN 25 HG1 GLN 25 -6.866 -5.926 -5.605 76 HE21 GLN 25 HE21 GLN 25 -7.146 -3.176 -6.614 77 HE22 GLN 25 HE22 GLN 25 -8.444 -3.237 -7.758 78 H ASP 26 HN ASP 26 -9.499 -5.235 -0.965 79 HA ASP 26 HA ASP 26 -11.353 -7.459 -0.855 80 HB2 ASP 26 HB2 ASP 26 -10.797 -7.628 1.441 81 HB3 ASP 26 HB1 ASP 26 -9.293 -7.195 0.634 82 H GLY 27 HN GLY 27 -11.378 -4.014 -0.407 83 HA2 GLY 27 HA2 GLY 27 -13.599 -2.983 -0.732 84 HA3 GLY 27 HA1 GLY 27 -14.226 -4.206 0.363 85 H SER 28 HN SER 28 -11.334 -3.436 1.654 86 HA SER 28 HA SER 28 -12.544 -1.812 3.698 87 HB2 SER 28 HB2 SER 28 -9.693 -2.747 3.293 88 HB3 SER 28 HB1 SER 28 -10.253 -1.858 4.710 89 HG SER 28 HG SER 28 -10.798 -4.492 3.900 90 H VAL 29 HN VAL 29 -12.313 0.347 4.045 91 HA VAL 29 HA VAL 29 -10.677 1.826 2.101 92 HB VAL 29 HB VAL 29 -13.080 2.073 1.612 93 HG11 VAL 29 HG11 VAL 29 -13.280 3.380 4.319 94 HG12 VAL 29 HG12 VAL 29 -13.941 1.803 3.888 95 HG13 VAL 29 HG13 VAL 29 -14.564 3.260 3.115 96 HG21 VAL 29 HG21 VAL 29 -13.138 4.546 1.575 97 HG22 VAL 29 HG22 VAL 29 -11.611 3.879 1.000 98 HG23 VAL 29 HG23 VAL 29 -11.718 4.564 2.620 99 H VAL 30 HN VAL 30 -9.371 3.398 2.871 100 HA VAL 30 HA VAL 30 -9.349 3.786 5.793 101 HB VAL 30 HB VAL 30 -6.995 4.596 5.464 102 HG11 VAL 30 HG11 VAL 30 -6.145 2.545 5.787 103 HG12 VAL 30 HG12 VAL 30 -6.934 1.867 4.358 104 HG13 VAL 30 HG13 VAL 30 -7.852 2.088 5.846 105 HG21 VAL 30 HG21 VAL 30 -5.831 4.077 3.406 106 HG22 VAL 30 HG22 VAL 30 -7.185 5.162 3.085 107 HG23 VAL 30 HG23 VAL 30 -7.318 3.445 2.704 108 H GLN 31 HN GLN 31 -9.251 5.834 6.646 109 HA GLN 31 HA GLN 31 -9.842 8.020 4.772 110 HB2 GLN 31 HB2 GLN 31 -11.419 7.574 6.712 111 HB3 GLN 31 HB1 GLN 31 -10.117 8.079 7.785 112 HG2 GLN 31 HG2 GLN 31 -10.095 10.277 6.810 113 HG3 GLN 31 HG1 GLN 31 -11.281 9.792 5.600 114 HE21 GLN 31 HE21 GLN 31 -11.415 11.934 7.546 115 HE22 GLN 31 HE22 GLN 31 -12.823 11.630 8.503 116 H PHE 32 HN PHE 32 -7.920 8.734 4.084 117 HA PHE 32 HA PHE 32 -5.652 8.900 5.854 118 HB2 PHE 32 HB2 PHE 32 -6.125 8.989 2.986 119 HB3 PHE 32 HB1 PHE 32 -4.962 10.203 3.511 120 HD1 PHE 32 HD1 PHE 32 -5.618 6.664 3.043 121 HD2 PHE 32 HD2 PHE 32 -2.870 9.523 4.587 122 HE1 PHE 32 HE1 PHE 32 -3.862 4.941 3.110 123 HE2 PHE 32 HE2 PHE 32 -1.114 7.804 4.657 124 HZ PHE 32 HZ PHE 32 -1.610 5.507 3.915 125 H LYS 33 HN LYS 33 -5.448 10.497 7.228 126 HA LYS 33 HA LYS 33 -6.512 13.140 6.610 127 HB2 LYS 33 HB2 LYS 33 -6.741 12.084 8.904 128 HB3 LYS 33 HB1 LYS 33 -5.001 12.256 9.083 129 HG2 LYS 33 HG2 LYS 33 -5.306 14.303 9.862 130 HG3 LYS 33 HG1 LYS 33 -5.991 14.778 8.306 131 HD2 LYS 33 HD2 LYS 33 -8.189 13.838 9.154 132 HD3 LYS 33 HD1 LYS 33 -7.429 13.765 10.746 133 HE2 LYS 33 HE2 LYS 33 -6.979 16.177 10.626 134 HE3 LYS 33 HE1 LYS 33 -7.748 16.235 9.044 135 HZ1 LYS 33 HZ1 LYS 33 -9.304 16.968 10.672 136 HZ2 LYS 33 HZ2 LYS 33 -9.058 15.597 11.629 137 HZ3 LYS 33 HZ3 LYS 33 -9.815 15.452 10.124 138 H ILE 34 HN ILE 34 -5.122 13.573 4.861 139 HA ILE 34 HA ILE 34 -2.324 14.117 5.611 140 HB ILE 34 HB ILE 34 -2.411 12.253 4.058 141 HG12 ILE 34 HG12 ILE 34 -1.622 14.659 2.412 142 HG13 ILE 34 HG11 ILE 34 -0.637 14.049 3.733 143 HG21 ILE 34 HG21 ILE 34 -3.417 12.444 1.839 144 HG22 ILE 34 HG22 ILE 34 -3.994 14.062 2.241 145 HG23 ILE 34 HG23 ILE 34 -4.612 12.660 3.118 146 HD11 ILE 34 HD11 ILE 34 0.201 13.223 1.635 147 HD12 ILE 34 HD12 ILE 34 -1.384 12.567 1.223 148 HD13 ILE 34 HD13 ILE 34 -0.465 11.884 2.567 149 H LYS 35 HN LYS 35 -1.324 15.928 4.338 150 HA LYS 35 HA LYS 35 -3.257 18.085 3.954 151 HB2 LYS 35 HB2 LYS 35 -0.233 18.109 4.055 152 HB3 LYS 35 HB1 LYS 35 -1.227 19.535 3.797 153 HG2 LYS 35 HG2 LYS 35 -2.304 19.069 6.016 154 HG3 LYS 35 HG1 LYS 35 -1.076 17.823 6.263 155 HD2 LYS 35 HD2 LYS 35 0.643 19.640 5.795 156 HD3 LYS 35 HD1 LYS 35 -0.685 20.790 5.950 157 HE2 LYS 35 HE2 LYS 35 -1.073 20.156 8.214 158 HE3 LYS 35 HE1 LYS 35 0.029 18.785 8.080 159 HZ1 LYS 35 HZ1 LYS 35 1.844 20.392 7.693 160 HZ2 LYS 35 HZ2 LYS 35 1.126 20.555 9.221 161 HZ3 LYS 35 HZ3 LYS 35 0.759 21.660 7.995 162 H ARG 36 HN ARG 36 -2.145 19.682 2.061 163 HA ARG 36 HA ARG 36 -2.564 18.063 -0.316 164 HB2 ARG 36 HB2 ARG 36 -2.349 21.050 0.047 165 HB3 ARG 36 HB1 ARG 36 -2.606 20.261 -1.502 166 HG2 ARG 36 HG2 ARG 36 -4.678 19.232 -0.479 167 HG3 ARG 36 HG1 ARG 36 -4.455 20.365 0.855 168 HD2 ARG 36 HD2 ARG 36 -6.010 21.304 -0.731 169 HD3 ARG 36 HD1 ARG 36 -4.511 22.230 -0.764 170 HE ARG 36 HE ARG 36 -4.002 21.286 -2.875 171 HH11 ARG 36 HH11 ARG 36 -7.179 20.377 -1.640 172 HH12 ARG 36 HH12 ARG 36 -7.807 19.906 -3.268 173 HH21 ARG 36 HH21 ARG 36 -4.763 20.640 -4.969 174 HH22 ARG 36 HH22 ARG 36 -6.427 19.947 -5.078 175 H HIS 37 HN HIS 37 0.051 19.696 1.310 176 HA HIS 37 HA HIS 37 1.736 19.419 -1.065 177 HB2 HIS 37 HB2 HIS 37 3.221 20.954 -0.131 178 HB3 HIS 37 HB1 HIS 37 1.651 21.540 0.389 179 HD2 HIS 37 HD2 HIS 37 1.090 20.325 3.149 180 HE1 HIS 37 HE1 HIS 37 5.148 21.014 4.108 181 HE2 HIS 37 HE2 HIS 37 2.911 20.227 4.992 182 H THR 38 HN THR 38 0.958 17.566 1.592 183 HA THR 38 HA THR 38 3.543 16.494 2.177 184 HB THR 38 HB THR 38 0.926 15.111 2.747 185 HG1 THR 38 HG1 THR 38 2.185 17.152 4.315 186 HG21 THR 38 HG21 THR 38 3.215 14.045 3.184 187 HG22 THR 38 HG22 THR 38 2.075 14.089 4.531 188 HG23 THR 38 HG23 THR 38 3.397 15.253 4.456 189 HA PRO 39 HA PRO 39 4.043 13.979 -1.481 190 HB2 PRO 39 HB2 PRO 39 5.717 12.388 0.395 191 HB3 PRO 39 HB1 PRO 39 6.119 13.034 -1.203 192 HG2 PRO 39 HG2 PRO 39 7.079 14.186 0.980 193 HG3 PRO 39 HG1 PRO 39 6.536 15.161 -0.402 194 HD2 PRO 39 HD2 PRO 39 5.190 14.678 2.212 195 HD3 PRO 39 HD1 PRO 39 5.224 16.142 1.207 196 H LEU 40 HN LEU 40 3.038 12.261 -2.307 197 HA LEU 40 HA LEU 40 1.268 10.726 -0.661 198 HB2 LEU 40 HB2 LEU 40 1.977 10.573 -3.587 199 HB3 LEU 40 HB1 LEU 40 0.809 9.508 -2.831 200 HG LEU 40 HG LEU 40 0.559 12.514 -2.903 201 HD11 LEU 40 HD11 LEU 40 -1.219 12.103 -4.560 202 HD12 LEU 40 HD12 LEU 40 -0.752 10.403 -4.606 203 HD13 LEU 40 HD13 LEU 40 0.379 11.643 -5.146 204 HD21 LEU 40 HD21 LEU 40 -1.357 10.342 -2.070 205 HD22 LEU 40 HD22 LEU 40 -1.764 12.051 -2.222 206 HD23 LEU 40 HD23 LEU 40 -0.590 11.528 -1.015 207 H SER 41 HN SER 41 4.518 10.439 -1.306 208 HA SER 41 HA SER 41 4.902 7.685 -1.625 209 HB2 SER 41 HB2 SER 41 6.970 8.832 0.014 210 HB3 SER 41 HB1 SER 41 7.038 8.377 -1.691 211 HG SER 41 HG SER 41 6.923 10.405 -2.194 212 H LYS 42 HN LYS 42 4.462 9.705 1.216 213 HA LYS 42 HA LYS 42 4.916 7.692 3.164 214 HB2 LYS 42 HB2 LYS 42 3.424 10.316 3.242 215 HB3 LYS 42 HB1 LYS 42 3.569 9.273 4.645 216 HG2 LYS 42 HG2 LYS 42 6.041 9.455 4.454 217 HG3 LYS 42 HG1 LYS 42 5.801 10.638 3.164 218 HD2 LYS 42 HD2 LYS 42 5.100 12.258 4.593 219 HD3 LYS 42 HD1 LYS 42 4.316 11.110 5.680 220 HE2 LYS 42 HE2 LYS 42 6.695 10.388 6.314 221 HE3 LYS 42 HE1 LYS 42 7.215 11.877 5.526 222 HZ1 LYS 42 HZ1 LYS 42 6.858 12.807 7.517 223 HZ2 LYS 42 HZ2 LYS 42 5.925 11.496 8.075 224 HZ3 LYS 42 HZ3 LYS 42 5.206 12.710 7.140 225 H LEU 43 HN LEU 43 2.124 8.856 1.416 226 HA LEU 43 HA LEU 43 0.105 7.545 2.853 227 HB2 LEU 43 HB2 LEU 43 -0.136 9.392 1.137 228 HB3 LEU 43 HB1 LEU 43 0.082 8.165 -0.094 229 HG LEU 43 HG LEU 43 -2.054 7.628 1.878 230 HD11 LEU 43 HD11 LEU 43 -2.322 10.031 1.549 231 HD12 LEU 43 HD12 LEU 43 -3.632 9.131 0.787 232 HD13 LEU 43 HD13 LEU 43 -2.331 9.798 -0.199 233 HD21 LEU 43 HD21 LEU 43 -1.873 7.465 -1.131 234 HD22 LEU 43 HD22 LEU 43 -3.223 6.892 -0.151 235 HD23 LEU 43 HD23 LEU 43 -1.638 6.133 0.002 236 H MET 44 HN MET 44 2.014 6.549 0.049 237 HA MET 44 HA MET 44 0.674 4.107 -0.389 238 HB2 MET 44 HB2 MET 44 3.466 4.999 -1.110 239 HB3 MET 44 HB1 MET 44 2.765 3.478 -1.644 240 HG2 MET 44 HG2 MET 44 0.914 4.818 -2.687 241 HG3 MET 44 HG1 MET 44 1.857 6.261 -2.326 242 HE1 MET 44 HE1 MET 44 4.089 6.929 -3.531 243 HE2 MET 44 HE2 MET 44 5.013 5.823 -4.549 244 HE3 MET 44 HE3 MET 44 4.806 5.478 -2.833 245 H LYS 45 HN LYS 45 3.676 4.862 1.356 246 HA LYS 45 HA LYS 45 4.228 2.217 2.149 247 HB2 LYS 45 HB2 LYS 45 5.099 4.897 3.188 248 HB3 LYS 45 HB1 LYS 45 5.598 3.406 3.977 249 HG2 LYS 45 HG2 LYS 45 6.633 2.642 1.911 250 HG3 LYS 45 HG1 LYS 45 6.105 4.114 1.092 251 HD2 LYS 45 HD2 LYS 45 7.459 5.455 2.611 252 HD3 LYS 45 HD1 LYS 45 7.964 3.997 3.466 253 HE2 LYS 45 HE2 LYS 45 8.956 3.165 1.347 254 HE3 LYS 45 HE1 LYS 45 8.554 4.710 0.597 255 HZ1 LYS 45 HZ1 LYS 45 10.807 4.794 1.295 256 HZ2 LYS 45 HZ2 LYS 45 10.428 4.246 2.849 257 HZ3 LYS 45 HZ3 LYS 45 9.929 5.784 2.346 258 H ALA 46 HN ALA 46 2.456 4.829 3.778 259 HA ALA 46 HA ALA 46 2.054 3.589 6.241 260 HB1 ALA 46 HB1 ALA 46 1.527 5.907 5.953 261 HB2 ALA 46 HB2 ALA 46 0.055 5.060 6.436 262 HB3 ALA 46 HB3 ALA 46 0.296 5.527 4.751 263 H TYR 47 HN TYR 47 0.205 3.327 3.238 264 HA TYR 47 HA TYR 47 -1.903 1.767 4.267 265 HB2 TYR 47 HB2 TYR 47 -1.828 2.962 2.030 266 HB3 TYR 47 HB1 TYR 47 -0.825 1.638 1.449 267 HD1 TYR 47 HD1 TYR 47 -1.789 -0.424 0.785 268 HD2 TYR 47 HD2 TYR 47 -4.177 2.478 2.781 269 HE1 TYR 47 HE1 TYR 47 -3.807 -1.716 0.240 270 HE2 TYR 47 HE2 TYR 47 -6.204 1.192 2.237 271 HH TYR 47 HH TYR 47 -6.954 -0.459 0.623 272 H CYS 48 HN CYS 48 1.166 0.899 2.730 273 HA CYS 48 HA CYS 48 0.797 -1.895 2.773 274 HB2 CYS 48 HB2 CYS 48 3.361 -0.295 2.841 275 HB3 CYS 48 HB1 CYS 48 3.242 -2.010 2.460 276 HG CYS 48 HG CYS 48 2.431 -1.790 -0.015 277 H GLU 49 HN GLU 49 2.074 0.366 5.140 278 HA GLU 49 HA GLU 49 3.191 -1.479 6.939 279 HB2 GLU 49 HB2 GLU 49 2.068 1.294 7.298 280 HB3 GLU 49 HB1 GLU 49 2.778 0.392 8.631 281 HG2 GLU 49 HG2 GLU 49 4.306 0.801 6.094 282 HG3 GLU 49 HG1 GLU 49 4.236 2.066 7.322 283 H ARG 50 HN ARG 50 -0.080 -0.158 6.669 284 HA ARG 50 HA ARG 50 -1.050 -1.409 9.044 285 HB2 ARG 50 HB2 ARG 50 -2.066 0.618 7.980 286 HB3 ARG 50 HB1 ARG 50 -2.655 -0.414 6.686 287 HG2 ARG 50 HG2 ARG 50 -4.269 -1.375 7.997 288 HG3 ARG 50 HG1 ARG 50 -3.368 -1.114 9.493 289 HD2 ARG 50 HD2 ARG 50 -4.638 1.076 7.872 290 HD3 ARG 50 HD1 ARG 50 -5.379 0.312 9.277 291 HE ARG 50 HE ARG 50 -2.853 1.840 9.368 292 HH11 ARG 50 HH11 ARG 50 -5.954 0.881 10.766 293 HH12 ARG 50 HH12 ARG 50 -5.614 1.735 12.327 294 HH21 ARG 50 HH21 ARG 50 -3.697 2.955 12.591 295 HH22 ARG 50 HH22 ARG 50 -2.466 3.010 11.272 296 H GLN 51 HN GLN 51 -0.910 -2.340 5.657 297 HA GLN 51 HA GLN 51 -2.544 -4.694 6.115 298 HB2 GLN 51 HB2 GLN 51 -1.038 -3.766 3.661 299 HB3 GLN 51 HB1 GLN 51 -2.081 -5.180 3.722 300 HG2 GLN 51 HG2 GLN 51 -2.946 -2.338 4.200 301 HG3 GLN 51 HG1 GLN 51 -3.215 -3.271 2.729 302 HE21 GLN 51 HE21 GLN 51 -4.730 -4.927 2.732 303 HE22 GLN 51 HE22 GLN 51 -5.935 -5.074 3.963 304 H GLY 52 HN GLY 52 0.658 -3.880 6.582 305 HA2 GLY 52 HA2 GLY 52 2.476 -5.127 7.211 306 HA3 GLY 52 HA1 GLY 52 1.409 -6.521 7.295 307 H LEU 53 HN LEU 53 2.153 -4.487 4.501 308 HA LEU 53 HA LEU 53 3.532 -6.770 3.254 309 HB2 LEU 53 HB2 LEU 53 1.432 -5.031 1.940 310 HB3 LEU 53 HB1 LEU 53 2.403 -6.235 1.114 311 HG LEU 53 HG LEU 53 0.461 -6.858 3.341 312 HD11 LEU 53 HD11 LEU 53 -0.967 -7.768 1.554 313 HD12 LEU 53 HD12 LEU 53 0.140 -7.099 0.354 314 HD13 LEU 53 HD13 LEU 53 -0.754 -6.022 1.424 315 HD21 LEU 53 HD21 LEU 53 2.231 -8.495 3.158 316 HD22 LEU 53 HD22 LEU 53 1.978 -8.618 1.418 317 HD23 LEU 53 HD23 LEU 53 0.729 -9.172 2.532 318 H SER 54 HN SER 54 4.677 -6.021 1.194 319 HA SER 54 HA SER 54 6.213 -3.663 1.880 320 HB2 SER 54 HB2 SER 54 7.234 -5.845 1.051 321 HB3 SER 54 HB1 SER 54 6.580 -5.447 -0.536 322 HG SER 54 HG SER 54 8.707 -4.330 0.852 323 H MET 55 HN MET 55 6.601 -1.926 0.382 324 HA MET 55 HA MET 55 4.217 -1.022 -0.896 325 HB2 MET 55 HB2 MET 55 6.050 0.405 0.205 326 HB3 MET 55 HB1 MET 55 6.943 0.199 -1.293 327 HG2 MET 55 HG2 MET 55 5.016 1.172 -2.513 328 HG3 MET 55 HG1 MET 55 4.252 1.493 -0.956 329 HE1 MET 55 HE1 MET 55 6.940 2.443 -3.518 330 HE2 MET 55 HE2 MET 55 8.037 1.901 -2.247 331 HE3 MET 55 HE3 MET 55 7.957 3.610 -2.675 332 H ARG 56 HN ARG 56 7.043 -2.710 -1.938 333 HA ARG 56 HA ARG 56 6.573 -2.192 -4.750 334 HB2 ARG 56 HB2 ARG 56 8.871 -2.462 -3.771 335 HB3 ARG 56 HB1 ARG 56 8.491 -4.155 -3.481 336 HG2 ARG 56 HG2 ARG 56 8.240 -4.542 -5.857 337 HG3 ARG 56 HG1 ARG 56 8.513 -2.829 -6.189 338 HD2 ARG 56 HD2 ARG 56 10.736 -3.035 -6.003 339 HD3 ARG 56 HD1 ARG 56 10.612 -4.062 -4.575 340 HE ARG 56 HE ARG 56 9.834 -5.610 -6.736 341 HH11 ARG 56 HH11 ARG 56 13.837 -5.015 -6.466 342 HH12 ARG 56 HH12 ARG 56 12.695 -3.843 -5.708 343 HH21 ARG 56 HH21 ARG 56 13.020 -6.844 -7.610 344 HH22 ARG 56 HH22 ARG 56 11.241 -7.114 -7.744 345 H GLN 57 HN GLN 57 5.189 -4.148 -2.475 346 HA GLN 57 HA GLN 57 4.845 -6.505 -4.117 347 HB2 GLN 57 HB2 GLN 57 4.997 -6.348 -1.516 348 HB3 GLN 57 HB1 GLN 57 3.291 -5.939 -1.613 349 HG2 GLN 57 HG2 GLN 57 2.783 -8.041 -2.636 350 HG3 GLN 57 HG1 GLN 57 4.493 -8.440 -2.775 351 HE21 GLN 57 HE21 GLN 57 2.421 -9.942 -1.454 352 HE22 GLN 57 HE22 GLN 57 2.881 -10.076 0.207 353 H ILE 58 HN ILE 58 3.209 -3.531 -3.527 354 HA ILE 58 HA ILE 58 0.963 -4.479 -5.167 355 HB ILE 58 HB ILE 58 -0.507 -2.862 -3.943 356 HG12 ILE 58 HG12 ILE 58 1.771 -2.834 -1.950 357 HG13 ILE 58 HG11 ILE 58 1.306 -1.478 -2.970 358 HG21 ILE 58 HG21 ILE 58 -0.629 -5.233 -3.488 359 HG22 ILE 58 HG22 ILE 58 -0.837 -4.325 -1.988 360 HG23 ILE 58 HG23 ILE 58 0.703 -5.109 -2.340 361 HD11 ILE 58 HD11 ILE 58 -0.374 -2.754 -0.821 362 HD12 ILE 58 HD12 ILE 58 -0.885 -1.425 -1.861 363 HD13 ILE 58 HD13 ILE 58 0.448 -1.196 -0.731 364 H ARG 59 HN ARG 59 -0.341 -2.356 -5.879 365 HA ARG 59 HA ARG 59 1.585 -0.315 -6.764 366 HB2 ARG 59 HB2 ARG 59 -0.442 -1.699 -8.533 367 HB3 ARG 59 HB1 ARG 59 0.551 -0.330 -9.010 368 HG2 ARG 59 HG2 ARG 59 1.635 -3.011 -8.172 369 HG3 ARG 59 HG1 ARG 59 1.378 -2.508 -9.843 370 HD2 ARG 59 HD2 ARG 59 2.919 -0.607 -9.464 371 HD3 ARG 59 HD1 ARG 59 3.222 -1.214 -7.838 372 HE ARG 59 HE ARG 59 4.097 -2.437 -10.350 373 HH11 ARG 59 HH11 ARG 59 5.374 -3.638 -6.689 374 HH12 ARG 59 HH12 ARG 59 3.998 -2.473 -6.826 375 HH21 ARG 59 HH21 ARG 59 5.845 -3.901 -10.220 376 HH22 ARG 59 HH22 ARG 59 6.419 -4.429 -8.592 377 H PHE 60 HN PHE 60 0.680 1.740 -7.179 378 HA PHE 60 HA PHE 60 -2.091 2.081 -6.230 379 HB2 PHE 60 HB2 PHE 60 0.340 3.792 -5.706 380 HB3 PHE 60 HB1 PHE 60 -1.302 4.364 -5.441 381 HD1 PHE 60 HD1 PHE 60 1.242 1.946 -4.340 382 HD2 PHE 60 HD2 PHE 60 -2.556 3.686 -3.556 383 HE1 PHE 60 HE1 PHE 60 1.263 0.959 -2.087 384 HE2 PHE 60 HE2 PHE 60 -2.549 2.703 -1.300 385 HZ PHE 60 HZ PHE 60 -0.636 1.337 -0.563 386 H ARG 61 HN ARG 61 -3.404 3.442 -7.396 387 HA ARG 61 HA ARG 61 -2.206 4.890 -9.649 388 HB2 ARG 61 HB2 ARG 61 -4.442 2.881 -9.811 389 HB3 ARG 61 HB1 ARG 61 -4.210 4.116 -11.038 390 HG2 ARG 61 HG2 ARG 61 -1.917 3.239 -11.405 391 HG3 ARG 61 HG1 ARG 61 -2.289 1.934 -10.278 392 HD2 ARG 61 HD2 ARG 61 -4.210 1.314 -11.731 393 HD3 ARG 61 HD1 ARG 61 -3.663 2.518 -12.894 394 HE ARG 61 HE ARG 61 -1.727 0.493 -12.111 395 HH11 ARG 61 HH11 ARG 61 -3.460 0.548 -15.773 396 HH12 ARG 61 HH12 ARG 61 -4.126 1.575 -14.451 397 HH21 ARG 61 HH21 ARG 61 -0.853 -0.812 -13.760 398 HH22 ARG 61 HH22 ARG 61 -1.625 -0.785 -15.388 399 H PHE 62 HN PHE 62 -3.286 6.683 -10.333 400 HA PHE 62 HA PHE 62 -5.747 7.451 -8.925 401 HB2 PHE 62 HB2 PHE 62 -4.055 8.649 -7.709 402 HB3 PHE 62 HB1 PHE 62 -3.223 9.104 -9.194 403 HD1 PHE 62 HD1 PHE 62 -6.428 9.577 -7.364 404 HD2 PHE 62 HD2 PHE 62 -3.683 11.139 -10.221 405 HE1 PHE 62 HE1 PHE 62 -7.710 11.678 -7.443 406 HE2 PHE 62 HE2 PHE 62 -4.959 13.242 -10.302 407 HZ PHE 62 HZ PHE 62 -6.974 13.513 -8.913 408 H ASP 63 HN ASP 63 -7.249 7.951 -10.388 409 HA ASP 63 HA ASP 63 -8.271 8.619 -12.305 410 HB2 ASP 63 HB2 ASP 63 -6.941 10.714 -11.909 411 HB3 ASP 63 HB1 ASP 63 -5.689 10.063 -12.960 412 H GLY 64 HN GLY 64 -6.256 6.326 -12.073 413 HA2 GLY 64 HA2 GLY 64 -6.170 4.489 -13.575 414 HA3 GLY 64 HA1 GLY 64 -6.317 5.613 -14.918 415 H GLN 65 HN GLN 65 -4.258 7.316 -13.420 416 HA GLN 65 HA GLN 65 -1.949 6.066 -14.685 417 HB2 GLN 65 HB2 GLN 65 -2.211 8.802 -13.423 418 HB3 GLN 65 HB1 GLN 65 -0.867 8.233 -14.402 419 HG2 GLN 65 HG2 GLN 65 -3.679 8.425 -15.437 420 HG3 GLN 65 HG1 GLN 65 -2.516 9.746 -15.544 421 HE21 GLN 65 HE21 GLN 65 -0.770 9.574 -16.925 422 HE22 GLN 65 HE22 GLN 65 -0.707 8.384 -18.182 423 HA PRO 66 HA PRO 66 -0.408 4.521 -10.788 424 HB2 PRO 66 HB2 PRO 66 2.227 4.727 -12.137 425 HB3 PRO 66 HB1 PRO 66 1.451 3.321 -11.393 426 HG2 PRO 66 HG2 PRO 66 1.614 3.510 -14.032 427 HG3 PRO 66 HG1 PRO 66 0.155 2.870 -13.254 428 HD2 PRO 66 HD2 PRO 66 0.619 5.581 -14.427 429 HD3 PRO 66 HD1 PRO 66 -0.815 4.538 -14.528 430 H ILE 67 HN ILE 67 0.206 5.553 -8.995 431 HA ILE 67 HA ILE 67 0.970 8.305 -9.096 432 HB ILE 67 HB ILE 67 0.867 6.447 -6.713 433 HG12 ILE 67 HG12 ILE 67 -1.231 8.340 -7.802 434 HG13 ILE 67 HG11 ILE 67 -1.286 6.584 -7.906 435 HG21 ILE 67 HG21 ILE 67 0.840 9.462 -6.845 436 HG22 ILE 67 HG22 ILE 67 2.177 8.460 -6.279 437 HG23 ILE 67 HG23 ILE 67 0.658 8.491 -5.383 438 HD11 ILE 67 HD11 ILE 67 -1.383 6.457 -5.460 439 HD12 ILE 67 HD12 ILE 67 -2.723 7.382 -6.136 440 HD13 ILE 67 HD13 ILE 67 -1.369 8.219 -5.381 441 H ASN 68 HN ASN 68 2.927 9.244 -8.741 442 HA ASN 68 HA ASN 68 5.242 7.470 -8.840 443 HB2 ASN 68 HB2 ASN 68 5.139 10.493 -9.019 444 HB3 ASN 68 HB1 ASN 68 6.535 9.478 -9.359 445 HD21 ASN 68 HD21 ASN 68 3.553 10.736 -10.529 446 HD22 ASN 68 HD22 ASN 68 3.697 10.133 -12.148 447 H GLU 69 HN GLU 69 7.114 7.929 -7.431 448 HA GLU 69 HA GLU 69 6.307 8.044 -4.706 449 HB2 GLU 69 HB2 GLU 69 9.035 8.034 -5.994 450 HB3 GLU 69 HB1 GLU 69 8.791 8.000 -4.254 451 HG2 GLU 69 HG2 GLU 69 7.653 5.897 -4.392 452 HG3 GLU 69 HG1 GLU 69 7.683 5.948 -6.154 453 H THR 70 HN THR 70 7.311 10.445 -6.954 454 HA THR 70 HA THR 70 7.770 12.377 -4.791 455 HB THR 70 HB THR 70 8.181 13.179 -7.622 456 HG1 THR 70 HG1 THR 70 10.443 12.067 -6.997 457 HG21 THR 70 HG21 THR 70 8.682 14.689 -5.751 458 HG22 THR 70 HG22 THR 70 10.139 14.283 -6.655 459 HG23 THR 70 HG23 THR 70 9.819 13.507 -5.104 460 H ASP 71 HN ASP 71 5.131 11.293 -5.887 461 HA ASP 71 HA ASP 71 3.923 13.671 -7.032 462 HB2 ASP 71 HB2 ASP 71 3.188 10.841 -6.791 463 HB3 ASP 71 HB1 ASP 71 1.844 11.952 -6.559 464 H THR 72 HN THR 72 2.229 14.819 -6.092 465 HA THR 72 HA THR 72 1.700 14.351 -3.241 466 HB THR 72 HB THR 72 1.718 16.881 -2.945 467 HG1 THR 72 HG1 THR 72 3.445 17.660 -4.649 468 HG21 THR 72 HG21 THR 72 4.212 15.288 -3.426 469 HG22 THR 72 HG22 THR 72 3.492 15.794 -1.896 470 HG23 THR 72 HG23 THR 72 4.297 16.977 -2.926 471 HA PRO 73 HA PRO 73 -2.569 14.987 -4.259 472 HB2 PRO 73 HB2 PRO 73 -2.739 16.982 -2.065 473 HB3 PRO 73 HB1 PRO 73 -3.681 15.506 -2.321 474 HG2 PRO 73 HG2 PRO 73 -1.815 15.598 -0.436 475 HG3 PRO 73 HG1 PRO 73 -2.065 14.136 -1.410 476 HD2 PRO 73 HD2 PRO 73 0.089 16.190 -1.617 477 HD3 PRO 73 HD1 PRO 73 0.179 14.430 -1.832 478 H ALA 74 HN ALA 74 -0.589 17.836 -3.656 479 HA ALA 74 HA ALA 74 -2.357 19.613 -5.082 480 HB1 ALA 74 HB1 ALA 74 -0.693 21.308 -4.678 481 HB2 ALA 74 HB2 ALA 74 0.482 20.086 -4.189 482 HB3 ALA 74 HB3 ALA 74 -0.951 20.377 -3.203 483 H GLN 75 HN GLN 75 0.468 17.686 -5.809 484 HA GLN 75 HA GLN 75 1.216 18.953 -8.224 485 HB2 GLN 75 HB2 GLN 75 2.286 16.972 -6.706 486 HB3 GLN 75 HB1 GLN 75 1.613 16.031 -8.028 487 HG2 GLN 75 HG2 GLN 75 3.949 16.594 -8.427 488 HG3 GLN 75 HG1 GLN 75 2.889 17.326 -9.633 489 HE21 GLN 75 HE21 GLN 75 4.509 18.841 -10.117 490 HE22 GLN 75 HE22 GLN 75 4.819 20.189 -9.075 491 H LEU 76 HN LEU 76 -0.913 16.225 -7.509 492 HA LEU 76 HA LEU 76 -1.733 16.053 -10.298 493 HB2 LEU 76 HB2 LEU 76 -2.685 14.462 -7.914 494 HB3 LEU 76 HB1 LEU 76 -3.000 14.100 -9.600 495 HG LEU 76 HG LEU 76 -0.213 14.154 -8.459 496 HD11 LEU 76 HD11 LEU 76 -2.082 11.806 -8.715 497 HD12 LEU 76 HD12 LEU 76 -1.481 12.506 -7.212 498 HD13 LEU 76 HD13 LEU 76 -0.366 11.710 -8.324 499 HD21 LEU 76 HD21 LEU 76 0.380 12.934 -10.422 500 HD22 LEU 76 HD22 LEU 76 -0.558 14.338 -10.935 501 HD23 LEU 76 HD23 LEU 76 -1.311 12.743 -10.885 502 H GLU 77 HN GLU 77 -2.455 17.957 -7.780 503 HA GLU 77 HA GLU 77 -4.195 19.190 -7.042 504 HB2 GLU 77 HB2 GLU 77 -4.572 19.103 -10.007 505 HB3 GLU 77 HB1 GLU 77 -5.741 19.952 -9.003 506 HG2 GLU 77 HG2 GLU 77 -2.785 20.492 -8.932 507 HG3 GLU 77 HG1 GLU 77 -3.916 21.363 -9.964 508 H MET 78 HN MET 78 -4.704 16.940 -6.102 509 HA MET 78 HA MET 78 -7.177 15.750 -7.006 510 HB2 MET 78 HB2 MET 78 -5.686 15.246 -4.425 511 HB3 MET 78 HB1 MET 78 -6.871 14.196 -5.187 512 HG2 MET 78 HG2 MET 78 -5.390 13.587 -6.899 513 HG3 MET 78 HG1 MET 78 -4.293 14.916 -6.529 514 HE1 MET 78 HE1 MET 78 -5.549 11.374 -5.613 515 HE2 MET 78 HE2 MET 78 -6.057 12.245 -4.166 516 HE3 MET 78 HE3 MET 78 -4.763 11.052 -4.067 517 H GLU 79 HN GLU 79 -8.947 15.423 -5.311 518 HA GLU 79 HA GLU 79 -9.211 17.846 -3.673 519 HB2 GLU 79 HB2 GLU 79 -10.909 16.962 -5.874 520 HB3 GLU 79 HB1 GLU 79 -11.804 17.254 -4.386 521 HG2 GLU 79 HG2 GLU 79 -10.185 19.158 -6.018 522 HG3 GLU 79 HG1 GLU 79 -11.842 19.315 -5.439 523 H ASP 80 HN ASP 80 -11.216 17.589 -2.186 524 HA ASP 80 HA ASP 80 -10.616 15.468 -0.426 525 HB2 ASP 80 HB2 ASP 80 -11.655 17.766 0.106 526 HB3 ASP 80 HB1 ASP 80 -13.189 17.025 -0.340 527 H GLU 81 HN GLU 81 -11.531 13.567 -0.051 528 HA GLU 81 HA GLU 81 -12.781 11.708 -0.265 529 HB2 GLU 81 HB2 GLU 81 -14.684 13.688 -1.428 530 HB3 GLU 81 HB1 GLU 81 -15.001 11.976 -1.661 531 HG2 GLU 81 HG2 GLU 81 -14.494 11.999 0.980 532 HG3 GLU 81 HG1 GLU 81 -15.161 13.618 0.774 533 H ASP 82 HN ASP 82 -10.803 12.711 -2.290 534 HA ASP 82 HA ASP 82 -11.601 11.628 -4.809 535 HB2 ASP 82 HB2 ASP 82 -9.453 13.159 -3.919 536 HB3 ASP 82 HB1 ASP 82 -8.718 11.616 -4.346 537 H THR 83 HN THR 83 -10.670 9.681 -5.794 538 HA THR 83 HA THR 83 -10.401 7.577 -3.757 539 HB THR 83 HB THR 83 -10.955 6.838 -6.576 540 HG1 THR 83 HG1 THR 83 -12.599 8.470 -5.006 541 HG21 THR 83 HG21 THR 83 -12.356 5.167 -5.509 542 HG22 THR 83 HG22 THR 83 -12.148 5.952 -3.944 543 HG23 THR 83 HG23 THR 83 -10.771 5.185 -4.734 544 H ILE 84 HN ILE 84 -8.674 6.314 -3.647 545 HA ILE 84 HA ILE 84 -6.621 6.570 -5.747 546 HB ILE 84 HB ILE 84 -6.273 6.046 -2.789 547 HG12 ILE 84 HG12 ILE 84 -5.316 8.308 -4.561 548 HG13 ILE 84 HG11 ILE 84 -6.665 8.401 -3.436 549 HG21 ILE 84 HG21 ILE 84 -3.861 5.975 -3.242 550 HG22 ILE 84 HG22 ILE 84 -4.189 6.070 -4.972 551 HG23 ILE 84 HG23 ILE 84 -4.718 4.662 -4.050 552 HD11 ILE 84 HD11 ILE 84 -3.870 7.758 -2.557 553 HD12 ILE 84 HD12 ILE 84 -5.241 8.267 -1.571 554 HD13 ILE 84 HD13 ILE 84 -4.483 9.406 -2.684 555 H ASP 85 HN ASP 85 -6.352 4.830 -6.912 556 HA ASP 85 HA ASP 85 -7.629 2.342 -6.248 557 HB2 ASP 85 HB2 ASP 85 -6.051 3.353 -8.595 558 HB3 ASP 85 HB1 ASP 85 -6.456 1.648 -8.455 559 H VAL 86 HN VAL 86 -6.743 0.490 -5.569 560 HA VAL 86 HA VAL 86 -3.814 0.368 -5.251 561 HB VAL 86 HB VAL 86 -5.878 -0.876 -3.412 562 HG11 VAL 86 HG11 VAL 86 -3.948 -1.418 -1.993 563 HG12 VAL 86 HG12 VAL 86 -2.868 -0.773 -3.229 564 HG13 VAL 86 HG13 VAL 86 -3.845 -2.200 -3.570 565 HG21 VAL 86 HG21 VAL 86 -5.094 0.746 -1.748 566 HG22 VAL 86 HG22 VAL 86 -5.809 1.547 -3.149 567 HG23 VAL 86 HG23 VAL 86 -4.054 1.486 -2.964 568 H PHE 87 HN PHE 87 -2.915 -1.234 -6.389 569 HA PHE 87 HA PHE 87 -4.606 -3.539 -7.116 570 HB2 PHE 87 HB2 PHE 87 -2.565 -2.062 -8.778 571 HB3 PHE 87 HB1 PHE 87 -3.166 -3.660 -9.206 572 HD1 PHE 87 HD1 PHE 87 -5.565 -3.968 -9.724 573 HD2 PHE 87 HD2 PHE 87 -3.841 -0.118 -9.199 574 HE1 PHE 87 HE1 PHE 87 -7.490 -2.955 -10.861 575 HE2 PHE 87 HE2 PHE 87 -5.770 0.903 -10.339 576 HZ PHE 87 HZ PHE 87 -7.598 -0.517 -11.170 577 H GLN 88 HN GLN 88 -3.346 -5.495 -7.682 578 HA GLN 88 HA GLN 88 -1.133 -5.840 -5.788 579 HB2 GLN 88 HB2 GLN 88 -3.053 -7.757 -7.097 580 HB3 GLN 88 HB1 GLN 88 -1.595 -8.316 -6.290 581 HG2 GLN 88 HG2 GLN 88 -3.610 -6.583 -4.906 582 HG3 GLN 88 HG1 GLN 88 -3.772 -8.337 -4.974 583 HE21 GLN 88 HE21 GLN 88 -3.414 -6.639 -2.669 584 HE22 GLN 88 HE22 GLN 88 -1.967 -7.163 -1.889 585 H GLN 89 HN GLN 89 0.660 -7.270 -6.498 586 HA GLN 89 HA GLN 89 1.346 -6.672 -9.287 587 HB2 GLN 89 HB2 GLN 89 2.892 -5.900 -7.498 588 HB3 GLN 89 HB1 GLN 89 3.145 -7.576 -7.027 589 HG2 GLN 89 HG2 GLN 89 4.948 -6.622 -8.430 590 HG3 GLN 89 HG1 GLN 89 4.206 -8.074 -9.099 591 HE21 GLN 89 HE21 GLN 89 4.815 -7.607 -11.185 592 HE22 GLN 89 HE22 GLN 89 4.100 -6.331 -12.105 593 H GLN 90 HN GLN 90 1.978 -8.256 -10.714 594 HA GLN 90 HA GLN 90 0.841 -10.825 -10.386 595 HB2 GLN 90 HB2 GLN 90 2.757 -9.701 -12.430 596 HB3 GLN 90 HB1 GLN 90 2.142 -11.345 -12.511 597 HG2 GLN 90 HG2 GLN 90 0.791 -10.084 -13.957 598 HG3 GLN 90 HG1 GLN 90 -0.177 -10.333 -12.507 599 HE21 GLN 90 HE21 GLN 90 -1.459 -8.554 -13.045 600 HE22 GLN 90 HE22 GLN 90 -0.901 -6.935 -12.812 601 H THR 91 HN THR 91 1.620 -12.177 -8.887 602 HA THR 91 HA THR 91 4.345 -12.296 -8.102 603 HB THR 91 HB THR 91 2.802 -14.670 -7.441 604 HG1 THR 91 HG1 THR 91 1.375 -13.162 -6.069 605 HG21 THR 91 HG21 THR 91 4.752 -13.832 -6.185 606 HG22 THR 91 HG22 THR 91 3.318 -13.958 -5.168 607 HG23 THR 91 HG23 THR 91 3.840 -12.383 -5.761 608 H GLY 92 HN GLY 92 2.660 -13.743 -10.713 609 HA2 GLY 92 HA2 GLY 92 4.899 -15.639 -11.060 610 HA3 GLY 92 HA1 GLY 92 3.245 -16.049 -11.490 611 H ASN 357 HT1 ASN 357 -19.270 -3.127 6.040 612 HA ASN 357 HA ASN 357 -17.593 -1.394 4.341 613 HB2 ASN 357 HB2 ASN 357 -19.704 -0.304 4.695 614 HB3 ASN 357 HB1 ASN 357 -19.698 -0.729 6.404 615 HD21 ASN 357 HD21 ASN 357 -19.778 1.340 7.198 616 HD22 ASN 357 HD22 ASN 357 -18.500 2.487 6.998 617 H ASN 358 HN ASN 358 -15.595 -1.417 5.059 618 HA ASN 358 HA ASN 358 -15.129 -1.669 7.960 619 HB2 ASN 358 HB2 ASN 358 -14.272 -3.639 6.734 620 HB3 ASN 358 HB1 ASN 358 -13.303 -2.579 5.714 621 HD21 ASN 358 HD21 ASN 358 -11.329 -3.361 6.302 622 HD22 ASN 358 HD22 ASN 358 -10.666 -3.166 7.893 623 H ARG 359 HN ARG 359 -14.023 -0.029 8.890 624 HA ARG 359 HA ARG 359 -12.861 1.955 7.060 625 HB2 ARG 359 HB2 ARG 359 -13.433 3.410 9.290 626 HB3 ARG 359 HB1 ARG 359 -14.471 3.305 7.872 627 HG2 ARG 359 HG2 ARG 359 -15.691 1.435 8.957 628 HG3 ARG 359 HG1 ARG 359 -14.700 1.677 10.397 629 HD2 ARG 359 HD2 ARG 359 -15.604 3.831 10.769 630 HD3 ARG 359 HD1 ARG 359 -16.364 3.865 9.178 631 HE ARG 359 HE ARG 359 -17.873 2.110 9.993 632 HH11 ARG 359 HH11 ARG 359 -17.321 3.722 13.666 633 HH12 ARG 359 HH12 ARG 359 -16.089 3.995 12.382 634 HH21 ARG 359 HH21 ARG 359 -19.444 1.744 11.611 635 HH22 ARG 359 HH22 ARG 359 -19.189 2.466 13.247 636 H ASP 360 HN ASP 360 -10.855 2.395 7.321 637 HA ASP 360 HA ASP 360 -9.513 1.719 9.844 638 HB2 ASP 360 HB2 ASP 360 -8.961 0.756 7.215 639 HB3 ASP 360 HB1 ASP 360 -7.631 1.793 7.717 640 HA PRO 361 HA PRO 361 -8.350 5.992 9.358 641 HB2 PRO 361 HB2 PRO 361 -7.682 6.412 11.907 642 HB3 PRO 361 HB1 PRO 361 -9.343 5.985 11.473 643 HG2 PRO 361 HG2 PRO 361 -7.317 4.355 12.852 644 HG3 PRO 361 HG1 PRO 361 -9.082 4.186 12.838 645 HD2 PRO 361 HD2 PRO 361 -7.115 2.772 11.214 646 HD3 PRO 361 HD1 PRO 361 -8.868 2.500 11.353 647 H ILE 362 HN ILE 362 -6.586 6.849 8.536 648 HA ILE 362 HA ILE 362 -3.949 5.963 9.493 649 HB ILE 362 HB ILE 362 -4.416 7.003 6.716 650 HG12 ILE 362 HG12 ILE 362 -5.807 4.889 7.281 651 HG13 ILE 362 HG11 ILE 362 -4.792 4.825 5.850 652 HG21 ILE 362 HG21 ILE 362 -2.311 5.840 6.260 653 HG22 ILE 362 HG22 ILE 362 -2.256 5.292 7.935 654 HG23 ILE 362 HG23 ILE 362 -2.137 7.011 7.567 655 HD11 ILE 362 HD11 ILE 362 -3.135 3.897 7.825 656 HD12 ILE 362 HD12 ILE 362 -4.036 2.919 6.668 657 HD13 ILE 362 HD13 ILE 362 -4.709 3.235 8.268 658 H VAL 363 HN VAL 363 -2.578 7.484 10.128 659 HA VAL 363 HA VAL 363 -3.326 10.297 9.646 660 HB VAL 363 HB VAL 363 -1.759 9.325 12.051 661 HG11 VAL 363 HG11 VAL 363 -2.452 11.537 12.946 662 HG12 VAL 363 HG12 VAL 363 -3.174 11.909 11.383 663 HG13 VAL 363 HG13 VAL 363 -1.433 11.659 11.513 664 HG21 VAL 363 HG21 VAL 363 -4.713 9.909 11.871 665 HG22 VAL 363 HG22 VAL 363 -3.821 9.568 13.351 666 HG23 VAL 363 HG23 VAL 363 -3.990 8.325 12.113 667 H ILE 364 HN ILE 364 -1.867 11.568 8.852 668 HA ILE 364 HA ILE 364 0.759 10.440 8.227 669 HB ILE 364 HB ILE 364 -1.139 11.249 6.413 670 HG12 ILE 364 HG12 ILE 364 0.711 11.159 4.780 671 HG13 ILE 364 HG11 ILE 364 1.866 11.248 6.103 672 HG21 ILE 364 HG21 ILE 364 -0.388 13.300 5.388 673 HG22 ILE 364 HG22 ILE 364 0.859 13.496 6.614 674 HG23 ILE 364 HG23 ILE 364 -0.845 13.608 7.060 675 HD11 ILE 364 HD11 ILE 364 0.159 9.113 6.703 676 HD12 ILE 364 HD12 ILE 364 1.845 9.046 6.188 677 HD13 ILE 364 HD13 ILE 364 0.555 8.972 4.990 678 H SEP 365 HN SEP 365 2.527 11.692 8.525 679 HA SEP 365 HA SEP 365 2.099 14.025 10.263 680 HB2 SEP 365 HB1 SEP 365 3.798 13.201 11.538 681 HB3 SEP 365 HB2 SEP 365 4.799 12.898 10.118 682 H ASP 366 HN ASP 366 2.843 15.921 9.608 683 HA ASP 366 HA ASP 366 4.267 15.992 7.033 684 HB2 ASP 366 HB2 ASP 366 1.943 16.804 6.961 685 HB3 ASP 366 HB1 ASP 366 2.302 17.953 8.240 686 H SEP 367 HN SEP 367 6.184 16.837 7.042 687 HA SEP 367 HA SEP 367 7.323 17.945 9.405 688 HB2 SEP 367 HB1 SEP 367 9.350 18.183 7.929 689 HB3 SEP 367 HB2 SEP 367 8.376 17.574 6.596 690 HA PRO 368 HA PRO 368 6.216 22.203 8.708 691 HB2 PRO 368 HB2 PRO 368 8.248 23.250 10.275 692 HB3 PRO 368 HB1 PRO 368 6.673 22.729 10.881 693 HG2 PRO 368 HG2 PRO 368 9.271 21.294 10.935 694 HG3 PRO 368 HG1 PRO 368 7.963 21.312 12.133 695 HD2 PRO 368 HD2 PRO 368 8.343 19.229 10.488 696 HD3 PRO 368 HD1 PRO 368 6.722 19.731 11.005 Start of MODEL 6 1 H ASP 16 HT1 ASP 16 -5.179 23.393 3.858 2 HA ASP 16 HA ASP 16 -5.749 22.795 6.696 3 HB2 ASP 16 HB2 ASP 16 -7.503 23.945 5.053 4 HB3 ASP 16 HB1 ASP 16 -7.681 22.295 4.469 5 H HIS 17 HN HIS 17 -7.134 20.512 6.329 6 HA HIS 17 HA HIS 17 -5.075 18.712 5.276 7 HB2 HIS 17 HB2 HIS 17 -7.400 18.264 7.159 8 HB3 HIS 17 HB1 HIS 17 -6.397 16.958 6.536 9 HD2 HIS 17 HD2 HIS 17 -3.705 16.993 7.438 10 HE1 HIS 17 HE1 HIS 17 -4.578 19.549 10.696 11 HE2 HIS 17 HE2 HIS 17 -2.974 17.808 9.792 12 H ILE 18 HN ILE 18 -5.960 16.643 4.290 13 HA ILE 18 HA ILE 18 -8.374 17.162 2.708 14 HB ILE 18 HB ILE 18 -6.416 17.727 1.309 15 HG12 ILE 18 HG12 ILE 18 -7.744 15.179 0.371 16 HG13 ILE 18 HG11 ILE 18 -8.506 16.768 0.334 17 HG21 ILE 18 HG21 ILE 18 -4.915 15.927 0.532 18 HG22 ILE 18 HG22 ILE 18 -5.631 14.854 1.733 19 HG23 ILE 18 HG23 ILE 18 -4.741 16.285 2.251 20 HD11 ILE 18 HD11 ILE 18 -6.006 15.981 -1.145 21 HD12 ILE 18 HD12 ILE 18 -6.777 17.566 -1.189 22 HD13 ILE 18 HD13 ILE 18 -7.616 16.159 -1.844 23 H ASN 19 HN ASN 19 -9.719 15.467 2.591 24 HA ASN 19 HA ASN 19 -8.863 12.998 3.909 25 HB2 ASN 19 HB2 ASN 19 -11.571 14.121 3.211 26 HB3 ASN 19 HB1 ASN 19 -11.365 12.451 3.730 27 HD21 ASN 19 HD21 ASN 19 -11.357 15.767 4.683 28 HD22 ASN 19 HD22 ASN 19 -11.219 15.500 6.387 29 H LEU 20 HN LEU 20 -7.823 11.716 2.481 30 HA LEU 20 HA LEU 20 -8.953 11.387 -0.197 31 HB2 LEU 20 HB2 LEU 20 -6.356 10.450 1.024 32 HB3 LEU 20 HB1 LEU 20 -6.864 10.050 -0.607 33 HG LEU 20 HG LEU 20 -6.408 12.863 0.404 34 HD11 LEU 20 HD11 LEU 20 -4.662 11.123 -1.331 35 HD12 LEU 20 HD12 LEU 20 -4.319 11.613 0.327 36 HD13 LEU 20 HD13 LEU 20 -4.379 12.821 -0.956 37 HD21 LEU 20 HD21 LEU 20 -6.504 13.442 -1.991 38 HD22 LEU 20 HD22 LEU 20 -8.025 12.781 -1.397 39 HD23 LEU 20 HD23 LEU 20 -6.944 11.775 -2.360 40 H LYS 21 HN LYS 21 -10.050 9.624 -0.812 41 HA LYS 21 HA LYS 21 -10.449 7.541 1.201 42 HB2 LYS 21 HB2 LYS 21 -12.052 8.245 -1.260 43 HB3 LYS 21 HB1 LYS 21 -12.426 6.911 -0.180 44 HG2 LYS 21 HG2 LYS 21 -12.771 8.479 1.654 45 HG3 LYS 21 HG1 LYS 21 -12.377 9.826 0.582 46 HD2 LYS 21 HD2 LYS 21 -14.279 9.150 -0.871 47 HD3 LYS 21 HD1 LYS 21 -14.701 7.919 0.323 48 HE2 LYS 21 HE2 LYS 21 -15.136 9.588 1.982 49 HE3 LYS 21 HE1 LYS 21 -14.503 10.862 0.940 50 HZ1 LYS 21 HZ1 LYS 21 -16.719 11.112 0.592 51 HZ2 LYS 21 HZ2 LYS 21 -17.074 9.472 0.832 52 HZ3 LYS 21 HZ3 LYS 21 -16.392 9.980 -0.628 53 H VAL 22 HN VAL 22 -9.086 5.923 1.002 54 HA VAL 22 HA VAL 22 -8.509 4.877 -1.689 55 HB VAL 22 HB VAL 22 -6.972 4.311 0.859 56 HG11 VAL 22 HG11 VAL 22 -6.759 2.575 -0.830 57 HG12 VAL 22 HG12 VAL 22 -5.246 3.463 -0.652 58 HG13 VAL 22 HG13 VAL 22 -6.299 3.781 -2.031 59 HG21 VAL 22 HG21 VAL 22 -6.238 6.418 0.651 60 HG22 VAL 22 HG22 VAL 22 -6.836 6.568 -0.999 61 HG23 VAL 22 HG23 VAL 22 -5.288 5.782 -0.691 62 H ALA 23 HN ALA 23 -9.088 2.757 -2.137 63 HA ALA 23 HA ALA 23 -10.221 1.200 0.079 64 HB1 ALA 23 HB1 ALA 23 -12.150 0.575 -1.269 65 HB2 ALA 23 HB2 ALA 23 -11.589 1.619 -2.573 66 HB3 ALA 23 HB3 ALA 23 -12.081 2.321 -1.032 67 H GLY 24 HN GLY 24 -9.754 -0.902 0.055 68 HA2 GLY 24 HA2 GLY 24 -7.919 -1.880 -1.947 69 HA3 GLY 24 HA1 GLY 24 -8.495 -2.756 -0.531 70 H GLN 25 HN GLN 25 -8.403 -4.354 -2.542 71 HA GLN 25 HA GLN 25 -10.776 -4.206 -4.188 72 HB2 GLN 25 HB2 GLN 25 -8.811 -6.493 -3.995 73 HB3 GLN 25 HB1 GLN 25 -9.962 -6.186 -5.288 74 HG2 GLN 25 HG2 GLN 25 -7.474 -4.647 -4.627 75 HG3 GLN 25 HG1 GLN 25 -7.843 -5.549 -6.096 76 HE21 GLN 25 HE21 GLN 25 -7.074 -2.731 -5.638 77 HE22 GLN 25 HE22 GLN 25 -8.305 -1.775 -6.404 78 H ASP 26 HN ASP 26 -10.259 -5.065 -1.090 79 HA ASP 26 HA ASP 26 -12.177 -7.283 -1.093 80 HB2 ASP 26 HB2 ASP 26 -11.422 -7.824 1.096 81 HB3 ASP 26 HB1 ASP 26 -9.969 -7.450 0.175 82 H GLY 27 HN GLY 27 -11.921 -3.943 -0.515 83 HA2 GLY 27 HA2 GLY 27 -14.029 -2.734 -0.348 84 HA3 GLY 27 HA1 GLY 27 -14.575 -3.977 0.765 85 H SER 28 HN SER 28 -11.366 -3.246 1.424 86 HA SER 28 HA SER 28 -12.067 -1.972 3.878 87 HB2 SER 28 HB2 SER 28 -9.501 -1.689 4.026 88 HB3 SER 28 HB1 SER 28 -10.152 -3.325 4.024 89 HG SER 28 HG SER 28 -9.455 -3.629 1.985 90 H VAL 29 HN VAL 29 -12.626 0.094 4.062 91 HA VAL 29 HA VAL 29 -11.462 2.027 2.187 92 HB VAL 29 HB VAL 29 -13.867 2.099 2.189 93 HG11 VAL 29 HG11 VAL 29 -13.722 2.542 5.165 94 HG12 VAL 29 HG12 VAL 29 -14.321 1.095 4.353 95 HG13 VAL 29 HG13 VAL 29 -15.185 2.624 4.183 96 HG21 VAL 29 HG21 VAL 29 -14.273 4.433 2.804 97 HG22 VAL 29 HG22 VAL 29 -12.736 4.238 1.963 98 HG23 VAL 29 HG23 VAL 29 -12.763 4.452 3.714 99 H VAL 30 HN VAL 30 -9.913 3.337 2.862 100 HA VAL 30 HA VAL 30 -9.474 3.601 5.768 101 HB VAL 30 HB VAL 30 -7.141 4.477 4.807 102 HG11 VAL 30 HG11 VAL 30 -6.214 2.293 5.238 103 HG12 VAL 30 HG12 VAL 30 -7.807 1.553 5.060 104 HG13 VAL 30 HG13 VAL 30 -7.484 2.650 6.408 105 HG21 VAL 30 HG21 VAL 30 -6.409 3.418 2.851 106 HG22 VAL 30 HG22 VAL 30 -8.004 4.055 2.454 107 HG23 VAL 30 HG23 VAL 30 -7.805 2.341 2.808 108 H GLN 31 HN GLN 31 -9.681 5.538 6.671 109 HA GLN 31 HA GLN 31 -10.163 7.849 4.970 110 HB2 GLN 31 HB2 GLN 31 -11.486 7.271 7.118 111 HB3 GLN 31 HB1 GLN 31 -10.088 7.897 7.982 112 HG2 GLN 31 HG2 GLN 31 -10.378 9.995 6.540 113 HG3 GLN 31 HG1 GLN 31 -11.975 9.352 6.168 114 HE21 GLN 31 HE21 GLN 31 -11.284 11.791 7.548 115 HE22 GLN 31 HE22 GLN 31 -12.007 11.686 9.118 116 H PHE 32 HN PHE 32 -8.244 8.443 4.106 117 HA PHE 32 HA PHE 32 -5.850 8.558 5.707 118 HB2 PHE 32 HB2 PHE 32 -6.526 8.674 2.874 119 HB3 PHE 32 HB1 PHE 32 -5.295 9.850 3.322 120 HD1 PHE 32 HD1 PHE 32 -6.037 6.380 2.726 121 HD2 PHE 32 HD2 PHE 32 -3.196 9.070 4.394 122 HE1 PHE 32 HE1 PHE 32 -4.326 4.616 2.647 123 HE2 PHE 32 HE2 PHE 32 -1.480 7.310 4.318 124 HZ PHE 32 HZ PHE 32 -2.045 5.083 3.444 125 H LYS 33 HN LYS 33 -5.827 10.146 7.191 126 HA LYS 33 HA LYS 33 -6.706 12.829 6.457 127 HB2 LYS 33 HB2 LYS 33 -7.264 11.904 8.708 128 HB3 LYS 33 HB1 LYS 33 -5.546 11.833 9.075 129 HG2 LYS 33 HG2 LYS 33 -5.401 14.044 9.465 130 HG3 LYS 33 HG1 LYS 33 -6.550 14.453 8.188 131 HD2 LYS 33 HD2 LYS 33 -8.408 13.891 9.584 132 HD3 LYS 33 HD1 LYS 33 -7.347 13.210 10.815 133 HE2 LYS 33 HE2 LYS 33 -6.421 15.399 11.275 134 HE3 LYS 33 HE1 LYS 33 -7.380 16.105 9.975 135 HZ1 LYS 33 HZ1 LYS 33 -8.256 16.362 12.318 136 HZ2 LYS 33 HZ2 LYS 33 -8.633 14.714 12.264 137 HZ3 LYS 33 HZ3 LYS 33 -9.348 15.780 11.165 138 H ILE 34 HN ILE 34 -5.231 13.496 4.981 139 HA ILE 34 HA ILE 34 -2.463 13.818 5.926 140 HB ILE 34 HB ILE 34 -2.246 12.083 4.378 141 HG12 ILE 34 HG12 ILE 34 -1.930 14.536 2.637 142 HG13 ILE 34 HG11 ILE 34 -0.738 13.959 3.797 143 HG21 ILE 34 HG21 ILE 34 -3.422 11.919 2.258 144 HG22 ILE 34 HG22 ILE 34 -4.208 13.469 2.561 145 HG23 ILE 34 HG23 ILE 34 -4.553 12.087 3.601 146 HD11 ILE 34 HD11 ILE 34 -0.289 13.355 1.422 147 HD12 ILE 34 HD12 ILE 34 -1.719 12.324 1.472 148 HD13 ILE 34 HD13 ILE 34 -0.348 11.989 2.533 149 H LYS 35 HN LYS 35 -1.312 15.656 4.863 150 HA LYS 35 HA LYS 35 -3.107 17.905 4.521 151 HB2 LYS 35 HB2 LYS 35 -0.742 17.774 5.756 152 HB3 LYS 35 HB1 LYS 35 -0.161 18.195 4.151 153 HG2 LYS 35 HG2 LYS 35 -1.551 20.190 4.155 154 HG3 LYS 35 HG1 LYS 35 -2.179 19.763 5.746 155 HD2 LYS 35 HD2 LYS 35 0.768 20.056 5.312 156 HD3 LYS 35 HD1 LYS 35 -0.238 21.482 5.546 157 HE2 LYS 35 HE2 LYS 35 -0.962 20.674 7.698 158 HE3 LYS 35 HE1 LYS 35 -0.127 19.141 7.441 159 HZ1 LYS 35 HZ1 LYS 35 1.981 20.328 7.420 160 HZ2 LYS 35 HZ2 LYS 35 1.147 20.606 8.872 161 HZ3 LYS 35 HZ3 LYS 35 1.176 21.800 7.673 162 H ARG 36 HN ARG 36 -2.773 19.405 2.655 163 HA ARG 36 HA ARG 36 -2.992 17.888 0.245 164 HB2 ARG 36 HB2 ARG 36 -3.112 20.851 0.771 165 HB3 ARG 36 HB1 ARG 36 -3.381 20.128 -0.811 166 HG2 ARG 36 HG2 ARG 36 -5.244 18.827 0.113 167 HG3 ARG 36 HG1 ARG 36 -4.992 19.596 1.681 168 HD2 ARG 36 HD2 ARG 36 -6.801 20.688 0.521 169 HD3 ARG 36 HD1 ARG 36 -5.427 21.782 0.637 170 HE ARG 36 HE ARG 36 -4.986 21.402 -1.679 171 HH11 ARG 36 HH11 ARG 36 -8.045 20.089 -0.513 172 HH12 ARG 36 HH12 ARG 36 -8.793 20.088 -2.161 173 HH21 ARG 36 HH21 ARG 36 -5.886 21.382 -3.762 174 HH22 ARG 36 HH22 ARG 36 -7.602 20.843 -3.966 175 H HIS 37 HN HIS 37 -0.220 18.807 1.754 176 HA HIS 37 HA HIS 37 1.148 19.068 -0.842 177 HB2 HIS 37 HB2 HIS 37 2.622 20.688 -0.058 178 HB3 HIS 37 HB1 HIS 37 1.103 21.162 0.687 179 HD2 HIS 37 HD2 HIS 37 0.960 19.948 3.439 180 HE1 HIS 37 HE1 HIS 37 5.116 20.584 3.890 181 HE2 HIS 37 HE2 HIS 37 2.998 19.842 5.050 182 H THR 38 HN THR 38 0.681 17.065 1.711 183 HA THR 38 HA THR 38 3.362 16.172 2.166 184 HB THR 38 HB THR 38 0.885 14.567 2.767 185 HG1 THR 38 HG1 THR 38 1.999 16.618 4.428 186 HG21 THR 38 HG21 THR 38 3.089 13.522 3.155 187 HG22 THR 38 HG22 THR 38 2.206 13.777 4.659 188 HG23 THR 38 HG23 THR 38 3.524 14.861 4.215 189 HA PRO 39 HA PRO 39 3.946 13.845 -1.595 190 HB2 PRO 39 HB2 PRO 39 5.624 12.211 0.250 191 HB3 PRO 39 HB1 PRO 39 6.027 12.890 -1.333 192 HG2 PRO 39 HG2 PRO 39 6.960 14.023 0.871 193 HG3 PRO 39 HG1 PRO 39 6.409 15.010 -0.497 194 HD2 PRO 39 HD2 PRO 39 5.075 14.497 2.113 195 HD3 PRO 39 HD1 PRO 39 5.055 15.951 1.094 196 H LEU 40 HN LEU 40 2.854 12.232 -2.480 197 HA LEU 40 HA LEU 40 1.102 10.599 -0.950 198 HB2 LEU 40 HB2 LEU 40 1.912 10.509 -3.854 199 HB3 LEU 40 HB1 LEU 40 0.678 9.477 -3.157 200 HG LEU 40 HG LEU 40 0.512 12.483 -3.073 201 HD11 LEU 40 HD11 LEU 40 -1.081 12.264 -4.953 202 HD12 LEU 40 HD12 LEU 40 -0.593 10.577 -5.126 203 HD13 LEU 40 HD13 LEU 40 0.578 11.866 -5.391 204 HD21 LEU 40 HD21 LEU 40 -1.519 10.288 -2.684 205 HD22 LEU 40 HD22 LEU 40 -1.882 12.014 -2.712 206 HD23 LEU 40 HD23 LEU 40 -0.860 11.347 -1.438 207 H SER 41 HN SER 41 4.365 10.316 -1.768 208 HA SER 41 HA SER 41 4.700 7.547 -2.000 209 HB2 SER 41 HB2 SER 41 6.920 8.730 -0.632 210 HB3 SER 41 HB1 SER 41 6.808 8.250 -2.326 211 HG SER 41 HG SER 41 6.990 10.334 -2.637 212 H LYS 42 HN LYS 42 4.472 9.694 0.778 213 HA LYS 42 HA LYS 42 5.105 7.713 2.735 214 HB2 LYS 42 HB2 LYS 42 5.194 10.298 2.941 215 HB3 LYS 42 HB1 LYS 42 3.470 10.182 3.270 216 HG2 LYS 42 HG2 LYS 42 3.978 8.657 5.152 217 HG3 LYS 42 HG1 LYS 42 5.698 8.922 4.854 218 HD2 LYS 42 HD2 LYS 42 4.649 11.480 4.984 219 HD3 LYS 42 HD1 LYS 42 3.762 10.599 6.230 220 HE2 LYS 42 HE2 LYS 42 6.091 9.722 6.935 221 HE3 LYS 42 HE1 LYS 42 6.710 11.079 5.996 222 HZ1 LYS 42 HZ1 LYS 42 6.515 11.981 8.078 223 HZ2 LYS 42 HZ2 LYS 42 5.126 11.096 8.477 224 HZ3 LYS 42 HZ3 LYS 42 5.018 12.415 7.416 225 H LEU 43 HN LEU 43 2.232 8.864 1.147 226 HA LEU 43 HA LEU 43 0.269 7.724 2.801 227 HB2 LEU 43 HB2 LEU 43 -0.151 9.420 1.035 228 HB3 LEU 43 HB1 LEU 43 0.190 8.212 -0.183 229 HG LEU 43 HG LEU 43 -1.950 7.488 1.709 230 HD11 LEU 43 HD11 LEU 43 -2.381 9.881 1.463 231 HD12 LEU 43 HD12 LEU 43 -3.605 8.921 0.631 232 HD13 LEU 43 HD13 LEU 43 -2.327 9.711 -0.293 233 HD21 LEU 43 HD21 LEU 43 -1.745 7.479 -1.301 234 HD22 LEU 43 HD22 LEU 43 -3.011 6.716 -0.339 235 HD23 LEU 43 HD23 LEU 43 -1.352 6.127 -0.241 236 H MET 44 HN MET 44 2.021 6.494 -0.011 237 HA MET 44 HA MET 44 0.693 4.023 -0.227 238 HB2 MET 44 HB2 MET 44 3.544 4.721 -0.973 239 HB3 MET 44 HB1 MET 44 2.679 3.285 -1.504 240 HG2 MET 44 HG2 MET 44 0.968 4.930 -2.482 241 HG3 MET 44 HG1 MET 44 2.235 6.139 -2.278 242 HE1 MET 44 HE1 MET 44 4.568 6.085 -3.561 243 HE2 MET 44 HE2 MET 44 5.085 4.737 -4.570 244 HE3 MET 44 HE3 MET 44 4.874 4.511 -2.833 245 H LYS 45 HN LYS 45 3.689 4.923 1.448 246 HA LYS 45 HA LYS 45 4.317 2.384 2.459 247 HB2 LYS 45 HB2 LYS 45 4.958 5.113 3.584 248 HB3 LYS 45 HB1 LYS 45 5.696 3.611 4.121 249 HG2 LYS 45 HG2 LYS 45 6.547 3.280 1.799 250 HG3 LYS 45 HG1 LYS 45 5.940 4.889 1.407 251 HD2 LYS 45 HD2 LYS 45 7.953 4.270 3.567 252 HD3 LYS 45 HD1 LYS 45 8.348 4.890 1.963 253 HE2 LYS 45 HE2 LYS 45 7.133 6.924 2.402 254 HE3 LYS 45 HE1 LYS 45 6.554 6.290 3.941 255 HZ1 LYS 45 HZ1 LYS 45 8.876 6.205 4.691 256 HZ2 LYS 45 HZ2 LYS 45 8.374 7.773 4.320 257 HZ3 LYS 45 HZ3 LYS 45 9.364 6.932 3.242 258 H ALA 46 HN ALA 46 2.357 5.003 3.804 259 HA ALA 46 HA ALA 46 1.946 3.958 6.360 260 HB1 ALA 46 HB1 ALA 46 1.370 6.255 5.670 261 HB2 ALA 46 HB2 ALA 46 0.049 5.442 6.508 262 HB3 ALA 46 HB3 ALA 46 0.008 5.615 4.754 263 H TYR 47 HN TYR 47 -0.065 3.583 3.435 264 HA TYR 47 HA TYR 47 -1.931 1.850 4.701 265 HB2 TYR 47 HB2 TYR 47 -2.487 3.144 2.677 266 HB3 TYR 47 HB1 TYR 47 -1.339 2.184 1.753 267 HD1 TYR 47 HD1 TYR 47 -2.207 0.462 0.488 268 HD2 TYR 47 HD2 TYR 47 -4.270 1.639 4.016 269 HE1 TYR 47 HE1 TYR 47 -3.967 -1.182 0.000 270 HE2 TYR 47 HE2 TYR 47 -6.038 -0.002 3.536 271 HH TYR 47 HH TYR 47 -6.928 -1.316 1.839 272 H CYS 48 HN CYS 48 1.010 1.356 2.864 273 HA CYS 48 HA CYS 48 0.788 -1.407 2.459 274 HB2 CYS 48 HB2 CYS 48 2.484 0.364 1.528 275 HB3 CYS 48 HB1 CYS 48 3.449 -0.121 2.919 276 HG CYS 48 HG CYS 48 3.984 -2.606 2.161 277 H GLU 49 HN GLU 49 2.360 0.418 5.085 278 HA GLU 49 HA GLU 49 3.174 -1.926 6.490 279 HB2 GLU 49 HB2 GLU 49 2.924 0.959 7.349 280 HB3 GLU 49 HB1 GLU 49 3.548 -0.309 8.397 281 HG2 GLU 49 HG2 GLU 49 4.726 0.628 5.790 282 HG3 GLU 49 HG1 GLU 49 5.382 0.883 7.406 283 H ARG 50 HN ARG 50 0.271 -0.059 6.351 284 HA ARG 50 HA ARG 50 -0.927 -0.850 8.783 285 HB2 ARG 50 HB2 ARG 50 -1.681 0.989 7.184 286 HB3 ARG 50 HB1 ARG 50 -2.380 -0.282 6.196 287 HG2 ARG 50 HG2 ARG 50 -4.236 -0.031 7.384 288 HG3 ARG 50 HG1 ARG 50 -3.387 -0.766 8.742 289 HD2 ARG 50 HD2 ARG 50 -2.895 2.105 8.307 290 HD3 ARG 50 HD1 ARG 50 -4.516 1.666 8.832 291 HE ARG 50 HE ARG 50 -2.036 1.079 10.305 292 HH11 ARG 50 HH11 ARG 50 -5.539 1.473 10.148 293 HH12 ARG 50 HH12 ARG 50 -5.710 1.505 11.950 294 HH21 ARG 50 HH21 ARG 50 -3.869 1.255 13.305 295 HH22 ARG 50 HH22 ARG 50 -2.228 1.078 12.578 296 H GLN 51 HN GLN 51 -0.877 -2.232 5.551 297 HA GLN 51 HA GLN 51 -2.525 -4.483 6.294 298 HB2 GLN 51 HB2 GLN 51 -0.940 -3.913 3.781 299 HB3 GLN 51 HB1 GLN 51 -2.046 -5.267 3.988 300 HG2 GLN 51 HG2 GLN 51 -2.776 -2.346 4.049 301 HG3 GLN 51 HG1 GLN 51 -3.100 -3.477 2.738 302 HE21 GLN 51 HE21 GLN 51 -4.726 -5.010 2.979 303 HE22 GLN 51 HE22 GLN 51 -5.913 -4.902 4.231 304 H GLY 52 HN GLY 52 0.868 -3.752 5.833 305 HA2 GLY 52 HA2 GLY 52 2.611 -4.869 6.960 306 HA3 GLY 52 HA1 GLY 52 1.550 -6.253 7.181 307 H LEU 53 HN LEU 53 2.479 -4.442 4.266 308 HA LEU 53 HA LEU 53 3.743 -6.886 3.225 309 HB2 LEU 53 HB2 LEU 53 1.778 -5.149 1.726 310 HB3 LEU 53 HB1 LEU 53 2.704 -6.454 1.018 311 HG LEU 53 HG LEU 53 0.670 -6.818 3.215 312 HD11 LEU 53 HD11 LEU 53 -0.763 -7.766 1.476 313 HD12 LEU 53 HD12 LEU 53 0.432 -7.330 0.255 314 HD13 LEU 53 HD13 LEU 53 -0.402 -6.068 1.161 315 HD21 LEU 53 HD21 LEU 53 2.391 -8.532 3.207 316 HD22 LEU 53 HD22 LEU 53 2.135 -8.807 1.483 317 HD23 LEU 53 HD23 LEU 53 0.859 -9.192 2.640 318 H SER 54 HN SER 54 4.936 -6.328 1.096 319 HA SER 54 HA SER 54 6.661 -4.087 1.657 320 HB2 SER 54 HB2 SER 54 7.677 -6.152 0.864 321 HB3 SER 54 HB1 SER 54 6.674 -6.125 -0.585 322 HG SER 54 HG SER 54 8.916 -5.297 -0.754 323 H MET 55 HN MET 55 6.783 -2.187 0.556 324 HA MET 55 HA MET 55 4.525 -1.203 -0.770 325 HB2 MET 55 HB2 MET 55 6.338 0.123 0.414 326 HB3 MET 55 HB1 MET 55 7.305 -0.068 -1.040 327 HG2 MET 55 HG2 MET 55 5.479 1.039 -2.323 328 HG3 MET 55 HG1 MET 55 4.662 1.351 -0.793 329 HE1 MET 55 HE1 MET 55 7.517 2.319 -3.219 330 HE2 MET 55 HE2 MET 55 8.460 1.547 -1.946 331 HE3 MET 55 HE3 MET 55 8.599 3.283 -2.214 332 H ARG 56 HN ARG 56 7.172 -3.028 -1.962 333 HA ARG 56 HA ARG 56 6.771 -2.175 -4.709 334 HB2 ARG 56 HB2 ARG 56 8.931 -3.219 -3.287 335 HB3 ARG 56 HB1 ARG 56 8.459 -4.503 -4.390 336 HG2 ARG 56 HG2 ARG 56 8.572 -2.875 -6.254 337 HG3 ARG 56 HG1 ARG 56 9.193 -1.678 -5.116 338 HD2 ARG 56 HD2 ARG 56 11.094 -3.121 -4.625 339 HD3 ARG 56 HD1 ARG 56 10.469 -4.335 -5.739 340 HE ARG 56 HE ARG 56 10.858 -1.759 -6.948 341 HH11 ARG 56 HH11 ARG 56 13.669 -4.660 -7.312 342 HH12 ARG 56 HH12 ARG 56 12.375 -4.810 -6.064 343 HH21 ARG 56 HH21 ARG 56 13.723 -2.819 -8.695 344 HH22 ARG 56 HH22 ARG 56 12.480 -1.525 -8.532 345 H GLN 57 HN GLN 57 5.216 -4.275 -2.682 346 HA GLN 57 HA GLN 57 4.762 -6.343 -4.688 347 HB2 GLN 57 HB2 GLN 57 5.064 -6.815 -2.199 348 HB3 GLN 57 HB1 GLN 57 3.452 -6.146 -1.982 349 HG2 GLN 57 HG2 GLN 57 2.857 -7.899 -3.864 350 HG3 GLN 57 HG1 GLN 57 4.301 -8.698 -3.244 351 HE21 GLN 57 HE21 GLN 57 1.486 -9.489 -3.148 352 HE22 GLN 57 HE22 GLN 57 1.121 -9.727 -1.476 353 H ILE 58 HN ILE 58 3.358 -3.423 -3.630 354 HA ILE 58 HA ILE 58 0.891 -4.090 -5.092 355 HB ILE 58 HB ILE 58 -0.196 -2.277 -3.669 356 HG12 ILE 58 HG12 ILE 58 2.209 -2.842 -1.913 357 HG13 ILE 58 HG11 ILE 58 1.902 -1.332 -2.762 358 HG21 ILE 58 HG21 ILE 58 -0.753 -4.605 -3.394 359 HG22 ILE 58 HG22 ILE 58 -0.630 -3.849 -1.806 360 HG23 ILE 58 HG23 ILE 58 0.679 -4.870 -2.403 361 HD11 ILE 58 HD11 ILE 58 0.249 -2.513 -0.546 362 HD12 ILE 58 HD12 ILE 58 -0.156 -1.045 -1.434 363 HD13 ILE 58 HD13 ILE 58 1.306 -1.106 -0.447 364 H ARG 59 HN ARG 59 -0.219 -2.149 -5.991 365 HA ARG 59 HA ARG 59 1.653 -0.014 -6.754 366 HB2 ARG 59 HB2 ARG 59 -0.126 -1.579 -8.639 367 HB3 ARG 59 HB1 ARG 59 0.703 -0.092 -9.070 368 HG2 ARG 59 HG2 ARG 59 2.054 -2.641 -8.214 369 HG3 ARG 59 HG1 ARG 59 1.860 -2.098 -9.880 370 HD2 ARG 59 HD2 ARG 59 3.156 -0.070 -9.340 371 HD3 ARG 59 HD1 ARG 59 3.392 -0.677 -7.701 372 HE ARG 59 HE ARG 59 4.708 -1.582 -10.117 373 HH11 ARG 59 HH11 ARG 59 5.295 -3.411 -6.549 374 HH12 ARG 59 HH12 ARG 59 3.978 -2.185 -6.730 375 HH21 ARG 59 HH21 ARG 59 6.402 -3.118 -9.917 376 HH22 ARG 59 HH22 ARG 59 6.661 -3.906 -8.319 377 H PHE 60 HN PHE 60 0.790 1.960 -6.557 378 HA PHE 60 HA PHE 60 -2.052 2.154 -5.913 379 HB2 PHE 60 HB2 PHE 60 0.313 3.960 -5.501 380 HB3 PHE 60 HB1 PHE 60 -1.324 4.599 -5.402 381 HD1 PHE 60 HD1 PHE 60 0.655 1.713 -4.095 382 HD2 PHE 60 HD2 PHE 60 -2.300 4.680 -3.326 383 HE1 PHE 60 HE1 PHE 60 0.513 0.964 -1.758 384 HE2 PHE 60 HE2 PHE 60 -2.443 3.933 -0.987 385 HZ PHE 60 HZ PHE 60 -1.034 2.074 -0.204 386 H ARG 61 HN ARG 61 -3.516 3.183 -7.163 387 HA ARG 61 HA ARG 61 -2.520 4.499 -9.605 388 HB2 ARG 61 HB2 ARG 61 -3.510 2.078 -9.778 389 HB3 ARG 61 HB1 ARG 61 -5.053 2.902 -9.621 390 HG2 ARG 61 HG2 ARG 61 -4.874 3.922 -11.668 391 HG3 ARG 61 HG1 ARG 61 -3.110 3.851 -11.669 392 HD2 ARG 61 HD2 ARG 61 -3.110 1.534 -12.156 393 HD3 ARG 61 HD1 ARG 61 -4.835 1.395 -11.825 394 HE ARG 61 HE ARG 61 -4.027 3.121 -14.038 395 HH11 ARG 61 HH11 ARG 61 -5.999 -0.382 -14.551 396 HH12 ARG 61 HH12 ARG 61 -5.302 0.027 -12.939 397 HH21 ARG 61 HH21 ARG 61 -4.880 2.628 -16.096 398 HH22 ARG 61 HH22 ARG 61 -5.752 1.061 -16.317 399 H PHE 62 HN PHE 62 -3.304 6.477 -9.912 400 HA PHE 62 HA PHE 62 -5.764 7.236 -8.476 401 HB2 PHE 62 HB2 PHE 62 -4.007 8.500 -7.489 402 HB3 PHE 62 HB1 PHE 62 -3.265 8.831 -9.053 403 HD1 PHE 62 HD1 PHE 62 -6.429 9.444 -7.175 404 HD2 PHE 62 HD2 PHE 62 -3.639 10.867 -10.060 405 HE1 PHE 62 HE1 PHE 62 -7.659 11.569 -7.314 406 HE2 PHE 62 HE2 PHE 62 -4.865 12.994 -10.201 407 HZ PHE 62 HZ PHE 62 -6.878 13.344 -8.828 408 H ASP 63 HN ASP 63 -7.410 7.686 -9.724 409 HA ASP 63 HA ASP 63 -8.713 8.385 -11.436 410 HB2 ASP 63 HB2 ASP 63 -7.441 10.456 -11.422 411 HB3 ASP 63 HB1 ASP 63 -6.191 9.727 -12.425 412 H GLY 64 HN GLY 64 -5.549 7.552 -12.837 413 HA2 GLY 64 HA2 GLY 64 -6.591 5.228 -14.140 414 HA3 GLY 64 HA1 GLY 64 -6.360 6.557 -15.267 415 H GLN 65 HN GLN 65 -4.059 7.479 -13.492 416 HA GLN 65 HA GLN 65 -2.077 5.632 -14.630 417 HB2 GLN 65 HB2 GLN 65 -1.850 8.557 -13.909 418 HB3 GLN 65 HB1 GLN 65 -0.508 7.569 -14.461 419 HG2 GLN 65 HG2 GLN 65 -3.005 8.081 -16.055 420 HG3 GLN 65 HG1 GLN 65 -1.510 8.995 -16.219 421 HE21 GLN 65 HE21 GLN 65 -1.017 8.435 -18.266 422 HE22 GLN 65 HE22 GLN 65 -0.635 6.824 -18.768 423 HA PRO 66 HA PRO 66 -0.645 4.561 -10.588 424 HB2 PRO 66 HB2 PRO 66 1.995 4.140 -11.056 425 HB3 PRO 66 HB1 PRO 66 0.737 3.023 -11.608 426 HG2 PRO 66 HG2 PRO 66 2.180 5.135 -13.150 427 HG3 PRO 66 HG1 PRO 66 1.752 3.481 -13.636 428 HD2 PRO 66 HD2 PRO 66 0.319 5.631 -14.424 429 HD3 PRO 66 HD1 PRO 66 -0.415 4.042 -14.142 430 H ILE 67 HN ILE 67 0.329 5.438 -8.787 431 HA ILE 67 HA ILE 67 1.076 8.230 -8.985 432 HB ILE 67 HB ILE 67 0.925 6.456 -6.539 433 HG12 ILE 67 HG12 ILE 67 -1.109 8.386 -7.680 434 HG13 ILE 67 HG11 ILE 67 -1.240 6.631 -7.703 435 HG21 ILE 67 HG21 ILE 67 0.994 9.461 -6.777 436 HG22 ILE 67 HG22 ILE 67 2.321 8.439 -6.224 437 HG23 ILE 67 HG23 ILE 67 0.835 8.542 -5.280 438 HD11 ILE 67 HD11 ILE 67 -2.617 7.516 -5.954 439 HD12 ILE 67 HD12 ILE 67 -1.257 8.413 -5.280 440 HD13 ILE 67 HD13 ILE 67 -1.263 6.651 -5.233 441 H ASN 68 HN ASN 68 3.089 9.097 -8.609 442 HA ASN 68 HA ASN 68 5.313 7.192 -8.640 443 HB2 ASN 68 HB2 ASN 68 5.338 10.192 -9.049 444 HB3 ASN 68 HB1 ASN 68 6.700 9.103 -9.291 445 HD21 ASN 68 HD21 ASN 68 3.702 10.282 -10.554 446 HD22 ASN 68 HD22 ASN 68 3.853 9.560 -12.130 447 H GLU 69 HN GLU 69 7.234 7.700 -7.327 448 HA GLU 69 HA GLU 69 6.504 8.034 -4.590 449 HB2 GLU 69 HB2 GLU 69 9.217 7.797 -5.899 450 HB3 GLU 69 HB1 GLU 69 8.941 7.763 -4.165 451 HG2 GLU 69 HG2 GLU 69 7.635 5.739 -4.382 452 HG3 GLU 69 HG1 GLU 69 7.812 5.792 -6.137 453 H THR 70 HN THR 70 7.009 10.297 -6.938 454 HA THR 70 HA THR 70 7.889 12.287 -4.955 455 HB THR 70 HB THR 70 8.340 13.161 -7.671 456 HG1 THR 70 HG1 THR 70 9.538 11.557 -8.445 457 HG21 THR 70 HG21 THR 70 9.397 14.129 -5.685 458 HG22 THR 70 HG22 THR 70 10.613 13.531 -6.812 459 HG23 THR 70 HG23 THR 70 10.217 12.600 -5.369 460 H ASP 71 HN ASP 71 5.168 11.368 -5.726 461 HA ASP 71 HA ASP 71 4.119 13.795 -6.997 462 HB2 ASP 71 HB2 ASP 71 3.051 11.019 -6.674 463 HB3 ASP 71 HB1 ASP 71 1.930 12.357 -6.894 464 H THR 72 HN THR 72 2.433 14.957 -6.092 465 HA THR 72 HA THR 72 1.815 14.439 -3.269 466 HB THR 72 HB THR 72 1.772 16.997 -3.007 467 HG1 THR 72 HG1 THR 72 3.733 17.131 -4.990 468 HG21 THR 72 HG21 THR 72 4.344 15.462 -3.324 469 HG22 THR 72 HG22 THR 72 3.454 15.810 -1.840 470 HG23 THR 72 HG23 THR 72 4.286 17.109 -2.695 471 HA PRO 73 HA PRO 73 -2.441 15.017 -4.308 472 HB2 PRO 73 HB2 PRO 73 -2.611 17.166 -2.254 473 HB3 PRO 73 HB1 PRO 73 -3.581 15.696 -2.428 474 HG2 PRO 73 HG2 PRO 73 -1.737 15.848 -0.537 475 HG3 PRO 73 HG1 PRO 73 -1.976 14.344 -1.451 476 HD2 PRO 73 HD2 PRO 73 0.175 16.395 -1.723 477 HD3 PRO 73 HD1 PRO 73 0.277 14.627 -1.849 478 H ALA 74 HN ALA 74 -0.744 18.091 -3.705 479 HA ALA 74 HA ALA 74 -2.503 19.618 -5.357 480 HB1 ALA 74 HB1 ALA 74 -0.931 21.439 -5.006 481 HB2 ALA 74 HB2 ALA 74 0.247 20.311 -4.335 482 HB3 ALA 74 HB3 ALA 74 -1.271 20.609 -3.487 483 H GLN 75 HN GLN 75 0.389 17.780 -5.921 484 HA GLN 75 HA GLN 75 1.115 19.020 -8.388 485 HB2 GLN 75 HB2 GLN 75 2.830 17.904 -7.183 486 HB3 GLN 75 HB1 GLN 75 1.884 16.433 -7.053 487 HG2 GLN 75 HG2 GLN 75 3.657 16.115 -8.636 488 HG3 GLN 75 HG1 GLN 75 2.107 16.095 -9.475 489 HE21 GLN 75 HE21 GLN 75 3.066 16.588 -11.429 490 HE22 GLN 75 HE22 GLN 75 3.661 18.172 -11.792 491 H LEU 76 HN LEU 76 -0.680 16.088 -7.520 492 HA LEU 76 HA LEU 76 -1.203 15.512 -10.321 493 HB2 LEU 76 HB2 LEU 76 -1.953 14.112 -7.762 494 HB3 LEU 76 HB1 LEU 76 -2.544 13.596 -9.329 495 HG LEU 76 HG LEU 76 0.333 13.645 -8.423 496 HD11 LEU 76 HD11 LEU 76 -1.498 11.365 -9.144 497 HD12 LEU 76 HD12 LEU 76 -1.011 11.818 -7.511 498 HD13 LEU 76 HD13 LEU 76 0.192 11.233 -8.662 499 HD21 LEU 76 HD21 LEU 76 0.359 14.216 -10.724 500 HD22 LEU 76 HD22 LEU 76 -0.890 13.030 -11.103 501 HD23 LEU 76 HD23 LEU 76 0.722 12.493 -10.630 502 H GLU 77 HN GLU 77 -2.390 17.734 -8.391 503 HA GLU 77 HA GLU 77 -4.301 18.926 -8.192 504 HB2 GLU 77 HB2 GLU 77 -4.686 17.685 -10.908 505 HB3 GLU 77 HB1 GLU 77 -5.850 18.814 -10.228 506 HG2 GLU 77 HG2 GLU 77 -2.934 19.413 -10.663 507 HG3 GLU 77 HG1 GLU 77 -4.232 19.869 -11.764 508 H MET 78 HN MET 78 -4.456 16.925 -6.562 509 HA MET 78 HA MET 78 -6.933 15.443 -7.035 510 HB2 MET 78 HB2 MET 78 -5.062 15.254 -4.667 511 HB3 MET 78 HB1 MET 78 -6.329 14.118 -5.113 512 HG2 MET 78 HG2 MET 78 -5.110 13.356 -6.989 513 HG3 MET 78 HG1 MET 78 -3.960 14.687 -6.869 514 HE1 MET 78 HE1 MET 78 -5.156 11.273 -5.449 515 HE2 MET 78 HE2 MET 78 -5.435 12.318 -4.055 516 HE3 MET 78 HE3 MET 78 -4.172 11.089 -3.997 517 H GLU 79 HN GLU 79 -8.740 15.670 -5.720 518 HA GLU 79 HA GLU 79 -8.704 18.065 -4.014 519 HB2 GLU 79 HB2 GLU 79 -10.555 17.182 -6.080 520 HB3 GLU 79 HB1 GLU 79 -11.371 17.529 -4.562 521 HG2 GLU 79 HG2 GLU 79 -9.777 19.359 -6.308 522 HG3 GLU 79 HG1 GLU 79 -11.421 19.550 -5.699 523 H ASP 80 HN ASP 80 -10.603 17.989 -2.398 524 HA ASP 80 HA ASP 80 -10.047 15.893 -0.589 525 HB2 ASP 80 HB2 ASP 80 -11.001 18.334 -0.212 526 HB3 ASP 80 HB1 ASP 80 -12.551 17.504 -0.321 527 H GLU 81 HN GLU 81 -11.114 14.083 -0.060 528 HA GLU 81 HA GLU 81 -12.432 12.276 -0.221 529 HB2 GLU 81 HB2 GLU 81 -14.390 14.315 -1.257 530 HB3 GLU 81 HB1 GLU 81 -14.808 12.618 -1.051 531 HG2 GLU 81 HG2 GLU 81 -14.065 12.853 1.349 532 HG3 GLU 81 HG1 GLU 81 -14.000 14.588 1.063 533 H ASP 82 HN ASP 82 -10.539 12.652 -2.200 534 HA ASP 82 HA ASP 82 -11.765 11.882 -4.720 535 HB2 ASP 82 HB2 ASP 82 -9.515 13.284 -4.253 536 HB3 ASP 82 HB1 ASP 82 -8.820 11.668 -4.343 537 H THR 83 HN THR 83 -10.333 9.878 -5.763 538 HA THR 83 HA THR 83 -10.431 7.755 -3.713 539 HB THR 83 HB THR 83 -11.352 7.350 -6.557 540 HG1 THR 83 HG1 THR 83 -12.609 8.598 -4.495 541 HG21 THR 83 HG21 THR 83 -12.302 5.306 -5.719 542 HG22 THR 83 HG22 THR 83 -11.882 5.736 -4.062 543 HG23 THR 83 HG23 THR 83 -10.610 5.367 -5.225 544 H ILE 84 HN ILE 84 -8.778 6.409 -3.638 545 HA ILE 84 HA ILE 84 -6.872 6.352 -5.889 546 HB ILE 84 HB ILE 84 -6.189 6.011 -2.958 547 HG12 ILE 84 HG12 ILE 84 -5.590 8.356 -4.780 548 HG13 ILE 84 HG11 ILE 84 -6.846 8.342 -3.546 549 HG21 ILE 84 HG21 ILE 84 -4.709 4.760 -4.392 550 HG22 ILE 84 HG22 ILE 84 -3.859 6.169 -3.759 551 HG23 ILE 84 HG23 ILE 84 -4.455 6.172 -5.418 552 HD11 ILE 84 HD11 ILE 84 -3.881 8.134 -3.104 553 HD12 ILE 84 HD12 ILE 84 -5.098 7.984 -1.839 554 HD13 ILE 84 HD13 ILE 84 -4.923 9.501 -2.719 555 H ASP 85 HN ASP 85 -6.383 4.360 -6.666 556 HA ASP 85 HA ASP 85 -7.665 2.067 -5.345 557 HB2 ASP 85 HB2 ASP 85 -7.873 2.875 -7.930 558 HB3 ASP 85 HB1 ASP 85 -6.540 1.732 -8.060 559 H VAL 86 HN VAL 86 -6.545 0.092 -5.131 560 HA VAL 86 HA VAL 86 -3.609 0.260 -5.324 561 HB VAL 86 HB VAL 86 -5.076 -0.936 -2.960 562 HG11 VAL 86 HG11 VAL 86 -2.824 -1.079 -1.969 563 HG12 VAL 86 HG12 VAL 86 -2.139 -0.497 -3.486 564 HG13 VAL 86 HG13 VAL 86 -2.973 -2.051 -3.434 565 HG21 VAL 86 HG21 VAL 86 -4.231 0.940 -1.663 566 HG22 VAL 86 HG22 VAL 86 -5.248 1.515 -2.984 567 HG23 VAL 86 HG23 VAL 86 -3.492 1.628 -3.110 568 H PHE 87 HN PHE 87 -2.922 -1.317 -6.609 569 HA PHE 87 HA PHE 87 -4.465 -3.831 -6.697 570 HB2 PHE 87 HB2 PHE 87 -2.754 -2.528 -8.826 571 HB3 PHE 87 HB1 PHE 87 -3.463 -4.133 -8.972 572 HD1 PHE 87 HD1 PHE 87 -5.974 -4.346 -8.924 573 HD2 PHE 87 HD2 PHE 87 -3.984 -0.610 -9.352 574 HE1 PHE 87 HE1 PHE 87 -8.039 -3.353 -9.816 575 HE2 PHE 87 HE2 PHE 87 -6.046 0.393 -10.244 576 HZ PHE 87 HZ PHE 87 -8.078 -0.980 -10.475 577 H GLN 88 HN GLN 88 -3.209 -5.795 -7.111 578 HA GLN 88 HA GLN 88 -0.704 -5.758 -5.600 579 HB2 GLN 88 HB2 GLN 88 -2.696 -7.888 -6.309 580 HB3 GLN 88 HB1 GLN 88 -1.069 -8.332 -5.814 581 HG2 GLN 88 HG2 GLN 88 -1.358 -7.500 -3.662 582 HG3 GLN 88 HG1 GLN 88 -2.734 -6.503 -4.132 583 HE21 GLN 88 HE21 GLN 88 -3.916 -7.397 -2.404 584 HE22 GLN 88 HE22 GLN 88 -4.602 -8.978 -2.504 585 H GLN 89 HN GLN 89 1.234 -6.328 -6.458 586 HA GLN 89 HA GLN 89 1.516 -6.283 -9.304 587 HB2 GLN 89 HB2 GLN 89 3.188 -5.334 -7.707 588 HB3 GLN 89 HB1 GLN 89 3.585 -6.970 -7.202 589 HG2 GLN 89 HG2 GLN 89 5.216 -6.117 -8.777 590 HG3 GLN 89 HG1 GLN 89 4.345 -7.492 -9.453 591 HE21 GLN 89 HE21 GLN 89 4.788 -6.912 -11.563 592 HE22 GLN 89 HE22 GLN 89 4.043 -5.553 -12.329 593 H GLN 90 HN GLN 90 2.012 -7.923 -10.699 594 HA GLN 90 HA GLN 90 1.008 -10.475 -10.194 595 HB2 GLN 90 HB2 GLN 90 2.925 -9.486 -12.304 596 HB3 GLN 90 HB1 GLN 90 2.311 -11.132 -12.277 597 HG2 GLN 90 HG2 GLN 90 0.924 -10.035 -13.783 598 HG3 GLN 90 HG1 GLN 90 -0.015 -10.079 -12.292 599 HE21 GLN 90 HE21 GLN 90 -1.267 -8.325 -12.964 600 HE22 GLN 90 HE22 GLN 90 -0.652 -6.710 -12.971 601 H THR 91 HN THR 91 1.792 -12.215 -9.227 602 HA THR 91 HA THR 91 4.263 -12.184 -7.851 603 HB THR 91 HB THR 91 3.424 -14.843 -8.001 604 HG1 THR 91 HG1 THR 91 1.072 -14.348 -7.453 605 HG21 THR 91 HG21 THR 91 2.661 -12.700 -6.011 606 HG22 THR 91 HG22 THR 91 4.131 -13.674 -5.972 607 HG23 THR 91 HG23 THR 91 2.560 -14.438 -5.735 608 H GLY 92 HN GLY 92 3.140 -13.804 -10.780 609 HA2 GLY 92 HA2 GLY 92 5.661 -13.821 -12.019 610 HA3 GLY 92 HA1 GLY 92 5.386 -15.392 -11.275 611 H ASN 357 HT1 ASN 357 -18.600 -5.022 6.201 612 HA ASN 357 HA ASN 357 -17.910 -2.451 4.914 613 HB2 ASN 357 HB2 ASN 357 -20.194 -2.400 5.798 614 HB3 ASN 357 HB1 ASN 357 -19.626 -3.026 7.340 615 HD21 ASN 357 HD21 ASN 357 -19.719 -1.492 8.807 616 HD22 ASN 357 HD22 ASN 357 -19.243 0.158 8.587 617 H ASN 358 HN ASN 358 -15.732 -2.450 5.251 618 HA ASN 358 HA ASN 358 -14.875 -2.714 8.062 619 HB2 ASN 358 HB2 ASN 358 -13.932 -4.553 6.747 620 HB3 ASN 358 HB1 ASN 358 -13.280 -3.408 5.580 621 HD21 ASN 358 HD21 ASN 358 -11.408 -2.325 6.046 622 HD22 ASN 358 HD22 ASN 358 -10.428 -2.670 7.425 623 H ARG 359 HN ARG 359 -13.948 -0.959 8.913 624 HA ARG 359 HA ARG 359 -13.085 1.133 7.035 625 HB2 ARG 359 HB2 ARG 359 -13.726 2.764 8.875 626 HB3 ARG 359 HB1 ARG 359 -15.047 2.004 8.005 627 HG2 ARG 359 HG2 ARG 359 -15.425 0.473 9.840 628 HG3 ARG 359 HG1 ARG 359 -14.024 1.120 10.697 629 HD2 ARG 359 HD2 ARG 359 -15.074 3.188 11.071 630 HD3 ARG 359 HD1 ARG 359 -16.322 2.865 9.872 631 HE ARG 359 HE ARG 359 -16.978 1.008 11.537 632 HH11 ARG 359 HH11 ARG 359 -16.564 4.226 13.970 633 HH12 ARG 359 HH12 ARG 359 -15.708 4.185 12.382 634 HH21 ARG 359 HH21 ARG 359 -18.066 1.022 13.533 635 HH22 ARG 359 HH22 ARG 359 -17.893 2.462 14.604 636 H ASP 360 HN ASP 360 -11.095 1.749 7.203 637 HA ASP 360 HA ASP 360 -9.624 1.174 9.676 638 HB2 ASP 360 HB2 ASP 360 -9.069 -0.337 7.708 639 HB3 ASP 360 HB1 ASP 360 -8.395 1.083 6.926 640 HA PRO 361 HA PRO 361 -8.602 5.476 9.045 641 HB2 PRO 361 HB2 PRO 361 -8.070 6.038 11.601 642 HB3 PRO 361 HB1 PRO 361 -9.703 5.572 11.102 643 HG2 PRO 361 HG2 PRO 361 -7.756 4.051 12.689 644 HG3 PRO 361 HG1 PRO 361 -9.509 3.830 12.546 645 HD2 PRO 361 HD2 PRO 361 -7.362 2.430 11.127 646 HD3 PRO 361 HD1 PRO 361 -9.104 2.055 11.195 647 H ILE 362 HN ILE 362 -6.818 6.361 8.300 648 HA ILE 362 HA ILE 362 -4.234 5.554 9.441 649 HB ILE 362 HB ILE 362 -4.771 6.328 6.572 650 HG12 ILE 362 HG12 ILE 362 -4.422 3.695 7.970 651 HG13 ILE 362 HG11 ILE 362 -5.639 4.164 6.796 652 HG21 ILE 362 HG21 ILE 362 -2.461 5.805 6.159 653 HG22 ILE 362 HG22 ILE 362 -2.229 5.308 7.834 654 HG23 ILE 362 HG23 ILE 362 -2.551 7.001 7.453 655 HD11 ILE 362 HD11 ILE 362 -2.747 3.881 6.063 656 HD12 ILE 362 HD12 ILE 362 -4.155 3.914 5.000 657 HD13 ILE 362 HD13 ILE 362 -3.870 2.521 6.044 658 H VAL 363 HN VAL 363 -2.930 7.108 10.098 659 HA VAL 363 HA VAL 363 -3.757 9.893 9.614 660 HB VAL 363 HB VAL 363 -2.263 8.882 12.046 661 HG11 VAL 363 HG11 VAL 363 -1.822 11.210 11.559 662 HG12 VAL 363 HG12 VAL 363 -2.860 11.088 12.979 663 HG13 VAL 363 HG13 VAL 363 -3.550 11.536 11.420 664 HG21 VAL 363 HG21 VAL 363 -4.353 9.183 13.276 665 HG22 VAL 363 HG22 VAL 363 -4.523 7.963 12.017 666 HG23 VAL 363 HG23 VAL 363 -5.185 9.578 11.773 667 H ILE 364 HN ILE 364 -2.299 11.277 8.917 668 HA ILE 364 HA ILE 364 0.388 10.243 8.344 669 HB ILE 364 HB ILE 364 -1.545 11.313 6.561 670 HG12 ILE 364 HG12 ILE 364 0.161 10.807 4.875 671 HG13 ILE 364 HG11 ILE 364 1.384 10.705 6.134 672 HG21 ILE 364 HG21 ILE 364 -0.334 13.151 5.499 673 HG22 ILE 364 HG22 ILE 364 0.883 13.093 6.772 674 HG23 ILE 364 HG23 ILE 364 -0.773 13.552 7.159 675 HD11 ILE 364 HD11 ILE 364 -0.858 8.967 6.678 676 HD12 ILE 364 HD12 ILE 364 0.863 8.603 6.585 677 HD13 ILE 364 HD13 ILE 364 -0.114 8.624 5.117 678 H SEP 365 HN SEP 365 2.115 11.443 8.894 679 HA SEP 365 HA SEP 365 1.569 13.838 10.512 680 HB2 SEP 365 HB1 SEP 365 3.102 12.993 11.969 681 HB3 SEP 365 HB2 SEP 365 4.267 12.731 10.669 682 H ASP 366 HN ASP 366 2.351 15.714 9.893 683 HA ASP 366 HA ASP 366 4.011 15.796 7.465 684 HB2 ASP 366 HB2 ASP 366 1.621 16.554 7.192 685 HB3 ASP 366 HB1 ASP 366 1.952 17.840 8.343 686 H SEP 367 HN SEP 367 5.861 16.812 7.620 687 HA SEP 367 HA SEP 367 6.759 17.913 10.064 688 HB2 SEP 367 HB1 SEP 367 8.827 18.331 8.841 689 HB3 SEP 367 HB2 SEP 367 7.992 18.106 7.308 690 HA PRO 368 HA PRO 368 4.842 21.945 9.673 691 HB2 PRO 368 HB2 PRO 368 7.084 22.570 11.537 692 HB3 PRO 368 HB1 PRO 368 5.369 22.980 11.667 693 HG2 PRO 368 HG2 PRO 368 6.379 21.024 13.136 694 HG3 PRO 368 HG1 PRO 368 4.764 20.875 12.411 695 HD2 PRO 368 HD2 PRO 368 7.321 19.581 11.610 696 HD3 PRO 368 HD1 PRO 368 5.658 18.970 11.504 Start of MODEL 7 1 H ASP 16 HT1 ASP 16 -5.224 23.500 4.564 2 HA ASP 16 HA ASP 16 -6.059 22.425 7.188 3 HB2 ASP 16 HB2 ASP 16 -7.511 23.270 4.723 4 HB3 ASP 16 HB1 ASP 16 -8.086 21.826 5.547 5 H HIS 17 HN HIS 17 -7.044 20.211 6.833 6 HA HIS 17 HA HIS 17 -5.097 18.593 5.393 7 HB2 HIS 17 HB2 HIS 17 -7.125 18.053 7.537 8 HB3 HIS 17 HB1 HIS 17 -6.493 16.720 6.577 9 HD2 HIS 17 HD2 HIS 17 -3.906 15.968 7.112 10 HE1 HIS 17 HE1 HIS 17 -3.325 18.710 10.272 11 HE2 HIS 17 HE2 HIS 17 -2.512 16.564 9.211 12 H ILE 18 HN ILE 18 -5.842 16.762 4.084 13 HA ILE 18 HA ILE 18 -8.391 17.372 2.736 14 HB ILE 18 HB ILE 18 -6.465 17.859 1.291 15 HG12 ILE 18 HG12 ILE 18 -7.939 15.388 0.368 16 HG13 ILE 18 HG11 ILE 18 -8.595 17.023 0.333 17 HG21 ILE 18 HG21 ILE 18 -5.039 16.027 0.459 18 HG22 ILE 18 HG22 ILE 18 -5.770 14.952 1.651 19 HG23 ILE 18 HG23 ILE 18 -4.825 16.342 2.181 20 HD11 ILE 18 HD11 ILE 18 -6.904 17.708 -1.244 21 HD12 ILE 18 HD12 ILE 18 -7.749 16.285 -1.851 22 HD13 ILE 18 HD13 ILE 18 -6.138 16.122 -1.152 23 H ASN 19 HN ASN 19 -9.831 15.762 2.529 24 HA ASN 19 HA ASN 19 -9.293 13.301 3.949 25 HB2 ASN 19 HB2 ASN 19 -11.789 14.190 2.482 26 HB3 ASN 19 HB1 ASN 19 -11.666 12.795 3.550 27 HD21 ASN 19 HD21 ASN 19 -12.056 16.195 3.315 28 HD22 ASN 19 HD22 ASN 19 -12.269 16.501 5.011 29 H LEU 20 HN LEU 20 -7.958 11.982 2.782 30 HA LEU 20 HA LEU 20 -8.728 11.433 0.008 31 HB2 LEU 20 HB2 LEU 20 -6.193 10.889 1.540 32 HB3 LEU 20 HB1 LEU 20 -6.514 10.162 -0.023 33 HG LEU 20 HG LEU 20 -6.126 13.083 0.608 34 HD11 LEU 20 HD11 LEU 20 -4.705 11.305 -1.364 35 HD12 LEU 20 HD12 LEU 20 -4.136 11.605 0.278 36 HD13 LEU 20 HD13 LEU 20 -4.262 12.939 -0.868 37 HD21 LEU 20 HD21 LEU 20 -6.498 13.440 -1.839 38 HD22 LEU 20 HD22 LEU 20 -7.949 13.041 -0.924 39 HD23 LEU 20 HD23 LEU 20 -7.167 11.810 -1.916 40 H LYS 21 HN LYS 21 -9.744 9.634 -0.516 41 HA LYS 21 HA LYS 21 -10.080 7.595 1.565 42 HB2 LYS 21 HB2 LYS 21 -11.706 8.049 -0.946 43 HB3 LYS 21 HB1 LYS 21 -12.070 6.901 0.335 44 HG2 LYS 21 HG2 LYS 21 -12.586 8.626 1.866 45 HG3 LYS 21 HG1 LYS 21 -11.918 9.865 0.801 46 HD2 LYS 21 HD2 LYS 21 -13.686 9.386 -0.840 47 HD3 LYS 21 HD1 LYS 21 -14.361 8.175 0.254 48 HE2 LYS 21 HE2 LYS 21 -14.807 9.883 1.914 49 HE3 LYS 21 HE1 LYS 21 -14.043 11.103 0.899 50 HZ1 LYS 21 HZ1 LYS 21 -16.332 11.352 0.562 51 HZ2 LYS 21 HZ2 LYS 21 -16.596 9.682 0.441 52 HZ3 LYS 21 HZ3 LYS 21 -15.798 10.504 -0.804 53 H VAL 22 HN VAL 22 -9.141 5.681 1.346 54 HA VAL 22 HA VAL 22 -8.107 4.942 -1.311 55 HB VAL 22 HB VAL 22 -7.172 4.123 1.447 56 HG11 VAL 22 HG11 VAL 22 -7.110 2.192 -0.072 57 HG12 VAL 22 HG12 VAL 22 -5.492 2.736 0.367 58 HG13 VAL 22 HG13 VAL 22 -6.158 3.134 -1.216 59 HG21 VAL 22 HG21 VAL 22 -5.741 5.544 -0.790 60 HG22 VAL 22 HG22 VAL 22 -5.096 5.196 0.814 61 HG23 VAL 22 HG23 VAL 22 -6.435 6.327 0.625 62 H ALA 23 HN ALA 23 -8.952 3.206 -2.292 63 HA ALA 23 HA ALA 23 -10.829 1.572 -0.720 64 HB1 ALA 23 HB1 ALA 23 -12.047 1.161 -2.771 65 HB2 ALA 23 HB2 ALA 23 -10.846 2.071 -3.691 66 HB3 ALA 23 HB3 ALA 23 -11.866 2.898 -2.512 67 H GLY 24 HN GLY 24 -10.069 -0.354 -0.223 68 HA2 GLY 24 HA2 GLY 24 -7.942 -1.573 -1.753 69 HA3 GLY 24 HA1 GLY 24 -8.711 -2.241 -0.316 70 H GLN 25 HN GLN 25 -8.127 -3.821 -2.552 71 HA GLN 25 HA GLN 25 -10.311 -4.063 -4.340 72 HB2 GLN 25 HB2 GLN 25 -8.327 -6.196 -3.529 73 HB3 GLN 25 HB1 GLN 25 -9.347 -6.214 -4.960 74 HG2 GLN 25 HG2 GLN 25 -7.049 -4.370 -4.368 75 HG3 GLN 25 HG1 GLN 25 -7.159 -5.591 -5.634 76 HE21 GLN 25 HE21 GLN 25 -6.699 -2.651 -5.666 77 HE22 GLN 25 HE22 GLN 25 -7.875 -2.012 -6.775 78 H ASP 26 HN ASP 26 -9.810 -5.092 -1.103 79 HA ASP 26 HA ASP 26 -11.880 -7.110 -1.157 80 HB2 ASP 26 HB2 ASP 26 -11.403 -7.425 1.192 81 HB3 ASP 26 HB1 ASP 26 -9.886 -7.335 0.306 82 H GLY 27 HN GLY 27 -11.872 -3.780 -1.030 83 HA2 GLY 27 HA2 GLY 27 -13.879 -2.522 -0.970 84 HA3 GLY 27 HA1 GLY 27 -14.621 -3.799 -0.018 85 H SER 28 HN SER 28 -11.475 -2.755 0.908 86 HA SER 28 HA SER 28 -12.464 -1.835 3.441 87 HB2 SER 28 HB2 SER 28 -9.840 -1.226 3.526 88 HB3 SER 28 HB1 SER 28 -10.440 -2.858 3.803 89 HG SER 28 HG SER 28 -9.552 -3.492 1.989 90 H VAL 29 HN VAL 29 -13.102 0.189 3.848 91 HA VAL 29 HA VAL 29 -12.214 2.316 2.049 92 HB VAL 29 HB VAL 29 -14.600 2.268 2.343 93 HG11 VAL 29 HG11 VAL 29 -14.682 1.097 4.501 94 HG12 VAL 29 HG12 VAL 29 -15.723 2.521 4.463 95 HG13 VAL 29 HG13 VAL 29 -14.176 2.581 5.307 96 HG21 VAL 29 HG21 VAL 29 -15.016 4.533 3.205 97 HG22 VAL 29 HG22 VAL 29 -13.619 4.466 2.131 98 HG23 VAL 29 HG23 VAL 29 -13.383 4.560 3.876 99 H VAL 30 HN VAL 30 -10.304 3.055 2.620 100 HA VAL 30 HA VAL 30 -9.623 3.319 5.450 101 HB VAL 30 HB VAL 30 -7.711 4.023 3.271 102 HG11 VAL 30 HG11 VAL 30 -6.175 3.824 4.871 103 HG12 VAL 30 HG12 VAL 30 -6.848 2.304 5.457 104 HG13 VAL 30 HG13 VAL 30 -7.533 3.838 5.997 105 HG21 VAL 30 HG21 VAL 30 -7.039 1.616 3.132 106 HG22 VAL 30 HG22 VAL 30 -8.603 1.980 2.400 107 HG23 VAL 30 HG23 VAL 30 -8.528 1.210 3.986 108 H GLN 31 HN GLN 31 -9.628 5.187 6.479 109 HA GLN 31 HA GLN 31 -10.110 7.650 4.973 110 HB2 GLN 31 HB2 GLN 31 -11.562 7.081 6.933 111 HB3 GLN 31 HB1 GLN 31 -10.147 7.208 7.970 112 HG2 GLN 31 HG2 GLN 31 -9.900 9.559 7.330 113 HG3 GLN 31 HG1 GLN 31 -11.338 9.426 6.320 114 HE21 GLN 31 HE21 GLN 31 -10.849 11.175 8.590 115 HE22 GLN 31 HE22 GLN 31 -12.095 10.833 9.736 116 H PHE 32 HN PHE 32 -8.312 8.612 4.297 117 HA PHE 32 HA PHE 32 -5.895 8.478 5.939 118 HB2 PHE 32 HB2 PHE 32 -6.467 8.763 3.066 119 HB3 PHE 32 HB1 PHE 32 -5.145 9.765 3.651 120 HD1 PHE 32 HD1 PHE 32 -6.359 6.293 3.356 121 HD2 PHE 32 HD2 PHE 32 -3.054 8.846 4.151 122 HE1 PHE 32 HE1 PHE 32 -4.836 4.364 3.197 123 HE2 PHE 32 HE2 PHE 32 -1.527 6.930 3.996 124 HZ PHE 32 HZ PHE 32 -2.416 4.683 3.518 125 H LYS 33 HN LYS 33 -5.689 10.086 7.367 126 HA LYS 33 HA LYS 33 -6.667 12.755 6.700 127 HB2 LYS 33 HB2 LYS 33 -7.074 11.841 8.977 128 HB3 LYS 33 HB1 LYS 33 -5.336 11.759 9.233 129 HG2 LYS 33 HG2 LYS 33 -5.184 14.188 8.990 130 HG3 LYS 33 HG1 LYS 33 -6.929 14.268 8.748 131 HD2 LYS 33 HD2 LYS 33 -7.296 13.365 10.981 132 HD3 LYS 33 HD1 LYS 33 -5.553 13.223 11.224 133 HE2 LYS 33 HE2 LYS 33 -5.309 15.633 11.058 134 HE3 LYS 33 HE1 LYS 33 -7.030 15.804 10.711 135 HZ1 LYS 33 HZ1 LYS 33 -6.382 16.269 13.053 136 HZ2 LYS 33 HZ2 LYS 33 -5.981 14.638 13.225 137 HZ3 LYS 33 HZ3 LYS 33 -7.574 15.081 12.885 138 H ILE 34 HN ILE 34 -5.263 13.361 5.095 139 HA ILE 34 HA ILE 34 -2.467 13.761 5.920 140 HB ILE 34 HB ILE 34 -2.564 11.885 4.367 141 HG12 ILE 34 HG12 ILE 34 -1.545 14.341 2.923 142 HG13 ILE 34 HG11 ILE 34 -0.642 13.412 4.108 143 HG21 ILE 34 HG21 ILE 34 -4.668 12.304 3.306 144 HG22 ILE 34 HG22 ILE 34 -3.420 12.180 2.067 145 HG23 ILE 34 HG23 ILE 34 -4.038 13.763 2.538 146 HD11 ILE 34 HD11 ILE 34 0.163 12.693 2.043 147 HD12 ILE 34 HD12 ILE 34 -1.452 12.618 1.340 148 HD13 ILE 34 HD13 ILE 34 -0.959 11.427 2.544 149 H LYS 35 HN LYS 35 -1.390 15.548 4.578 150 HA LYS 35 HA LYS 35 -3.300 17.717 4.168 151 HB2 LYS 35 HB2 LYS 35 -0.287 17.685 4.357 152 HB3 LYS 35 HB1 LYS 35 -1.205 19.120 3.926 153 HG2 LYS 35 HG2 LYS 35 -2.469 18.696 6.138 154 HG3 LYS 35 HG1 LYS 35 -1.088 17.673 6.537 155 HD2 LYS 35 HD2 LYS 35 0.389 19.641 6.000 156 HD3 LYS 35 HD1 LYS 35 -1.077 20.619 5.900 157 HE2 LYS 35 HE2 LYS 35 -1.376 20.639 8.133 158 HE3 LYS 35 HE1 LYS 35 -0.821 18.977 8.328 159 HZ1 LYS 35 HZ1 LYS 35 1.483 19.919 7.863 160 HZ2 LYS 35 HZ2 LYS 35 0.791 20.271 9.368 161 HZ3 LYS 35 HZ3 LYS 35 0.796 21.441 8.154 162 H ARG 36 HN ARG 36 -2.395 19.282 2.261 163 HA ARG 36 HA ARG 36 -2.694 17.616 -0.102 164 HB2 ARG 36 HB2 ARG 36 -2.608 20.628 0.106 165 HB3 ARG 36 HB1 ARG 36 -3.091 19.695 -1.303 166 HG2 ARG 36 HG2 ARG 36 -4.932 18.730 0.132 167 HG3 ARG 36 HG1 ARG 36 -4.524 19.969 1.321 168 HD2 ARG 36 HD2 ARG 36 -6.205 21.005 0.136 169 HD3 ARG 36 HD1 ARG 36 -4.773 21.595 -0.705 170 HE ARG 36 HE ARG 36 -5.318 19.523 -2.213 171 HH11 ARG 36 HH11 ARG 36 -7.553 21.827 -0.772 172 HH12 ARG 36 HH12 ARG 36 -8.763 21.645 -2.098 173 HH21 ARG 36 HH21 ARG 36 -6.856 19.256 -3.909 174 HH22 ARG 36 HH22 ARG 36 -8.372 20.251 -3.850 175 H HIS 37 HN HIS 37 -0.156 19.193 1.570 176 HA HIS 37 HA HIS 37 1.522 19.193 -0.831 177 HB2 HIS 37 HB2 HIS 37 2.979 20.680 0.233 178 HB3 HIS 37 HB1 HIS 37 1.388 21.200 0.766 179 HD2 HIS 37 HD2 HIS 37 0.861 19.591 3.400 180 HE1 HIS 37 HE1 HIS 37 4.797 20.653 4.525 181 HE2 HIS 37 HE2 HIS 37 2.639 19.567 5.297 182 H THR 38 HN THR 38 0.810 17.203 1.764 183 HA THR 38 HA THR 38 3.364 16.092 2.303 184 HB THR 38 HB THR 38 0.737 14.654 2.656 185 HG1 THR 38 HG1 THR 38 1.901 16.483 4.524 186 HG21 THR 38 HG21 THR 38 3.280 14.623 4.282 187 HG22 THR 38 HG22 THR 38 2.811 13.396 3.107 188 HG23 THR 38 HG23 THR 38 1.847 13.636 4.563 189 HA PRO 39 HA PRO 39 3.954 13.851 -1.527 190 HB2 PRO 39 HB2 PRO 39 5.665 12.162 0.222 191 HB3 PRO 39 HB1 PRO 39 6.059 12.970 -1.302 192 HG2 PRO 39 HG2 PRO 39 6.969 13.937 0.992 193 HG3 PRO 39 HG1 PRO 39 6.412 15.022 -0.299 194 HD2 PRO 39 HD2 PRO 39 5.040 14.247 2.233 195 HD3 PRO 39 HD1 PRO 39 5.066 15.810 1.391 196 H LEU 40 HN LEU 40 2.901 12.208 -2.440 197 HA LEU 40 HA LEU 40 1.145 10.583 -0.908 198 HB2 LEU 40 HB2 LEU 40 1.932 10.596 -3.810 199 HB3 LEU 40 HB1 LEU 40 0.813 9.412 -3.160 200 HG LEU 40 HG LEU 40 0.401 12.404 -3.072 201 HD11 LEU 40 HD11 LEU 40 -1.296 12.033 -4.772 202 HD12 LEU 40 HD12 LEU 40 -0.882 10.320 -4.828 203 HD13 LEU 40 HD13 LEU 40 0.291 11.529 -5.349 204 HD21 LEU 40 HD21 LEU 40 -1.344 10.084 -2.257 205 HD22 LEU 40 HD22 LEU 40 -1.929 11.735 -2.456 206 HD23 LEU 40 HD23 LEU 40 -0.719 11.373 -1.227 207 H SER 41 HN SER 41 4.421 10.257 -1.698 208 HA SER 41 HA SER 41 4.668 7.455 -1.869 209 HB2 SER 41 HB2 SER 41 7.006 8.359 -0.668 210 HB3 SER 41 HB1 SER 41 6.712 8.269 -2.406 211 HG SER 41 HG SER 41 6.701 10.360 -2.466 212 H LYS 42 HN LYS 42 4.462 9.720 0.779 213 HA LYS 42 HA LYS 42 5.082 7.889 2.870 214 HB2 LYS 42 HB2 LYS 42 5.081 10.489 2.870 215 HB3 LYS 42 HB1 LYS 42 3.360 10.338 3.192 216 HG2 LYS 42 HG2 LYS 42 3.815 9.121 5.228 217 HG3 LYS 42 HG1 LYS 42 5.548 9.162 4.893 218 HD2 LYS 42 HD2 LYS 42 5.120 11.759 4.780 219 HD3 LYS 42 HD1 LYS 42 3.725 11.346 5.778 220 HE2 LYS 42 HE2 LYS 42 5.141 10.349 7.442 221 HE3 LYS 42 HE1 LYS 42 6.556 10.535 6.409 222 HZ1 LYS 42 HZ1 LYS 42 4.967 12.716 7.635 223 HZ2 LYS 42 HZ2 LYS 42 6.237 12.956 6.547 224 HZ3 LYS 42 HZ3 LYS 42 6.539 12.256 8.055 225 H LEU 43 HN LEU 43 2.208 8.890 1.174 226 HA LEU 43 HA LEU 43 0.272 7.725 2.860 227 HB2 LEU 43 HB2 LEU 43 -0.194 9.430 1.117 228 HB3 LEU 43 HB1 LEU 43 0.153 8.236 -0.116 229 HG LEU 43 HG LEU 43 -1.947 7.471 1.812 230 HD11 LEU 43 HD11 LEU 43 -2.489 9.810 1.592 231 HD12 LEU 43 HD12 LEU 43 -3.640 8.849 0.661 232 HD13 LEU 43 HD13 LEU 43 -2.341 9.712 -0.162 233 HD21 LEU 43 HD21 LEU 43 -1.792 7.437 -1.206 234 HD22 LEU 43 HD22 LEU 43 -3.017 6.645 -0.210 235 HD23 LEU 43 HD23 LEU 43 -1.338 6.103 -0.142 236 H MET 44 HN MET 44 2.015 6.567 0.016 237 HA MET 44 HA MET 44 0.747 4.077 -0.233 238 HB2 MET 44 HB2 MET 44 3.565 4.901 -0.968 239 HB3 MET 44 HB1 MET 44 2.825 3.379 -1.446 240 HG2 MET 44 HG2 MET 44 0.993 4.832 -2.504 241 HG3 MET 44 HG1 MET 44 2.140 6.157 -2.326 242 HE1 MET 44 HE1 MET 44 4.455 6.329 -3.697 243 HE2 MET 44 HE2 MET 44 5.145 4.929 -4.517 244 HE3 MET 44 HE3 MET 44 4.888 4.889 -2.774 245 H LYS 45 HN LYS 45 3.664 5.039 1.523 246 HA LYS 45 HA LYS 45 4.295 2.478 2.523 247 HB2 LYS 45 HB2 LYS 45 5.001 5.238 3.526 248 HB3 LYS 45 HB1 LYS 45 5.652 3.759 4.220 249 HG2 LYS 45 HG2 LYS 45 6.566 3.188 1.977 250 HG3 LYS 45 HG1 LYS 45 6.038 4.775 1.414 251 HD2 LYS 45 HD2 LYS 45 7.887 4.363 3.754 252 HD3 LYS 45 HD1 LYS 45 8.449 4.631 2.104 253 HE2 LYS 45 HE2 LYS 45 7.038 6.751 2.140 254 HE3 LYS 45 HE1 LYS 45 6.908 6.508 3.881 255 HZ1 LYS 45 HZ1 LYS 45 9.399 6.925 2.317 256 HZ2 LYS 45 HZ2 LYS 45 9.373 6.504 3.955 257 HZ3 LYS 45 HZ3 LYS 45 8.717 7.978 3.454 258 H ALA 46 HN ALA 46 2.280 5.093 3.766 259 HA ALA 46 HA ALA 46 1.869 4.160 6.357 260 HB1 ALA 46 HB1 ALA 46 1.173 6.378 5.587 261 HB2 ALA 46 HB2 ALA 46 -0.153 5.517 6.368 262 HB3 ALA 46 HB3 ALA 46 -0.092 5.635 4.610 263 H TYR 47 HN TYR 47 -0.068 3.507 3.429 264 HA TYR 47 HA TYR 47 -1.844 1.722 4.767 265 HB2 TYR 47 HB2 TYR 47 -2.403 2.912 2.641 266 HB3 TYR 47 HB1 TYR 47 -1.253 1.877 1.802 267 HD1 TYR 47 HD1 TYR 47 -2.112 0.041 0.703 268 HD2 TYR 47 HD2 TYR 47 -4.181 1.529 4.113 269 HE1 TYR 47 HE1 TYR 47 -3.867 -1.645 0.368 270 HE2 TYR 47 HE2 TYR 47 -5.941 -0.157 3.784 271 HH TYR 47 HH TYR 47 -6.854 -1.551 2.007 272 H CYS 48 HN CYS 48 1.162 1.373 3.022 273 HA CYS 48 HA CYS 48 1.179 -1.410 2.698 274 HB2 CYS 48 HB2 CYS 48 2.727 0.219 1.593 275 HB3 CYS 48 HB1 CYS 48 3.570 0.393 3.127 276 HG CYS 48 HG CYS 48 4.036 -2.519 3.124 277 H GLU 49 HN GLU 49 2.399 0.635 5.333 278 HA GLU 49 HA GLU 49 3.390 -1.545 6.883 279 HB2 GLU 49 HB2 GLU 49 2.713 1.299 7.647 280 HB3 GLU 49 HB1 GLU 49 3.526 0.155 8.705 281 HG2 GLU 49 HG2 GLU 49 4.609 0.889 6.008 282 HG3 GLU 49 HG1 GLU 49 4.976 1.818 7.460 283 H ARG 50 HN ARG 50 0.329 0.091 6.613 284 HA ARG 50 HA ARG 50 -0.896 -0.773 8.993 285 HB2 ARG 50 HB2 ARG 50 -1.767 0.994 7.445 286 HB3 ARG 50 HB1 ARG 50 -2.213 -0.274 6.315 287 HG2 ARG 50 HG2 ARG 50 -4.211 0.096 7.356 288 HG3 ARG 50 HG1 ARG 50 -3.569 -1.200 8.363 289 HD2 ARG 50 HD2 ARG 50 -2.875 1.565 9.141 290 HD3 ARG 50 HD1 ARG 50 -4.553 1.078 9.358 291 HE ARG 50 HE ARG 50 -2.226 0.053 10.771 292 HH11 ARG 50 HH11 ARG 50 -5.679 -0.159 10.083 293 HH12 ARG 50 HH12 ARG 50 -6.018 -1.169 11.549 294 HH21 ARG 50 HH21 ARG 50 -4.287 -1.747 12.980 295 HH22 ARG 50 HH22 ARG 50 -2.606 -1.197 12.634 296 H GLN 51 HN GLN 51 -0.922 -2.147 5.721 297 HA GLN 51 HA GLN 51 -2.333 -4.507 6.592 298 HB2 GLN 51 HB2 GLN 51 -1.006 -3.927 3.937 299 HB3 GLN 51 HB1 GLN 51 -2.148 -5.222 4.268 300 HG2 GLN 51 HG2 GLN 51 -2.759 -2.280 4.431 301 HG3 GLN 51 HG1 GLN 51 -3.183 -3.341 3.088 302 HE21 GLN 51 HE21 GLN 51 -4.847 -4.808 3.333 303 HE22 GLN 51 HE22 GLN 51 -5.961 -4.745 4.649 304 H GLY 52 HN GLY 52 0.896 -3.516 6.574 305 HA2 GLY 52 HA2 GLY 52 2.829 -4.613 7.159 306 HA3 GLY 52 HA1 GLY 52 1.827 -5.983 7.612 307 H LEU 53 HN LEU 53 2.591 -4.345 4.543 308 HA LEU 53 HA LEU 53 3.511 -6.933 3.495 309 HB2 LEU 53 HB2 LEU 53 1.613 -4.994 2.186 310 HB3 LEU 53 HB1 LEU 53 2.455 -6.248 1.298 311 HG LEU 53 HG LEU 53 0.601 -6.802 3.608 312 HD11 LEU 53 HD11 LEU 53 0.032 -6.910 0.649 313 HD12 LEU 53 HD12 LEU 53 -0.625 -5.735 1.789 314 HD13 LEU 53 HD13 LEU 53 -1.053 -7.440 1.935 315 HD21 LEU 53 HD21 LEU 53 2.200 -8.570 3.225 316 HD22 LEU 53 HD22 LEU 53 1.838 -8.569 1.499 317 HD23 LEU 53 HD23 LEU 53 0.610 -9.085 2.657 318 H SER 54 HN SER 54 4.287 -6.262 1.024 319 HA SER 54 HA SER 54 6.479 -4.392 1.514 320 HB2 SER 54 HB2 SER 54 7.124 -6.616 0.752 321 HB3 SER 54 HB1 SER 54 6.057 -6.476 -0.643 322 HG SER 54 HG SER 54 8.592 -5.690 -0.399 323 H MET 55 HN MET 55 6.680 -2.502 0.425 324 HA MET 55 HA MET 55 4.427 -1.471 -0.973 325 HB2 MET 55 HB2 MET 55 6.108 -0.154 0.413 326 HB3 MET 55 HB1 MET 55 7.194 -0.272 -0.965 327 HG2 MET 55 HG2 MET 55 5.527 0.873 -2.358 328 HG3 MET 55 HG1 MET 55 4.474 1.022 -0.954 329 HE1 MET 55 HE1 MET 55 7.663 2.230 -2.784 330 HE2 MET 55 HE2 MET 55 8.409 1.496 -1.364 331 HE3 MET 55 HE3 MET 55 8.464 3.245 -1.584 332 H ARG 56 HN ARG 56 7.245 -3.176 -1.945 333 HA ARG 56 HA ARG 56 7.107 -2.297 -4.702 334 HB2 ARG 56 HB2 ARG 56 9.263 -2.863 -3.535 335 HB3 ARG 56 HB1 ARG 56 8.750 -4.544 -3.520 336 HG2 ARG 56 HG2 ARG 56 8.767 -4.630 -5.918 337 HG3 ARG 56 HG1 ARG 56 9.097 -2.901 -6.014 338 HD2 ARG 56 HD2 ARG 56 11.269 -3.168 -5.122 339 HD3 ARG 56 HD1 ARG 56 10.936 -4.820 -4.614 340 HE ARG 56 HE ARG 56 10.813 -5.355 -7.048 341 HH11 ARG 56 HH11 ARG 56 13.770 -2.596 -7.315 342 HH12 ARG 56 HH12 ARG 56 12.606 -2.528 -5.940 343 HH21 ARG 56 HH21 ARG 56 13.549 -4.203 -8.936 344 HH22 ARG 56 HH22 ARG 56 12.237 -5.437 -8.820 345 H GLN 57 HN GLN 57 5.399 -4.402 -2.812 346 HA GLN 57 HA GLN 57 4.920 -6.361 -4.927 347 HB2 GLN 57 HB2 GLN 57 5.307 -7.035 -2.513 348 HB3 GLN 57 HB1 GLN 57 3.738 -6.331 -2.152 349 HG2 GLN 57 HG2 GLN 57 2.901 -7.913 -4.040 350 HG3 GLN 57 HG1 GLN 57 4.400 -8.783 -3.714 351 HE21 GLN 57 HE21 GLN 57 1.654 -9.631 -3.311 352 HE22 GLN 57 HE22 GLN 57 1.489 -9.992 -1.628 353 H ILE 58 HN ILE 58 3.556 -3.537 -3.559 354 HA ILE 58 HA ILE 58 0.977 -4.093 -4.871 355 HB ILE 58 HB ILE 58 0.109 -2.207 -3.388 356 HG12 ILE 58 HG12 ILE 58 2.685 -2.827 -1.921 357 HG13 ILE 58 HG11 ILE 58 2.280 -1.299 -2.693 358 HG21 ILE 58 HG21 ILE 58 -0.504 -4.507 -3.017 359 HG22 ILE 58 HG22 ILE 58 -0.206 -3.727 -1.465 360 HG23 ILE 58 HG23 ILE 58 1.005 -4.808 -2.154 361 HD11 ILE 58 HD11 ILE 58 0.931 -2.517 -0.296 362 HD12 ILE 58 HD12 ILE 58 0.413 -1.036 -1.103 363 HD13 ILE 58 HD13 ILE 58 1.994 -1.110 -0.323 364 H ARG 59 HN ARG 59 -0.137 -2.142 -5.737 365 HA ARG 59 HA ARG 59 1.701 -0.057 -6.687 366 HB2 ARG 59 HB2 ARG 59 -0.137 -1.694 -8.451 367 HB3 ARG 59 HB1 ARG 59 0.689 -0.234 -8.971 368 HG2 ARG 59 HG2 ARG 59 2.032 -2.771 -8.061 369 HG3 ARG 59 HG1 ARG 59 1.821 -2.259 -9.737 370 HD2 ARG 59 HD2 ARG 59 3.140 -0.216 -9.218 371 HD3 ARG 59 HD1 ARG 59 3.431 -0.860 -7.602 372 HE ARG 59 HE ARG 59 4.649 -1.732 -10.080 373 HH11 ARG 59 HH11 ARG 59 5.320 -3.677 -6.589 374 HH12 ARG 59 HH12 ARG 59 4.008 -2.433 -6.686 375 HH21 ARG 59 HH21 ARG 59 6.334 -3.262 -9.975 376 HH22 ARG 59 HH22 ARG 59 6.629 -4.124 -8.416 377 H PHE 60 HN PHE 60 0.822 1.931 -6.604 378 HA PHE 60 HA PHE 60 -2.029 2.121 -5.940 379 HB2 PHE 60 HB2 PHE 60 0.308 3.975 -5.482 380 HB3 PHE 60 HB1 PHE 60 -1.357 4.507 -5.284 381 HD1 PHE 60 HD1 PHE 60 0.891 1.734 -4.172 382 HD2 PHE 60 HD2 PHE 60 -2.284 4.398 -3.191 383 HE1 PHE 60 HE1 PHE 60 0.893 0.881 -1.870 384 HE2 PHE 60 HE2 PHE 60 -2.286 3.542 -0.882 385 HZ PHE 60 HZ PHE 60 -0.695 1.787 -0.222 386 H ARG 61 HN ARG 61 -3.459 3.224 -7.200 387 HA ARG 61 HA ARG 61 -2.360 4.610 -9.558 388 HB2 ARG 61 HB2 ARG 61 -4.581 2.585 -9.464 389 HB3 ARG 61 HB1 ARG 61 -4.443 3.745 -10.777 390 HG2 ARG 61 HG2 ARG 61 -2.082 2.869 -11.097 391 HG3 ARG 61 HG1 ARG 61 -2.551 1.544 -10.030 392 HD2 ARG 61 HD2 ARG 61 -4.543 1.221 -11.592 393 HD3 ARG 61 HD1 ARG 61 -3.680 2.269 -12.719 394 HE ARG 61 HE ARG 61 -1.800 0.508 -12.302 395 HH11 ARG 61 HH11 ARG 61 -5.018 -1.730 -13.326 396 HH12 ARG 61 HH12 ARG 61 -5.249 -0.042 -12.741 397 HH21 ARG 61 HH21 ARG 61 -1.469 -1.620 -13.072 398 HH22 ARG 61 HH22 ARG 61 -2.914 -2.608 -13.517 399 H PHE 62 HN PHE 62 -3.421 6.364 -10.301 400 HA PHE 62 HA PHE 62 -5.806 7.279 -8.859 401 HB2 PHE 62 HB2 PHE 62 -4.053 8.522 -7.808 402 HB3 PHE 62 HB1 PHE 62 -3.253 8.829 -9.347 403 HD1 PHE 62 HD1 PHE 62 -6.446 9.514 -7.544 404 HD2 PHE 62 HD2 PHE 62 -3.603 10.844 -10.429 405 HE1 PHE 62 HE1 PHE 62 -7.645 11.653 -7.733 406 HE2 PHE 62 HE2 PHE 62 -4.800 12.986 -10.618 407 HZ PHE 62 HZ PHE 62 -6.818 13.393 -9.274 408 H ASP 63 HN ASP 63 -7.339 7.465 -10.334 409 HA ASP 63 HA ASP 63 -8.472 7.856 -12.252 410 HB2 ASP 63 HB2 ASP 63 -7.448 10.170 -11.739 411 HB3 ASP 63 HB1 ASP 63 -6.324 9.813 -13.046 412 H GLY 64 HN GLY 64 -6.654 5.707 -12.267 413 HA2 GLY 64 HA2 GLY 64 -6.116 4.130 -13.884 414 HA3 GLY 64 HA1 GLY 64 -6.413 5.336 -15.123 415 H GLN 65 HN GLN 65 -4.457 6.974 -13.203 416 HA GLN 65 HA GLN 65 -2.074 6.142 -14.694 417 HB2 GLN 65 HB2 GLN 65 -2.713 8.689 -13.200 418 HB3 GLN 65 HB1 GLN 65 -1.163 8.362 -13.959 419 HG2 GLN 65 HG2 GLN 65 -3.789 8.444 -15.424 420 HG3 GLN 65 HG1 GLN 65 -2.679 9.807 -15.288 421 HE21 GLN 65 HE21 GLN 65 -0.312 8.093 -15.476 422 HE22 GLN 65 HE22 GLN 65 -0.199 7.614 -17.132 423 HA PRO 66 HA PRO 66 -0.450 4.399 -10.938 424 HB2 PRO 66 HB2 PRO 66 2.138 4.130 -11.747 425 HB3 PRO 66 HB1 PRO 66 0.851 3.025 -12.246 426 HG2 PRO 66 HG2 PRO 66 2.066 5.292 -13.747 427 HG3 PRO 66 HG1 PRO 66 1.560 3.696 -14.331 428 HD2 PRO 66 HD2 PRO 66 0.074 5.934 -14.700 429 HD3 PRO 66 HD1 PRO 66 -0.637 4.316 -14.536 430 H ILE 67 HN ILE 67 0.047 5.484 -9.155 431 HA ILE 67 HA ILE 67 0.951 8.172 -9.205 432 HB ILE 67 HB ILE 67 0.803 6.272 -6.858 433 HG12 ILE 67 HG12 ILE 67 -1.199 8.253 -7.959 434 HG13 ILE 67 HG11 ILE 67 -1.363 6.502 -7.956 435 HG21 ILE 67 HG21 ILE 67 0.944 9.286 -6.932 436 HG22 ILE 67 HG22 ILE 67 2.211 8.191 -6.369 437 HG23 ILE 67 HG23 ILE 67 0.685 8.307 -5.488 438 HD11 ILE 67 HD11 ILE 67 -1.302 8.285 -5.532 439 HD12 ILE 67 HD12 ILE 67 -1.439 6.527 -5.514 440 HD13 ILE 67 HD13 ILE 67 -2.722 7.503 -6.226 441 H ASN 68 HN ASN 68 2.918 9.065 -8.670 442 HA ASN 68 HA ASN 68 5.212 7.248 -8.833 443 HB2 ASN 68 HB2 ASN 68 5.092 10.257 -9.137 444 HB3 ASN 68 HB1 ASN 68 6.527 9.262 -9.368 445 HD21 ASN 68 HD21 ASN 68 3.706 10.528 -10.759 446 HD22 ASN 68 HD22 ASN 68 3.854 9.768 -12.315 447 H GLU 69 HN GLU 69 7.181 8.097 -7.555 448 HA GLU 69 HA GLU 69 6.447 8.108 -4.795 449 HB2 GLU 69 HB2 GLU 69 9.141 8.503 -6.106 450 HB3 GLU 69 HB1 GLU 69 8.884 8.275 -4.385 451 HG2 GLU 69 HG2 GLU 69 7.858 6.059 -4.908 452 HG3 GLU 69 HG1 GLU 69 8.356 6.296 -6.584 453 H THR 70 HN THR 70 7.999 10.475 -6.944 454 HA THR 70 HA THR 70 7.862 12.526 -4.904 455 HB THR 70 HB THR 70 8.560 13.326 -7.654 456 HG1 THR 70 HG1 THR 70 9.955 11.776 -7.974 457 HG21 THR 70 HG21 THR 70 8.899 14.778 -5.705 458 HG22 THR 70 HG22 THR 70 10.427 14.395 -6.499 459 HG23 THR 70 HG23 THR 70 9.978 13.579 -5.000 460 H ASP 71 HN ASP 71 5.310 11.700 -5.429 461 HA ASP 71 HA ASP 71 4.195 13.981 -6.929 462 HB2 ASP 71 HB2 ASP 71 3.670 11.146 -7.222 463 HB3 ASP 71 HB1 ASP 71 2.197 12.012 -6.792 464 H THR 72 HN THR 72 2.382 14.991 -6.037 465 HA THR 72 HA THR 72 1.695 14.213 -3.282 466 HB THR 72 HB THR 72 1.538 16.615 -2.688 467 HG1 THR 72 HG1 THR 72 2.722 18.052 -4.237 468 HG21 THR 72 HG21 THR 72 4.171 15.515 -3.611 469 HG22 THR 72 HG22 THR 72 3.548 15.684 -1.969 470 HG23 THR 72 HG23 THR 72 4.058 17.111 -2.866 471 HA PRO 73 HA PRO 73 -2.579 14.608 -4.406 472 HB2 PRO 73 HB2 PRO 73 -2.972 16.625 -2.261 473 HB3 PRO 73 HB1 PRO 73 -3.803 15.085 -2.519 474 HG2 PRO 73 HG2 PRO 73 -2.020 15.352 -0.565 475 HG3 PRO 73 HG1 PRO 73 -2.145 13.847 -1.500 476 HD2 PRO 73 HD2 PRO 73 -0.105 16.013 -1.678 477 HD3 PRO 73 HD1 PRO 73 0.088 14.257 -1.861 478 H ALA 74 HN ALA 74 -0.884 17.612 -3.664 479 HA ALA 74 HA ALA 74 -2.654 19.272 -5.184 480 HB1 ALA 74 HB1 ALA 74 -1.008 21.030 -4.788 481 HB2 ALA 74 HB2 ALA 74 0.124 19.835 -4.154 482 HB3 ALA 74 HB3 ALA 74 -1.384 20.161 -3.299 483 H GLN 75 HN GLN 75 0.407 17.625 -5.785 484 HA GLN 75 HA GLN 75 0.921 18.898 -8.283 485 HB2 GLN 75 HB2 GLN 75 2.547 17.586 -6.729 486 HB3 GLN 75 HB1 GLN 75 1.960 16.169 -7.588 487 HG2 GLN 75 HG2 GLN 75 4.016 16.962 -8.579 488 HG3 GLN 75 HG1 GLN 75 2.676 17.159 -9.709 489 HE21 GLN 75 HE21 GLN 75 3.560 18.792 -10.890 490 HE22 GLN 75 HE22 GLN 75 3.858 20.375 -10.261 491 H LEU 76 HN LEU 76 -0.951 16.109 -7.329 492 HA LEU 76 HA LEU 76 -1.312 15.300 -10.103 493 HB2 LEU 76 HB2 LEU 76 -2.092 14.127 -7.464 494 HB3 LEU 76 HB1 LEU 76 -2.898 13.595 -8.926 495 HG LEU 76 HG LEU 76 0.082 13.442 -8.451 496 HD11 LEU 76 HD11 LEU 76 -1.972 11.238 -8.439 497 HD12 LEU 76 HD12 LEU 76 -1.247 11.943 -6.995 498 HD13 LEU 76 HD13 LEU 76 -0.238 11.077 -8.155 499 HD21 LEU 76 HD21 LEU 76 -0.414 13.640 -10.797 500 HD22 LEU 76 HD22 LEU 76 -1.672 12.413 -10.677 501 HD23 LEU 76 HD23 LEU 76 0.018 11.966 -10.446 502 H GLU 77 HN GLU 77 -2.543 17.692 -8.337 503 HA GLU 77 HA GLU 77 -4.407 18.992 -8.404 504 HB2 GLU 77 HB2 GLU 77 -4.894 17.447 -10.960 505 HB3 GLU 77 HB1 GLU 77 -5.805 18.867 -10.470 506 HG2 GLU 77 HG2 GLU 77 -2.854 19.106 -10.598 507 HG3 GLU 77 HG1 GLU 77 -3.740 19.002 -12.118 508 H MET 78 HN MET 78 -4.583 16.820 -6.736 509 HA MET 78 HA MET 78 -7.149 15.520 -7.170 510 HB2 MET 78 HB2 MET 78 -5.280 15.313 -4.798 511 HB3 MET 78 HB1 MET 78 -6.641 14.259 -5.155 512 HG2 MET 78 HG2 MET 78 -5.534 13.364 -7.069 513 HG3 MET 78 HG1 MET 78 -4.238 14.552 -6.936 514 HE1 MET 78 HE1 MET 78 -6.036 12.302 -4.190 515 HE2 MET 78 HE2 MET 78 -4.900 10.955 -4.125 516 HE3 MET 78 HE3 MET 78 -5.812 11.272 -5.602 517 H GLU 79 HN GLU 79 -9.012 15.991 -6.111 518 HA GLU 79 HA GLU 79 -8.972 18.395 -4.442 519 HB2 GLU 79 HB2 GLU 79 -10.746 17.445 -6.456 520 HB3 GLU 79 HB1 GLU 79 -11.636 17.501 -4.941 521 HG2 GLU 79 HG2 GLU 79 -10.273 19.744 -6.391 522 HG3 GLU 79 HG1 GLU 79 -11.968 19.591 -5.936 523 H ASP 80 HN ASP 80 -11.052 18.247 -2.855 524 HA ASP 80 HA ASP 80 -10.205 16.436 -0.833 525 HB2 ASP 80 HB2 ASP 80 -11.522 18.773 -0.762 526 HB3 ASP 80 HB1 ASP 80 -12.893 17.679 -0.628 527 H GLU 81 HN GLU 81 -11.044 14.591 -0.104 528 HA GLU 81 HA GLU 81 -12.147 12.645 -0.015 529 HB2 GLU 81 HB2 GLU 81 -14.316 14.386 -1.126 530 HB3 GLU 81 HB1 GLU 81 -14.571 12.664 -0.868 531 HG2 GLU 81 HG2 GLU 81 -13.924 12.986 1.506 532 HG3 GLU 81 HG1 GLU 81 -13.852 14.721 1.204 533 H ASP 82 HN ASP 82 -10.356 12.822 -2.060 534 HA ASP 82 HA ASP 82 -11.632 11.732 -4.435 535 HB2 ASP 82 HB2 ASP 82 -9.465 13.289 -4.259 536 HB3 ASP 82 HB1 ASP 82 -8.662 11.725 -4.152 537 H THR 83 HN THR 83 -10.638 9.644 -5.345 538 HA THR 83 HA THR 83 -10.281 7.759 -3.106 539 HB THR 83 HB THR 83 -11.712 7.176 -5.703 540 HG1 THR 83 HG1 THR 83 -12.987 8.527 -4.410 541 HG21 THR 83 HG21 THR 83 -12.379 5.095 -4.599 542 HG22 THR 83 HG22 THR 83 -11.441 5.540 -3.176 543 HG23 THR 83 HG23 THR 83 -10.621 5.213 -4.701 544 H ILE 84 HN ILE 84 -8.545 6.526 -3.133 545 HA ILE 84 HA ILE 84 -6.934 6.375 -5.599 546 HB ILE 84 HB ILE 84 -6.008 5.928 -2.756 547 HG12 ILE 84 HG12 ILE 84 -5.350 8.348 -4.404 548 HG13 ILE 84 HG11 ILE 84 -6.819 8.298 -3.434 549 HG21 ILE 84 HG21 ILE 84 -3.759 6.150 -3.712 550 HG22 ILE 84 HG22 ILE 84 -4.466 6.299 -5.320 551 HG23 ILE 84 HG23 ILE 84 -4.639 4.794 -4.415 552 HD11 ILE 84 HD11 ILE 84 -4.034 7.905 -2.366 553 HD12 ILE 84 HD12 ILE 84 -5.527 7.989 -1.427 554 HD13 ILE 84 HD13 ILE 84 -4.951 9.410 -2.301 555 H ASP 85 HN ASP 85 -6.385 4.387 -6.410 556 HA ASP 85 HA ASP 85 -7.632 2.065 -5.091 557 HB2 ASP 85 HB2 ASP 85 -7.929 2.922 -7.661 558 HB3 ASP 85 HB1 ASP 85 -6.618 1.762 -7.849 559 H VAL 86 HN VAL 86 -6.463 0.220 -4.652 560 HA VAL 86 HA VAL 86 -3.545 0.393 -5.060 561 HB VAL 86 HB VAL 86 -4.868 -0.986 -2.725 562 HG11 VAL 86 HG11 VAL 86 -2.607 -0.885 -1.760 563 HG12 VAL 86 HG12 VAL 86 -2.015 -0.167 -3.260 564 HG13 VAL 86 HG13 VAL 86 -2.657 -1.813 -3.263 565 HG21 VAL 86 HG21 VAL 86 -4.214 0.928 -1.351 566 HG22 VAL 86 HG22 VAL 86 -5.353 1.408 -2.611 567 HG23 VAL 86 HG23 VAL 86 -3.636 1.769 -2.791 568 H PHE 87 HN PHE 87 -2.884 -1.105 -6.439 569 HA PHE 87 HA PHE 87 -4.353 -3.651 -6.597 570 HB2 PHE 87 HB2 PHE 87 -2.594 -2.236 -8.608 571 HB3 PHE 87 HB1 PHE 87 -3.200 -3.873 -8.829 572 HD1 PHE 87 HD1 PHE 87 -5.593 -4.276 -9.138 573 HD2 PHE 87 HD2 PHE 87 -4.004 -0.337 -8.906 574 HE1 PHE 87 HE1 PHE 87 -7.666 -3.386 -10.116 575 HE2 PHE 87 HE2 PHE 87 -6.074 0.563 -9.885 576 HZ PHE 87 HZ PHE 87 -7.912 -0.962 -10.491 577 H GLN 88 HN GLN 88 -2.793 -5.460 -7.469 578 HA GLN 88 HA GLN 88 -0.351 -5.417 -5.825 579 HB2 GLN 88 HB2 GLN 88 -2.402 -7.579 -6.226 580 HB3 GLN 88 HB1 GLN 88 -0.745 -7.998 -5.814 581 HG2 GLN 88 HG2 GLN 88 -0.938 -6.580 -3.794 582 HG3 GLN 88 HG1 GLN 88 -2.635 -6.307 -4.194 583 HE21 GLN 88 HE21 GLN 88 -3.302 -7.273 -2.272 584 HE22 GLN 88 HE22 GLN 88 -3.246 -8.982 -2.035 585 H GLN 89 HN GLN 89 1.473 -6.438 -6.680 586 HA GLN 89 HA GLN 89 1.504 -6.572 -9.582 587 HB2 GLN 89 HB2 GLN 89 3.279 -5.416 -8.153 588 HB3 GLN 89 HB1 GLN 89 3.834 -7.028 -7.718 589 HG2 GLN 89 HG2 GLN 89 5.203 -6.218 -9.493 590 HG3 GLN 89 HG1 GLN 89 4.173 -7.498 -10.132 591 HE21 GLN 89 HE21 GLN 89 4.460 -6.716 -12.238 592 HE22 GLN 89 HE22 GLN 89 3.649 -5.295 -12.797 593 H GLN 90 HN GLN 90 1.356 -8.405 -10.683 594 HA GLN 90 HA GLN 90 0.977 -10.897 -9.400 595 HB2 GLN 90 HB2 GLN 90 1.433 -10.212 -12.308 596 HB3 GLN 90 HB1 GLN 90 1.024 -11.822 -11.733 597 HG2 GLN 90 HG2 GLN 90 -1.011 -10.946 -12.427 598 HG3 GLN 90 HG1 GLN 90 -1.032 -10.716 -10.681 599 HE21 GLN 90 HE21 GLN 90 -2.393 -9.005 -10.623 600 HE22 GLN 90 HE22 GLN 90 -2.013 -7.451 -11.276 601 H THR 91 HN THR 91 2.422 -12.275 -8.671 602 HA THR 91 HA THR 91 5.202 -11.896 -8.906 603 HB THR 91 HB THR 91 4.725 -14.584 -8.191 604 HG1 THR 91 HG1 THR 91 3.020 -14.378 -6.710 605 HG21 THR 91 HG21 THR 91 5.054 -12.142 -6.438 606 HG22 THR 91 HG22 THR 91 6.366 -13.069 -7.163 607 HG23 THR 91 HG23 THR 91 5.329 -13.815 -5.948 608 H GLY 92 HN GLY 92 2.895 -13.930 -10.600 609 HA2 GLY 92 HA2 GLY 92 4.340 -14.152 -12.958 610 HA3 GLY 92 HA1 GLY 92 4.767 -15.547 -11.975 611 H ASN 357 HT1 ASN 357 -18.951 -4.212 6.099 612 HA ASN 357 HA ASN 357 -18.529 -1.347 5.494 613 HB2 ASN 357 HB2 ASN 357 -20.759 -1.852 6.480 614 HB3 ASN 357 HB1 ASN 357 -19.956 -2.630 7.838 615 HD21 ASN 357 HD21 ASN 357 -20.483 -1.296 9.473 616 HD22 ASN 357 HD22 ASN 357 -20.090 0.388 9.537 617 H ASN 358 HN ASN 358 -16.238 -2.070 5.456 618 HA ASN 358 HA ASN 358 -15.196 -2.289 8.207 619 HB2 ASN 358 HB2 ASN 358 -14.681 -4.309 6.910 620 HB3 ASN 358 HB1 ASN 358 -13.970 -3.324 5.633 621 HD21 ASN 358 HD21 ASN 358 -11.954 -4.228 5.769 622 HD22 ASN 358 HD22 ASN 358 -10.897 -3.994 7.122 623 H ARG 359 HN ARG 359 -14.035 -0.599 8.853 624 HA ARG 359 HA ARG 359 -12.996 1.202 6.784 625 HB2 ARG 359 HB2 ARG 359 -13.486 3.105 8.220 626 HB3 ARG 359 HB1 ARG 359 -14.945 2.200 7.851 627 HG2 ARG 359 HG2 ARG 359 -14.926 1.190 10.037 628 HG3 ARG 359 HG1 ARG 359 -13.386 1.965 10.412 629 HD2 ARG 359 HD2 ARG 359 -14.428 4.156 10.222 630 HD3 ARG 359 HD1 ARG 359 -15.965 3.399 9.805 631 HE ARG 359 HE ARG 359 -14.682 2.823 12.380 632 HH11 ARG 359 HH11 ARG 359 -18.441 4.258 11.956 633 HH12 ARG 359 HH12 ARG 359 -17.327 4.227 10.536 634 HH21 ARG 359 HH21 ARG 359 -16.024 2.916 14.204 635 HH22 ARG 359 HH22 ARG 359 -17.702 3.554 14.017 636 H ASP 360 HN ASP 360 -10.974 1.813 6.932 637 HA ASP 360 HA ASP 360 -9.472 1.042 9.342 638 HB2 ASP 360 HB2 ASP 360 -9.092 -0.123 6.963 639 HB3 ASP 360 HB1 ASP 360 -8.070 1.287 6.716 640 HA PRO 361 HA PRO 361 -8.489 5.378 9.013 641 HB2 PRO 361 HB2 PRO 361 -7.903 5.756 11.597 642 HB3 PRO 361 HB1 PRO 361 -9.545 5.354 11.081 643 HG2 PRO 361 HG2 PRO 361 -7.633 3.703 12.559 644 HG3 PRO 361 HG1 PRO 361 -9.381 3.492 12.365 645 HD2 PRO 361 HD2 PRO 361 -7.204 2.217 10.871 646 HD3 PRO 361 HD1 PRO 361 -8.937 1.811 10.908 647 H ILE 362 HN ILE 362 -6.754 6.350 8.324 648 HA ILE 362 HA ILE 362 -4.126 5.521 9.348 649 HB ILE 362 HB ILE 362 -4.734 6.662 6.625 650 HG12 ILE 362 HG12 ILE 362 -5.514 4.295 7.019 651 HG13 ILE 362 HG11 ILE 362 -4.352 4.495 5.714 652 HG21 ILE 362 HG21 ILE 362 -2.402 6.203 6.125 653 HG22 ILE 362 HG22 ILE 362 -2.160 5.576 7.754 654 HG23 ILE 362 HG23 ILE 362 -2.536 7.280 7.517 655 HD11 ILE 362 HD11 ILE 362 -2.572 3.772 7.273 656 HD12 ILE 362 HD12 ILE 362 -3.794 2.542 6.945 657 HD13 ILE 362 HD13 ILE 362 -3.822 3.428 8.469 658 H VAL 363 HN VAL 363 -2.867 7.018 10.134 659 HA VAL 363 HA VAL 363 -3.716 9.831 9.906 660 HB VAL 363 HB VAL 363 -2.303 8.516 12.258 661 HG11 VAL 363 HG11 VAL 363 -2.612 10.693 13.367 662 HG12 VAL 363 HG12 VAL 363 -3.266 11.353 11.868 663 HG13 VAL 363 HG13 VAL 363 -1.585 10.822 11.937 664 HG21 VAL 363 HG21 VAL 363 -5.127 9.528 11.961 665 HG22 VAL 363 HG22 VAL 363 -4.386 9.073 13.493 666 HG23 VAL 363 HG23 VAL 363 -4.621 7.862 12.233 667 H ILE 364 HN ILE 364 -2.250 11.183 9.239 668 HA ILE 364 HA ILE 364 0.368 10.078 8.534 669 HB ILE 364 HB ILE 364 -1.531 11.157 6.802 670 HG12 ILE 364 HG12 ILE 364 0.428 11.134 5.165 671 HG13 ILE 364 HG11 ILE 364 1.435 10.678 6.534 672 HG21 ILE 364 HG21 ILE 364 -1.005 13.425 7.554 673 HG22 ILE 364 HG22 ILE 364 -0.522 13.169 5.882 674 HG23 ILE 364 HG23 ILE 364 0.694 13.166 7.155 675 HD11 ILE 364 HD11 ILE 364 -0.076 8.723 6.877 676 HD12 ILE 364 HD12 ILE 364 0.850 8.696 5.377 677 HD13 ILE 364 HD13 ILE 364 -0.859 9.140 5.354 678 H SEP 365 HN SEP 365 2.157 11.245 8.994 679 HA SEP 365 HA SEP 365 1.700 13.518 10.786 680 HB2 SEP 365 HB1 SEP 365 3.389 12.657 12.053 681 HB3 SEP 365 HB2 SEP 365 4.411 12.402 10.634 682 H ASP 366 HN ASP 366 2.298 15.427 10.133 683 HA ASP 366 HA ASP 366 3.840 15.637 7.646 684 HB2 ASP 366 HB2 ASP 366 1.391 16.290 7.523 685 HB3 ASP 366 HB1 ASP 366 1.741 17.585 8.654 686 H SEP 367 HN SEP 367 5.679 16.653 7.832 687 HA SEP 367 HA SEP 367 6.545 17.745 10.296 688 HB2 SEP 367 HB1 SEP 367 8.613 18.264 8.986 689 HB3 SEP 367 HB2 SEP 367 7.770 17.743 7.529 690 HA PRO 368 HA PRO 368 4.608 21.708 9.466 691 HB2 PRO 368 HB2 PRO 368 5.413 22.886 11.797 692 HB3 PRO 368 HB1 PRO 368 3.988 21.848 11.658 693 HG2 PRO 368 HG2 PRO 368 6.699 21.189 12.695 694 HG3 PRO 368 HG1 PRO 368 5.107 20.654 13.269 695 HD2 PRO 368 HD2 PRO 368 6.728 19.086 11.769 696 HD3 PRO 368 HD1 PRO 368 4.957 18.980 11.708 Start of MODEL 8 1 H ASP 16 HT1 ASP 16 -4.270 23.202 5.097 2 HA ASP 16 HA ASP 16 -6.416 22.739 7.049 3 HB2 ASP 16 HB2 ASP 16 -6.978 24.204 4.889 4 HB3 ASP 16 HB1 ASP 16 -6.986 22.621 4.118 5 H HIS 17 HN HIS 17 -7.519 20.616 6.293 6 HA HIS 17 HA HIS 17 -5.397 18.755 5.437 7 HB2 HIS 17 HB2 HIS 17 -7.389 18.596 7.654 8 HB3 HIS 17 HB1 HIS 17 -6.962 17.104 6.823 9 HD2 HIS 17 HD2 HIS 17 -4.573 16.015 7.488 10 HE1 HIS 17 HE1 HIS 17 -3.313 19.142 10.040 11 HE2 HIS 17 HE2 HIS 17 -2.960 16.716 9.393 12 H ILE 18 HN ILE 18 -6.038 16.922 4.223 13 HA ILE 18 HA ILE 18 -8.641 17.246 2.883 14 HB ILE 18 HB ILE 18 -6.578 17.777 1.493 15 HG12 ILE 18 HG12 ILE 18 -8.217 15.491 0.406 16 HG13 ILE 18 HG11 ILE 18 -8.848 17.125 0.593 17 HG21 ILE 18 HG21 ILE 18 -5.370 15.845 0.529 18 HG22 ILE 18 HG22 ILE 18 -6.172 14.799 1.703 19 HG23 ILE 18 HG23 ILE 18 -5.074 16.066 2.253 20 HD11 ILE 18 HD11 ILE 18 -6.508 16.315 -1.115 21 HD12 ILE 18 HD12 ILE 18 -7.109 17.960 -0.908 22 HD13 ILE 18 HD13 ILE 18 -8.124 16.740 -1.680 23 H ASN 19 HN ASN 19 -9.865 15.392 2.548 24 HA ASN 19 HA ASN 19 -8.901 13.021 4.012 25 HB2 ASN 19 HB2 ASN 19 -11.643 14.139 3.513 26 HB3 ASN 19 HB1 ASN 19 -11.443 12.425 3.866 27 HD21 ASN 19 HD21 ASN 19 -11.333 15.639 5.120 28 HD22 ASN 19 HD22 ASN 19 -11.135 15.205 6.780 29 H LEU 20 HN LEU 20 -7.864 11.807 2.529 30 HA LEU 20 HA LEU 20 -9.113 11.368 -0.078 31 HB2 LEU 20 HB2 LEU 20 -6.457 10.405 0.995 32 HB3 LEU 20 HB1 LEU 20 -7.024 10.213 -0.653 33 HG LEU 20 HG LEU 20 -6.434 12.852 0.693 34 HD11 LEU 20 HD11 LEU 20 -4.909 11.353 -1.430 35 HD12 LEU 20 HD12 LEU 20 -4.418 11.558 0.252 36 HD13 LEU 20 HD13 LEU 20 -4.520 12.961 -0.811 37 HD21 LEU 20 HD21 LEU 20 -6.667 13.754 -1.617 38 HD22 LEU 20 HD22 LEU 20 -8.175 13.161 -0.921 39 HD23 LEU 20 HD23 LEU 20 -7.314 12.189 -2.115 40 H LYS 21 HN LYS 21 -9.871 9.394 -0.766 41 HA LYS 21 HA LYS 21 -10.197 7.385 1.359 42 HB2 LYS 21 HB2 LYS 21 -11.905 7.898 -1.082 43 HB3 LYS 21 HB1 LYS 21 -12.198 6.646 0.119 44 HG2 LYS 21 HG2 LYS 21 -12.591 8.316 1.814 45 HG3 LYS 21 HG1 LYS 21 -12.175 9.606 0.686 46 HD2 LYS 21 HD2 LYS 21 -14.079 8.915 -0.737 47 HD3 LYS 21 HD1 LYS 21 -14.512 7.713 0.481 48 HE2 LYS 21 HE2 LYS 21 -14.785 9.513 2.135 49 HE3 LYS 21 HE1 LYS 21 -14.395 10.696 0.890 50 HZ1 LYS 21 HZ1 LYS 21 -16.698 10.686 0.960 51 HZ2 LYS 21 HZ2 LYS 21 -16.799 8.998 1.120 52 HZ3 LYS 21 HZ3 LYS 21 -16.353 9.679 -0.359 53 H VAL 22 HN VAL 22 -8.916 5.704 1.145 54 HA VAL 22 HA VAL 22 -7.991 4.917 -1.518 55 HB VAL 22 HB VAL 22 -7.079 4.101 1.247 56 HG11 VAL 22 HG11 VAL 22 -6.907 2.160 -0.188 57 HG12 VAL 22 HG12 VAL 22 -5.302 2.815 0.130 58 HG13 VAL 22 HG13 VAL 22 -6.084 3.115 -1.420 59 HG21 VAL 22 HG21 VAL 22 -6.424 6.351 0.341 60 HG22 VAL 22 HG22 VAL 22 -5.546 5.501 -0.932 61 HG23 VAL 22 HG23 VAL 22 -5.079 5.287 0.754 62 H ALA 23 HN ALA 23 -8.828 3.204 -2.539 63 HA ALA 23 HA ALA 23 -10.838 1.619 -1.124 64 HB1 ALA 23 HB1 ALA 23 -11.582 0.922 -3.334 65 HB2 ALA 23 HB2 ALA 23 -10.224 1.773 -4.072 66 HB3 ALA 23 HB3 ALA 23 -11.482 2.681 -3.232 67 H GLY 24 HN GLY 24 -10.201 -0.204 -0.214 68 HA2 GLY 24 HA2 GLY 24 -7.810 -1.576 -1.065 69 HA3 GLY 24 HA1 GLY 24 -8.882 -2.057 0.242 70 H GLN 25 HN GLN 25 -7.752 -3.843 -1.614 71 HA GLN 25 HA GLN 25 -9.551 -4.464 -3.720 72 HB2 GLN 25 HB2 GLN 25 -7.307 -5.944 -2.387 73 HB3 GLN 25 HB1 GLN 25 -8.316 -6.732 -3.592 74 HG2 GLN 25 HG2 GLN 25 -6.798 -4.178 -4.066 75 HG3 GLN 25 HG1 GLN 25 -6.202 -5.785 -4.476 76 HE21 GLN 25 HE21 GLN 25 -6.959 -3.367 -6.085 77 HE22 GLN 25 HE22 GLN 25 -8.041 -3.979 -7.292 78 H ASP 26 HN ASP 26 -9.799 -4.891 -0.391 79 HA ASP 26 HA ASP 26 -11.621 -7.178 -0.658 80 HB2 ASP 26 HB2 ASP 26 -11.416 -7.444 1.739 81 HB3 ASP 26 HB1 ASP 26 -9.804 -7.301 1.048 82 H GLY 27 HN GLY 27 -11.715 -3.884 -0.686 83 HA2 GLY 27 HA2 GLY 27 -13.744 -2.682 -0.924 84 HA3 GLY 27 HA1 GLY 27 -14.553 -3.900 0.046 85 H SER 28 HN SER 28 -11.625 -2.989 1.464 86 HA SER 28 HA SER 28 -12.993 -1.665 3.606 87 HB2 SER 28 HB2 SER 28 -10.620 -1.340 4.481 88 HB3 SER 28 HB1 SER 28 -11.134 -3.010 4.238 89 HG SER 28 HG SER 28 -9.887 -3.159 2.443 90 H VAL 29 HN VAL 29 -13.128 0.463 4.062 91 HA VAL 29 HA VAL 29 -12.052 2.299 2.051 92 HB VAL 29 HB VAL 29 -14.440 2.550 2.361 93 HG11 VAL 29 HG11 VAL 29 -13.873 3.087 5.271 94 HG12 VAL 29 HG12 VAL 29 -14.646 1.644 4.618 95 HG13 VAL 29 HG13 VAL 29 -15.443 3.211 4.477 96 HG21 VAL 29 HG21 VAL 29 -14.547 4.933 2.978 97 HG22 VAL 29 HG22 VAL 29 -13.203 4.574 1.896 98 HG23 VAL 29 HG23 VAL 29 -12.908 4.824 3.617 99 H VAL 30 HN VAL 30 -10.165 3.134 2.528 100 HA VAL 30 HA VAL 30 -9.428 3.515 5.339 101 HB VAL 30 HB VAL 30 -7.529 4.020 3.088 102 HG11 VAL 30 HG11 VAL 30 -5.923 3.103 4.729 103 HG12 VAL 30 HG12 VAL 30 -7.250 2.913 5.876 104 HG13 VAL 30 HG13 VAL 30 -6.789 4.522 5.319 105 HG21 VAL 30 HG21 VAL 30 -6.901 1.668 3.009 106 HG22 VAL 30 HG22 VAL 30 -8.585 1.882 2.523 107 HG23 VAL 30 HG23 VAL 30 -8.202 1.273 4.133 108 H GLN 31 HN GLN 31 -9.840 5.441 6.177 109 HA GLN 31 HA GLN 31 -10.098 7.772 4.455 110 HB2 GLN 31 HB2 GLN 31 -11.667 7.202 6.402 111 HB3 GLN 31 HB1 GLN 31 -10.369 7.741 7.457 112 HG2 GLN 31 HG2 GLN 31 -10.447 9.951 6.513 113 HG3 GLN 31 HG1 GLN 31 -11.621 9.434 5.302 114 HE21 GLN 31 HE21 GLN 31 -11.821 11.554 7.260 115 HE22 GLN 31 HE22 GLN 31 -13.211 11.190 8.228 116 H PHE 32 HN PHE 32 -8.226 8.587 3.828 117 HA PHE 32 HA PHE 32 -5.965 8.701 5.659 118 HB2 PHE 32 HB2 PHE 32 -6.351 8.946 2.725 119 HB3 PHE 32 HB1 PHE 32 -5.020 9.856 3.426 120 HD1 PHE 32 HD1 PHE 32 -6.458 6.431 3.272 121 HD2 PHE 32 HD2 PHE 32 -2.987 8.834 3.795 122 HE1 PHE 32 HE1 PHE 32 -5.056 4.410 3.208 123 HE2 PHE 32 HE2 PHE 32 -1.577 6.818 3.733 124 HZ PHE 32 HZ PHE 32 -2.611 4.601 3.440 125 H LYS 33 HN LYS 33 -6.078 10.368 7.059 126 HA LYS 33 HA LYS 33 -6.976 12.981 6.106 127 HB2 LYS 33 HB2 LYS 33 -7.810 12.101 8.299 128 HB3 LYS 33 HB1 LYS 33 -6.159 12.169 8.904 129 HG2 LYS 33 HG2 LYS 33 -6.160 14.437 9.071 130 HG3 LYS 33 HG1 LYS 33 -7.290 14.646 7.732 131 HD2 LYS 33 HD2 LYS 33 -9.080 13.719 9.222 132 HD3 LYS 33 HD1 LYS 33 -7.920 13.781 10.551 133 HE2 LYS 33 HE2 LYS 33 -7.703 16.179 10.290 134 HE3 LYS 33 HE1 LYS 33 -8.757 16.147 8.878 135 HZ1 LYS 33 HZ1 LYS 33 -9.969 16.865 10.812 136 HZ2 LYS 33 HZ2 LYS 33 -9.535 15.467 11.659 137 HZ3 LYS 33 HZ3 LYS 33 -10.551 15.357 10.315 138 H ILE 34 HN ILE 34 -5.331 13.668 4.826 139 HA ILE 34 HA ILE 34 -2.796 14.208 6.197 140 HB ILE 34 HB ILE 34 -1.539 12.986 4.824 141 HG12 ILE 34 HG12 ILE 34 -3.116 14.149 2.538 142 HG13 ILE 34 HG11 ILE 34 -1.470 14.520 3.044 143 HG21 ILE 34 HG21 ILE 34 -2.593 11.152 3.577 144 HG22 ILE 34 HG22 ILE 34 -4.158 11.940 3.769 145 HG23 ILE 34 HG23 ILE 34 -3.284 11.360 5.186 146 HD11 ILE 34 HD11 ILE 34 -0.768 12.279 2.345 147 HD12 ILE 34 HD12 ILE 34 -1.436 13.232 1.019 148 HD13 ILE 34 HD13 ILE 34 -2.406 11.965 1.772 149 H LYS 35 HN LYS 35 -1.424 15.827 4.713 150 HA LYS 35 HA LYS 35 -3.266 17.994 4.029 151 HB2 LYS 35 HB2 LYS 35 -0.300 17.935 4.564 152 HB3 LYS 35 HB1 LYS 35 -1.112 19.356 3.927 153 HG2 LYS 35 HG2 LYS 35 -2.576 19.364 5.926 154 HG3 LYS 35 HG1 LYS 35 -1.630 18.023 6.577 155 HD2 LYS 35 HD2 LYS 35 0.393 19.437 6.460 156 HD3 LYS 35 HD1 LYS 35 -0.605 20.780 5.896 157 HE2 LYS 35 HE2 LYS 35 -1.875 20.727 7.976 158 HE3 LYS 35 HE1 LYS 35 -0.922 19.353 8.537 159 HZ1 LYS 35 HZ1 LYS 35 -0.263 21.647 9.363 160 HZ2 LYS 35 HZ2 LYS 35 0.347 21.922 7.811 161 HZ3 LYS 35 HZ3 LYS 35 0.984 20.667 8.753 162 H ARG 36 HN ARG 36 -2.346 19.458 2.152 163 HA ARG 36 HA ARG 36 -2.406 17.750 -0.169 164 HB2 ARG 36 HB2 ARG 36 -2.180 20.757 -0.033 165 HB3 ARG 36 HB1 ARG 36 -2.564 19.803 -1.460 166 HG2 ARG 36 HG2 ARG 36 -4.609 18.997 -0.284 167 HG3 ARG 36 HG1 ARG 36 -4.248 20.137 1.013 168 HD2 ARG 36 HD2 ARG 36 -5.519 21.555 -0.172 169 HD3 ARG 36 HD1 ARG 36 -4.085 21.739 -1.178 170 HE ARG 36 HE ARG 36 -5.046 20.084 -2.688 171 HH11 ARG 36 HH11 ARG 36 -7.194 21.565 -0.319 172 HH12 ARG 36 HH12 ARG 36 -8.677 21.222 -1.285 173 HH21 ARG 36 HH21 ARG 36 -6.909 19.617 -3.934 174 HH22 ARG 36 HH22 ARG 36 -8.521 20.185 -3.332 175 H HIS 37 HN HIS 37 0.057 19.203 1.696 176 HA HIS 37 HA HIS 37 1.932 19.150 -0.537 177 HB2 HIS 37 HB2 HIS 37 3.373 20.470 0.720 178 HB3 HIS 37 HB1 HIS 37 1.793 21.028 1.250 179 HD2 HIS 37 HD2 HIS 37 1.014 19.957 3.837 180 HE1 HIS 37 HE1 HIS 37 5.044 19.319 4.942 181 HE2 HIS 37 HE2 HIS 37 2.650 19.318 5.760 182 H THR 38 HN THR 38 0.836 17.101 1.884 183 HA THR 38 HA THR 38 3.221 15.731 2.561 184 HB THR 38 HB THR 38 0.488 14.470 2.546 185 HG1 THR 38 HG1 THR 38 1.536 16.408 4.360 186 HG21 THR 38 HG21 THR 38 2.549 13.170 3.204 187 HG22 THR 38 HG22 THR 38 1.284 13.247 4.431 188 HG23 THR 38 HG23 THR 38 2.712 14.273 4.574 189 HA PRO 39 HA PRO 39 3.892 13.824 -1.458 190 HB2 PRO 39 HB2 PRO 39 5.619 12.072 0.214 191 HB3 PRO 39 HB1 PRO 39 6.009 12.964 -1.265 192 HG2 PRO 39 HG2 PRO 39 6.888 13.821 1.078 193 HG3 PRO 39 HG1 PRO 39 6.326 14.961 -0.160 194 HD2 PRO 39 HD2 PRO 39 4.954 14.049 2.325 195 HD3 PRO 39 HD1 PRO 39 4.961 15.650 1.554 196 H LEU 40 HN LEU 40 2.948 12.158 -2.476 197 HA LEU 40 HA LEU 40 1.139 10.492 -1.069 198 HB2 LEU 40 HB2 LEU 40 2.108 10.489 -3.917 199 HB3 LEU 40 HB1 LEU 40 0.931 9.331 -3.324 200 HG LEU 40 HG LEU 40 0.568 12.334 -3.323 201 HD11 LEU 40 HD11 LEU 40 -0.950 12.032 -5.129 202 HD12 LEU 40 HD12 LEU 40 -0.792 10.279 -5.043 203 HD13 LEU 40 HD13 LEU 40 0.571 11.260 -5.572 204 HD21 LEU 40 HD21 LEU 40 -1.304 10.086 -2.586 205 HD22 LEU 40 HD22 LEU 40 -1.777 11.773 -2.785 206 HD23 LEU 40 HD23 LEU 40 -0.653 11.321 -1.505 207 H SER 41 HN SER 41 4.464 10.222 -1.689 208 HA SER 41 HA SER 41 4.754 7.421 -1.796 209 HB2 SER 41 HB2 SER 41 6.998 8.455 -0.463 210 HB3 SER 41 HB1 SER 41 6.840 8.168 -2.195 211 HG SER 41 HG SER 41 7.012 10.244 -2.392 212 H LYS 42 HN LYS 42 4.551 9.743 0.838 213 HA LYS 42 HA LYS 42 5.046 7.926 2.962 214 HB2 LYS 42 HB2 LYS 42 5.225 10.398 3.174 215 HB3 LYS 42 HB1 LYS 42 3.481 10.522 2.979 216 HG2 LYS 42 HG2 LYS 42 3.160 9.251 5.046 217 HG3 LYS 42 HG1 LYS 42 4.909 9.130 5.239 218 HD2 LYS 42 HD2 LYS 42 3.983 11.869 4.836 219 HD3 LYS 42 HD1 LYS 42 3.307 11.115 6.278 220 HE2 LYS 42 HE2 LYS 42 5.885 10.371 6.531 221 HE3 LYS 42 HE1 LYS 42 6.095 11.880 5.647 222 HZ1 LYS 42 HZ1 LYS 42 5.178 11.428 8.378 223 HZ2 LYS 42 HZ2 LYS 42 4.392 12.667 7.525 224 HZ3 LYS 42 HZ3 LYS 42 6.072 12.722 7.732 225 H LEU 43 HN LEU 43 2.206 8.990 1.219 226 HA LEU 43 HA LEU 43 0.217 7.838 2.837 227 HB2 LEU 43 HB2 LEU 43 -0.208 9.523 1.087 228 HB3 LEU 43 HB1 LEU 43 0.216 8.352 -0.144 229 HG LEU 43 HG LEU 43 -1.976 7.573 1.686 230 HD11 LEU 43 HD11 LEU 43 -2.517 9.909 1.362 231 HD12 LEU 43 HD12 LEU 43 -3.618 8.906 0.420 232 HD13 LEU 43 HD13 LEU 43 -2.292 9.749 -0.380 233 HD21 LEU 43 HD21 LEU 43 -1.609 7.443 -1.308 234 HD22 LEU 43 HD22 LEU 43 -2.922 6.705 -0.393 235 HD23 LEU 43 HD23 LEU 43 -1.267 6.145 -0.165 236 H MET 44 HN MET 44 1.976 6.610 0.016 237 HA MET 44 HA MET 44 0.648 4.130 -0.164 238 HB2 MET 44 HB2 MET 44 3.432 4.944 -1.028 239 HB3 MET 44 HB1 MET 44 2.682 3.411 -1.453 240 HG2 MET 44 HG2 MET 44 0.823 4.759 -2.500 241 HG3 MET 44 HG1 MET 44 1.856 6.171 -2.287 242 HE1 MET 44 HE1 MET 44 4.055 6.641 -3.682 243 HE2 MET 44 HE2 MET 44 4.894 5.378 -4.585 244 HE3 MET 44 HE3 MET 44 4.716 5.240 -2.836 245 H LYS 45 HN LYS 45 3.610 5.109 1.528 246 HA LYS 45 HA LYS 45 4.275 2.537 2.488 247 HB2 LYS 45 HB2 LYS 45 4.974 5.283 3.517 248 HB3 LYS 45 HB1 LYS 45 5.645 3.798 4.181 249 HG2 LYS 45 HG2 LYS 45 6.452 3.288 1.825 250 HG3 LYS 45 HG1 LYS 45 6.042 4.964 1.445 251 HD2 LYS 45 HD2 LYS 45 7.971 4.056 3.585 252 HD3 LYS 45 HD1 LYS 45 8.407 4.731 2.017 253 HE2 LYS 45 HE2 LYS 45 7.514 6.850 2.570 254 HE3 LYS 45 HE1 LYS 45 6.702 6.217 4.000 255 HZ1 LYS 45 HZ1 LYS 45 8.897 5.789 4.971 256 HZ2 LYS 45 HZ2 LYS 45 8.669 7.429 4.628 257 HZ3 LYS 45 HZ3 LYS 45 9.633 6.480 3.614 258 H ALA 46 HN ALA 46 2.229 5.105 3.780 259 HA ALA 46 HA ALA 46 1.872 4.112 6.368 260 HB1 ALA 46 HB1 ALA 46 1.138 6.343 5.628 261 HB2 ALA 46 HB2 ALA 46 -0.145 5.455 6.453 262 HB3 ALA 46 HB3 ALA 46 -0.155 5.590 4.694 263 H TYR 47 HN TYR 47 0.076 3.429 3.389 264 HA TYR 47 HA TYR 47 -1.757 1.627 4.614 265 HB2 TYR 47 HB2 TYR 47 -2.201 2.806 2.466 266 HB3 TYR 47 HB1 TYR 47 -0.958 1.826 1.698 267 HD1 TYR 47 HD1 TYR 47 -1.596 -0.116 0.607 268 HD2 TYR 47 HD2 TYR 47 -4.116 1.443 3.662 269 HE1 TYR 47 HE1 TYR 47 -3.272 -1.846 0.103 270 HE2 TYR 47 HE2 TYR 47 -5.797 -0.283 3.165 271 HH TYR 47 HH TYR 47 -6.449 -1.813 1.572 272 H CYS 48 HN CYS 48 1.360 1.322 3.057 273 HA CYS 48 HA CYS 48 1.479 -1.459 2.739 274 HB2 CYS 48 HB2 CYS 48 3.093 0.031 1.693 275 HB3 CYS 48 HB1 CYS 48 3.684 0.548 3.266 276 HG CYS 48 HG CYS 48 4.887 -1.839 3.920 277 H GLU 49 HN GLU 49 2.559 0.604 5.422 278 HA GLU 49 HA GLU 49 3.497 -1.440 7.106 279 HB2 GLU 49 HB2 GLU 49 2.359 1.284 7.760 280 HB3 GLU 49 HB1 GLU 49 3.172 0.249 8.925 281 HG2 GLU 49 HG2 GLU 49 4.580 0.978 6.405 282 HG3 GLU 49 HG1 GLU 49 4.453 2.164 7.703 283 H ARG 50 HN ARG 50 0.367 0.125 6.807 284 HA ARG 50 HA ARG 50 -0.972 -1.033 8.954 285 HB2 ARG 50 HB2 ARG 50 -1.724 0.864 7.490 286 HB3 ARG 50 HB1 ARG 50 -2.159 -0.328 6.278 287 HG2 ARG 50 HG2 ARG 50 -4.032 -0.948 7.361 288 HG3 ARG 50 HG1 ARG 50 -3.309 -0.748 8.963 289 HD2 ARG 50 HD2 ARG 50 -4.022 1.548 7.173 290 HD3 ARG 50 HD1 ARG 50 -5.113 0.884 8.388 291 HE ARG 50 HE ARG 50 -2.472 2.037 9.021 292 HH11 ARG 50 HH11 ARG 50 -5.896 1.573 9.671 293 HH12 ARG 50 HH12 ARG 50 -5.810 2.432 11.263 294 HH21 ARG 50 HH21 ARG 50 -3.822 3.311 12.002 295 HH22 ARG 50 HH22 ARG 50 -2.334 3.143 10.995 296 H GLN 51 HN GLN 51 -0.620 -2.172 5.621 297 HA GLN 51 HA GLN 51 -2.229 -4.514 6.081 298 HB2 GLN 51 HB2 GLN 51 -0.664 -3.411 3.791 299 HB3 GLN 51 HB1 GLN 51 -1.109 -5.113 3.766 300 HG2 GLN 51 HG2 GLN 51 -3.186 -3.052 4.332 301 HG3 GLN 51 HG1 GLN 51 -2.658 -3.337 2.674 302 HE21 GLN 51 HE21 GLN 51 -3.319 -5.141 1.622 303 HE22 GLN 51 HE22 GLN 51 -4.404 -6.310 2.289 304 H GLY 52 HN GLY 52 1.136 -3.695 6.269 305 HA2 GLY 52 HA2 GLY 52 2.848 -4.907 7.262 306 HA3 GLY 52 HA1 GLY 52 1.731 -6.250 7.474 307 H LEU 53 HN LEU 53 2.496 -4.573 4.484 308 HA LEU 53 HA LEU 53 3.722 -7.054 3.467 309 HB2 LEU 53 HB2 LEU 53 1.937 -5.110 1.991 310 HB3 LEU 53 HB1 LEU 53 2.772 -6.461 1.250 311 HG LEU 53 HG LEU 53 0.706 -6.765 3.427 312 HD11 LEU 53 HD11 LEU 53 -0.808 -7.485 1.636 313 HD12 LEU 53 HD12 LEU 53 0.404 -7.026 0.440 314 HD13 LEU 53 HD13 LEU 53 -0.331 -5.793 1.463 315 HD21 LEU 53 HD21 LEU 53 2.278 -8.615 3.277 316 HD22 LEU 53 HD22 LEU 53 1.979 -8.748 1.546 317 HD23 LEU 53 HD23 LEU 53 0.689 -9.104 2.694 318 H SER 54 HN SER 54 4.091 -5.474 0.880 319 HA SER 54 HA SER 54 6.203 -3.633 1.742 320 HB2 SER 54 HB2 SER 54 7.293 -5.780 1.252 321 HB3 SER 54 HB1 SER 54 6.530 -5.811 -0.340 322 HG SER 54 HG SER 54 8.837 -4.863 0.131 323 H MET 55 HN MET 55 6.549 -1.903 0.359 324 HA MET 55 HA MET 55 4.368 -1.168 -1.315 325 HB2 MET 55 HB2 MET 55 5.921 0.377 0.015 326 HB3 MET 55 HB1 MET 55 7.074 0.161 -1.294 327 HG2 MET 55 HG2 MET 55 5.501 1.109 -2.875 328 HG3 MET 55 HG1 MET 55 4.291 1.263 -1.602 329 HE1 MET 55 HE1 MET 55 7.658 2.524 -3.062 330 HE2 MET 55 HE2 MET 55 8.200 2.026 -1.458 331 HE3 MET 55 HE3 MET 55 8.174 3.735 -1.890 332 H ARG 56 HN ARG 56 7.146 -3.022 -1.819 333 HA ARG 56 HA ARG 56 7.399 -2.494 -4.649 334 HB2 ARG 56 HB2 ARG 56 9.311 -3.146 -3.120 335 HB3 ARG 56 HB1 ARG 56 8.611 -4.756 -3.051 336 HG2 ARG 56 HG2 ARG 56 9.068 -5.179 -5.303 337 HG3 ARG 56 HG1 ARG 56 9.322 -3.469 -5.660 338 HD2 ARG 56 HD2 ARG 56 11.309 -3.552 -4.125 339 HD3 ARG 56 HD1 ARG 56 11.097 -5.300 -4.060 340 HE ARG 56 HE ARG 56 12.073 -5.454 -6.109 341 HH11 ARG 56 HH11 ARG 56 11.685 -1.561 -7.182 342 HH12 ARG 56 HH12 ARG 56 10.928 -2.152 -5.657 343 HH21 ARG 56 HH21 ARG 56 12.880 -3.005 -8.513 344 HH22 ARG 56 HH22 ARG 56 13.078 -4.730 -8.034 345 H GLN 57 HN GLN 57 5.346 -4.260 -2.704 346 HA GLN 57 HA GLN 57 4.831 -6.334 -4.710 347 HB2 GLN 57 HB2 GLN 57 5.160 -7.069 -2.404 348 HB3 GLN 57 HB1 GLN 57 3.858 -6.022 -1.868 349 HG2 GLN 57 HG2 GLN 57 2.360 -7.375 -3.422 350 HG3 GLN 57 HG1 GLN 57 3.690 -8.532 -3.491 351 HE21 GLN 57 HE21 GLN 57 1.021 -8.877 -2.407 352 HE22 GLN 57 HE22 GLN 57 1.229 -9.313 -0.747 353 H ILE 58 HN ILE 58 3.337 -3.598 -3.095 354 HA ILE 58 HA ILE 58 0.811 -4.078 -4.477 355 HB ILE 58 HB ILE 58 0.058 -2.030 -3.157 356 HG12 ILE 58 HG12 ILE 58 2.701 -2.571 -1.785 357 HG13 ILE 58 HG11 ILE 58 2.220 -1.086 -2.597 358 HG21 ILE 58 HG21 ILE 58 -0.592 -4.282 -2.559 359 HG22 ILE 58 HG22 ILE 58 -0.247 -3.354 -1.101 360 HG23 ILE 58 HG23 ILE 58 0.927 -4.523 -1.699 361 HD11 ILE 58 HD11 ILE 58 1.138 -2.210 -0.030 362 HD12 ILE 58 HD12 ILE 58 0.415 -0.845 -0.881 363 HD13 ILE 58 HD13 ILE 58 2.062 -0.725 -0.258 364 H ARG 59 HN ARG 59 -0.243 -2.406 -5.658 365 HA ARG 59 HA ARG 59 1.586 -0.435 -6.876 366 HB2 ARG 59 HB2 ARG 59 -0.514 -2.104 -8.279 367 HB3 ARG 59 HB1 ARG 59 0.406 -0.805 -9.025 368 HG2 ARG 59 HG2 ARG 59 1.588 -3.330 -7.885 369 HG3 ARG 59 HG1 ARG 59 1.269 -3.031 -9.596 370 HD2 ARG 59 HD2 ARG 59 2.835 -1.206 -9.618 371 HD3 ARG 59 HD1 ARG 59 3.070 -1.329 -7.878 372 HE ARG 59 HE ARG 59 3.933 -3.377 -9.825 373 HH11 ARG 59 HH11 ARG 59 5.861 -2.441 -6.382 374 HH12 ARG 59 HH12 ARG 59 4.229 -1.754 -6.706 375 HH21 ARG 59 HH21 ARG 59 5.976 -4.314 -9.409 376 HH22 ARG 59 HH22 ARG 59 6.826 -3.895 -7.873 377 H PHE 60 HN PHE 60 0.740 1.609 -7.121 378 HA PHE 60 HA PHE 60 -2.035 1.961 -6.194 379 HB2 PHE 60 HB2 PHE 60 0.408 3.679 -5.811 380 HB3 PHE 60 HB1 PHE 60 -1.215 4.326 -5.614 381 HD1 PHE 60 HD1 PHE 60 1.004 1.600 -4.410 382 HD2 PHE 60 HD2 PHE 60 -2.286 4.162 -3.578 383 HE1 PHE 60 HE1 PHE 60 0.964 0.785 -2.093 384 HE2 PHE 60 HE2 PHE 60 -2.335 3.352 -1.254 385 HZ PHE 60 HZ PHE 60 -0.707 1.660 -0.508 386 H ARG 61 HN ARG 61 -3.420 3.237 -7.323 387 HA ARG 61 HA ARG 61 -2.419 4.533 -9.770 388 HB2 ARG 61 HB2 ARG 61 -4.561 2.493 -9.473 389 HB3 ARG 61 HB1 ARG 61 -4.853 3.804 -10.604 390 HG2 ARG 61 HG2 ARG 61 -2.490 3.140 -11.514 391 HG3 ARG 61 HG1 ARG 61 -2.851 1.605 -10.716 392 HD2 ARG 61 HD2 ARG 61 -5.164 1.937 -11.978 393 HD3 ARG 61 HD1 ARG 61 -4.151 2.884 -13.064 394 HE ARG 61 HE ARG 61 -3.807 0.018 -12.467 395 HH11 ARG 61 HH11 ARG 61 -2.579 1.841 -15.870 396 HH12 ARG 61 HH12 ARG 61 -3.355 2.820 -14.563 397 HH21 ARG 61 HH21 ARG 61 -2.880 -1.244 -14.121 398 HH22 ARG 61 HH22 ARG 61 -2.311 -0.424 -15.623 399 H PHE 62 HN PHE 62 -3.403 6.432 -10.321 400 HA PHE 62 HA PHE 62 -5.663 7.333 -8.680 401 HB2 PHE 62 HB2 PHE 62 -3.855 8.484 -7.641 402 HB3 PHE 62 HB1 PHE 62 -3.095 8.836 -9.192 403 HD1 PHE 62 HD1 PHE 62 -6.142 9.565 -7.188 404 HD2 PHE 62 HD2 PHE 62 -3.507 10.859 -10.273 405 HE1 PHE 62 HE1 PHE 62 -7.332 11.717 -7.302 406 HE2 PHE 62 HE2 PHE 62 -4.688 13.013 -10.385 407 HZ PHE 62 HZ PHE 62 -6.606 13.443 -8.901 408 H ASP 63 HN ASP 63 -7.267 7.805 -9.966 409 HA ASP 63 HA ASP 63 -8.508 8.660 -11.660 410 HB2 ASP 63 HB2 ASP 63 -7.094 10.661 -11.528 411 HB3 ASP 63 HB1 ASP 63 -5.911 9.905 -12.588 412 H GLY 64 HN GLY 64 -5.398 7.353 -12.682 413 HA2 GLY 64 HA2 GLY 64 -6.451 5.217 -14.137 414 HA3 GLY 64 HA1 GLY 64 -6.164 6.531 -15.270 415 H GLN 65 HN GLN 65 -3.921 7.676 -14.252 416 HA GLN 65 HA GLN 65 -1.885 5.809 -15.063 417 HB2 GLN 65 HB2 GLN 65 -1.777 8.685 -14.138 418 HB3 GLN 65 HB1 GLN 65 -0.360 7.776 -14.631 419 HG2 GLN 65 HG2 GLN 65 -2.707 8.062 -16.461 420 HG3 GLN 65 HG1 GLN 65 -1.502 9.340 -16.325 421 HE21 GLN 65 HE21 GLN 65 -0.719 9.131 -18.387 422 HE22 GLN 65 HE22 GLN 65 0.169 7.749 -18.930 423 HA PRO 66 HA PRO 66 -0.562 4.513 -11.031 424 HB2 PRO 66 HB2 PRO 66 2.080 4.070 -11.455 425 HB3 PRO 66 HB1 PRO 66 0.823 3.008 -12.106 426 HG2 PRO 66 HG2 PRO 66 2.356 5.163 -13.482 427 HG3 PRO 66 HG1 PRO 66 1.890 3.558 -14.077 428 HD2 PRO 66 HD2 PRO 66 0.551 5.823 -14.751 429 HD3 PRO 66 HD1 PRO 66 -0.223 4.230 -14.647 430 H ILE 67 HN ILE 67 0.396 5.308 -9.167 431 HA ILE 67 HA ILE 67 1.092 8.111 -9.232 432 HB ILE 67 HB ILE 67 0.985 6.230 -6.867 433 HG12 ILE 67 HG12 ILE 67 -1.122 8.106 -7.964 434 HG13 ILE 67 HG11 ILE 67 -1.179 6.349 -8.020 435 HG21 ILE 67 HG21 ILE 67 0.924 9.245 -6.981 436 HG22 ILE 67 HG22 ILE 67 2.285 8.261 -6.447 437 HG23 ILE 67 HG23 ILE 67 0.781 8.259 -5.525 438 HD11 ILE 67 HD11 ILE 67 -1.277 8.073 -5.559 439 HD12 ILE 67 HD12 ILE 67 -1.225 6.312 -5.551 440 HD13 ILE 67 HD13 ILE 67 -2.604 7.152 -6.262 441 H ASN 68 HN ASN 68 3.048 9.028 -8.754 442 HA ASN 68 HA ASN 68 5.353 7.214 -8.822 443 HB2 ASN 68 HB2 ASN 68 5.232 10.225 -9.170 444 HB3 ASN 68 HB1 ASN 68 6.661 9.224 -9.384 445 HD21 ASN 68 HD21 ASN 68 3.596 10.173 -10.695 446 HD22 ASN 68 HD22 ASN 68 3.836 9.498 -12.279 447 H GLU 69 HN GLU 69 7.227 7.776 -7.417 448 HA GLU 69 HA GLU 69 6.350 8.026 -4.700 449 HB2 GLU 69 HB2 GLU 69 9.123 7.855 -5.896 450 HB3 GLU 69 HB1 GLU 69 8.777 7.801 -4.173 451 HG2 GLU 69 HG2 GLU 69 7.684 5.725 -4.353 452 HG3 GLU 69 HG1 GLU 69 7.589 5.841 -6.110 453 H THR 70 HN THR 70 7.107 10.275 -7.052 454 HA THR 70 HA THR 70 7.994 12.287 -5.102 455 HB THR 70 HB THR 70 8.178 13.468 -7.576 456 HG1 THR 70 HG1 THR 70 9.186 11.777 -8.869 457 HG21 THR 70 HG21 THR 70 9.919 13.499 -5.865 458 HG22 THR 70 HG22 THR 70 10.596 12.986 -7.408 459 HG23 THR 70 HG23 THR 70 10.256 11.796 -6.154 460 H ASP 71 HN ASP 71 5.185 11.194 -6.300 461 HA ASP 71 HA ASP 71 3.969 13.661 -7.138 462 HB2 ASP 71 HB2 ASP 71 3.061 10.842 -6.821 463 HB3 ASP 71 HB1 ASP 71 1.840 12.110 -6.826 464 H THR 72 HN THR 72 2.207 14.673 -6.160 465 HA THR 72 HA THR 72 1.766 14.201 -3.301 466 HB THR 72 HB THR 72 1.701 16.755 -3.041 467 HG1 THR 72 HG1 THR 72 3.603 17.077 -5.001 468 HG21 THR 72 HG21 THR 72 4.244 15.202 -3.413 469 HG22 THR 72 HG22 THR 72 3.446 15.683 -1.915 470 HG23 THR 72 HG23 THR 72 4.262 16.890 -2.902 471 HA PRO 73 HA PRO 73 -2.520 14.733 -4.303 472 HB2 PRO 73 HB2 PRO 73 -2.737 16.735 -2.119 473 HB3 PRO 73 HB1 PRO 73 -3.640 15.234 -2.362 474 HG2 PRO 73 HG2 PRO 73 -1.769 15.393 -0.480 475 HG3 PRO 73 HG1 PRO 73 -1.994 13.912 -1.434 476 HD2 PRO 73 HD2 PRO 73 0.115 16.007 -1.669 477 HD3 PRO 73 HD1 PRO 73 0.239 14.247 -1.876 478 H ALA 74 HN ALA 74 -0.634 17.625 -3.629 479 HA ALA 74 HA ALA 74 -2.379 19.406 -5.025 480 HB1 ALA 74 HB1 ALA 74 -0.625 21.058 -4.703 481 HB2 ALA 74 HB2 ALA 74 0.491 19.792 -4.189 482 HB3 ALA 74 HB3 ALA 74 -0.926 20.168 -3.209 483 H GLN 75 HN GLN 75 0.607 17.674 -5.837 484 HA GLN 75 HA GLN 75 1.090 18.932 -8.305 485 HB2 GLN 75 HB2 GLN 75 2.722 17.503 -7.096 486 HB3 GLN 75 HB1 GLN 75 1.768 16.091 -7.532 487 HG2 GLN 75 HG2 GLN 75 3.665 16.313 -9.006 488 HG3 GLN 75 HG1 GLN 75 2.166 16.561 -9.901 489 HE21 GLN 75 HE21 GLN 75 3.044 17.754 -11.518 490 HE22 GLN 75 HE22 GLN 75 3.681 19.347 -11.293 491 H LEU 76 HN LEU 76 -0.845 16.096 -7.477 492 HA LEU 76 HA LEU 76 -1.547 15.668 -10.257 493 HB2 LEU 76 HB2 LEU 76 -2.293 14.258 -7.707 494 HB3 LEU 76 HB1 LEU 76 -2.985 13.831 -9.260 495 HG LEU 76 HG LEU 76 -0.029 13.769 -8.663 496 HD11 LEU 76 HD11 LEU 76 -2.031 11.516 -8.688 497 HD12 LEU 76 HD12 LEU 76 -1.173 12.138 -7.278 498 HD13 LEU 76 HD13 LEU 76 -0.281 11.334 -8.570 499 HD21 LEU 76 HD21 LEU 76 -0.486 14.044 -11.011 500 HD22 LEU 76 HD22 LEU 76 -1.672 12.740 -10.969 501 HD23 LEU 76 HD23 LEU 76 0.037 12.386 -10.718 502 H GLU 77 HN GLU 77 -2.497 17.886 -8.130 503 HA GLU 77 HA GLU 77 -4.326 19.186 -7.780 504 HB2 GLU 77 HB2 GLU 77 -4.924 18.190 -10.563 505 HB3 GLU 77 HB1 GLU 77 -5.844 19.460 -9.769 506 HG2 GLU 77 HG2 GLU 77 -2.878 19.697 -10.028 507 HG3 GLU 77 HG1 GLU 77 -3.926 20.080 -11.393 508 H MET 78 HN MET 78 -4.548 16.825 -6.499 509 HA MET 78 HA MET 78 -7.056 15.523 -7.054 510 HB2 MET 78 HB2 MET 78 -5.361 15.367 -4.551 511 HB3 MET 78 HB1 MET 78 -6.606 14.232 -5.053 512 HG2 MET 78 HG2 MET 78 -5.270 13.504 -6.907 513 HG3 MET 78 HG1 MET 78 -4.062 14.741 -6.571 514 HE1 MET 78 HE1 MET 78 -5.723 11.420 -5.412 515 HE2 MET 78 HE2 MET 78 -6.003 12.427 -3.995 516 HE3 MET 78 HE3 MET 78 -4.887 11.069 -3.903 517 H GLU 79 HN GLU 79 -8.876 15.527 -5.591 518 HA GLU 79 HA GLU 79 -9.064 18.030 -4.051 519 HB2 GLU 79 HB2 GLU 79 -10.691 17.104 -6.191 520 HB3 GLU 79 HB1 GLU 79 -11.660 17.057 -4.724 521 HG2 GLU 79 HG2 GLU 79 -10.299 19.414 -5.984 522 HG3 GLU 79 HG1 GLU 79 -12.016 19.172 -5.678 523 H ASP 80 HN ASP 80 -11.130 17.766 -2.531 524 HA ASP 80 HA ASP 80 -10.369 15.809 -0.609 525 HB2 ASP 80 HB2 ASP 80 -11.371 18.083 -0.135 526 HB3 ASP 80 HB1 ASP 80 -12.919 17.426 -0.656 527 H GLU 81 HN GLU 81 -11.376 13.957 0.021 528 HA GLU 81 HA GLU 81 -12.618 12.076 -0.068 529 HB2 GLU 81 HB2 GLU 81 -14.516 13.834 -1.613 530 HB3 GLU 81 HB1 GLU 81 -14.867 12.159 -1.214 531 HG2 GLU 81 HG2 GLU 81 -14.386 12.900 1.221 532 HG3 GLU 81 HG1 GLU 81 -14.645 14.527 0.589 533 H ASP 82 HN ASP 82 -10.670 12.920 -2.246 534 HA ASP 82 HA ASP 82 -11.554 11.707 -4.657 535 HB2 ASP 82 HB2 ASP 82 -9.425 13.263 -4.056 536 HB3 ASP 82 HB1 ASP 82 -8.646 11.682 -4.087 537 H THR 83 HN THR 83 -10.524 9.710 -5.591 538 HA THR 83 HA THR 83 -10.323 7.679 -3.463 539 HB THR 83 HB THR 83 -11.400 7.216 -6.245 540 HG1 THR 83 HG1 THR 83 -12.571 8.506 -4.309 541 HG21 THR 83 HG21 THR 83 -12.178 5.101 -5.355 542 HG22 THR 83 HG22 THR 83 -11.560 5.512 -3.755 543 HG23 THR 83 HG23 THR 83 -10.440 5.240 -5.089 544 H ILE 84 HN ILE 84 -8.579 6.477 -3.385 545 HA ILE 84 HA ILE 84 -6.757 6.469 -5.703 546 HB ILE 84 HB ILE 84 -6.080 5.987 -2.792 547 HG12 ILE 84 HG12 ILE 84 -5.370 8.344 -4.550 548 HG13 ILE 84 HG11 ILE 84 -6.664 8.355 -3.357 549 HG21 ILE 84 HG21 ILE 84 -3.740 6.058 -3.559 550 HG22 ILE 84 HG22 ILE 84 -4.307 6.170 -5.225 551 HG23 ILE 84 HG23 ILE 84 -4.641 4.720 -4.277 552 HD11 ILE 84 HD11 ILE 84 -3.728 8.000 -2.812 553 HD12 ILE 84 HD12 ILE 84 -5.004 7.920 -1.599 554 HD13 ILE 84 HD13 ILE 84 -4.705 9.427 -2.464 555 H ASP 85 HN ASP 85 -6.304 4.533 -6.634 556 HA ASP 85 HA ASP 85 -7.643 2.195 -5.480 557 HB2 ASP 85 HB2 ASP 85 -7.622 3.187 -8.040 558 HB3 ASP 85 HB1 ASP 85 -6.449 1.876 -8.131 559 H VAL 86 HN VAL 86 -6.612 0.280 -5.077 560 HA VAL 86 HA VAL 86 -3.674 0.283 -5.277 561 HB VAL 86 HB VAL 86 -5.247 -0.993 -3.031 562 HG11 VAL 86 HG11 VAL 86 -3.039 -1.200 -1.966 563 HG12 VAL 86 HG12 VAL 86 -2.291 -0.529 -3.415 564 HG13 VAL 86 HG13 VAL 86 -3.129 -2.080 -3.492 565 HG21 VAL 86 HG21 VAL 86 -4.447 0.807 -1.598 566 HG22 VAL 86 HG22 VAL 86 -5.432 1.449 -2.915 567 HG23 VAL 86 HG23 VAL 86 -3.676 1.581 -2.982 568 H PHE 87 HN PHE 87 -2.849 -1.386 -6.313 569 HA PHE 87 HA PHE 87 -4.512 -3.788 -6.706 570 HB2 PHE 87 HB2 PHE 87 -2.588 -2.517 -8.672 571 HB3 PHE 87 HB1 PHE 87 -3.451 -4.029 -8.930 572 HD1 PHE 87 HD1 PHE 87 -5.979 -3.968 -8.999 573 HD2 PHE 87 HD2 PHE 87 -3.570 -0.465 -9.203 574 HE1 PHE 87 HE1 PHE 87 -7.868 -2.724 -9.955 575 HE2 PHE 87 HE2 PHE 87 -5.461 0.781 -10.160 576 HZ PHE 87 HZ PHE 87 -7.614 -0.348 -10.539 577 H GLN 88 HN GLN 88 -3.010 -5.644 -7.528 578 HA GLN 88 HA GLN 88 -0.662 -5.719 -5.745 579 HB2 GLN 88 HB2 GLN 88 -2.556 -7.909 -6.608 580 HB3 GLN 88 HB1 GLN 88 -1.021 -8.228 -5.815 581 HG2 GLN 88 HG2 GLN 88 -3.043 -6.413 -4.569 582 HG3 GLN 88 HG1 GLN 88 -3.161 -8.163 -4.394 583 HE21 GLN 88 HE21 GLN 88 -2.819 -8.104 -2.196 584 HE22 GLN 88 HE22 GLN 88 -1.279 -7.735 -1.503 585 H GLN 89 HN GLN 89 1.236 -6.707 -6.496 586 HA GLN 89 HA GLN 89 1.671 -6.466 -9.323 587 HB2 GLN 89 HB2 GLN 89 3.425 -5.806 -7.772 588 HB3 GLN 89 HB1 GLN 89 3.476 -7.428 -7.097 589 HG2 GLN 89 HG2 GLN 89 5.349 -7.010 -8.600 590 HG3 GLN 89 HG1 GLN 89 4.313 -8.304 -9.198 591 HE21 GLN 89 HE21 GLN 89 5.034 -8.048 -11.303 592 HE22 GLN 89 HE22 GLN 89 4.566 -6.701 -12.283 593 H GLN 90 HN GLN 90 1.887 -8.040 -10.812 594 HA GLN 90 HA GLN 90 0.711 -10.572 -10.298 595 HB2 GLN 90 HB2 GLN 90 2.232 -9.533 -12.698 596 HB3 GLN 90 HB1 GLN 90 1.370 -11.060 -12.657 597 HG2 GLN 90 HG2 GLN 90 -0.046 -9.543 -13.746 598 HG3 GLN 90 HG1 GLN 90 -0.707 -9.746 -12.127 599 HE21 GLN 90 HE21 GLN 90 -1.804 -7.780 -12.248 600 HE22 GLN 90 HE22 GLN 90 -0.983 -6.264 -12.131 601 H THR 91 HN THR 91 1.817 -11.854 -8.906 602 HA THR 91 HA THR 91 4.676 -12.147 -9.027 603 HB THR 91 HB THR 91 3.703 -14.150 -7.381 604 HG1 THR 91 HG1 THR 91 2.132 -12.728 -6.148 605 HG21 THR 91 HG21 THR 91 4.336 -11.283 -6.668 606 HG22 THR 91 HG22 THR 91 5.520 -12.577 -6.867 607 HG23 THR 91 HG23 THR 91 4.341 -12.650 -5.554 608 H GLY 92 HN GLY 92 3.901 -12.875 -11.480 609 HA2 GLY 92 HA2 GLY 92 5.059 -15.120 -12.206 610 HA3 GLY 92 HA1 GLY 92 3.572 -15.782 -11.544 611 H ASN 357 HT1 ASN 357 -19.108 -4.518 6.225 612 HA ASN 357 HA ASN 357 -18.929 -1.595 5.834 613 HB2 ASN 357 HB2 ASN 357 -20.953 -2.295 7.111 614 HB3 ASN 357 HB1 ASN 357 -19.912 -3.151 8.241 615 HD21 ASN 357 HD21 ASN 357 -20.613 -1.896 9.976 616 HD22 ASN 357 HD22 ASN 357 -20.116 -0.249 10.180 617 H ASN 358 HN ASN 358 -16.673 -1.928 5.440 618 HA ASN 358 HA ASN 358 -15.177 -2.557 7.907 619 HB2 ASN 358 HB2 ASN 358 -14.840 -4.160 5.944 620 HB3 ASN 358 HB1 ASN 358 -14.104 -2.814 5.084 621 HD21 ASN 358 HD21 ASN 358 -12.847 -5.266 5.720 622 HD22 ASN 358 HD22 ASN 358 -11.532 -4.929 6.790 623 H ARG 359 HN ARG 359 -14.111 -0.874 8.717 624 HA ARG 359 HA ARG 359 -13.507 1.382 6.928 625 HB2 ARG 359 HB2 ARG 359 -13.968 2.899 8.885 626 HB3 ARG 359 HB1 ARG 359 -15.383 2.113 8.200 627 HG2 ARG 359 HG2 ARG 359 -15.143 0.384 10.022 628 HG3 ARG 359 HG1 ARG 359 -13.958 1.461 10.761 629 HD2 ARG 359 HD2 ARG 359 -15.536 3.057 11.278 630 HD3 ARG 359 HD1 ARG 359 -16.639 2.532 10.004 631 HE ARG 359 HE ARG 359 -16.546 0.413 11.703 632 HH11 ARG 359 HH11 ARG 359 -18.381 3.571 13.444 633 HH12 ARG 359 HH12 ARG 359 -17.177 3.842 12.125 634 HH21 ARG 359 HH21 ARG 359 -18.053 0.027 13.367 635 HH22 ARG 359 HH22 ARG 359 -18.866 1.439 14.140 636 H ASP 360 HN ASP 360 -11.502 2.074 6.964 637 HA ASP 360 HA ASP 360 -9.821 1.344 9.262 638 HB2 ASP 360 HB2 ASP 360 -9.248 0.025 7.228 639 HB3 ASP 360 HB1 ASP 360 -8.865 1.533 6.399 640 HA PRO 361 HA PRO 361 -9.013 5.748 9.031 641 HB2 PRO 361 HB2 PRO 361 -8.440 6.067 11.619 642 HB3 PRO 361 HB1 PRO 361 -10.054 5.540 11.119 643 HG2 PRO 361 HG2 PRO 361 -7.938 3.988 12.449 644 HG3 PRO 361 HG1 PRO 361 -9.683 3.692 12.384 645 HD2 PRO 361 HD2 PRO 361 -7.583 2.527 10.719 646 HD3 PRO 361 HD1 PRO 361 -9.310 2.107 10.822 647 H ILE 362 HN ILE 362 -7.250 6.763 8.299 648 HA ILE 362 HA ILE 362 -4.612 5.958 9.312 649 HB ILE 362 HB ILE 362 -5.472 6.682 6.544 650 HG12 ILE 362 HG12 ILE 362 -5.093 4.289 7.577 651 HG13 ILE 362 HG11 ILE 362 -4.564 4.645 5.937 652 HG21 ILE 362 HG21 ILE 362 -3.115 6.981 5.900 653 HG22 ILE 362 HG22 ILE 362 -2.659 6.940 7.605 654 HG23 ILE 362 HG23 ILE 362 -3.681 8.242 6.995 655 HD11 ILE 362 HD11 ILE 362 -2.795 4.713 8.370 656 HD12 ILE 362 HD12 ILE 362 -2.296 4.946 6.696 657 HD13 ILE 362 HD13 ILE 362 -2.905 3.379 7.221 658 H VAL 363 HN VAL 363 -3.329 7.420 10.072 659 HA VAL 363 HA VAL 363 -4.134 10.242 9.930 660 HB VAL 363 HB VAL 363 -2.551 8.998 12.198 661 HG11 VAL 363 HG11 VAL 363 -4.122 11.577 12.100 662 HG12 VAL 363 HG12 VAL 363 -2.393 11.474 11.769 663 HG13 VAL 363 HG13 VAL 363 -3.011 11.040 13.362 664 HG21 VAL 363 HG21 VAL 363 -4.675 9.117 13.496 665 HG22 VAL 363 HG22 VAL 363 -4.708 7.927 12.194 666 HG23 VAL 363 HG23 VAL 363 -5.521 9.475 11.988 667 H ILE 364 HN ILE 364 -2.630 11.653 9.331 668 HA ILE 364 HA ILE 364 -0.043 10.556 8.501 669 HB ILE 364 HB ILE 364 -1.976 12.033 7.047 670 HG12 ILE 364 HG12 ILE 364 -0.741 11.407 5.202 671 HG13 ILE 364 HG11 ILE 364 0.802 11.667 5.999 672 HG21 ILE 364 HG21 ILE 364 0.516 13.616 7.606 673 HG22 ILE 364 HG22 ILE 364 -1.167 14.124 7.766 674 HG23 ILE 364 HG23 ILE 364 -0.471 13.872 6.165 675 HD11 ILE 364 HD11 ILE 364 -1.017 9.425 6.802 676 HD12 ILE 364 HD12 ILE 364 0.727 9.576 7.030 677 HD13 ILE 364 HD13 ILE 364 0.071 9.282 5.424 678 H SEP 365 HN SEP 365 1.807 11.629 8.967 679 HA SEP 365 HA SEP 365 1.614 13.564 11.149 680 HB2 SEP 365 HB1 SEP 365 2.937 11.757 11.869 681 HB3 SEP 365 HB2 SEP 365 4.150 12.900 11.295 682 H ASP 366 HN ASP 366 2.386 15.529 10.938 683 HA ASP 366 HA ASP 366 3.454 16.295 8.313 684 HB2 ASP 366 HB2 ASP 366 1.180 17.105 8.732 685 HB3 ASP 366 HB1 ASP 366 1.707 17.851 10.234 686 H SEP 367 HN SEP 367 5.297 17.286 8.237 687 HA SEP 367 HA SEP 367 6.621 18.087 10.718 688 HB2 SEP 367 HB1 SEP 367 8.208 16.779 9.783 689 HB3 SEP 367 HB2 SEP 367 8.487 18.116 8.665 690 HA PRO 368 HA PRO 368 5.404 22.246 9.280 691 HB2 PRO 368 HB2 PRO 368 6.979 22.852 11.733 692 HB3 PRO 368 HB1 PRO 368 5.391 23.456 11.237 693 HG2 PRO 368 HG2 PRO 368 5.597 21.623 13.145 694 HG3 PRO 368 HG1 PRO 368 4.280 21.565 11.955 695 HD2 PRO 368 HD2 PRO 368 6.731 19.887 12.140 696 HD3 PRO 368 HD1 PRO 368 5.103 19.456 11.584 Start of MODEL 9 1 H ASP 16 HT1 ASP 16 -5.558 23.381 4.085 2 HA ASP 16 HA ASP 16 -5.490 22.541 6.917 3 HB2 ASP 16 HB2 ASP 16 -7.650 23.684 5.896 4 HB3 ASP 16 HB1 ASP 16 -7.861 22.111 5.134 5 H HIS 17 HN HIS 17 -6.939 20.208 6.504 6 HA HIS 17 HA HIS 17 -4.964 18.634 5.028 7 HB2 HIS 17 HB2 HIS 17 -7.144 17.732 6.930 8 HB3 HIS 17 HB1 HIS 17 -5.908 16.700 6.223 9 HD2 HIS 17 HD2 HIS 17 -3.472 16.716 7.472 10 HE1 HIS 17 HE1 HIS 17 -4.515 19.567 10.422 11 HE2 HIS 17 HE2 HIS 17 -2.705 17.999 9.599 12 H ILE 18 HN ILE 18 -5.992 16.564 4.027 13 HA ILE 18 HA ILE 18 -8.448 17.265 2.577 14 HB ILE 18 HB ILE 18 -6.488 17.788 1.162 15 HG12 ILE 18 HG12 ILE 18 -7.990 15.377 0.129 16 HG13 ILE 18 HG11 ILE 18 -8.652 17.008 0.183 17 HG21 ILE 18 HG21 ILE 18 -5.088 15.965 0.289 18 HG22 ILE 18 HG22 ILE 18 -5.878 14.848 1.402 19 HG23 ILE 18 HG23 ILE 18 -4.906 16.177 2.031 20 HD11 ILE 18 HD11 ILE 18 -6.226 16.140 -1.374 21 HD12 ILE 18 HD12 ILE 18 -6.898 17.771 -1.329 22 HD13 ILE 18 HD13 ILE 18 -7.832 16.452 -2.036 23 H ASN 19 HN ASN 19 -9.793 15.549 2.103 24 HA ASN 19 HA ASN 19 -9.162 13.061 3.520 25 HB2 ASN 19 HB2 ASN 19 -11.806 13.963 2.346 26 HB3 ASN 19 HB1 ASN 19 -11.545 12.583 3.406 27 HD21 ASN 19 HD21 ASN 19 -11.609 16.066 3.188 28 HD22 ASN 19 HD22 ASN 19 -11.764 16.358 4.895 29 H LEU 20 HN LEU 20 -8.158 11.602 2.276 30 HA LEU 20 HA LEU 20 -9.041 11.326 -0.513 31 HB2 LEU 20 HB2 LEU 20 -6.478 10.426 0.810 32 HB3 LEU 20 HB1 LEU 20 -6.899 10.116 -0.865 33 HG LEU 20 HG LEU 20 -6.440 12.832 0.381 34 HD11 LEU 20 HD11 LEU 20 -4.837 11.321 -1.675 35 HD12 LEU 20 HD12 LEU 20 -4.401 11.507 0.022 36 HD13 LEU 20 HD13 LEU 20 -4.477 12.921 -1.028 37 HD21 LEU 20 HD21 LEU 20 -6.605 13.624 -1.984 38 HD22 LEU 20 HD22 LEU 20 -8.124 13.067 -1.288 39 HD23 LEU 20 HD23 LEU 20 -7.239 12.034 -2.412 40 H LYS 21 HN LYS 21 -10.228 9.645 -1.052 41 HA LYS 21 HA LYS 21 -10.656 7.533 0.902 42 HB2 LYS 21 HB2 LYS 21 -12.003 7.984 -1.767 43 HB3 LYS 21 HB1 LYS 21 -12.512 6.851 -0.523 44 HG2 LYS 21 HG2 LYS 21 -13.179 8.593 0.927 45 HG3 LYS 21 HG1 LYS 21 -12.374 9.815 -0.061 46 HD2 LYS 21 HD2 LYS 21 -13.946 9.396 -1.880 47 HD3 LYS 21 HD1 LYS 21 -14.736 8.142 -0.920 48 HE2 LYS 21 HE2 LYS 21 -15.545 9.717 0.644 49 HE3 LYS 21 HE1 LYS 21 -14.495 10.987 0.020 50 HZ1 LYS 21 HZ1 LYS 21 -16.584 11.476 -0.839 51 HZ2 LYS 21 HZ2 LYS 21 -16.935 9.858 -1.201 52 HZ3 LYS 21 HZ3 LYS 21 -15.803 10.702 -2.132 53 H VAL 22 HN VAL 22 -9.110 6.015 0.853 54 HA VAL 22 HA VAL 22 -8.182 5.019 -1.739 55 HB VAL 22 HB VAL 22 -7.141 4.387 1.029 56 HG11 VAL 22 HG11 VAL 22 -5.186 3.490 -0.176 57 HG12 VAL 22 HG12 VAL 22 -6.039 3.741 -1.700 58 HG13 VAL 22 HG13 VAL 22 -6.672 2.600 -0.513 59 HG21 VAL 22 HG21 VAL 22 -5.252 5.842 0.460 60 HG22 VAL 22 HG22 VAL 22 -6.774 6.730 0.474 61 HG23 VAL 22 HG23 VAL 22 -6.042 6.264 -1.057 62 H ALA 23 HN ALA 23 -9.136 3.273 -2.552 63 HA ALA 23 HA ALA 23 -10.663 1.546 -0.725 64 HB1 ALA 23 HB1 ALA 23 -11.964 0.873 -2.676 65 HB2 ALA 23 HB2 ALA 23 -10.960 1.890 -3.705 66 HB3 ALA 23 HB3 ALA 23 -11.982 2.625 -2.472 67 H GLY 24 HN GLY 24 -9.825 -0.349 -0.241 68 HA2 GLY 24 HA2 GLY 24 -7.641 -1.438 -1.813 69 HA3 GLY 24 HA1 GLY 24 -8.252 -2.070 -0.287 70 H GLN 25 HN GLN 25 -7.629 -3.715 -2.473 71 HA GLN 25 HA GLN 25 -10.021 -4.336 -3.934 72 HB2 GLN 25 HB2 GLN 25 -7.466 -5.925 -3.673 73 HB3 GLN 25 HB1 GLN 25 -8.737 -6.210 -4.849 74 HG2 GLN 25 HG2 GLN 25 -6.904 -3.840 -4.674 75 HG3 GLN 25 HG1 GLN 25 -6.976 -5.059 -5.944 76 HE21 GLN 25 HE21 GLN 25 -7.344 -2.065 -5.831 77 HE22 GLN 25 HE22 GLN 25 -8.833 -1.784 -6.669 78 H ASP 26 HN ASP 26 -9.411 -4.719 -0.822 79 HA ASP 26 HA ASP 26 -10.598 -7.394 -0.588 80 HB2 ASP 26 HB2 ASP 26 -9.854 -7.386 1.696 81 HB3 ASP 26 HB1 ASP 26 -8.504 -6.817 0.715 82 H GLY 27 HN GLY 27 -11.298 -4.089 -0.468 83 HA2 GLY 27 HA2 GLY 27 -13.551 -3.327 -0.446 84 HA3 GLY 27 HA1 GLY 27 -13.964 -4.678 0.593 85 H SER 28 HN SER 28 -11.072 -3.151 1.518 86 HA SER 28 HA SER 28 -12.403 -2.051 3.848 87 HB2 SER 28 HB2 SER 28 -10.092 -1.649 4.682 88 HB3 SER 28 HB1 SER 28 -10.376 -3.331 4.242 89 HG SER 28 HG SER 28 -9.130 -3.106 2.460 90 H VAL 29 HN VAL 29 -12.719 0.041 4.268 91 HA VAL 29 HA VAL 29 -11.698 1.977 2.309 92 HB VAL 29 HB VAL 29 -14.152 1.899 2.414 93 HG11 VAL 29 HG11 VAL 29 -14.435 1.158 4.716 94 HG12 VAL 29 HG12 VAL 29 -15.366 2.623 4.401 95 HG13 VAL 29 HG13 VAL 29 -13.851 2.719 5.298 96 HG21 VAL 29 HG21 VAL 29 -14.565 4.294 2.816 97 HG22 VAL 29 HG22 VAL 29 -13.121 4.005 1.848 98 HG23 VAL 29 HG23 VAL 29 -12.971 4.427 3.554 99 H VAL 30 HN VAL 30 -10.194 3.378 2.979 100 HA VAL 30 HA VAL 30 -9.703 3.509 5.873 101 HB VAL 30 HB VAL 30 -7.416 4.321 5.256 102 HG11 VAL 30 HG11 VAL 30 -7.061 2.208 5.818 103 HG12 VAL 30 HG12 VAL 30 -6.994 1.874 4.084 104 HG13 VAL 30 HG13 VAL 30 -8.505 1.648 4.966 105 HG21 VAL 30 HG21 VAL 30 -8.241 3.455 2.493 106 HG22 VAL 30 HG22 VAL 30 -6.602 3.877 2.993 107 HG23 VAL 30 HG23 VAL 30 -7.872 5.102 3.005 108 H GLN 31 HN GLN 31 -9.707 5.349 6.940 109 HA GLN 31 HA GLN 31 -10.483 7.783 5.526 110 HB2 GLN 31 HB2 GLN 31 -11.731 7.180 7.561 111 HB3 GLN 31 HB1 GLN 31 -10.239 7.190 8.493 112 HG2 GLN 31 HG2 GLN 31 -9.992 9.587 8.058 113 HG3 GLN 31 HG1 GLN 31 -11.491 9.569 7.133 114 HE21 GLN 31 HE21 GLN 31 -10.722 11.011 9.593 115 HE22 GLN 31 HE22 GLN 31 -11.926 10.604 10.761 116 H PHE 32 HN PHE 32 -8.593 8.345 4.502 117 HA PHE 32 HA PHE 32 -6.103 8.448 5.950 118 HB2 PHE 32 HB2 PHE 32 -6.910 8.412 3.198 119 HB3 PHE 32 HB1 PHE 32 -5.829 9.774 3.477 120 HD1 PHE 32 HD1 PHE 32 -6.023 6.325 2.805 121 HD2 PHE 32 HD2 PHE 32 -3.651 9.242 4.790 122 HE1 PHE 32 HE1 PHE 32 -4.097 4.797 2.734 123 HE2 PHE 32 HE2 PHE 32 -1.718 7.721 4.723 124 HZ PHE 32 HZ PHE 32 -1.938 5.498 3.692 125 H LYS 33 HN LYS 33 -5.611 10.032 7.242 126 HA LYS 33 HA LYS 33 -6.646 12.719 6.709 127 HB2 LYS 33 HB2 LYS 33 -6.200 11.193 9.087 128 HB3 LYS 33 HB1 LYS 33 -5.172 12.617 9.141 129 HG2 LYS 33 HG2 LYS 33 -8.127 12.722 8.585 130 HG3 LYS 33 HG1 LYS 33 -7.419 12.892 10.193 131 HD2 LYS 33 HD2 LYS 33 -6.230 14.855 9.532 132 HD3 LYS 33 HD1 LYS 33 -6.688 14.629 7.846 133 HE2 LYS 33 HE2 LYS 33 -8.743 15.511 8.153 134 HE3 LYS 33 HE1 LYS 33 -8.925 14.779 9.748 135 HZ1 LYS 33 HZ1 LYS 33 -8.835 17.090 10.075 136 HZ2 LYS 33 HZ2 LYS 33 -7.507 17.284 9.051 137 HZ3 LYS 33 HZ3 LYS 33 -7.313 16.514 10.545 138 H ILE 34 HN ILE 34 -5.275 13.336 5.070 139 HA ILE 34 HA ILE 34 -2.460 13.731 5.845 140 HB ILE 34 HB ILE 34 -2.612 11.875 4.251 141 HG12 ILE 34 HG12 ILE 34 -1.548 14.292 2.782 142 HG13 ILE 34 HG11 ILE 34 -0.699 13.528 4.122 143 HG21 ILE 34 HG21 ILE 34 -4.720 12.467 3.188 144 HG22 ILE 34 HG22 ILE 34 -3.458 12.193 1.985 145 HG23 ILE 34 HG23 ILE 34 -3.945 13.838 2.393 146 HD11 ILE 34 HD11 ILE 34 -0.490 11.480 2.876 147 HD12 ILE 34 HD12 ILE 34 0.133 12.827 1.919 148 HD13 ILE 34 HD13 ILE 34 -1.455 12.149 1.560 149 H LYS 35 HN LYS 35 -1.414 15.551 4.618 150 HA LYS 35 HA LYS 35 -3.317 17.730 4.273 151 HB2 LYS 35 HB2 LYS 35 -0.391 17.550 4.798 152 HB3 LYS 35 HB1 LYS 35 -0.976 18.959 3.923 153 HG2 LYS 35 HG2 LYS 35 -2.549 19.415 5.766 154 HG3 LYS 35 HG1 LYS 35 -1.866 18.051 6.654 155 HD2 LYS 35 HD2 LYS 35 0.316 19.147 6.674 156 HD3 LYS 35 HD1 LYS 35 -0.345 20.495 5.745 157 HE2 LYS 35 HE2 LYS 35 -1.841 21.062 7.552 158 HE3 LYS 35 HE1 LYS 35 -1.324 19.649 8.470 159 HZ1 LYS 35 HZ1 LYS 35 0.916 20.611 8.564 160 HZ2 LYS 35 HZ2 LYS 35 -0.240 21.627 9.275 161 HZ3 LYS 35 HZ3 LYS 35 0.361 21.982 7.738 162 H ARG 36 HN ARG 36 -2.542 19.357 2.462 163 HA ARG 36 HA ARG 36 -2.727 17.830 -0.000 164 HB2 ARG 36 HB2 ARG 36 -2.810 20.826 0.411 165 HB3 ARG 36 HB1 ARG 36 -3.238 19.964 -1.062 166 HG2 ARG 36 HG2 ARG 36 -5.052 18.826 0.199 167 HG3 ARG 36 HG1 ARG 36 -4.674 19.847 1.585 168 HD2 ARG 36 HD2 ARG 36 -6.535 20.798 0.397 169 HD3 ARG 36 HD1 ARG 36 -5.131 21.838 0.176 170 HE ARG 36 HE ARG 36 -4.883 20.822 -2.050 171 HH11 ARG 36 HH11 ARG 36 -8.018 20.589 -0.440 172 HH12 ARG 36 HH12 ARG 36 -8.914 20.380 -1.993 173 HH21 ARG 36 HH21 ARG 36 -5.990 20.583 -4.013 174 HH22 ARG 36 HH22 ARG 36 -7.793 20.439 -3.991 175 H HIS 37 HN HIS 37 -0.255 19.129 1.845 176 HA HIS 37 HA HIS 37 1.469 19.502 -0.509 177 HB2 HIS 37 HB2 HIS 37 2.778 20.991 0.699 178 HB3 HIS 37 HB1 HIS 37 1.180 21.317 1.349 179 HD2 HIS 37 HD2 HIS 37 0.756 19.813 3.884 180 HE1 HIS 37 HE1 HIS 37 4.863 20.207 4.800 181 HE2 HIS 37 HE2 HIS 37 2.609 19.443 5.667 182 H THR 38 HN THR 38 0.699 17.217 1.755 183 HA THR 38 HA THR 38 3.337 16.192 2.267 184 HB THR 38 HB THR 38 0.697 14.817 2.752 185 HG1 THR 38 HG1 THR 38 2.142 16.495 4.554 186 HG21 THR 38 HG21 THR 38 3.453 14.498 3.933 187 HG22 THR 38 HG22 THR 38 2.530 13.309 3.016 188 HG23 THR 38 HG23 THR 38 2.000 13.782 4.629 189 HA PRO 39 HA PRO 39 3.803 13.936 -1.568 190 HB2 PRO 39 HB2 PRO 39 5.501 12.210 0.162 191 HB3 PRO 39 HB1 PRO 39 5.886 12.983 -1.382 192 HG2 PRO 39 HG2 PRO 39 6.870 13.953 0.881 193 HG3 PRO 39 HG1 PRO 39 6.331 15.034 -0.421 194 HD2 PRO 39 HD2 PRO 39 4.998 14.376 2.159 195 HD3 PRO 39 HD1 PRO 39 5.033 15.904 1.255 196 H LEU 40 HN LEU 40 2.845 12.217 -2.486 197 HA LEU 40 HA LEU 40 0.997 10.681 -0.947 198 HB2 LEU 40 HB2 LEU 40 1.876 10.470 -3.824 199 HB3 LEU 40 HB1 LEU 40 0.600 9.497 -3.120 200 HG LEU 40 HG LEU 40 0.580 12.509 -3.351 201 HD11 LEU 40 HD11 LEU 40 -1.172 12.161 -5.004 202 HD12 LEU 40 HD12 LEU 40 -0.985 10.414 -4.849 203 HD13 LEU 40 HD13 LEU 40 0.331 11.387 -5.506 204 HD21 LEU 40 HD21 LEU 40 -1.465 10.565 -2.285 205 HD22 LEU 40 HD22 LEU 40 -1.808 12.251 -2.675 206 HD23 LEU 40 HD23 LEU 40 -0.653 11.860 -1.402 207 H SER 41 HN SER 41 4.280 10.300 -1.754 208 HA SER 41 HA SER 41 4.532 7.506 -1.792 209 HB2 SER 41 HB2 SER 41 6.789 8.814 -0.530 210 HB3 SER 41 HB1 SER 41 6.691 8.063 -2.124 211 HG SER 41 HG SER 41 7.093 10.188 -2.512 212 H LYS 42 HN LYS 42 4.346 9.866 0.757 213 HA LYS 42 HA LYS 42 4.991 8.190 2.949 214 HB2 LYS 42 HB2 LYS 42 4.940 10.745 2.805 215 HB3 LYS 42 HB1 LYS 42 3.200 10.616 2.993 216 HG2 LYS 42 HG2 LYS 42 3.589 9.453 5.159 217 HG3 LYS 42 HG1 LYS 42 5.313 9.801 4.970 218 HD2 LYS 42 HD2 LYS 42 4.732 12.211 4.760 219 HD3 LYS 42 HD1 LYS 42 3.058 11.791 5.136 220 HE2 LYS 42 HE2 LYS 42 4.084 12.566 7.132 221 HE3 LYS 42 HE1 LYS 42 3.868 10.823 7.286 222 HZ1 LYS 42 HZ1 LYS 42 5.980 11.159 8.056 223 HZ2 LYS 42 HZ2 LYS 42 6.336 12.383 6.939 224 HZ3 LYS 42 HZ3 LYS 42 6.288 10.760 6.441 225 H LEU 43 HN LEU 43 2.054 9.042 1.254 226 HA LEU 43 HA LEU 43 0.183 7.864 3.018 227 HB2 LEU 43 HB2 LEU 43 -0.351 9.557 1.284 228 HB3 LEU 43 HB1 LEU 43 -0.017 8.368 0.043 229 HG LEU 43 HG LEU 43 -2.076 7.597 2.020 230 HD11 LEU 43 HD11 LEU 43 -2.631 9.934 1.781 231 HD12 LEU 43 HD12 LEU 43 -3.803 8.955 0.902 232 HD13 LEU 43 HD13 LEU 43 -2.534 9.811 0.025 233 HD21 LEU 43 HD21 LEU 43 -1.938 7.517 -0.997 234 HD22 LEU 43 HD22 LEU 43 -3.193 6.782 0.000 235 HD23 LEU 43 HD23 LEU 43 -1.534 6.194 0.094 236 H MET 44 HN MET 44 1.895 6.705 0.158 237 HA MET 44 HA MET 44 0.605 4.215 -0.067 238 HB2 MET 44 HB2 MET 44 3.371 5.082 -0.916 239 HB3 MET 44 HB1 MET 44 2.648 3.542 -1.360 240 HG2 MET 44 HG2 MET 44 0.752 4.906 -2.368 241 HG3 MET 44 HG1 MET 44 1.813 6.301 -2.181 242 HE1 MET 44 HE1 MET 44 4.001 6.716 -3.587 243 HE2 MET 44 HE2 MET 44 4.800 5.446 -4.513 244 HE3 MET 44 HE3 MET 44 4.652 5.299 -2.762 245 H LYS 45 HN LYS 45 3.565 5.176 1.628 246 HA LYS 45 HA LYS 45 4.348 2.631 2.506 247 HB2 LYS 45 HB2 LYS 45 4.795 5.331 3.785 248 HB3 LYS 45 HB1 LYS 45 5.622 3.854 4.258 249 HG2 LYS 45 HG2 LYS 45 6.563 3.702 1.977 250 HG3 LYS 45 HG1 LYS 45 5.801 5.247 1.596 251 HD2 LYS 45 HD2 LYS 45 7.061 6.238 3.525 252 HD3 LYS 45 HD1 LYS 45 7.937 4.712 3.654 253 HE2 LYS 45 HE2 LYS 45 8.623 5.007 1.265 254 HE3 LYS 45 HE1 LYS 45 7.907 6.616 1.321 255 HZ1 LYS 45 HZ1 LYS 45 9.440 7.176 3.123 256 HZ2 LYS 45 HZ2 LYS 45 10.275 6.721 1.726 257 HZ3 LYS 45 HZ3 LYS 45 10.145 5.643 3.018 258 H ALA 46 HN ALA 46 2.182 5.011 3.953 259 HA ALA 46 HA ALA 46 1.855 3.858 6.468 260 HB1 ALA 46 HB1 ALA 46 1.075 6.090 5.934 261 HB2 ALA 46 HB2 ALA 46 -0.245 5.114 6.578 262 HB3 ALA 46 HB3 ALA 46 -0.142 5.424 4.847 263 H TYR 47 HN TYR 47 -0.225 3.422 3.587 264 HA TYR 47 HA TYR 47 -1.845 1.452 4.835 265 HB2 TYR 47 HB2 TYR 47 -2.561 2.835 2.888 266 HB3 TYR 47 HB1 TYR 47 -1.461 1.909 1.871 267 HD1 TYR 47 HD1 TYR 47 -2.595 0.420 0.509 268 HD2 TYR 47 HD2 TYR 47 -3.996 1.032 4.480 269 HE1 TYR 47 HE1 TYR 47 -4.355 -1.260 0.143 270 HE2 TYR 47 HE2 TYR 47 -5.761 -0.645 4.124 271 HH TYR 47 HH TYR 47 -6.971 -1.708 2.321 272 H CYS 48 HN CYS 48 1.118 1.344 3.017 273 HA CYS 48 HA CYS 48 1.186 -1.389 2.378 274 HB2 CYS 48 HB2 CYS 48 2.782 -0.179 1.240 275 HB3 CYS 48 HB1 CYS 48 3.196 0.800 2.639 276 HG CYS 48 HG CYS 48 4.047 -2.382 3.078 277 H GLU 49 HN GLU 49 2.480 0.374 5.178 278 HA GLU 49 HA GLU 49 3.492 -1.922 6.510 279 HB2 GLU 49 HB2 GLU 49 2.736 0.828 7.512 280 HB3 GLU 49 HB1 GLU 49 3.507 -0.391 8.514 281 HG2 GLU 49 HG2 GLU 49 4.679 0.765 5.994 282 HG3 GLU 49 HG1 GLU 49 5.078 1.278 7.633 283 H ARG 50 HN ARG 50 0.448 -0.198 6.563 284 HA ARG 50 HA ARG 50 -0.792 -1.294 8.794 285 HB2 ARG 50 HB2 ARG 50 -1.542 0.577 7.203 286 HB3 ARG 50 HB1 ARG 50 -2.223 -0.702 6.216 287 HG2 ARG 50 HG2 ARG 50 -4.000 -0.944 7.557 288 HG3 ARG 50 HG1 ARG 50 -3.047 -0.798 9.038 289 HD2 ARG 50 HD2 ARG 50 -3.598 1.550 7.269 290 HD3 ARG 50 HD1 ARG 50 -4.714 1.048 8.538 291 HE ARG 50 HE ARG 50 -1.899 1.744 9.093 292 HH11 ARG 50 HH11 ARG 50 -5.338 1.886 9.753 293 HH12 ARG 50 HH12 ARG 50 -5.127 2.904 11.231 294 HH21 ARG 50 HH21 ARG 50 -3.005 3.507 11.931 295 HH22 ARG 50 HH22 ARG 50 -1.565 2.981 10.979 296 H GLN 51 HN GLN 51 -0.698 -2.525 5.465 297 HA GLN 51 HA GLN 51 -2.245 -4.859 6.202 298 HB2 GLN 51 HB2 GLN 51 -0.930 -4.070 3.600 299 HB3 GLN 51 HB1 GLN 51 -1.904 -5.517 3.821 300 HG2 GLN 51 HG2 GLN 51 -2.904 -2.711 4.263 301 HG3 GLN 51 HG1 GLN 51 -3.110 -3.619 2.768 302 HE21 GLN 51 HE21 GLN 51 -5.352 -3.569 2.904 303 HE22 GLN 51 HE22 GLN 51 -6.225 -4.513 4.062 304 H GLY 52 HN GLY 52 0.973 -3.967 6.381 305 HA2 GLY 52 HA2 GLY 52 2.809 -5.165 7.089 306 HA3 GLY 52 HA1 GLY 52 1.777 -6.583 7.198 307 H LEU 53 HN LEU 53 2.108 -4.719 4.269 308 HA LEU 53 HA LEU 53 3.569 -6.983 3.078 309 HB2 LEU 53 HB2 LEU 53 1.622 -5.108 1.725 310 HB3 LEU 53 HB1 LEU 53 2.465 -6.442 0.958 311 HG LEU 53 HG LEU 53 0.437 -6.727 3.179 312 HD11 LEU 53 HD11 LEU 53 -1.019 -7.646 1.416 313 HD12 LEU 53 HD12 LEU 53 0.183 -7.181 0.209 314 HD13 LEU 53 HD13 LEU 53 -0.635 -5.941 1.161 315 HD21 LEU 53 HD21 LEU 53 1.844 -8.770 1.463 316 HD22 LEU 53 HD22 LEU 53 0.508 -9.116 2.559 317 HD23 LEU 53 HD23 LEU 53 2.044 -8.532 3.197 318 H SER 54 HN SER 54 4.496 -6.074 0.811 319 HA SER 54 HA SER 54 6.259 -3.882 1.608 320 HB2 SER 54 HB2 SER 54 7.434 -5.849 0.863 321 HB3 SER 54 HB1 SER 54 6.453 -5.940 -0.599 322 HG SER 54 HG SER 54 8.574 -4.242 0.030 323 H MET 55 HN MET 55 6.576 -2.053 0.334 324 HA MET 55 HA MET 55 4.284 -1.159 -1.108 325 HB2 MET 55 HB2 MET 55 6.033 0.217 0.260 326 HB3 MET 55 HB1 MET 55 6.937 0.231 -1.247 327 HG2 MET 55 HG2 MET 55 4.968 1.216 -2.369 328 HG3 MET 55 HG1 MET 55 4.157 1.293 -0.807 329 HE1 MET 55 HE1 MET 55 6.934 2.634 -3.102 330 HE2 MET 55 HE2 MET 55 7.968 2.080 -1.783 331 HE3 MET 55 HE3 MET 55 7.792 3.806 -2.100 332 H ARG 56 HN ARG 56 6.926 -3.048 -1.976 333 HA ARG 56 HA ARG 56 6.841 -2.233 -4.784 334 HB2 ARG 56 HB2 ARG 56 9.026 -2.730 -3.564 335 HB3 ARG 56 HB1 ARG 56 8.549 -4.420 -3.598 336 HG2 ARG 56 HG2 ARG 56 8.480 -4.366 -6.031 337 HG3 ARG 56 HG1 ARG 56 8.934 -2.662 -6.013 338 HD2 ARG 56 HD2 ARG 56 11.080 -3.160 -5.114 339 HD3 ARG 56 HD1 ARG 56 10.623 -4.830 -4.789 340 HE ARG 56 HE ARG 56 10.688 -5.266 -7.132 341 HH11 ARG 56 HH11 ARG 56 12.841 -1.884 -7.726 342 HH12 ARG 56 HH12 ARG 56 11.936 -2.112 -6.184 343 HH21 ARG 56 HH21 ARG 56 12.762 -3.499 -9.366 344 HH22 ARG 56 HH22 ARG 56 11.779 -4.992 -9.120 345 H GLN 57 HN GLN 57 5.176 -4.214 -2.762 346 HA GLN 57 HA GLN 57 4.750 -6.359 -4.695 347 HB2 GLN 57 HB2 GLN 57 5.035 -6.941 -2.314 348 HB3 GLN 57 HB1 GLN 57 3.627 -5.966 -1.913 349 HG2 GLN 57 HG2 GLN 57 2.253 -7.459 -3.335 350 HG3 GLN 57 HG1 GLN 57 3.677 -8.472 -3.580 351 HE21 GLN 57 HE21 GLN 57 1.102 -9.087 -2.332 352 HE22 GLN 57 HE22 GLN 57 1.479 -9.648 -0.737 353 H ILE 58 HN ILE 58 3.095 -3.661 -3.172 354 HA ILE 58 HA ILE 58 0.709 -4.186 -4.789 355 HB ILE 58 HB ILE 58 -0.325 -2.358 -3.402 356 HG12 ILE 58 HG12 ILE 58 2.230 -2.684 -1.810 357 HG13 ILE 58 HG11 ILE 58 1.732 -1.238 -2.679 358 HG21 ILE 58 HG21 ILE 58 -0.755 -4.686 -2.922 359 HG22 ILE 58 HG22 ILE 58 -0.611 -3.784 -1.414 360 HG23 ILE 58 HG23 ILE 58 0.724 -4.794 -1.969 361 HD11 ILE 58 HD11 ILE 58 0.409 -2.439 -0.263 362 HD12 ILE 58 HD12 ILE 58 -0.222 -1.068 -1.175 363 HD13 ILE 58 HD13 ILE 58 1.328 -0.937 -0.346 364 H ARG 59 HN ARG 59 -0.363 -2.224 -5.747 365 HA ARG 59 HA ARG 59 1.586 -0.203 -6.617 366 HB2 ARG 59 HB2 ARG 59 -0.219 -1.833 -8.410 367 HB3 ARG 59 HB1 ARG 59 0.565 -0.352 -8.931 368 HG2 ARG 59 HG2 ARG 59 1.963 -2.847 -8.000 369 HG3 ARG 59 HG1 ARG 59 1.772 -2.333 -9.677 370 HD2 ARG 59 HD2 ARG 59 3.036 -0.271 -9.146 371 HD3 ARG 59 HD1 ARG 59 3.281 -0.878 -7.508 372 HE ARG 59 HE ARG 59 4.647 -1.716 -9.901 373 HH11 ARG 59 HH11 ARG 59 5.058 -3.756 -6.423 374 HH12 ARG 59 HH12 ARG 59 3.756 -2.512 -6.588 375 HH21 ARG 59 HH21 ARG 59 6.344 -3.232 -9.704 376 HH22 ARG 59 HH22 ARG 59 6.527 -4.124 -8.148 377 H PHE 60 HN PHE 60 0.825 1.801 -6.465 378 HA PHE 60 HA PHE 60 -2.018 2.176 -5.892 379 HB2 PHE 60 HB2 PHE 60 0.453 3.802 -5.391 380 HB3 PHE 60 HB1 PHE 60 -1.126 4.574 -5.379 381 HD1 PHE 60 HD1 PHE 60 0.613 1.621 -3.903 382 HD2 PHE 60 HD2 PHE 60 -2.239 4.737 -3.392 383 HE1 PHE 60 HE1 PHE 60 0.314 0.957 -1.556 384 HE2 PHE 60 HE2 PHE 60 -2.547 4.075 -1.041 385 HZ PHE 60 HZ PHE 60 -1.268 2.184 -0.120 386 H ARG 61 HN ARG 61 -3.365 3.238 -7.217 387 HA ARG 61 HA ARG 61 -2.216 4.646 -9.531 388 HB2 ARG 61 HB2 ARG 61 -4.467 2.627 -9.568 389 HB3 ARG 61 HB1 ARG 61 -4.118 3.715 -10.902 390 HG2 ARG 61 HG2 ARG 61 -1.852 2.724 -11.062 391 HG3 ARG 61 HG1 ARG 61 -2.309 1.574 -9.805 392 HD2 ARG 61 HD2 ARG 61 -4.185 0.829 -11.260 393 HD3 ARG 61 HD1 ARG 61 -3.560 1.879 -12.529 394 HE ARG 61 HE ARG 61 -1.625 0.006 -11.507 395 HH11 ARG 61 HH11 ARG 61 -3.605 -0.729 -14.965 396 HH12 ARG 61 HH12 ARG 61 -4.190 0.557 -13.843 397 HH21 ARG 61 HH21 ARG 61 -0.841 -1.639 -12.917 398 HH22 ARG 61 HH22 ARG 61 -1.740 -1.946 -14.451 399 H PHE 62 HN PHE 62 -3.229 6.480 -10.122 400 HA PHE 62 HA PHE 62 -5.724 7.207 -8.741 401 HB2 PHE 62 HB2 PHE 62 -4.114 8.472 -7.550 402 HB3 PHE 62 HB1 PHE 62 -3.191 8.828 -9.007 403 HD1 PHE 62 HD1 PHE 62 -6.501 9.458 -7.425 404 HD2 PHE 62 HD2 PHE 62 -3.492 10.848 -10.093 405 HE1 PHE 62 HE1 PHE 62 -7.705 11.591 -7.668 406 HE2 PHE 62 HE2 PHE 62 -4.686 12.983 -10.341 407 HZ PHE 62 HZ PHE 62 -6.801 13.358 -9.128 408 H ASP 63 HN ASP 63 -7.262 7.783 -10.121 409 HA ASP 63 HA ASP 63 -8.357 8.393 -12.017 410 HB2 ASP 63 HB2 ASP 63 -6.969 10.497 -11.574 411 HB3 ASP 63 HB1 ASP 63 -5.869 9.913 -12.817 412 H GLY 64 HN GLY 64 -6.561 6.038 -11.919 413 HA2 GLY 64 HA2 GLY 64 -6.376 4.291 -13.465 414 HA3 GLY 64 HA1 GLY 64 -6.627 5.443 -14.765 415 H GLN 65 HN GLN 65 -4.384 6.932 -12.983 416 HA GLN 65 HA GLN 65 -2.204 5.745 -14.557 417 HB2 GLN 65 HB2 GLN 65 -2.542 8.526 -13.435 418 HB3 GLN 65 HB1 GLN 65 -1.069 7.953 -14.204 419 HG2 GLN 65 HG2 GLN 65 -3.759 8.012 -15.550 420 HG3 GLN 65 HG1 GLN 65 -2.552 9.291 -15.686 421 HE21 GLN 65 HE21 GLN 65 -0.273 7.612 -15.775 422 HE22 GLN 65 HE22 GLN 65 -0.282 6.795 -17.297 423 HA PRO 66 HA PRO 66 -0.350 4.304 -10.783 424 HB2 PRO 66 HB2 PRO 66 2.230 4.503 -12.198 425 HB3 PRO 66 HB1 PRO 66 1.425 3.079 -11.523 426 HG2 PRO 66 HG2 PRO 66 1.595 3.449 -14.165 427 HG3 PRO 66 HG1 PRO 66 0.170 2.708 -13.414 428 HD2 PRO 66 HD2 PRO 66 0.525 5.498 -14.422 429 HD3 PRO 66 HD1 PRO 66 -0.876 4.415 -14.557 430 H ILE 67 HN ILE 67 0.301 5.371 -9.025 431 HA ILE 67 HA ILE 67 1.179 8.108 -9.230 432 HB ILE 67 HB ILE 67 0.902 6.368 -6.770 433 HG12 ILE 67 HG12 ILE 67 -1.061 8.325 -7.988 434 HG13 ILE 67 HG11 ILE 67 -1.215 6.571 -8.020 435 HG21 ILE 67 HG21 ILE 67 1.042 9.370 -7.029 436 HG22 ILE 67 HG22 ILE 67 2.310 8.322 -6.395 437 HG23 ILE 67 HG23 ILE 67 0.779 8.471 -5.536 438 HD11 ILE 67 HD11 ILE 67 -2.635 7.545 -6.311 439 HD12 ILE 67 HD12 ILE 67 -1.233 8.305 -5.556 440 HD13 ILE 67 HD13 ILE 67 -1.378 6.548 -5.583 441 H ASN 68 HN ASN 68 3.180 8.950 -8.600 442 HA ASN 68 HA ASN 68 5.363 6.983 -8.554 443 HB2 ASN 68 HB2 ASN 68 5.509 9.964 -9.080 444 HB3 ASN 68 HB1 ASN 68 6.827 8.810 -9.244 445 HD21 ASN 68 HD21 ASN 68 3.816 9.936 -10.575 446 HD22 ASN 68 HD22 ASN 68 4.005 9.201 -12.141 447 H GLU 69 HN GLU 69 7.311 7.742 -7.228 448 HA GLU 69 HA GLU 69 6.367 8.183 -4.526 449 HB2 GLU 69 HB2 GLU 69 9.218 7.826 -5.443 450 HB3 GLU 69 HB1 GLU 69 8.571 7.563 -3.829 451 HG2 GLU 69 HG2 GLU 69 7.593 5.556 -4.402 452 HG3 GLU 69 HG1 GLU 69 7.533 5.956 -6.119 453 H THR 70 HN THR 70 6.790 10.299 -6.842 454 HA THR 70 HA THR 70 7.948 12.327 -5.045 455 HB THR 70 HB THR 70 8.251 12.775 -7.961 456 HG1 THR 70 HG1 THR 70 9.875 10.897 -6.542 457 HG21 THR 70 HG21 THR 70 9.077 14.322 -6.184 458 HG22 THR 70 HG22 THR 70 10.342 13.763 -7.280 459 HG23 THR 70 HG23 THR 70 10.198 13.062 -5.668 460 H ASP 71 HN ASP 71 5.158 11.418 -5.832 461 HA ASP 71 HA ASP 71 4.176 13.923 -7.011 462 HB2 ASP 71 HB2 ASP 71 3.004 11.156 -6.870 463 HB3 ASP 71 HB1 ASP 71 1.991 12.558 -7.194 464 H THR 72 HN THR 72 2.476 15.034 -6.071 465 HA THR 72 HA THR 72 1.804 14.346 -3.289 466 HB THR 72 HB THR 72 1.761 16.816 -2.813 467 HG1 THR 72 HG1 THR 72 3.076 18.088 -4.347 468 HG21 THR 72 HG21 THR 72 4.302 15.390 -3.498 469 HG22 THR 72 HG22 THR 72 3.653 15.823 -1.917 470 HG23 THR 72 HG23 THR 72 4.353 17.066 -2.953 471 HA PRO 73 HA PRO 73 -2.462 14.997 -4.357 472 HB2 PRO 73 HB2 PRO 73 -2.695 17.122 -2.291 473 HB3 PRO 73 HB1 PRO 73 -3.624 15.626 -2.478 474 HG2 PRO 73 HG2 PRO 73 -1.809 15.836 -0.556 475 HG3 PRO 73 HG1 PRO 73 -2.009 14.321 -1.460 476 HD2 PRO 73 HD2 PRO 73 0.102 16.415 -1.738 477 HD3 PRO 73 HD1 PRO 73 0.248 14.647 -1.819 478 H ALA 74 HN ALA 74 -0.687 17.984 -3.678 479 HA ALA 74 HA ALA 74 -2.331 19.643 -5.304 480 HB1 ALA 74 HB1 ALA 74 -0.641 21.344 -4.935 481 HB2 ALA 74 HB2 ALA 74 0.476 20.127 -4.319 482 HB3 ALA 74 HB3 ALA 74 -0.998 20.504 -3.426 483 H GLN 75 HN GLN 75 0.557 17.742 -5.836 484 HA GLN 75 HA GLN 75 1.297 18.877 -8.327 485 HB2 GLN 75 HB2 GLN 75 2.853 17.571 -6.963 486 HB3 GLN 75 HB1 GLN 75 1.861 16.139 -7.178 487 HG2 GLN 75 HG2 GLN 75 3.815 16.072 -8.597 488 HG3 GLN 75 HG1 GLN 75 2.338 16.145 -9.556 489 HE21 GLN 75 HE21 GLN 75 3.396 16.943 -11.344 490 HE22 GLN 75 HE22 GLN 75 3.988 18.567 -11.426 491 H LEU 76 HN LEU 76 -0.790 16.199 -7.394 492 HA LEU 76 HA LEU 76 -1.390 15.622 -10.190 493 HB2 LEU 76 HB2 LEU 76 -2.229 14.304 -7.610 494 HB3 LEU 76 HB1 LEU 76 -2.862 13.829 -9.172 495 HG LEU 76 HG LEU 76 0.046 13.699 -8.367 496 HD11 LEU 76 HD11 LEU 76 -1.996 11.516 -8.731 497 HD12 LEU 76 HD12 LEU 76 -1.315 12.054 -7.197 498 HD13 LEU 76 HD13 LEU 76 -0.280 11.282 -8.397 499 HD21 LEU 76 HD21 LEU 76 -0.143 14.086 -10.732 500 HD22 LEU 76 HD22 LEU 76 -1.387 12.845 -10.876 501 HD23 LEU 76 HD23 LEU 76 0.268 12.392 -10.467 502 H GLU 77 HN GLU 77 -2.329 17.843 -8.050 503 HA GLU 77 HA GLU 77 -4.096 19.219 -7.735 504 HB2 GLU 77 HB2 GLU 77 -4.823 18.341 -10.534 505 HB3 GLU 77 HB1 GLU 77 -5.415 19.783 -9.714 506 HG2 GLU 77 HG2 GLU 77 -3.021 20.531 -9.542 507 HG3 GLU 77 HG1 GLU 77 -2.609 19.193 -10.611 508 H MET 78 HN MET 78 -4.439 16.811 -6.561 509 HA MET 78 HA MET 78 -7.005 15.662 -7.179 510 HB2 MET 78 HB2 MET 78 -5.364 15.319 -4.662 511 HB3 MET 78 HB1 MET 78 -6.629 14.254 -5.260 512 HG2 MET 78 HG2 MET 78 -5.285 13.530 -7.067 513 HG3 MET 78 HG1 MET 78 -4.081 14.780 -6.758 514 HE1 MET 78 HE1 MET 78 -5.604 11.393 -5.726 515 HE2 MET 78 HE2 MET 78 -5.947 12.289 -4.246 516 HE3 MET 78 HE3 MET 78 -4.759 10.987 -4.232 517 H GLU 79 HN GLU 79 -8.875 15.803 -5.843 518 HA GLU 79 HA GLU 79 -8.905 18.263 -4.226 519 HB2 GLU 79 HB2 GLU 79 -10.662 17.369 -6.340 520 HB3 GLU 79 HB1 GLU 79 -11.563 17.615 -4.852 521 HG2 GLU 79 HG2 GLU 79 -10.095 19.583 -6.523 522 HG3 GLU 79 HG1 GLU 79 -11.687 19.701 -5.776 523 H ASP 80 HN ASP 80 -10.902 18.212 -2.701 524 HA ASP 80 HA ASP 80 -10.384 16.231 -0.758 525 HB2 ASP 80 HB2 ASP 80 -11.312 18.587 -0.416 526 HB3 ASP 80 HB1 ASP 80 -12.875 17.921 -0.878 527 H GLU 81 HN GLU 81 -11.447 14.422 -0.185 528 HA GLU 81 HA GLU 81 -12.752 12.588 -0.310 529 HB2 GLU 81 HB2 GLU 81 -14.596 14.483 -1.757 530 HB3 GLU 81 HB1 GLU 81 -15.016 12.804 -1.445 531 HG2 GLU 81 HG2 GLU 81 -14.426 13.413 1.019 532 HG3 GLU 81 HG1 GLU 81 -14.693 15.064 0.464 533 H ASP 82 HN ASP 82 -10.712 13.222 -2.338 534 HA ASP 82 HA ASP 82 -11.623 12.176 -4.842 535 HB2 ASP 82 HB2 ASP 82 -9.443 13.611 -4.155 536 HB3 ASP 82 HB1 ASP 82 -8.737 11.998 -4.167 537 H THR 83 HN THR 83 -10.209 10.194 -5.739 538 HA THR 83 HA THR 83 -10.349 8.075 -3.691 539 HB THR 83 HB THR 83 -11.113 7.457 -6.514 540 HG1 THR 83 HG1 THR 83 -12.340 9.340 -5.287 541 HG21 THR 83 HG21 THR 83 -12.533 5.793 -5.385 542 HG22 THR 83 HG22 THR 83 -11.982 6.396 -3.821 543 HG23 THR 83 HG23 THR 83 -10.839 5.630 -4.925 544 H ILE 84 HN ILE 84 -8.850 6.488 -3.765 545 HA ILE 84 HA ILE 84 -6.839 6.562 -5.920 546 HB ILE 84 HB ILE 84 -6.217 6.067 -2.999 547 HG12 ILE 84 HG12 ILE 84 -5.602 8.512 -4.674 548 HG13 ILE 84 HG11 ILE 84 -6.858 8.430 -3.442 549 HG21 ILE 84 HG21 ILE 84 -3.875 6.250 -3.733 550 HG22 ILE 84 HG22 ILE 84 -4.424 6.396 -5.403 551 HG23 ILE 84 HG23 ILE 84 -4.714 4.907 -4.504 552 HD11 ILE 84 HD11 ILE 84 -3.909 8.063 -2.949 553 HD12 ILE 84 HD12 ILE 84 -5.184 8.074 -1.731 554 HD13 ILE 84 HD13 ILE 84 -4.826 9.535 -2.645 555 H ASP 85 HN ASP 85 -6.171 4.577 -6.660 556 HA ASP 85 HA ASP 85 -7.615 2.263 -5.562 557 HB2 ASP 85 HB2 ASP 85 -6.593 2.944 -8.289 558 HB3 ASP 85 HB1 ASP 85 -6.811 1.255 -7.844 559 H VAL 86 HN VAL 86 -6.589 0.498 -4.848 560 HA VAL 86 HA VAL 86 -3.644 0.439 -5.029 561 HB VAL 86 HB VAL 86 -5.350 -0.673 -2.785 562 HG11 VAL 86 HG11 VAL 86 -3.191 -0.997 -1.646 563 HG12 VAL 86 HG12 VAL 86 -2.357 -0.483 -3.112 564 HG13 VAL 86 HG13 VAL 86 -3.325 -1.957 -3.119 565 HG21 VAL 86 HG21 VAL 86 -4.435 1.117 -1.415 566 HG22 VAL 86 HG22 VAL 86 -5.324 1.776 -2.789 567 HG23 VAL 86 HG23 VAL 86 -3.560 1.754 -2.809 568 H PHE 87 HN PHE 87 -2.968 -1.167 -6.277 569 HA PHE 87 HA PHE 87 -4.608 -3.612 -6.426 570 HB2 PHE 87 HB2 PHE 87 -2.925 -2.276 -8.548 571 HB3 PHE 87 HB1 PHE 87 -3.572 -3.903 -8.708 572 HD1 PHE 87 HD1 PHE 87 -6.075 -4.216 -8.662 573 HD2 PHE 87 HD2 PHE 87 -4.230 -0.399 -9.049 574 HE1 PHE 87 HE1 PHE 87 -8.174 -3.293 -9.552 575 HE2 PHE 87 HE2 PHE 87 -6.325 0.527 -9.936 576 HZ PHE 87 HZ PHE 87 -8.299 -0.921 -10.191 577 H GLN 88 HN GLN 88 -3.106 -5.456 -7.399 578 HA GLN 88 HA GLN 88 -0.646 -5.488 -5.779 579 HB2 GLN 88 HB2 GLN 88 -2.549 -7.733 -6.464 580 HB3 GLN 88 HB1 GLN 88 -0.958 -7.997 -5.766 581 HG2 GLN 88 HG2 GLN 88 -2.399 -6.063 -4.215 582 HG3 GLN 88 HG1 GLN 88 -3.366 -7.523 -4.423 583 HE21 GLN 88 HE21 GLN 88 -3.173 -8.113 -2.273 584 HE22 GLN 88 HE22 GLN 88 -1.699 -8.702 -1.598 585 H GLN 89 HN GLN 89 1.156 -6.632 -6.666 586 HA GLN 89 HA GLN 89 1.233 -6.463 -9.574 587 HB2 GLN 89 HB2 GLN 89 3.008 -5.452 -8.074 588 HB3 GLN 89 HB1 GLN 89 3.513 -7.090 -7.699 589 HG2 GLN 89 HG2 GLN 89 4.927 -6.109 -9.406 590 HG3 GLN 89 HG1 GLN 89 4.030 -7.487 -10.043 591 HE21 GLN 89 HE21 GLN 89 4.187 -6.833 -12.153 592 HE22 GLN 89 HE22 GLN 89 3.333 -5.467 -12.779 593 H GLN 90 HN GLN 90 1.536 -8.175 -10.920 594 HA GLN 90 HA GLN 90 0.755 -10.747 -10.043 595 HB2 GLN 90 HB2 GLN 90 2.041 -9.864 -12.637 596 HB3 GLN 90 HB1 GLN 90 1.363 -11.461 -12.356 597 HG2 GLN 90 HG2 GLN 90 -0.304 -10.324 -13.511 598 HG3 GLN 90 HG1 GLN 90 -0.818 -10.243 -11.828 599 HE21 GLN 90 HE21 GLN 90 -2.078 -8.430 -12.204 600 HE22 GLN 90 HE22 GLN 90 -1.390 -6.864 -12.475 601 H THR 91 HN THR 91 1.947 -12.198 -9.001 602 HA THR 91 HA THR 91 4.786 -11.913 -8.778 603 HB THR 91 HB THR 91 4.193 -14.352 -7.662 604 HG1 THR 91 HG1 THR 91 2.174 -13.698 -6.466 605 HG21 THR 91 HG21 THR 91 3.901 -11.644 -6.357 606 HG22 THR 91 HG22 THR 91 5.432 -12.467 -6.649 607 HG23 THR 91 HG23 THR 91 4.252 -13.166 -5.542 608 H GLY 92 HN GLY 92 2.608 -14.237 -10.360 609 HA2 GLY 92 HA2 GLY 92 4.876 -15.067 -12.017 610 HA3 GLY 92 HA1 GLY 92 4.006 -16.310 -11.132 611 H ASN 357 HT1 ASN 357 -19.908 -3.429 6.982 612 HA ASN 357 HA ASN 357 -18.147 -2.286 4.907 613 HB2 ASN 357 HB2 ASN 357 -20.090 -0.884 5.360 614 HB3 ASN 357 HB1 ASN 357 -19.806 -1.005 7.093 615 HD21 ASN 357 HD21 ASN 357 -19.390 1.085 7.598 616 HD22 ASN 357 HD22 ASN 357 -18.095 2.021 6.926 617 H ASN 358 HN ASN 358 -16.097 -2.205 5.415 618 HA ASN 358 HA ASN 358 -15.318 -2.419 8.254 619 HB2 ASN 358 HB2 ASN 358 -14.591 -4.399 7.043 620 HB3 ASN 358 HB1 ASN 358 -13.912 -3.418 5.751 621 HD21 ASN 358 HD21 ASN 358 -11.851 -4.177 5.920 622 HD22 ASN 358 HD22 ASN 358 -10.830 -3.864 7.279 623 H ARG 359 HN ARG 359 -14.225 -0.699 9.025 624 HA ARG 359 HA ARG 359 -13.155 1.202 7.056 625 HB2 ARG 359 HB2 ARG 359 -13.767 3.040 8.568 626 HB3 ARG 359 HB1 ARG 359 -15.176 2.121 8.066 627 HG2 ARG 359 HG2 ARG 359 -15.361 1.070 10.166 628 HG3 ARG 359 HG1 ARG 359 -13.762 1.623 10.663 629 HD2 ARG 359 HD2 ARG 359 -14.611 3.963 10.553 630 HD3 ARG 359 HD1 ARG 359 -16.221 3.312 10.237 631 HE ARG 359 HE ARG 359 -14.937 2.292 12.615 632 HH11 ARG 359 HH11 ARG 359 -17.839 5.114 12.823 633 HH12 ARG 359 HH12 ARG 359 -17.043 4.758 11.243 634 HH21 ARG 359 HH21 ARG 359 -15.925 2.719 14.635 635 HH22 ARG 359 HH22 ARG 359 -17.223 3.970 14.711 636 H ASP 360 HN ASP 360 -11.169 1.778 7.267 637 HA ASP 360 HA ASP 360 -9.734 1.126 9.743 638 HB2 ASP 360 HB2 ASP 360 -9.096 -0.334 7.782 639 HB3 ASP 360 HB1 ASP 360 -8.547 1.118 6.956 640 HA PRO 361 HA PRO 361 -8.822 5.470 9.198 641 HB2 PRO 361 HB2 PRO 361 -8.254 5.990 11.752 642 HB3 PRO 361 HB1 PRO 361 -9.873 5.436 11.294 643 HG2 PRO 361 HG2 PRO 361 -7.779 3.989 12.766 644 HG3 PRO 361 HG1 PRO 361 -9.521 3.672 12.686 645 HD2 PRO 361 HD2 PRO 361 -7.365 2.421 11.127 646 HD3 PRO 361 HD1 PRO 361 -9.086 1.963 11.262 647 H ILE 362 HN ILE 362 -7.032 6.334 8.351 648 HA ILE 362 HA ILE 362 -4.439 5.588 9.525 649 HB ILE 362 HB ILE 362 -4.821 6.377 6.647 650 HG12 ILE 362 HG12 ILE 362 -4.764 3.625 7.905 651 HG13 ILE 362 HG11 ILE 362 -6.048 4.326 6.923 652 HG21 ILE 362 HG21 ILE 362 -2.587 5.400 6.376 653 HG22 ILE 362 HG22 ILE 362 -2.528 5.052 8.105 654 HG23 ILE 362 HG23 ILE 362 -2.577 6.726 7.540 655 HD11 ILE 362 HD11 ILE 362 -3.309 3.523 5.992 656 HD12 ILE 362 HD12 ILE 362 -4.514 4.338 4.995 657 HD13 ILE 362 HD13 ILE 362 -4.838 2.723 5.629 658 H VAL 363 HN VAL 363 -3.170 7.127 10.140 659 HA VAL 363 HA VAL 363 -3.933 9.902 9.561 660 HB VAL 363 HB VAL 363 -2.491 9.001 12.046 661 HG11 VAL 363 HG11 VAL 363 -2.934 11.169 12.882 662 HG12 VAL 363 HG12 VAL 363 -4.049 11.531 11.564 663 HG13 VAL 363 HG13 VAL 363 -2.316 11.391 11.247 664 HG21 VAL 363 HG21 VAL 363 -4.650 9.298 13.220 665 HG22 VAL 363 HG22 VAL 363 -4.643 7.941 12.094 666 HG23 VAL 363 HG23 VAL 363 -5.440 9.453 11.648 667 H ILE 364 HN ILE 364 -2.411 11.242 8.972 668 HA ILE 364 HA ILE 364 0.244 10.129 8.437 669 HB ILE 364 HB ILE 364 -1.590 11.731 6.788 670 HG12 ILE 364 HG12 ILE 364 -0.972 10.150 5.333 671 HG13 ILE 364 HG11 ILE 364 0.640 10.858 5.289 672 HG21 ILE 364 HG21 ILE 364 1.277 12.617 7.039 673 HG22 ILE 364 HG22 ILE 364 -0.179 13.580 7.286 674 HG23 ILE 364 HG23 ILE 364 0.236 13.017 5.671 675 HD11 ILE 364 HD11 ILE 364 -0.303 8.675 7.130 676 HD12 ILE 364 HD12 ILE 364 1.308 9.399 7.141 677 HD13 ILE 364 HD13 ILE 364 0.756 8.495 5.734 678 H SEP 365 HN SEP 365 2.002 11.319 9.009 679 HA SEP 365 HA SEP 365 1.493 13.403 11.002 680 HB2 SEP 365 HB1 SEP 365 3.402 12.669 12.056 681 HB3 SEP 365 HB2 SEP 365 4.246 12.393 10.538 682 H ASP 366 HN ASP 366 2.250 15.411 10.748 683 HA ASP 366 HA ASP 366 3.392 16.014 8.115 684 HB2 ASP 366 HB2 ASP 366 1.203 16.946 8.301 685 HB3 ASP 366 HB1 ASP 366 1.526 17.559 9.914 686 H SEP 367 HN SEP 367 5.277 16.906 8.017 687 HA SEP 367 HA SEP 367 6.669 17.554 10.477 688 HB2 SEP 367 HB1 SEP 367 8.687 17.307 9.191 689 HB3 SEP 367 HB2 SEP 367 7.788 17.339 7.673 690 HA PRO 368 HA PRO 368 5.758 21.872 9.701 691 HB2 PRO 368 HB2 PRO 368 7.610 22.248 11.968 692 HB3 PRO 368 HB1 PRO 368 5.926 22.757 11.797 693 HG2 PRO 368 HG2 PRO 368 6.609 20.764 13.430 694 HG3 PRO 368 HG1 PRO 368 5.088 20.746 12.518 695 HD2 PRO 368 HD2 PRO 368 7.622 19.267 11.978 696 HD3 PRO 368 HD1 PRO 368 5.939 18.733 11.800 Start of MODEL 10 1 H ASP 16 HT1 ASP 16 -4.761 23.160 4.024 2 HA ASP 16 HA ASP 16 -5.108 22.749 6.929 3 HB2 ASP 16 HB2 ASP 16 -6.809 24.075 5.450 4 HB3 ASP 16 HB1 ASP 16 -7.249 22.479 4.847 5 H HIS 17 HN HIS 17 -7.197 20.739 6.192 6 HA HIS 17 HA HIS 17 -5.348 18.561 5.455 7 HB2 HIS 17 HB2 HIS 17 -7.445 18.776 7.554 8 HB3 HIS 17 HB1 HIS 17 -7.234 17.214 6.771 9 HD2 HIS 17 HD2 HIS 17 -4.544 16.172 7.015 10 HE1 HIS 17 HE1 HIS 17 -3.847 18.413 10.531 11 HE2 HIS 17 HE2 HIS 17 -2.933 16.608 9.001 12 H ILE 18 HN ILE 18 -5.998 17.065 3.969 13 HA ILE 18 HA ILE 18 -8.575 17.618 2.650 14 HB ILE 18 HB ILE 18 -6.712 18.182 1.192 15 HG12 ILE 18 HG12 ILE 18 -8.002 15.596 0.302 16 HG13 ILE 18 HG11 ILE 18 -8.772 17.176 0.232 17 HG21 ILE 18 HG21 ILE 18 -5.133 16.470 0.405 18 HG22 ILE 18 HG22 ILE 18 -5.811 15.332 1.570 19 HG23 ILE 18 HG23 ILE 18 -4.982 16.783 2.135 20 HD11 ILE 18 HD11 ILE 18 -6.285 16.359 -1.249 21 HD12 ILE 18 HD12 ILE 18 -7.065 17.939 -1.330 22 HD13 ILE 18 HD13 ILE 18 -7.904 16.510 -1.933 23 H ASN 19 HN ASN 19 -9.961 15.953 2.327 24 HA ASN 19 HA ASN 19 -9.377 13.480 3.722 25 HB2 ASN 19 HB2 ASN 19 -11.871 14.428 2.290 26 HB3 ASN 19 HB1 ASN 19 -11.747 12.919 3.187 27 HD21 ASN 19 HD21 ASN 19 -11.986 16.357 3.369 28 HD22 ASN 19 HD22 ASN 19 -12.255 16.453 5.082 29 H LEU 20 HN LEU 20 -8.271 11.950 2.687 30 HA LEU 20 HA LEU 20 -8.942 11.460 -0.135 31 HB2 LEU 20 HB2 LEU 20 -6.317 11.104 1.304 32 HB3 LEU 20 HB1 LEU 20 -6.636 10.452 -0.290 33 HG LEU 20 HG LEU 20 -6.598 13.374 0.466 34 HD11 LEU 20 HD11 LEU 20 -4.760 11.747 -1.280 35 HD12 LEU 20 HD12 LEU 20 -4.387 12.353 0.336 36 HD13 LEU 20 HD13 LEU 20 -4.656 13.482 -0.993 37 HD21 LEU 20 HD21 LEU 20 -6.815 13.729 -1.998 38 HD22 LEU 20 HD22 LEU 20 -8.263 13.096 -1.216 39 HD23 LEU 20 HD23 LEU 20 -7.222 12.019 -2.149 40 H LYS 21 HN LYS 21 -9.531 9.455 -0.722 41 HA LYS 21 HA LYS 21 -9.601 7.420 1.412 42 HB2 LYS 21 HB2 LYS 21 -11.424 7.577 -0.989 43 HB3 LYS 21 HB1 LYS 21 -11.580 6.508 0.394 44 HG2 LYS 21 HG2 LYS 21 -12.253 8.278 1.805 45 HG3 LYS 21 HG1 LYS 21 -11.787 9.497 0.612 46 HD2 LYS 21 HD2 LYS 21 -13.509 8.649 -0.911 47 HD3 LYS 21 HD1 LYS 21 -13.981 7.450 0.290 48 HE2 LYS 21 HE2 LYS 21 -14.746 9.139 1.784 49 HE3 LYS 21 HE1 LYS 21 -14.045 10.418 0.790 50 HZ1 LYS 21 HZ1 LYS 21 -16.288 10.446 0.239 51 HZ2 LYS 21 HZ2 LYS 21 -16.421 8.753 0.248 52 HZ3 LYS 21 HZ3 LYS 21 -15.603 9.530 -1.011 53 H VAL 22 HN VAL 22 -9.163 5.280 0.849 54 HA VAL 22 HA VAL 22 -7.929 4.880 -1.790 55 HB VAL 22 HB VAL 22 -6.995 3.688 0.828 56 HG11 VAL 22 HG11 VAL 22 -6.729 2.132 -1.018 57 HG12 VAL 22 HG12 VAL 22 -5.162 2.735 -0.481 58 HG13 VAL 22 HG13 VAL 22 -5.891 3.368 -1.957 59 HG21 VAL 22 HG21 VAL 22 -5.701 5.741 -0.958 60 HG22 VAL 22 HG22 VAL 22 -4.940 4.989 0.444 61 HG23 VAL 22 HG23 VAL 22 -6.357 6.018 0.655 62 H ALA 23 HN ALA 23 -8.796 3.248 -2.915 63 HA ALA 23 HA ALA 23 -10.801 1.597 -1.573 64 HB1 ALA 23 HB1 ALA 23 -11.604 1.066 -3.811 65 HB2 ALA 23 HB2 ALA 23 -10.262 1.966 -4.516 66 HB3 ALA 23 HB3 ALA 23 -11.493 2.811 -3.577 67 H GLY 24 HN GLY 24 -9.914 -0.144 -0.664 68 HA2 GLY 24 HA2 GLY 24 -7.735 -1.569 -1.926 69 HA3 GLY 24 HA1 GLY 24 -8.533 -1.997 -0.414 70 H GLN 25 HN GLN 25 -7.842 -3.793 -2.576 71 HA GLN 25 HA GLN 25 -10.058 -4.410 -4.196 72 HB2 GLN 25 HB2 GLN 25 -7.792 -6.159 -3.219 73 HB3 GLN 25 HB1 GLN 25 -8.951 -6.641 -4.450 74 HG2 GLN 25 HG2 GLN 25 -7.058 -4.312 -4.637 75 HG3 GLN 25 HG1 GLN 25 -6.859 -5.872 -5.429 76 HE21 GLN 25 HE21 GLN 25 -7.207 -3.058 -6.414 77 HE22 GLN 25 HE22 GLN 25 -8.502 -3.157 -7.557 78 H ASP 26 HN ASP 26 -9.454 -4.962 -0.876 79 HA ASP 26 HA ASP 26 -11.441 -7.089 -0.649 80 HB2 ASP 26 HB2 ASP 26 -10.725 -7.300 1.631 81 HB3 ASP 26 HB1 ASP 26 -9.276 -7.136 0.645 82 H GLY 27 HN GLY 27 -11.526 -3.831 -0.910 83 HA2 GLY 27 HA2 GLY 27 -13.328 -2.403 -0.626 84 HA3 GLY 27 HA1 GLY 27 -14.162 -3.677 0.251 85 H SER 28 HN SER 28 -10.985 -2.306 0.953 86 HA SER 28 HA SER 28 -11.840 -1.756 3.672 87 HB2 SER 28 HB2 SER 28 -9.303 -0.954 3.700 88 HB3 SER 28 HB1 SER 28 -9.720 -2.667 3.750 89 HG SER 28 HG SER 28 -8.994 -2.936 1.761 90 H VAL 29 HN VAL 29 -12.671 0.156 4.223 91 HA VAL 29 HA VAL 29 -12.177 2.455 2.502 92 HB VAL 29 HB VAL 29 -14.086 2.179 4.834 93 HG11 VAL 29 HG11 VAL 29 -13.542 4.485 4.573 94 HG12 VAL 29 HG12 VAL 29 -15.122 4.239 3.828 95 HG13 VAL 29 HG13 VAL 29 -13.685 4.382 2.818 96 HG21 VAL 29 HG21 VAL 29 -15.839 2.032 3.157 97 HG22 VAL 29 HG22 VAL 29 -14.666 0.732 2.936 98 HG23 VAL 29 HG23 VAL 29 -14.638 2.136 1.870 99 H VAL 30 HN VAL 30 -10.066 2.950 3.038 100 HA VAL 30 HA VAL 30 -9.448 3.581 5.818 101 HB VAL 30 HB VAL 30 -7.146 4.151 4.772 102 HG11 VAL 30 HG11 VAL 30 -6.952 2.295 6.027 103 HG12 VAL 30 HG12 VAL 30 -6.838 1.504 4.452 104 HG13 VAL 30 HG13 VAL 30 -8.375 1.532 5.312 105 HG21 VAL 30 HG21 VAL 30 -7.928 4.204 2.449 106 HG22 VAL 30 HG22 VAL 30 -8.307 2.483 2.548 107 HG23 VAL 30 HG23 VAL 30 -6.636 3.030 2.692 108 H GLN 31 HN GLN 31 -9.596 5.559 6.592 109 HA GLN 31 HA GLN 31 -9.900 7.793 4.728 110 HB2 GLN 31 HB2 GLN 31 -11.518 7.432 6.663 111 HB3 GLN 31 HB1 GLN 31 -10.198 7.881 7.733 112 HG2 GLN 31 HG2 GLN 31 -10.048 10.060 6.650 113 HG3 GLN 31 HG1 GLN 31 -11.365 9.615 5.566 114 HE21 GLN 31 HE21 GLN 31 -11.215 11.817 7.430 115 HE22 GLN 31 HE22 GLN 31 -12.532 11.622 8.535 116 H PHE 32 HN PHE 32 -8.150 8.901 4.205 117 HA PHE 32 HA PHE 32 -5.807 8.719 5.937 118 HB2 PHE 32 HB2 PHE 32 -6.262 9.073 3.057 119 HB3 PHE 32 HB1 PHE 32 -4.962 10.061 3.717 120 HD1 PHE 32 HD1 PHE 32 -6.088 6.686 2.960 121 HD2 PHE 32 HD2 PHE 32 -2.991 9.039 4.678 122 HE1 PHE 32 HE1 PHE 32 -4.576 4.744 2.894 123 HE2 PHE 32 HE2 PHE 32 -1.480 7.110 4.612 124 HZ PHE 32 HZ PHE 32 -2.271 4.959 3.718 125 H LYS 33 HN LYS 33 -5.502 10.250 7.373 126 HA LYS 33 HA LYS 33 -6.486 12.957 6.893 127 HB2 LYS 33 HB2 LYS 33 -6.648 11.730 9.157 128 HB3 LYS 33 HB1 LYS 33 -4.920 12.027 9.306 129 HG2 LYS 33 HG2 LYS 33 -5.662 13.874 10.386 130 HG3 LYS 33 HG1 LYS 33 -5.709 14.509 8.742 131 HD2 LYS 33 HD2 LYS 33 -8.111 13.727 8.645 132 HD3 LYS 33 HD1 LYS 33 -7.990 13.434 10.380 133 HE2 LYS 33 HE2 LYS 33 -7.247 15.843 10.597 134 HE3 LYS 33 HE1 LYS 33 -7.741 16.054 8.920 135 HZ1 LYS 33 HZ1 LYS 33 -9.535 16.720 10.307 136 HZ2 LYS 33 HZ2 LYS 33 -9.459 15.298 11.218 137 HZ3 LYS 33 HZ3 LYS 33 -9.975 15.247 9.610 138 H ILE 34 HN ILE 34 -5.110 13.508 5.182 139 HA ILE 34 HA ILE 34 -2.314 13.972 5.969 140 HB ILE 34 HB ILE 34 -2.572 12.019 4.416 141 HG12 ILE 34 HG12 ILE 34 -1.115 14.311 3.093 142 HG13 ILE 34 HG11 ILE 34 -0.503 13.465 4.510 143 HG21 ILE 34 HG21 ILE 34 -3.026 12.609 1.996 144 HG22 ILE 34 HG22 ILE 34 -3.686 14.131 2.595 145 HG23 ILE 34 HG23 ILE 34 -4.415 12.602 3.083 146 HD11 ILE 34 HD11 ILE 34 -1.006 12.305 1.782 147 HD12 ILE 34 HD12 ILE 34 -0.551 11.362 3.201 148 HD13 ILE 34 HD13 ILE 34 0.554 12.578 2.561 149 H LYS 35 HN LYS 35 -1.277 15.660 4.490 150 HA LYS 35 HA LYS 35 -3.191 17.827 4.009 151 HB2 LYS 35 HB2 LYS 35 -0.185 17.838 4.356 152 HB3 LYS 35 HB1 LYS 35 -1.119 19.262 3.926 153 HG2 LYS 35 HG2 LYS 35 -2.360 19.076 6.033 154 HG3 LYS 35 HG1 LYS 35 -1.390 17.668 6.466 155 HD2 LYS 35 HD2 LYS 35 0.644 19.073 6.328 156 HD3 LYS 35 HD1 LYS 35 -0.379 20.474 6.005 157 HE2 LYS 35 HE2 LYS 35 -1.438 20.242 8.167 158 HE3 LYS 35 HE1 LYS 35 -0.534 18.761 8.485 159 HZ1 LYS 35 HZ1 LYS 35 1.522 20.167 8.246 160 HZ2 LYS 35 HZ2 LYS 35 0.583 20.471 9.618 161 HZ3 LYS 35 HZ3 LYS 35 0.514 21.526 8.297 162 H ARG 36 HN ARG 36 -2.337 19.329 2.116 163 HA ARG 36 HA ARG 36 -2.349 17.624 -0.214 164 HB2 ARG 36 HB2 ARG 36 -3.007 20.405 0.373 165 HB3 ARG 36 HB1 ARG 36 -2.166 20.203 -1.158 166 HG2 ARG 36 HG2 ARG 36 -3.832 18.483 -1.788 167 HG3 ARG 36 HG1 ARG 36 -4.711 18.849 -0.303 168 HD2 ARG 36 HD2 ARG 36 -5.268 20.999 -1.034 169 HD3 ARG 36 HD1 ARG 36 -4.030 20.987 -2.291 170 HE ARG 36 HE ARG 36 -5.523 19.078 -3.223 171 HH11 ARG 36 HH11 ARG 36 -6.600 22.051 -1.683 172 HH12 ARG 36 HH12 ARG 36 -8.165 22.071 -2.575 173 HH21 ARG 36 HH21 ARG 36 -7.466 19.060 -4.371 174 HH22 ARG 36 HH22 ARG 36 -8.660 20.400 -4.098 175 H HIS 37 HN HIS 37 0.030 19.252 1.607 176 HA HIS 37 HA HIS 37 1.876 19.341 -0.653 177 HB2 HIS 37 HB2 HIS 37 3.163 20.847 0.530 178 HB3 HIS 37 HB1 HIS 37 1.573 21.195 1.193 179 HD2 HIS 37 HD2 HIS 37 1.135 19.920 3.778 180 HE1 HIS 37 HE1 HIS 37 5.287 19.804 4.559 181 HE2 HIS 37 HE2 HIS 37 2.989 19.296 5.487 182 H THR 38 HN THR 38 1.043 17.289 1.911 183 HA THR 38 HA THR 38 3.580 16.117 2.425 184 HB THR 38 HB THR 38 0.938 14.716 2.786 185 HG1 THR 38 HG1 THR 38 2.060 16.595 4.623 186 HG21 THR 38 HG21 THR 38 2.579 13.263 3.506 187 HG22 THR 38 HG22 THR 38 2.246 14.149 4.993 188 HG23 THR 38 HG23 THR 38 3.652 14.567 4.020 189 HA PRO 39 HA PRO 39 4.132 13.910 -1.430 190 HB2 PRO 39 HB2 PRO 39 5.709 12.121 0.358 191 HB3 PRO 39 HB1 PRO 39 6.171 12.881 -1.171 192 HG2 PRO 39 HG2 PRO 39 7.098 13.830 1.119 193 HG3 PRO 39 HG1 PRO 39 6.625 14.923 -0.199 194 HD2 PRO 39 HD2 PRO 39 5.196 14.296 2.339 195 HD3 PRO 39 HD1 PRO 39 5.289 15.821 1.435 196 H LEU 40 HN LEU 40 3.114 12.278 -2.420 197 HA LEU 40 HA LEU 40 1.197 10.736 -0.981 198 HB2 LEU 40 HB2 LEU 40 2.096 10.795 -3.845 199 HB3 LEU 40 HB1 LEU 40 0.978 9.568 -3.278 200 HG LEU 40 HG LEU 40 0.505 12.548 -3.162 201 HD11 LEU 40 HD11 LEU 40 -1.178 12.120 -4.886 202 HD12 LEU 40 HD12 LEU 40 -0.681 10.430 -4.950 203 HD13 LEU 40 HD13 LEU 40 0.439 11.698 -5.440 204 HD21 LEU 40 HD21 LEU 40 -1.173 10.192 -2.329 205 HD22 LEU 40 HD22 LEU 40 -1.844 11.791 -2.636 206 HD23 LEU 40 HD23 LEU 40 -0.663 11.566 -1.349 207 H SER 41 HN SER 41 4.484 10.303 -1.629 208 HA SER 41 HA SER 41 4.676 7.498 -1.812 209 HB2 SER 41 HB2 SER 41 6.930 8.438 -0.413 210 HB3 SER 41 HB1 SER 41 6.796 8.200 -2.158 211 HG SER 41 HG SER 41 7.066 10.287 -2.242 212 H LYS 42 HN LYS 42 4.384 9.756 0.809 213 HA LYS 42 HA LYS 42 4.872 7.998 2.971 214 HB2 LYS 42 HB2 LYS 42 4.722 10.620 2.797 215 HB3 LYS 42 HB1 LYS 42 3.026 10.348 3.148 216 HG2 LYS 42 HG2 LYS 42 3.662 9.199 5.231 217 HG3 LYS 42 HG1 LYS 42 5.357 9.562 4.881 218 HD2 LYS 42 HD2 LYS 42 4.888 11.939 4.924 219 HD3 LYS 42 HD1 LYS 42 3.168 11.616 5.167 220 HE2 LYS 42 HE2 LYS 42 4.119 12.233 7.252 221 HE3 LYS 42 HE1 LYS 42 3.742 10.512 7.311 222 HZ1 LYS 42 HZ1 LYS 42 5.826 10.689 8.267 223 HZ2 LYS 42 HZ2 LYS 42 6.374 11.832 7.143 224 HZ3 LYS 42 HZ3 LYS 42 6.188 10.214 6.682 225 H LEU 43 HN LEU 43 2.048 8.943 1.131 226 HA LEU 43 HA LEU 43 0.079 7.699 2.742 227 HB2 LEU 43 HB2 LEU 43 -0.124 9.495 0.868 228 HB3 LEU 43 HB1 LEU 43 -0.231 8.107 -0.198 229 HG LEU 43 HG LEU 43 -2.047 8.145 2.151 230 HD11 LEU 43 HD11 LEU 43 -2.264 10.423 1.427 231 HD12 LEU 43 HD12 LEU 43 -3.673 9.518 0.872 232 HD13 LEU 43 HD13 LEU 43 -2.382 9.924 -0.260 233 HD21 LEU 43 HD21 LEU 43 -2.408 7.392 -0.752 234 HD22 LEU 43 HD22 LEU 43 -3.557 7.100 0.555 235 HD23 LEU 43 HD23 LEU 43 -1.997 6.275 0.552 236 H MET 44 HN MET 44 1.808 6.688 -0.170 237 HA MET 44 HA MET 44 0.510 4.223 -0.492 238 HB2 MET 44 HB2 MET 44 3.268 5.131 -1.319 239 HB3 MET 44 HB1 MET 44 2.578 3.583 -1.794 240 HG2 MET 44 HG2 MET 44 0.679 4.848 -2.820 241 HG3 MET 44 HG1 MET 44 1.574 6.331 -2.501 242 HE1 MET 44 HE1 MET 44 3.353 7.271 -3.863 243 HE2 MET 44 HE2 MET 44 4.359 6.415 -5.031 244 HE3 MET 44 HE3 MET 44 4.507 6.056 -3.312 245 H LYS 45 HN LYS 45 3.379 5.119 1.364 246 HA LYS 45 HA LYS 45 3.951 2.430 2.148 247 HB2 LYS 45 HB2 LYS 45 4.971 5.104 3.072 248 HB3 LYS 45 HB1 LYS 45 5.481 3.600 3.827 249 HG2 LYS 45 HG2 LYS 45 6.236 2.810 1.594 250 HG3 LYS 45 HG1 LYS 45 5.876 4.414 0.959 251 HD2 LYS 45 HD2 LYS 45 7.731 3.959 3.283 252 HD3 LYS 45 HD1 LYS 45 8.285 3.970 1.608 253 HE2 LYS 45 HE2 LYS 45 7.353 6.251 1.359 254 HE3 LYS 45 HE1 LYS 45 6.914 6.228 3.067 255 HZ1 LYS 45 HZ1 LYS 45 9.009 7.378 2.673 256 HZ2 LYS 45 HZ2 LYS 45 9.676 5.975 2.007 257 HZ3 LYS 45 HZ3 LYS 45 9.236 6.011 3.640 258 H ALA 46 HN ALA 46 2.045 5.040 3.505 259 HA ALA 46 HA ALA 46 1.818 4.052 6.132 260 HB1 ALA 46 HB1 ALA 46 1.147 6.310 5.596 261 HB2 ALA 46 HB2 ALA 46 -0.227 5.431 6.269 262 HB3 ALA 46 HB3 ALA 46 -0.122 5.711 4.531 263 H TYR 47 HN TYR 47 -0.343 3.625 3.323 264 HA TYR 47 HA TYR 47 -2.092 1.827 4.649 265 HB2 TYR 47 HB2 TYR 47 -2.775 3.061 2.640 266 HB3 TYR 47 HB1 TYR 47 -1.577 2.195 1.684 267 HD1 TYR 47 HD1 TYR 47 -2.263 0.326 0.486 268 HD2 TYR 47 HD2 TYR 47 -4.532 1.534 3.877 269 HE1 TYR 47 HE1 TYR 47 -3.935 -1.407 -0.021 270 HE2 TYR 47 HE2 TYR 47 -6.207 -0.198 3.378 271 HH TYR 47 HH TYR 47 -6.982 -1.577 1.651 272 H CYS 48 HN CYS 48 0.894 1.479 2.909 273 HA CYS 48 HA CYS 48 0.897 -1.274 2.427 274 HB2 CYS 48 HB2 CYS 48 2.520 0.317 1.466 275 HB3 CYS 48 HB1 CYS 48 3.230 0.544 3.056 276 HG CYS 48 HG CYS 48 4.062 -2.165 3.239 277 H GLU 49 HN GLU 49 2.199 0.555 5.199 278 HA GLU 49 HA GLU 49 2.961 -1.782 6.649 279 HB2 GLU 49 HB2 GLU 49 2.571 1.050 7.636 280 HB3 GLU 49 HB1 GLU 49 3.404 -0.235 8.500 281 HG2 GLU 49 HG2 GLU 49 4.301 0.656 5.784 282 HG3 GLU 49 HG1 GLU 49 4.805 1.502 7.247 283 H ARG 50 HN ARG 50 0.005 -0.083 6.260 284 HA ARG 50 HA ARG 50 -1.242 -0.811 8.712 285 HB2 ARG 50 HB2 ARG 50 -1.898 0.879 6.713 286 HB3 ARG 50 HB1 ARG 50 -2.898 -0.491 6.267 287 HG2 ARG 50 HG2 ARG 50 -4.177 1.062 7.576 288 HG3 ARG 50 HG1 ARG 50 -3.954 -0.417 8.501 289 HD2 ARG 50 HD2 ARG 50 -1.842 1.527 8.971 290 HD3 ARG 50 HD1 ARG 50 -3.440 2.158 9.360 291 HE ARG 50 HE ARG 50 -1.960 0.226 10.831 292 HH11 ARG 50 HH11 ARG 50 -5.259 1.075 9.868 293 HH12 ARG 50 HH12 ARG 50 -5.981 0.381 11.365 294 HH21 ARG 50 HH21 ARG 50 -4.653 -0.575 12.968 295 HH22 ARG 50 HH22 ARG 50 -2.868 -0.661 12.735 296 H GLN 51 HN GLN 51 -0.962 -2.283 5.538 297 HA GLN 51 HA GLN 51 -2.601 -4.567 6.328 298 HB2 GLN 51 HB2 GLN 51 -1.162 -4.207 3.703 299 HB3 GLN 51 HB1 GLN 51 -2.552 -5.229 4.047 300 HG2 GLN 51 HG2 GLN 51 -2.546 -2.215 4.044 301 HG3 GLN 51 HG1 GLN 51 -3.149 -3.245 2.746 302 HE21 GLN 51 HE21 GLN 51 -5.093 -4.326 3.013 303 HE22 GLN 51 HE22 GLN 51 -6.202 -3.941 4.279 304 H GLY 52 HN GLY 52 0.622 -3.628 6.426 305 HA2 GLY 52 HA2 GLY 52 2.499 -4.763 7.126 306 HA3 GLY 52 HA1 GLY 52 1.494 -6.188 7.343 307 H LEU 53 HN LEU 53 1.943 -4.340 4.382 308 HA LEU 53 HA LEU 53 3.178 -6.730 3.178 309 HB2 LEU 53 HB2 LEU 53 1.270 -4.708 2.019 310 HB3 LEU 53 HB1 LEU 53 2.230 -5.769 1.007 311 HG LEU 53 HG LEU 53 0.341 -6.803 3.114 312 HD11 LEU 53 HD11 LEU 53 -1.251 -7.203 1.305 313 HD12 LEU 53 HD12 LEU 53 -0.182 -6.372 0.174 314 HD13 LEU 53 HD13 LEU 53 -0.926 -5.483 1.504 315 HD21 LEU 53 HD21 LEU 53 2.082 -8.356 2.388 316 HD22 LEU 53 HD22 LEU 53 1.626 -8.095 0.703 317 HD23 LEU 53 HD23 LEU 53 0.498 -8.872 1.814 318 H SER 54 HN SER 54 3.965 -5.624 0.780 319 HA SER 54 HA SER 54 5.923 -3.595 1.616 320 HB2 SER 54 HB2 SER 54 7.131 -5.636 1.257 321 HB3 SER 54 HB1 SER 54 6.263 -5.956 -0.246 322 HG SER 54 HG SER 54 8.444 -4.342 0.233 323 H MET 55 HN MET 55 6.289 -1.891 0.264 324 HA MET 55 HA MET 55 4.232 -1.142 -1.521 325 HB2 MET 55 HB2 MET 55 5.607 0.469 -0.241 326 HB3 MET 55 HB1 MET 55 7.004 0.030 -1.213 327 HG2 MET 55 HG2 MET 55 5.882 0.866 -3.209 328 HG3 MET 55 HG1 MET 55 4.478 1.302 -2.240 329 HE1 MET 55 HE1 MET 55 6.380 4.645 -3.370 330 HE2 MET 55 HE2 MET 55 4.992 3.608 -3.697 331 HE3 MET 55 HE3 MET 55 6.605 3.114 -4.213 332 H ARG 56 HN ARG 56 7.038 -3.028 -1.899 333 HA ARG 56 HA ARG 56 7.352 -2.577 -4.728 334 HB2 ARG 56 HB2 ARG 56 9.246 -3.178 -3.224 335 HB3 ARG 56 HB1 ARG 56 8.515 -4.755 -2.979 336 HG2 ARG 56 HG2 ARG 56 8.909 -5.398 -5.206 337 HG3 ARG 56 HG1 ARG 56 9.266 -3.740 -5.697 338 HD2 ARG 56 HD2 ARG 56 11.320 -3.740 -4.515 339 HD3 ARG 56 HD1 ARG 56 10.925 -5.247 -3.691 340 HE ARG 56 HE ARG 56 11.485 -6.430 -5.602 341 HH11 ARG 56 HH11 ARG 56 12.526 -3.126 -7.726 342 HH12 ARG 56 HH12 ARG 56 11.604 -2.954 -6.185 343 HH21 ARG 56 HH21 ARG 56 13.111 -5.226 -8.486 344 HH22 ARG 56 HH22 ARG 56 12.654 -6.694 -7.544 345 H GLN 57 HN GLN 57 5.323 -4.453 -2.751 346 HA GLN 57 HA GLN 57 4.848 -6.460 -4.826 347 HB2 GLN 57 HB2 GLN 57 5.089 -6.978 -2.310 348 HB3 GLN 57 HB1 GLN 57 3.458 -6.340 -2.162 349 HG2 GLN 57 HG2 GLN 57 3.877 -8.392 -4.241 350 HG3 GLN 57 HG1 GLN 57 3.999 -8.927 -2.566 351 HE21 GLN 57 HE21 GLN 57 2.014 -9.561 -4.601 352 HE22 GLN 57 HE22 GLN 57 0.486 -9.111 -3.932 353 H ILE 58 HN ILE 58 3.243 -3.788 -3.179 354 HA ILE 58 HA ILE 58 0.846 -4.227 -4.805 355 HB ILE 58 HB ILE 58 -0.138 -2.389 -3.376 356 HG12 ILE 58 HG12 ILE 58 2.364 -2.905 -1.749 357 HG13 ILE 58 HG11 ILE 58 1.968 -1.407 -2.587 358 HG21 ILE 58 HG21 ILE 58 -0.701 -4.693 -3.002 359 HG22 ILE 58 HG22 ILE 58 -0.483 -3.900 -1.444 360 HG23 ILE 58 HG23 ILE 58 0.780 -4.948 -2.083 361 HD11 ILE 58 HD11 ILE 58 0.486 -2.608 -0.258 362 HD12 ILE 58 HD12 ILE 58 0.004 -1.148 -1.122 363 HD13 ILE 58 HD13 ILE 58 1.527 -1.184 -0.232 364 H ARG 59 HN ARG 59 -0.227 -2.293 -5.720 365 HA ARG 59 HA ARG 59 1.669 -0.212 -6.582 366 HB2 ARG 59 HB2 ARG 59 -0.261 -1.721 -8.359 367 HB3 ARG 59 HB1 ARG 59 0.638 -0.292 -8.853 368 HG2 ARG 59 HG2 ARG 59 1.832 -2.933 -8.030 369 HG3 ARG 59 HG1 ARG 59 1.672 -2.334 -9.681 370 HD2 ARG 59 HD2 ARG 59 3.101 -0.403 -9.066 371 HD3 ARG 59 HD1 ARG 59 3.325 -1.118 -7.472 372 HE ARG 59 HE ARG 59 4.498 -2.009 -9.975 373 HH11 ARG 59 HH11 ARG 59 5.202 -3.878 -6.447 374 HH12 ARG 59 HH12 ARG 59 3.923 -2.602 -6.554 375 HH21 ARG 59 HH21 ARG 59 6.164 -3.591 -9.857 376 HH22 ARG 59 HH22 ARG 59 6.449 -4.431 -8.286 377 H PHE 60 HN PHE 60 0.784 1.828 -6.851 378 HA PHE 60 HA PHE 60 -2.019 2.096 -5.982 379 HB2 PHE 60 HB2 PHE 60 0.394 3.811 -5.448 380 HB3 PHE 60 HB1 PHE 60 -1.237 4.450 -5.290 381 HD1 PHE 60 HD1 PHE 60 0.915 1.648 -4.119 382 HD2 PHE 60 HD2 PHE 60 -2.355 4.238 -3.281 383 HE1 PHE 60 HE1 PHE 60 0.804 0.762 -1.827 384 HE2 PHE 60 HE2 PHE 60 -2.474 3.356 -0.989 385 HZ PHE 60 HZ PHE 60 -0.887 1.617 -0.258 386 H ARG 61 HN ARG 61 -3.393 3.284 -7.201 387 HA ARG 61 HA ARG 61 -2.273 4.814 -9.446 388 HB2 ARG 61 HB2 ARG 61 -4.338 2.629 -9.592 389 HB3 ARG 61 HB1 ARG 61 -4.286 3.905 -10.798 390 HG2 ARG 61 HG2 ARG 61 -1.941 3.289 -11.286 391 HG3 ARG 61 HG1 ARG 61 -2.100 1.945 -10.153 392 HD2 ARG 61 HD2 ARG 61 -3.819 0.939 -11.495 393 HD3 ARG 61 HD1 ARG 61 -3.870 2.346 -12.557 394 HE ARG 61 HE ARG 61 -1.357 0.867 -12.359 395 HH11 ARG 61 HH11 ARG 61 -3.582 1.068 -15.739 396 HH12 ARG 61 HH12 ARG 61 -4.273 1.623 -14.169 397 HH21 ARG 61 HH21 ARG 61 -0.454 0.112 -14.327 398 HH22 ARG 61 HH22 ARG 61 -1.455 0.208 -15.825 399 H PHE 62 HN PHE 62 -3.345 6.639 -9.977 400 HA PHE 62 HA PHE 62 -5.880 7.214 -8.601 401 HB2 PHE 62 HB2 PHE 62 -4.263 8.428 -7.311 402 HB3 PHE 62 HB1 PHE 62 -3.436 8.993 -8.759 403 HD1 PHE 62 HD1 PHE 62 -6.678 9.213 -6.961 404 HD2 PHE 62 HD2 PHE 62 -3.979 11.055 -9.688 405 HE1 PHE 62 HE1 PHE 62 -8.068 11.241 -6.964 406 HE2 PHE 62 HE2 PHE 62 -5.365 13.085 -9.693 407 HZ PHE 62 HZ PHE 62 -7.412 13.180 -8.331 408 H ASP 63 HN ASP 63 -7.399 7.827 -9.986 409 HA ASP 63 HA ASP 63 -8.450 8.479 -11.895 410 HB2 ASP 63 HB2 ASP 63 -7.150 10.615 -11.239 411 HB3 ASP 63 HB1 ASP 63 -6.054 10.188 -12.547 412 H GLY 64 HN GLY 64 -6.788 6.162 -11.921 413 HA2 GLY 64 HA2 GLY 64 -6.324 4.556 -13.520 414 HA3 GLY 64 HA1 GLY 64 -6.629 5.754 -14.767 415 H GLN 65 HN GLN 65 -4.472 7.174 -12.736 416 HA GLN 65 HA GLN 65 -2.214 6.304 -14.419 417 HB2 GLN 65 HB2 GLN 65 -2.538 8.878 -12.863 418 HB3 GLN 65 HB1 GLN 65 -1.211 8.479 -13.944 419 HG2 GLN 65 HG2 GLN 65 -4.077 8.691 -14.825 420 HG3 GLN 65 HG1 GLN 65 -2.922 10.022 -14.895 421 HE21 GLN 65 HE21 GLN 65 -1.197 9.903 -16.344 422 HE22 GLN 65 HE22 GLN 65 -1.218 8.826 -17.695 423 HA PRO 66 HA PRO 66 -0.357 4.547 -10.772 424 HB2 PRO 66 HB2 PRO 66 2.224 4.456 -11.681 425 HB3 PRO 66 HB1 PRO 66 0.985 3.278 -12.134 426 HG2 PRO 66 HG2 PRO 66 1.999 5.620 -13.666 427 HG3 PRO 66 HG1 PRO 66 1.544 4.006 -14.245 428 HD2 PRO 66 HD2 PRO 66 -0.066 6.164 -14.525 429 HD3 PRO 66 HD1 PRO 66 -0.691 4.515 -14.323 430 H ILE 67 HN ILE 67 0.608 5.332 -8.959 431 HA ILE 67 HA ILE 67 1.393 8.140 -9.010 432 HB ILE 67 HB ILE 67 1.003 6.321 -6.629 433 HG12 ILE 67 HG12 ILE 67 -0.881 8.336 -7.873 434 HG13 ILE 67 HG11 ILE 67 -1.066 6.586 -7.936 435 HG21 ILE 67 HG21 ILE 67 1.163 9.329 -6.786 436 HG22 ILE 67 HG22 ILE 67 2.438 8.262 -6.192 437 HG23 ILE 67 HG23 ILE 67 0.903 8.370 -5.327 438 HD11 ILE 67 HD11 ILE 67 -1.110 8.254 -5.430 439 HD12 ILE 67 HD12 ILE 67 -1.365 6.513 -5.536 440 HD13 ILE 67 HD13 ILE 67 -2.523 7.618 -6.270 441 H ASN 68 HN ASN 68 3.379 8.908 -8.570 442 HA ASN 68 HA ASN 68 5.552 6.945 -8.341 443 HB2 ASN 68 HB2 ASN 68 5.494 9.841 -9.208 444 HB3 ASN 68 HB1 ASN 68 6.993 8.965 -8.924 445 HD21 ASN 68 HD21 ASN 68 4.275 9.394 -11.000 446 HD22 ASN 68 HD22 ASN 68 4.849 8.413 -12.307 447 H GLU 69 HN GLU 69 7.484 7.781 -7.022 448 HA GLU 69 HA GLU 69 6.564 8.256 -4.355 449 HB2 GLU 69 HB2 GLU 69 9.357 8.112 -5.499 450 HB3 GLU 69 HB1 GLU 69 8.997 8.228 -3.783 451 HG2 GLU 69 HG2 GLU 69 7.593 6.097 -4.172 452 HG3 GLU 69 HG1 GLU 69 8.527 5.954 -5.660 453 H THR 70 HN THR 70 7.318 10.299 -6.921 454 HA THR 70 HA THR 70 8.004 12.532 -5.138 455 HB THR 70 HB THR 70 8.181 13.332 -7.848 456 HG1 THR 70 HG1 THR 70 9.673 10.953 -7.405 457 HG21 THR 70 HG21 THR 70 9.571 14.122 -5.970 458 HG22 THR 70 HG22 THR 70 10.550 13.577 -7.331 459 HG23 THR 70 HG23 THR 70 10.363 12.548 -5.910 460 H ASP 71 HN ASP 71 5.260 11.313 -5.852 461 HA ASP 71 HA ASP 71 3.998 13.648 -7.074 462 HB2 ASP 71 HB2 ASP 71 3.101 10.836 -6.554 463 HB3 ASP 71 HB1 ASP 71 1.901 12.101 -6.790 464 H THR 72 HN THR 72 2.141 14.613 -6.118 465 HA THR 72 HA THR 72 1.787 14.235 -3.239 466 HB THR 72 HB THR 72 1.578 16.948 -3.399 467 HG1 THR 72 HG1 THR 72 3.805 16.239 -5.038 468 HG21 THR 72 HG21 THR 72 4.131 15.447 -2.820 469 HG22 THR 72 HG22 THR 72 2.793 15.656 -1.691 470 HG23 THR 72 HG23 THR 72 3.709 17.060 -2.242 471 HA PRO 73 HA PRO 73 -2.544 14.592 -4.111 472 HB2 PRO 73 HB2 PRO 73 -2.730 16.675 -1.994 473 HB3 PRO 73 HB1 PRO 73 -3.629 15.162 -2.165 474 HG2 PRO 73 HG2 PRO 73 -1.711 15.371 -0.350 475 HG3 PRO 73 HG1 PRO 73 -1.926 13.875 -1.281 476 HD2 PRO 73 HD2 PRO 73 0.129 16.013 -1.600 477 HD3 PRO 73 HD1 PRO 73 0.288 14.254 -1.778 478 H ALA 74 HN ALA 74 -0.987 17.725 -3.435 479 HA ALA 74 HA ALA 74 -2.846 19.205 -5.025 480 HB1 ALA 74 HB1 ALA 74 -1.285 21.089 -4.685 481 HB2 ALA 74 HB2 ALA 74 -0.153 19.978 -3.911 482 HB3 ALA 74 HB3 ALA 74 -1.728 20.283 -3.180 483 H GLN 75 HN GLN 75 -0.019 17.396 -5.698 484 HA GLN 75 HA GLN 75 0.716 18.778 -8.105 485 HB2 GLN 75 HB2 GLN 75 2.433 17.602 -6.900 486 HB3 GLN 75 HB1 GLN 75 1.514 16.107 -6.950 487 HG2 GLN 75 HG2 GLN 75 3.396 16.104 -8.515 488 HG3 GLN 75 HG1 GLN 75 1.845 15.932 -9.334 489 HE21 GLN 75 HE21 GLN 75 2.718 16.635 -11.269 490 HE22 GLN 75 HE22 GLN 75 3.102 18.299 -11.552 491 H LEU 76 HN LEU 76 -1.069 15.827 -7.299 492 HA LEU 76 HA LEU 76 -1.639 15.334 -10.108 493 HB2 LEU 76 HB2 LEU 76 -2.351 13.874 -7.575 494 HB3 LEU 76 HB1 LEU 76 -2.983 13.403 -9.138 495 HG LEU 76 HG LEU 76 -0.069 13.444 -8.345 496 HD11 LEU 76 HD11 LEU 76 -1.933 11.144 -8.909 497 HD12 LEU 76 HD12 LEU 76 -1.332 11.620 -7.322 498 HD13 LEU 76 HD13 LEU 76 -0.213 11.019 -8.546 499 HD21 LEU 76 HD21 LEU 76 -0.204 13.977 -10.666 500 HD22 LEU 76 HD22 LEU 76 -1.419 12.729 -10.940 501 HD23 LEU 76 HD23 LEU 76 0.236 12.275 -10.535 502 H GLU 77 HN GLU 77 -2.741 17.551 -8.170 503 HA GLU 77 HA GLU 77 -4.626 18.767 -7.896 504 HB2 GLU 77 HB2 GLU 77 -4.736 17.735 -10.653 505 HB3 GLU 77 HB1 GLU 77 -6.258 18.344 -10.019 506 HG2 GLU 77 HG2 GLU 77 -3.666 19.872 -10.075 507 HG3 GLU 77 HG1 GLU 77 -4.983 20.052 -11.236 508 H MET 78 HN MET 78 -4.692 16.516 -6.435 509 HA MET 78 HA MET 78 -7.172 15.093 -6.812 510 HB2 MET 78 HB2 MET 78 -5.369 15.109 -4.382 511 HB3 MET 78 HB1 MET 78 -6.579 13.902 -4.797 512 HG2 MET 78 HG2 MET 78 -5.281 13.149 -6.662 513 HG3 MET 78 HG1 MET 78 -4.127 14.463 -6.444 514 HE1 MET 78 HE1 MET 78 -5.406 11.009 -5.221 515 HE2 MET 78 HE2 MET 78 -5.860 12.024 -3.849 516 HE3 MET 78 HE3 MET 78 -4.587 10.816 -3.671 517 H GLU 79 HN GLU 79 -9.068 15.445 -5.762 518 HA GLU 79 HA GLU 79 -9.198 17.917 -4.178 519 HB2 GLU 79 HB2 GLU 79 -10.843 16.822 -6.279 520 HB3 GLU 79 HB1 GLU 79 -11.802 17.083 -4.829 521 HG2 GLU 79 HG2 GLU 79 -10.182 19.111 -6.341 522 HG3 GLU 79 HG1 GLU 79 -11.934 19.049 -6.156 523 H ASP 80 HN ASP 80 -11.366 17.763 -2.767 524 HA ASP 80 HA ASP 80 -10.717 15.951 -0.683 525 HB2 ASP 80 HB2 ASP 80 -11.830 18.237 -0.471 526 HB3 ASP 80 HB1 ASP 80 -13.324 17.439 -0.950 527 H GLU 81 HN GLU 81 -11.452 14.027 -0.203 528 HA GLU 81 HA GLU 81 -12.621 12.108 -0.165 529 HB2 GLU 81 HB2 GLU 81 -14.676 13.794 -1.552 530 HB3 GLU 81 HB1 GLU 81 -14.916 12.064 -1.335 531 HG2 GLU 81 HG2 GLU 81 -14.458 12.477 1.135 532 HG3 GLU 81 HG1 GLU 81 -14.655 14.188 0.765 533 H ASP 82 HN ASP 82 -10.799 13.012 -2.407 534 HA ASP 82 HA ASP 82 -11.641 11.598 -4.732 535 HB2 ASP 82 HB2 ASP 82 -9.412 13.210 -3.999 536 HB3 ASP 82 HB1 ASP 82 -8.778 11.670 -4.571 537 H THR 83 HN THR 83 -10.744 9.541 -5.509 538 HA THR 83 HA THR 83 -10.052 7.797 -3.238 539 HB THR 83 HB THR 83 -11.561 6.905 -5.689 540 HG1 THR 83 HG1 THR 83 -12.486 8.563 -3.966 541 HG21 THR 83 HG21 THR 83 -12.219 5.038 -4.208 542 HG22 THR 83 HG22 THR 83 -11.171 5.693 -2.949 543 HG23 THR 83 HG23 THR 83 -10.475 5.112 -4.461 544 H ILE 84 HN ILE 84 -8.324 6.590 -3.338 545 HA ILE 84 HA ILE 84 -6.780 6.484 -5.836 546 HB ILE 84 HB ILE 84 -5.821 5.791 -3.053 547 HG12 ILE 84 HG12 ILE 84 -5.405 8.410 -4.503 548 HG13 ILE 84 HG11 ILE 84 -6.624 8.174 -3.255 549 HG21 ILE 84 HG21 ILE 84 -3.590 6.134 -4.017 550 HG22 ILE 84 HG22 ILE 84 -4.329 6.455 -5.587 551 HG23 ILE 84 HG23 ILE 84 -4.481 4.859 -4.850 552 HD11 ILE 84 HD11 ILE 84 -3.639 8.001 -2.942 553 HD12 ILE 84 HD12 ILE 84 -4.798 7.571 -1.683 554 HD13 ILE 84 HD13 ILE 84 -4.720 9.228 -2.283 555 H ASP 85 HN ASP 85 -6.121 4.493 -6.679 556 HA ASP 85 HA ASP 85 -7.578 2.174 -5.617 557 HB2 ASP 85 HB2 ASP 85 -6.522 2.881 -8.336 558 HB3 ASP 85 HB1 ASP 85 -6.863 1.202 -7.924 559 H VAL 86 HN VAL 86 -6.567 0.147 -5.400 560 HA VAL 86 HA VAL 86 -3.626 0.157 -5.364 561 HB VAL 86 HB VAL 86 -5.397 -0.959 -3.176 562 HG11 VAL 86 HG11 VAL 86 -3.280 -1.527 -2.049 563 HG12 VAL 86 HG12 VAL 86 -2.399 -1.034 -3.496 564 HG13 VAL 86 HG13 VAL 86 -3.498 -2.412 -3.560 565 HG21 VAL 86 HG21 VAL 86 -4.309 0.680 -1.740 566 HG22 VAL 86 HG22 VAL 86 -5.148 1.471 -3.077 567 HG23 VAL 86 HG23 VAL 86 -3.392 1.293 -3.116 568 H PHE 87 HN PHE 87 -2.775 -1.527 -6.380 569 HA PHE 87 HA PHE 87 -4.433 -3.932 -6.761 570 HB2 PHE 87 HB2 PHE 87 -2.599 -2.651 -8.806 571 HB3 PHE 87 HB1 PHE 87 -3.451 -4.176 -9.017 572 HD1 PHE 87 HD1 PHE 87 -5.921 -4.196 -9.206 573 HD2 PHE 87 HD2 PHE 87 -3.695 -0.567 -9.113 574 HE1 PHE 87 HE1 PHE 87 -7.860 -2.980 -10.111 575 HE2 PHE 87 HE2 PHE 87 -5.632 0.650 -10.017 576 HZ PHE 87 HZ PHE 87 -7.717 -0.558 -10.517 577 H GLN 88 HN GLN 88 -3.133 -5.897 -7.213 578 HA GLN 88 HA GLN 88 -0.599 -5.792 -5.723 579 HB2 GLN 88 HB2 GLN 88 -2.674 -7.927 -6.087 580 HB3 GLN 88 HB1 GLN 88 -1.021 -8.369 -5.683 581 HG2 GLN 88 HG2 GLN 88 -1.301 -6.673 -3.750 582 HG3 GLN 88 HG1 GLN 88 -3.027 -6.868 -4.062 583 HE21 GLN 88 HE21 GLN 88 -3.379 -7.863 -2.071 584 HE22 GLN 88 HE22 GLN 88 -2.861 -9.477 -1.743 585 H GLN 89 HN GLN 89 1.257 -6.231 -6.745 586 HA GLN 89 HA GLN 89 1.183 -6.763 -9.575 587 HB2 GLN 89 HB2 GLN 89 2.810 -5.194 -8.397 588 HB3 GLN 89 HB1 GLN 89 3.643 -6.638 -7.837 589 HG2 GLN 89 HG2 GLN 89 4.763 -5.826 -9.773 590 HG3 GLN 89 HG1 GLN 89 3.930 -7.317 -10.208 591 HE21 GLN 89 HE21 GLN 89 3.796 -6.864 -12.371 592 HE22 GLN 89 HE22 GLN 89 2.792 -5.610 -13.011 593 H GLN 90 HN GLN 90 1.045 -8.723 -10.392 594 HA GLN 90 HA GLN 90 1.354 -11.092 -8.882 595 HB2 GLN 90 HB2 GLN 90 1.363 -10.824 -11.892 596 HB3 GLN 90 HB1 GLN 90 0.995 -12.271 -10.966 597 HG2 GLN 90 HG2 GLN 90 -1.135 -11.693 -11.204 598 HG3 GLN 90 HG1 GLN 90 -0.816 -10.448 -9.997 599 HE21 GLN 90 HE21 GLN 90 -2.401 -9.104 -10.906 600 HE22 GLN 90 HE22 GLN 90 -2.135 -8.258 -12.393 601 H THR 91 HN THR 91 2.939 -12.707 -9.010 602 HA THR 91 HA THR 91 5.554 -11.747 -9.955 603 HB THR 91 HB THR 91 5.284 -13.980 -7.972 604 HG1 THR 91 HG1 THR 91 4.977 -11.189 -7.474 605 HG21 THR 91 HG21 THR 91 7.300 -11.753 -8.324 606 HG22 THR 91 HG22 THR 91 7.495 -13.408 -8.894 607 HG23 THR 91 HG23 THR 91 7.413 -13.076 -7.165 608 H GLY 92 HN GLY 92 3.109 -13.700 -10.836 609 HA2 GLY 92 HA2 GLY 92 4.851 -15.322 -12.510 610 HA3 GLY 92 HA1 GLY 92 3.767 -16.188 -11.427 611 H ASN 357 HT1 ASN 357 -19.633 -3.117 5.829 612 HA ASN 357 HA ASN 357 -17.883 -1.425 4.154 613 HB2 ASN 357 HB2 ASN 357 -20.061 -0.381 4.428 614 HB3 ASN 357 HB1 ASN 357 -20.040 -0.716 6.156 615 HD21 ASN 357 HD21 ASN 357 -20.337 1.489 6.601 616 HD22 ASN 357 HD22 ASN 357 -19.045 2.628 6.455 617 H ASN 358 HN ASN 358 -15.914 -1.576 4.924 618 HA ASN 358 HA ASN 358 -15.547 -1.688 7.847 619 HB2 ASN 358 HB2 ASN 358 -14.702 -3.687 6.596 620 HB3 ASN 358 HB1 ASN 358 -13.607 -2.624 5.721 621 HD21 ASN 358 HD21 ASN 358 -11.760 -1.933 6.696 622 HD22 ASN 358 HD22 ASN 358 -11.236 -2.466 8.255 623 H ARG 359 HN ARG 359 -14.537 0.001 8.744 624 HA ARG 359 HA ARG 359 -13.221 1.883 6.910 625 HB2 ARG 359 HB2 ARG 359 -13.873 3.681 8.515 626 HB3 ARG 359 HB1 ARG 359 -15.234 2.916 7.715 627 HG2 ARG 359 HG2 ARG 359 -15.681 1.598 9.721 628 HG3 ARG 359 HG1 ARG 359 -14.289 2.334 10.516 629 HD2 ARG 359 HD2 ARG 359 -15.324 4.522 10.361 630 HD3 ARG 359 HD1 ARG 359 -16.695 3.835 9.491 631 HE ARG 359 HE ARG 359 -16.602 2.442 11.832 632 HH11 ARG 359 HH11 ARG 359 -17.719 6.285 12.441 633 HH12 ARG 359 HH12 ARG 359 -16.823 5.834 10.942 634 HH21 ARG 359 HH21 ARG 359 -17.747 2.964 13.730 635 HH22 ARG 359 HH22 ARG 359 -18.212 4.682 14.019 636 H ASP 360 HN ASP 360 -11.242 2.312 7.260 637 HA ASP 360 HA ASP 360 -10.021 1.660 9.851 638 HB2 ASP 360 HB2 ASP 360 -9.399 0.079 7.951 639 HB3 ASP 360 HB1 ASP 360 -8.601 1.453 7.195 640 HA PRO 361 HA PRO 361 -8.676 5.850 9.201 641 HB2 PRO 361 HB2 PRO 361 -8.180 6.431 11.746 642 HB3 PRO 361 HB1 PRO 361 -9.822 6.015 11.232 643 HG2 PRO 361 HG2 PRO 361 -7.943 4.444 12.858 644 HG3 PRO 361 HG1 PRO 361 -9.702 4.303 12.718 645 HD2 PRO 361 HD2 PRO 361 -7.636 2.768 11.320 646 HD3 PRO 361 HD1 PRO 361 -9.398 2.498 11.383 647 H ILE 362 HN ILE 362 -6.844 6.549 8.436 648 HA ILE 362 HA ILE 362 -4.339 5.697 9.706 649 HB ILE 362 HB ILE 362 -4.668 6.397 6.777 650 HG12 ILE 362 HG12 ILE 362 -4.657 3.755 8.232 651 HG13 ILE 362 HG11 ILE 362 -5.829 4.343 7.062 652 HG21 ILE 362 HG21 ILE 362 -2.413 5.546 6.544 653 HG22 ILE 362 HG22 ILE 362 -2.360 5.126 8.254 654 HG23 ILE 362 HG23 ILE 362 -2.433 6.817 7.764 655 HD11 ILE 362 HD11 ILE 362 -4.206 4.079 5.279 656 HD12 ILE 362 HD12 ILE 362 -4.436 2.568 6.154 657 HD13 ILE 362 HD13 ILE 362 -2.997 3.545 6.445 658 H VAL 363 HN VAL 363 -3.086 7.243 10.422 659 HA VAL 363 HA VAL 363 -3.743 10.019 9.696 660 HB VAL 363 HB VAL 363 -2.536 9.169 12.331 661 HG11 VAL 363 HG11 VAL 363 -3.594 11.495 12.887 662 HG12 VAL 363 HG12 VAL 363 -3.509 11.730 11.142 663 HG13 VAL 363 HG13 VAL 363 -2.039 11.406 12.061 664 HG21 VAL 363 HG21 VAL 363 -4.778 9.549 13.307 665 HG22 VAL 363 HG22 VAL 363 -4.742 8.178 12.197 666 HG23 VAL 363 HG23 VAL 363 -5.430 9.716 11.674 667 H ILE 364 HN ILE 364 -2.174 11.319 9.160 668 HA ILE 364 HA ILE 364 0.488 10.155 8.844 669 HB ILE 364 HB ILE 364 -1.220 11.677 7.004 670 HG12 ILE 364 HG12 ILE 364 -0.633 9.733 5.994 671 HG13 ILE 364 HG11 ILE 364 0.773 10.666 5.484 672 HG21 ILE 364 HG21 ILE 364 1.632 12.542 7.401 673 HG22 ILE 364 HG22 ILE 364 0.178 13.537 7.356 674 HG23 ILE 364 HG23 ILE 364 0.768 12.773 5.883 675 HD11 ILE 364 HD11 ILE 364 1.648 8.663 6.280 676 HD12 ILE 364 HD12 ILE 364 0.567 8.635 7.664 677 HD13 ILE 364 HD13 ILE 364 1.889 9.797 7.599 678 H SEP 365 HN SEP 365 2.225 11.261 9.509 679 HA SEP 365 HA SEP 365 1.710 13.629 11.159 680 HB2 SEP 365 HB1 SEP 365 3.228 12.670 12.570 681 HB3 SEP 365 HB2 SEP 365 4.405 12.527 11.262 682 H ASP 366 HN ASP 366 2.490 15.538 10.524 683 HA ASP 366 HA ASP 366 4.012 15.557 8.011 684 HB2 ASP 366 HB2 ASP 366 1.659 16.344 7.872 685 HB3 ASP 366 HB1 ASP 366 2.032 17.600 9.045 686 H SEP 367 HN SEP 367 5.896 16.529 7.974 687 HA SEP 367 HA SEP 367 7.094 17.620 10.281 688 HB2 SEP 367 HB1 SEP 367 8.918 17.114 9.073 689 HB3 SEP 367 HB2 SEP 367 8.503 18.366 7.902 690 HA PRO 368 HA PRO 368 5.372 21.726 9.872 691 HB2 PRO 368 HB2 PRO 368 6.993 22.862 11.781 692 HB3 PRO 368 HB1 PRO 368 5.490 22.001 12.129 693 HG2 PRO 368 HG2 PRO 368 8.293 21.041 12.332 694 HG3 PRO 368 HG1 PRO 368 6.903 20.694 13.374 695 HD2 PRO 368 HD2 PRO 368 7.810 18.924 11.555 696 HD3 PRO 368 HD1 PRO 368 6.093 19.056 11.983 Start of MODEL 11 1 H ASP 16 HT1 ASP 16 -4.459 23.328 5.088 2 HA ASP 16 HA ASP 16 -6.794 22.512 6.705 3 HB2 ASP 16 HB2 ASP 16 -6.730 23.089 3.734 4 HB3 ASP 16 HB1 ASP 16 -8.134 22.667 4.707 5 H HIS 17 HN HIS 17 -7.061 20.357 6.749 6 HA HIS 17 HA HIS 17 -5.159 18.702 5.310 7 HB2 HIS 17 HB2 HIS 17 -7.113 18.229 7.535 8 HB3 HIS 17 HB1 HIS 17 -6.501 16.860 6.615 9 HD2 HIS 17 HD2 HIS 17 -3.721 16.399 6.877 10 HE1 HIS 17 HE1 HIS 17 -3.380 18.825 10.325 11 HE2 HIS 17 HE2 HIS 17 -2.332 16.937 8.997 12 H ILE 18 HN ILE 18 -5.743 17.039 3.868 13 HA ILE 18 HA ILE 18 -8.365 17.489 2.607 14 HB ILE 18 HB ILE 18 -6.450 18.046 1.178 15 HG12 ILE 18 HG12 ILE 18 -7.840 15.541 0.211 16 HG13 ILE 18 HG11 ILE 18 -8.548 17.154 0.190 17 HG21 ILE 18 HG21 ILE 18 -4.962 16.268 0.338 18 HG22 ILE 18 HG22 ILE 18 -5.675 15.153 1.504 19 HG23 ILE 18 HG23 ILE 18 -4.773 16.561 2.066 20 HD11 ILE 18 HD11 ILE 18 -6.099 16.267 -1.318 21 HD12 ILE 18 HD12 ILE 18 -6.759 17.902 -1.317 22 HD13 ILE 18 HD13 ILE 18 -7.700 16.573 -1.997 23 H ASN 19 HN ASN 19 -9.776 15.846 2.380 24 HA ASN 19 HA ASN 19 -9.180 13.358 3.743 25 HB2 ASN 19 HB2 ASN 19 -11.680 14.404 2.400 26 HB3 ASN 19 HB1 ASN 19 -11.574 12.807 3.133 27 HD21 ASN 19 HD21 ASN 19 -11.746 16.210 3.681 28 HD22 ASN 19 HD22 ASN 19 -12.010 16.132 5.394 29 H LEU 20 HN LEU 20 -8.007 11.909 2.646 30 HA LEU 20 HA LEU 20 -8.633 11.502 -0.194 31 HB2 LEU 20 HB2 LEU 20 -6.211 10.676 1.409 32 HB3 LEU 20 HB1 LEU 20 -6.461 10.305 -0.287 33 HG LEU 20 HG LEU 20 -6.143 13.064 0.900 34 HD11 LEU 20 HD11 LEU 20 -4.328 11.458 -0.890 35 HD12 LEU 20 HD12 LEU 20 -4.063 11.790 0.822 36 HD13 LEU 20 HD13 LEU 20 -4.051 13.113 -0.346 37 HD21 LEU 20 HD21 LEU 20 -6.023 13.728 -1.535 38 HD22 LEU 20 HD22 LEU 20 -7.619 13.287 -0.931 39 HD23 LEU 20 HD23 LEU 20 -6.700 12.141 -1.906 40 H LYS 21 HN LYS 21 -9.685 9.750 -0.797 41 HA LYS 21 HA LYS 21 -10.248 7.700 1.214 42 HB2 LYS 21 HB2 LYS 21 -11.556 8.370 -1.422 43 HB3 LYS 21 HB1 LYS 21 -12.003 6.985 -0.440 44 HG2 LYS 21 HG2 LYS 21 -12.674 8.454 1.370 45 HG3 LYS 21 HG1 LYS 21 -12.176 9.862 0.425 46 HD2 LYS 21 HD2 LYS 21 -13.822 9.248 -1.305 47 HD3 LYS 21 HD1 LYS 21 -14.343 7.891 -0.304 48 HE2 LYS 21 HE2 LYS 21 -15.128 9.361 1.402 49 HE3 LYS 21 HE1 LYS 21 -14.411 10.760 0.606 50 HZ1 LYS 21 HZ1 LYS 21 -16.632 10.886 0.030 51 HZ2 LYS 21 HZ2 LYS 21 -16.792 9.213 -0.184 52 HZ3 LYS 21 HZ3 LYS 21 -15.948 10.128 -1.327 53 H VAL 22 HN VAL 22 -9.030 5.943 1.182 54 HA VAL 22 HA VAL 22 -7.944 5.035 -1.401 55 HB VAL 22 HB VAL 22 -7.010 4.338 1.391 56 HG11 VAL 22 HG11 VAL 22 -6.619 2.537 -0.213 57 HG12 VAL 22 HG12 VAL 22 -5.106 3.290 0.294 58 HG13 VAL 22 HG13 VAL 22 -5.795 3.672 -1.283 59 HG21 VAL 22 HG21 VAL 22 -5.119 5.743 0.980 60 HG22 VAL 22 HG22 VAL 22 -6.581 6.687 0.698 61 HG23 VAL 22 HG23 VAL 22 -5.656 6.066 -0.670 62 H ALA 23 HN ALA 23 -8.603 3.105 -2.198 63 HA ALA 23 HA ALA 23 -10.188 1.395 -0.399 64 HB1 ALA 23 HB1 ALA 23 -11.700 0.898 -2.259 65 HB2 ALA 23 HB2 ALA 23 -10.812 2.032 -3.278 66 HB3 ALA 23 HB3 ALA 23 -11.695 2.619 -1.870 67 H GLY 24 HN GLY 24 -9.259 -0.504 -0.164 68 HA2 GLY 24 HA2 GLY 24 -7.379 -1.472 -2.171 69 HA3 GLY 24 HA1 GLY 24 -7.676 -2.185 -0.587 70 H GLN 25 HN GLN 25 -7.515 -3.690 -2.981 71 HA GLN 25 HA GLN 25 -10.101 -4.246 -4.040 72 HB2 GLN 25 HB2 GLN 25 -7.758 -6.145 -4.058 73 HB3 GLN 25 HB1 GLN 25 -9.083 -6.053 -5.211 74 HG2 GLN 25 HG2 GLN 25 -6.796 -4.135 -4.864 75 HG3 GLN 25 HG1 GLN 25 -7.169 -5.147 -6.260 76 HE21 GLN 25 HE21 GLN 25 -6.872 -2.201 -5.817 77 HE22 GLN 25 HE22 GLN 25 -8.303 -1.497 -6.504 78 H ASP 26 HN ASP 26 -8.676 -4.944 -1.115 79 HA ASP 26 HA ASP 26 -10.071 -7.450 -0.662 80 HB2 ASP 26 HB2 ASP 26 -8.970 -7.404 1.541 81 HB3 ASP 26 HB1 ASP 26 -7.807 -7.194 0.238 82 H GLY 27 HN GLY 27 -11.022 -4.371 -0.791 83 HA2 GLY 27 HA2 GLY 27 -13.029 -3.431 -0.118 84 HA3 GLY 27 HA1 GLY 27 -13.332 -4.858 0.864 85 H SER 28 HN SER 28 -10.900 -2.262 0.792 86 HA SER 28 HA SER 28 -11.414 -1.858 3.667 87 HB2 SER 28 HB2 SER 28 -8.912 -1.082 3.625 88 HB3 SER 28 HB1 SER 28 -9.271 -2.806 3.667 89 HG SER 28 HG SER 28 -8.496 -3.031 1.697 90 H VAL 29 HN VAL 29 -12.506 0.017 3.813 91 HA VAL 29 HA VAL 29 -11.905 2.216 2.006 92 HB VAL 29 HB VAL 29 -13.893 2.022 4.287 93 HG11 VAL 29 HG11 VAL 29 -13.328 4.312 4.073 94 HG12 VAL 29 HG12 VAL 29 -14.863 4.094 3.227 95 HG13 VAL 29 HG13 VAL 29 -13.361 4.228 2.312 96 HG21 VAL 29 HG21 VAL 29 -14.203 1.802 1.298 97 HG22 VAL 29 HG22 VAL 29 -15.557 2.053 2.402 98 HG23 VAL 29 HG23 VAL 29 -14.582 0.587 2.520 99 H VAL 30 HN VAL 30 -9.940 3.034 2.504 100 HA VAL 30 HA VAL 30 -9.283 3.517 5.312 101 HB VAL 30 HB VAL 30 -7.305 4.272 3.259 102 HG11 VAL 30 HG11 VAL 30 -5.796 3.655 4.846 103 HG12 VAL 30 HG12 VAL 30 -6.807 2.353 5.463 104 HG13 VAL 30 HG13 VAL 30 -7.177 4.025 5.879 105 HG21 VAL 30 HG21 VAL 30 -8.077 1.382 3.674 106 HG22 VAL 30 HG22 VAL 30 -6.621 1.935 2.848 107 HG23 VAL 30 HG23 VAL 30 -8.209 2.296 2.171 108 H GLN 31 HN GLN 31 -9.486 5.422 6.198 109 HA GLN 31 HA GLN 31 -10.018 7.760 4.516 110 HB2 GLN 31 HB2 GLN 31 -11.493 7.026 6.504 111 HB3 GLN 31 HB1 GLN 31 -10.203 7.646 7.522 112 HG2 GLN 31 HG2 GLN 31 -10.528 9.848 6.782 113 HG3 GLN 31 HG1 GLN 31 -11.516 9.331 5.414 114 HE21 GLN 31 HE21 GLN 31 -12.155 11.252 7.477 115 HE22 GLN 31 HE22 GLN 31 -13.582 10.674 8.265 116 H PHE 32 HN PHE 32 -8.139 8.630 3.874 117 HA PHE 32 HA PHE 32 -5.898 8.806 5.736 118 HB2 PHE 32 HB2 PHE 32 -6.237 8.867 2.811 119 HB3 PHE 32 HB1 PHE 32 -5.007 9.957 3.439 120 HD1 PHE 32 HD1 PHE 32 -6.049 6.431 3.220 121 HD2 PHE 32 HD2 PHE 32 -2.941 9.148 4.241 122 HE1 PHE 32 HE1 PHE 32 -4.457 4.561 3.332 123 HE2 PHE 32 HE2 PHE 32 -1.343 7.283 4.358 124 HZ PHE 32 HZ PHE 32 -2.100 4.984 3.900 125 H LYS 33 HN LYS 33 -5.667 10.535 6.954 126 HA LYS 33 HA LYS 33 -6.677 13.123 5.999 127 HB2 LYS 33 HB2 LYS 33 -7.625 12.466 8.139 128 HB3 LYS 33 HB1 LYS 33 -6.023 12.162 8.793 129 HG2 LYS 33 HG2 LYS 33 -5.582 14.650 8.289 130 HG3 LYS 33 HG1 LYS 33 -7.340 14.779 8.181 131 HD2 LYS 33 HD2 LYS 33 -7.623 14.125 10.428 132 HD3 LYS 33 HD1 LYS 33 -5.960 13.544 10.549 133 HE2 LYS 33 HE2 LYS 33 -5.245 15.937 10.134 134 HE3 LYS 33 HE1 LYS 33 -6.930 16.386 10.393 135 HZ1 LYS 33 HZ1 LYS 33 -5.705 16.607 12.434 136 HZ2 LYS 33 HZ2 LYS 33 -5.159 15.010 12.337 137 HZ3 LYS 33 HZ3 LYS 33 -6.798 15.326 12.586 138 H ILE 34 HN ILE 34 -4.981 13.800 4.751 139 HA ILE 34 HA ILE 34 -2.487 14.331 6.188 140 HB ILE 34 HB ILE 34 -1.118 13.234 4.759 141 HG12 ILE 34 HG12 ILE 34 -3.023 13.955 2.534 142 HG13 ILE 34 HG11 ILE 34 -1.419 14.604 2.849 143 HG21 ILE 34 HG21 ILE 34 -2.037 11.179 3.839 144 HG22 ILE 34 HG22 ILE 34 -3.669 11.827 3.986 145 HG23 ILE 34 HG23 ILE 34 -2.715 11.513 5.433 146 HD11 ILE 34 HD11 ILE 34 -1.427 13.087 0.944 147 HD12 ILE 34 HD12 ILE 34 -2.005 11.787 1.982 148 HD13 ILE 34 HD13 ILE 34 -0.412 12.486 2.251 149 H LYS 35 HN LYS 35 -1.088 15.944 4.769 150 HA LYS 35 HA LYS 35 -2.835 18.168 4.159 151 HB2 LYS 35 HB2 LYS 35 0.179 17.931 4.110 152 HB3 LYS 35 HB1 LYS 35 -0.703 19.418 3.804 153 HG2 LYS 35 HG2 LYS 35 -1.642 19.282 6.085 154 HG3 LYS 35 HG1 LYS 35 -0.643 17.855 6.376 155 HD2 LYS 35 HD2 LYS 35 1.329 19.334 5.669 156 HD3 LYS 35 HD1 LYS 35 0.226 20.691 5.891 157 HE2 LYS 35 HE2 LYS 35 0.064 20.348 8.177 158 HE3 LYS 35 HE1 LYS 35 0.563 18.662 8.060 159 HZ1 LYS 35 HZ1 LYS 35 2.801 19.530 7.362 160 HZ2 LYS 35 HZ2 LYS 35 2.373 19.841 8.971 161 HZ3 LYS 35 HZ3 LYS 35 2.270 21.073 7.818 162 H ARG 36 HN ARG 36 -2.235 19.534 2.167 163 HA ARG 36 HA ARG 36 -2.619 17.842 -0.138 164 HB2 ARG 36 HB2 ARG 36 -2.373 20.850 0.042 165 HB3 ARG 36 HB1 ARG 36 -2.867 19.949 -1.381 166 HG2 ARG 36 HG2 ARG 36 -4.830 19.128 -0.175 167 HG3 ARG 36 HG1 ARG 36 -4.341 20.064 1.239 168 HD2 ARG 36 HD2 ARG 36 -6.039 21.262 -0.006 169 HD3 ARG 36 HD1 ARG 36 -4.506 22.124 -0.092 170 HE ARG 36 HE ARG 36 -4.275 21.421 -2.354 171 HH11 ARG 36 HH11 ARG 36 -7.386 20.624 -0.898 172 HH12 ARG 36 HH12 ARG 36 -8.216 20.464 -2.497 173 HH21 ARG 36 HH21 ARG 36 -5.285 21.165 -4.383 174 HH22 ARG 36 HH22 ARG 36 -7.032 20.722 -4.438 175 H HIS 37 HN HIS 37 -0.008 19.623 1.305 176 HA HIS 37 HA HIS 37 1.651 19.385 -1.069 177 HB2 HIS 37 HB2 HIS 37 3.077 20.907 -0.100 178 HB3 HIS 37 HB1 HIS 37 1.596 21.327 0.751 179 HD2 HIS 37 HD2 HIS 37 1.459 20.024 3.394 180 HE1 HIS 37 HE1 HIS 37 5.680 19.984 3.674 181 HE2 HIS 37 HE2 HIS 37 3.518 19.447 4.872 182 H THR 38 HN THR 38 0.898 17.541 1.645 183 HA THR 38 HA THR 38 3.299 16.256 2.251 184 HB THR 38 HB THR 38 0.451 15.272 2.437 185 HG1 THR 38 HG1 THR 38 2.211 16.289 4.452 186 HG21 THR 38 HG21 THR 38 1.131 13.449 3.695 187 HG22 THR 38 HG22 THR 38 2.701 14.164 4.060 188 HG23 THR 38 HG23 THR 38 2.378 13.518 2.450 189 HA PRO 39 HA PRO 39 4.047 13.993 -1.544 190 HB2 PRO 39 HB2 PRO 39 5.728 12.340 0.259 191 HB3 PRO 39 HB1 PRO 39 6.161 13.167 -1.243 192 HG2 PRO 39 HG2 PRO 39 6.973 14.113 1.106 193 HG3 PRO 39 HG1 PRO 39 6.486 15.200 -0.210 194 HD2 PRO 39 HD2 PRO 39 4.989 14.424 2.251 195 HD3 PRO 39 HD1 PRO 39 5.064 15.990 1.414 196 H LEU 40 HN LEU 40 3.113 12.241 -2.435 197 HA LEU 40 HA LEU 40 1.265 10.730 -0.899 198 HB2 LEU 40 HB2 LEU 40 2.192 10.556 -3.748 199 HB3 LEU 40 HB1 LEU 40 1.067 9.392 -3.075 200 HG LEU 40 HG LEU 40 0.638 12.360 -3.406 201 HD11 LEU 40 HD11 LEU 40 -1.184 11.684 -4.848 202 HD12 LEU 40 HD12 LEU 40 -0.831 9.985 -4.534 203 HD13 LEU 40 HD13 LEU 40 0.331 10.980 -5.410 204 HD21 LEU 40 HD21 LEU 40 -0.992 10.317 -1.917 205 HD22 LEU 40 HD22 LEU 40 -1.664 11.838 -2.505 206 HD23 LEU 40 HD23 LEU 40 -0.357 11.849 -1.320 207 H SER 41 HN SER 41 4.549 10.417 -1.179 208 HA SER 41 HA SER 41 4.885 7.615 -1.288 209 HB2 SER 41 HB2 SER 41 6.943 8.689 0.308 210 HB3 SER 41 HB1 SER 41 6.999 8.379 -1.429 211 HG SER 41 HG SER 41 6.850 10.443 -1.801 212 H LYS 42 HN LYS 42 4.195 9.921 1.250 213 HA LYS 42 HA LYS 42 4.546 8.300 3.521 214 HB2 LYS 42 HB2 LYS 42 3.200 10.826 2.857 215 HB3 LYS 42 HB1 LYS 42 2.409 9.940 4.147 216 HG2 LYS 42 HG2 LYS 42 4.433 9.963 5.460 217 HG3 LYS 42 HG1 LYS 42 5.316 10.730 4.137 218 HD2 LYS 42 HD2 LYS 42 3.903 12.694 4.291 219 HD3 LYS 42 HD1 LYS 42 2.923 11.929 5.548 220 HE2 LYS 42 HE2 LYS 42 4.361 12.567 7.135 221 HE3 LYS 42 HE1 LYS 42 5.733 11.912 6.244 222 HZ1 LYS 42 HZ1 LYS 42 5.992 14.287 6.612 223 HZ2 LYS 42 HZ2 LYS 42 4.518 14.603 5.836 224 HZ3 LYS 42 HZ3 LYS 42 5.818 13.971 4.956 225 H LEU 43 HN LEU 43 1.856 8.830 1.350 226 HA LEU 43 HA LEU 43 -0.121 7.394 2.725 227 HB2 LEU 43 HB2 LEU 43 -0.153 9.031 0.640 228 HB3 LEU 43 HB1 LEU 43 -0.133 7.516 -0.243 229 HG LEU 43 HG LEU 43 -2.127 7.765 1.933 230 HD11 LEU 43 HD11 LEU 43 -2.248 9.960 0.858 231 HD12 LEU 43 HD12 LEU 43 -3.681 8.992 0.513 232 HD13 LEU 43 HD13 LEU 43 -2.429 9.182 -0.715 233 HD21 LEU 43 HD21 LEU 43 -2.171 6.644 -0.871 234 HD22 LEU 43 HD22 LEU 43 -3.496 6.546 0.289 235 HD23 LEU 43 HD23 LEU 43 -1.968 5.727 0.624 236 H MET 44 HN MET 44 1.995 6.432 0.041 237 HA MET 44 HA MET 44 1.014 3.821 -0.218 238 HB2 MET 44 HB2 MET 44 3.698 5.016 -0.900 239 HB3 MET 44 HB1 MET 44 3.258 3.359 -1.302 240 HG2 MET 44 HG2 MET 44 1.260 4.329 -2.512 241 HG3 MET 44 HG1 MET 44 2.027 5.903 -2.316 242 HE1 MET 44 HE1 MET 44 4.015 6.757 -3.624 243 HE2 MET 44 HE2 MET 44 5.133 5.748 -4.544 244 HE3 MET 44 HE3 MET 44 5.037 5.587 -2.789 245 H LYS 45 HN LYS 45 3.679 5.095 1.735 246 HA LYS 45 HA LYS 45 4.522 2.581 2.726 247 HB2 LYS 45 HB2 LYS 45 4.919 5.382 3.770 248 HB3 LYS 45 HB1 LYS 45 5.667 3.965 4.492 249 HG2 LYS 45 HG2 LYS 45 6.794 3.496 2.356 250 HG3 LYS 45 HG1 LYS 45 6.082 4.964 1.683 251 HD2 LYS 45 HD2 LYS 45 7.803 4.966 4.153 252 HD3 LYS 45 HD1 LYS 45 8.462 5.156 2.526 253 HE2 LYS 45 HE2 LYS 45 7.164 7.157 2.183 254 HE3 LYS 45 HE1 LYS 45 6.331 6.926 3.719 255 HZ1 LYS 45 HZ1 LYS 45 8.248 7.454 4.916 256 HZ2 LYS 45 HZ2 LYS 45 8.229 8.587 3.661 257 HZ3 LYS 45 HZ3 LYS 45 9.262 7.252 3.579 258 H ALA 46 HN ALA 46 2.298 5.037 3.986 259 HA ALA 46 HA ALA 46 1.837 3.874 6.495 260 HB1 ALA 46 HB1 ALA 46 1.178 6.163 5.880 261 HB2 ALA 46 HB2 ALA 46 -0.147 5.250 6.602 262 HB3 ALA 46 HB3 ALA 46 -0.098 5.502 4.857 263 H TYR 47 HN TYR 47 0.048 3.494 3.434 264 HA TYR 47 HA TYR 47 -1.868 1.677 4.451 265 HB2 TYR 47 HB2 TYR 47 -2.155 2.919 2.325 266 HB3 TYR 47 HB1 TYR 47 -0.866 1.960 1.607 267 HD1 TYR 47 HD1 TYR 47 -1.333 -0.119 0.611 268 HD2 TYR 47 HD2 TYR 47 -4.251 1.708 3.110 269 HE1 TYR 47 HE1 TYR 47 -2.975 -1.819 -0.070 270 HE2 TYR 47 HE2 TYR 47 -5.900 0.010 2.437 271 HH TYR 47 HH TYR 47 -6.341 -1.573 0.765 272 H CYS 48 HN CYS 48 1.323 1.283 3.070 273 HA CYS 48 HA CYS 48 1.329 -1.489 2.680 274 HB2 CYS 48 HB2 CYS 48 3.038 0.208 1.882 275 HB3 CYS 48 HB1 CYS 48 3.704 0.184 3.509 276 HG CYS 48 HG CYS 48 4.292 -2.605 3.383 277 H GLU 49 HN GLU 49 2.299 0.468 5.470 278 HA GLU 49 HA GLU 49 3.064 -1.711 7.109 279 HB2 GLU 49 HB2 GLU 49 2.262 1.119 7.795 280 HB3 GLU 49 HB1 GLU 49 2.922 -0.025 8.956 281 HG2 GLU 49 HG2 GLU 49 4.337 0.883 6.462 282 HG3 GLU 49 HG1 GLU 49 4.579 1.580 8.062 283 H ARG 50 HN ARG 50 0.033 -0.014 6.599 284 HA ARG 50 HA ARG 50 -1.392 -1.017 8.812 285 HB2 ARG 50 HB2 ARG 50 -1.955 0.829 6.981 286 HB3 ARG 50 HB1 ARG 50 -2.812 -0.516 6.243 287 HG2 ARG 50 HG2 ARG 50 -4.432 0.542 7.521 288 HG3 ARG 50 HG1 ARG 50 -3.932 -0.805 8.543 289 HD2 ARG 50 HD2 ARG 50 -2.293 1.528 8.992 290 HD3 ARG 50 HD1 ARG 50 -4.001 1.886 9.223 291 HE ARG 50 HE ARG 50 -2.386 -0.006 10.761 292 HH11 ARG 50 HH11 ARG 50 -5.533 1.425 10.096 293 HH12 ARG 50 HH12 ARG 50 -6.115 1.185 11.792 294 HH21 ARG 50 HH21 ARG 50 -4.779 0.158 13.348 295 HH22 ARG 50 HH22 ARG 50 -3.120 -0.391 12.895 296 H GLN 51 HN GLN 51 -1.095 -2.199 5.485 297 HA GLN 51 HA GLN 51 -2.780 -4.483 6.011 298 HB2 GLN 51 HB2 GLN 51 -1.107 -3.676 3.630 299 HB3 GLN 51 HB1 GLN 51 -2.052 -5.156 3.683 300 HG2 GLN 51 HG2 GLN 51 -3.301 -2.475 4.155 301 HG3 GLN 51 HG1 GLN 51 -3.068 -3.118 2.531 302 HE21 GLN 51 HE21 GLN 51 -5.293 -3.198 2.165 303 HE22 GLN 51 HE22 GLN 51 -6.308 -4.397 2.904 304 H GLY 52 HN GLY 52 0.601 -3.742 6.101 305 HA2 GLY 52 HA2 GLY 52 2.310 -4.991 7.041 306 HA3 GLY 52 HA1 GLY 52 1.171 -6.309 7.287 307 H LEU 53 HN LEU 53 2.200 -4.586 4.371 308 HA LEU 53 HA LEU 53 3.211 -7.132 3.290 309 HB2 LEU 53 HB2 LEU 53 1.653 -5.079 1.712 310 HB3 LEU 53 HB1 LEU 53 2.248 -6.621 1.129 311 HG LEU 53 HG LEU 53 0.205 -6.423 3.334 312 HD11 LEU 53 HD11 LEU 53 -1.494 -6.865 1.625 313 HD12 LEU 53 HD12 LEU 53 -0.271 -6.684 0.367 314 HD13 LEU 53 HD13 LEU 53 -0.706 -5.305 1.378 315 HD21 LEU 53 HD21 LEU 53 1.419 -8.541 3.135 316 HD22 LEU 53 HD22 LEU 53 0.953 -8.648 1.437 317 HD23 LEU 53 HD23 LEU 53 -0.279 -8.723 2.697 318 H SER 54 HN SER 54 4.117 -6.223 0.872 319 HA SER 54 HA SER 54 6.160 -4.261 1.655 320 HB2 SER 54 HB2 SER 54 7.056 -6.480 1.070 321 HB3 SER 54 HB1 SER 54 6.257 -6.398 -0.498 322 HG SER 54 HG SER 54 8.580 -5.776 -0.342 323 H MET 55 HN MET 55 6.477 -2.446 0.410 324 HA MET 55 HA MET 55 4.339 -1.530 -1.199 325 HB2 MET 55 HB2 MET 55 6.071 -0.157 0.135 326 HB3 MET 55 HB1 MET 55 7.114 -0.360 -1.265 327 HG2 MET 55 HG2 MET 55 5.454 0.734 -2.674 328 HG3 MET 55 HG1 MET 55 4.388 0.917 -1.285 329 HE1 MET 55 HE1 MET 55 7.560 2.112 -3.136 330 HE2 MET 55 HE2 MET 55 8.317 1.450 -1.687 331 HE3 MET 55 HE3 MET 55 8.337 3.191 -1.975 332 H ARG 56 HN ARG 56 7.066 -3.431 -1.845 333 HA ARG 56 HA ARG 56 7.331 -2.852 -4.634 334 HB2 ARG 56 HB2 ARG 56 9.149 -3.756 -3.176 335 HB3 ARG 56 HB1 ARG 56 8.269 -5.273 -3.083 336 HG2 ARG 56 HG2 ARG 56 8.511 -5.580 -5.482 337 HG3 ARG 56 HG1 ARG 56 9.347 -4.030 -5.605 338 HD2 ARG 56 HD2 ARG 56 11.117 -4.874 -4.136 339 HD3 ARG 56 HD1 ARG 56 10.279 -6.419 -4.018 340 HE ARG 56 HE ARG 56 10.816 -6.852 -6.283 341 HH11 ARG 56 HH11 ARG 56 13.526 -3.839 -6.303 342 HH12 ARG 56 HH12 ARG 56 12.212 -3.853 -5.069 343 HH21 ARG 56 HH21 ARG 56 13.644 -5.503 -7.889 344 HH22 ARG 56 HH22 ARG 56 12.444 -6.848 -7.880 345 H GLN 57 HN GLN 57 5.093 -4.613 -2.799 346 HA GLN 57 HA GLN 57 4.414 -6.392 -5.035 347 HB2 GLN 57 HB2 GLN 57 4.752 -7.343 -2.746 348 HB3 GLN 57 HB1 GLN 57 3.348 -6.432 -2.210 349 HG2 GLN 57 HG2 GLN 57 1.924 -7.664 -3.728 350 HG3 GLN 57 HG1 GLN 57 3.320 -8.524 -4.374 351 HE21 GLN 57 HE21 GLN 57 0.907 -9.550 -3.071 352 HE22 GLN 57 HE22 GLN 57 1.469 -10.495 -1.732 353 H ILE 58 HN ILE 58 3.164 -3.692 -3.184 354 HA ILE 58 HA ILE 58 0.552 -3.938 -4.470 355 HB ILE 58 HB ILE 58 -0.037 -1.937 -3.038 356 HG12 ILE 58 HG12 ILE 58 2.631 -2.613 -1.780 357 HG13 ILE 58 HG11 ILE 58 2.228 -1.119 -2.615 358 HG21 ILE 58 HG21 ILE 58 -0.766 -4.137 -2.423 359 HG22 ILE 58 HG22 ILE 58 -0.211 -3.307 -0.968 360 HG23 ILE 58 HG23 ILE 58 0.814 -4.517 -1.739 361 HD11 ILE 58 HD11 ILE 58 1.178 -2.102 0.018 362 HD12 ILE 58 HD12 ILE 58 0.474 -0.739 -0.853 363 HD13 ILE 58 HD13 ILE 58 2.150 -0.664 -0.301 364 H ARG 59 HN ARG 59 -0.404 -2.241 -5.670 365 HA ARG 59 HA ARG 59 1.463 -0.211 -6.708 366 HB2 ARG 59 HB2 ARG 59 -0.434 -1.911 -8.336 367 HB3 ARG 59 HB1 ARG 59 0.431 -0.515 -8.960 368 HG2 ARG 59 HG2 ARG 59 1.703 -3.023 -7.874 369 HG3 ARG 59 HG1 ARG 59 1.506 -2.619 -9.581 370 HD2 ARG 59 HD2 ARG 59 2.904 -0.627 -9.263 371 HD3 ARG 59 HD1 ARG 59 3.106 -1.047 -7.562 372 HE ARG 59 HE ARG 59 4.348 -2.339 -9.853 373 HH11 ARG 59 HH11 ARG 59 5.045 -3.504 -6.044 374 HH12 ARG 59 HH12 ARG 59 3.750 -2.293 -6.382 375 HH21 ARG 59 HH21 ARG 59 6.043 -3.822 -9.435 376 HH22 ARG 59 HH22 ARG 59 6.335 -4.328 -7.726 377 H PHE 60 HN PHE 60 0.655 1.796 -6.756 378 HA PHE 60 HA PHE 60 -2.164 2.135 -6.032 379 HB2 PHE 60 HB2 PHE 60 0.248 3.921 -5.762 380 HB3 PHE 60 HB1 PHE 60 -1.392 4.526 -5.550 381 HD1 PHE 60 HD1 PHE 60 0.783 1.738 -4.350 382 HD2 PHE 60 HD2 PHE 60 -2.254 4.574 -3.434 383 HE1 PHE 60 HE1 PHE 60 0.822 1.014 -2.002 384 HE2 PHE 60 HE2 PHE 60 -2.225 3.850 -1.083 385 HZ PHE 60 HZ PHE 60 -0.686 2.069 -0.366 386 H ARG 61 HN ARG 61 -3.596 3.121 -7.315 387 HA ARG 61 HA ARG 61 -2.618 4.443 -9.759 388 HB2 ARG 61 HB2 ARG 61 -3.604 2.014 -9.959 389 HB3 ARG 61 HB1 ARG 61 -5.147 2.836 -9.785 390 HG2 ARG 61 HG2 ARG 61 -4.655 4.193 -11.748 391 HG3 ARG 61 HG1 ARG 61 -3.087 3.398 -11.912 392 HD2 ARG 61 HD2 ARG 61 -4.393 1.214 -12.038 393 HD3 ARG 61 HD1 ARG 61 -5.827 2.214 -12.258 394 HE ARG 61 HE ARG 61 -4.193 3.164 -14.164 395 HH11 ARG 61 HH11 ARG 61 -4.950 -0.743 -14.949 396 HH12 ARG 61 HH12 ARG 61 -5.149 -0.116 -13.271 397 HH21 ARG 61 HH21 ARG 61 -3.917 2.386 -16.292 398 HH22 ARG 61 HH22 ARG 61 -4.259 0.646 -16.628 399 H PHE 62 HN PHE 62 -3.520 6.376 -10.147 400 HA PHE 62 HA PHE 62 -5.983 7.085 -8.694 401 HB2 PHE 62 HB2 PHE 62 -4.359 8.289 -7.495 402 HB3 PHE 62 HB1 PHE 62 -3.408 8.629 -8.935 403 HD1 PHE 62 HD1 PHE 62 -6.697 9.392 -7.369 404 HD2 PHE 62 HD2 PHE 62 -3.586 10.684 -9.965 405 HE1 PHE 62 HE1 PHE 62 -7.774 11.596 -7.561 406 HE2 PHE 62 HE2 PHE 62 -4.652 12.889 -10.160 407 HZ PHE 62 HZ PHE 62 -6.751 13.348 -8.956 408 H ASP 63 HN ASP 63 -7.560 7.703 -9.985 409 HA ASP 63 HA ASP 63 -8.741 8.572 -11.716 410 HB2 ASP 63 HB2 ASP 63 -7.261 10.543 -11.553 411 HB3 ASP 63 HB1 ASP 63 -6.120 9.765 -12.644 412 H GLY 64 HN GLY 64 -5.607 7.290 -12.738 413 HA2 GLY 64 HA2 GLY 64 -6.598 5.120 -14.152 414 HA3 GLY 64 HA1 GLY 64 -6.458 6.439 -15.305 415 H GLN 65 HN GLN 65 -4.155 7.468 -13.589 416 HA GLN 65 HA GLN 65 -2.130 5.740 -14.821 417 HB2 GLN 65 HB2 GLN 65 -2.045 8.642 -13.993 418 HB3 GLN 65 HB1 GLN 65 -0.640 7.751 -14.564 419 HG2 GLN 65 HG2 GLN 65 -3.165 8.081 -16.163 420 HG3 GLN 65 HG1 GLN 65 -1.779 9.164 -16.286 421 HE21 GLN 65 HE21 GLN 65 0.097 8.446 -17.251 422 HE22 GLN 65 HE22 GLN 65 0.170 6.992 -18.188 423 HA PRO 66 HA PRO 66 -0.585 4.478 -10.879 424 HB2 PRO 66 HB2 PRO 66 2.170 4.671 -11.869 425 HB3 PRO 66 HB1 PRO 66 1.239 3.237 -11.421 426 HG2 PRO 66 HG2 PRO 66 1.871 3.762 -13.974 427 HG3 PRO 66 HG1 PRO 66 0.347 2.974 -13.518 428 HD2 PRO 66 HD2 PRO 66 0.838 5.828 -14.267 429 HD3 PRO 66 HD1 PRO 66 -0.494 4.750 -14.733 430 H ILE 67 HN ILE 67 0.474 5.190 -9.020 431 HA ILE 67 HA ILE 67 1.112 8.045 -9.012 432 HB ILE 67 HB ILE 67 0.660 6.163 -6.688 433 HG12 ILE 67 HG12 ILE 67 -1.184 8.197 -7.964 434 HG13 ILE 67 HG11 ILE 67 -1.369 6.447 -8.028 435 HG21 ILE 67 HG21 ILE 67 0.827 9.173 -6.744 436 HG22 ILE 67 HG22 ILE 67 2.071 8.086 -6.129 437 HG23 ILE 67 HG23 ILE 67 0.503 8.173 -5.328 438 HD11 ILE 67 HD11 ILE 67 -1.529 6.526 -5.499 439 HD12 ILE 67 HD12 ILE 67 -2.882 7.193 -6.406 440 HD13 ILE 67 HD13 ILE 67 -1.698 8.270 -5.671 441 H ASN 68 HN ASN 68 3.068 8.861 -8.377 442 HA ASN 68 HA ASN 68 5.242 6.894 -8.082 443 HB2 ASN 68 HB2 ASN 68 5.115 9.682 -9.168 444 HB3 ASN 68 HB1 ASN 68 6.637 9.083 -8.513 445 HD21 ASN 68 HD21 ASN 68 4.286 8.786 -11.037 446 HD22 ASN 68 HD22 ASN 68 5.229 7.778 -12.078 447 H GLU 69 HN GLU 69 7.053 7.577 -6.644 448 HA GLU 69 HA GLU 69 6.056 8.122 -4.045 449 HB2 GLU 69 HB2 GLU 69 8.889 7.972 -5.072 450 HB3 GLU 69 HB1 GLU 69 8.449 8.057 -3.372 451 HG2 GLU 69 HG2 GLU 69 7.348 5.940 -3.482 452 HG3 GLU 69 HG1 GLU 69 7.551 5.875 -5.234 453 H THR 70 HN THR 70 7.490 10.096 -6.522 454 HA THR 70 HA THR 70 7.921 12.324 -4.711 455 HB THR 70 HB THR 70 8.157 12.779 -7.615 456 HG1 THR 70 HG1 THR 70 9.794 10.882 -6.236 457 HG21 THR 70 HG21 THR 70 8.950 14.374 -5.928 458 HG22 THR 70 HG22 THR 70 10.275 13.781 -6.928 459 HG23 THR 70 HG23 THR 70 10.054 13.153 -5.295 460 H ASP 71 HN ASP 71 5.220 11.096 -5.858 461 HA ASP 71 HA ASP 71 4.016 13.410 -7.085 462 HB2 ASP 71 HB2 ASP 71 3.224 10.625 -6.554 463 HB3 ASP 71 HB1 ASP 71 1.912 11.794 -6.452 464 H THR 72 HN THR 72 2.131 14.461 -6.251 465 HA THR 72 HA THR 72 1.683 14.346 -3.374 466 HB THR 72 HB THR 72 1.723 16.994 -3.524 467 HG1 THR 72 HG1 THR 72 3.828 16.328 -5.310 468 HG21 THR 72 HG21 THR 72 4.208 15.312 -3.218 469 HG22 THR 72 HG22 THR 72 3.054 15.720 -1.948 470 HG23 THR 72 HG23 THR 72 4.040 16.984 -2.681 471 HA PRO 73 HA PRO 73 -2.542 14.904 -4.629 472 HB2 PRO 73 HB2 PRO 73 -2.823 16.812 -2.370 473 HB3 PRO 73 HB1 PRO 73 -3.737 15.339 -2.718 474 HG2 PRO 73 HG2 PRO 73 -1.949 15.386 -0.754 475 HG3 PRO 73 HG1 PRO 73 -2.153 13.954 -1.783 476 HD2 PRO 73 HD2 PRO 73 -0.001 16.018 -1.830 477 HD3 PRO 73 HD1 PRO 73 0.103 14.267 -2.107 478 H ALA 74 HN ALA 74 -0.836 17.840 -3.602 479 HA ALA 74 HA ALA 74 -2.488 19.661 -4.998 480 HB1 ALA 74 HB1 ALA 74 -0.736 21.292 -4.565 481 HB2 ALA 74 HB2 ALA 74 0.372 19.999 -4.106 482 HB3 ALA 74 HB3 ALA 74 -1.059 20.322 -3.130 483 H GLN 75 HN GLN 75 0.384 17.858 -5.921 484 HA GLN 75 HA GLN 75 0.681 19.298 -8.413 485 HB2 GLN 75 HB2 GLN 75 2.576 18.281 -7.022 486 HB3 GLN 75 HB1 GLN 75 2.058 16.727 -7.663 487 HG2 GLN 75 HG2 GLN 75 3.926 17.604 -8.931 488 HG3 GLN 75 HG1 GLN 75 2.481 17.521 -9.933 489 HE21 GLN 75 HE21 GLN 75 3.246 19.052 -11.368 490 HE22 GLN 75 HE22 GLN 75 3.362 20.729 -10.967 491 H LEU 76 HN LEU 76 -1.226 16.751 -7.300 492 HA LEU 76 HA LEU 76 -1.539 15.660 -10.008 493 HB2 LEU 76 HB2 LEU 76 -2.105 14.551 -7.281 494 HB3 LEU 76 HB1 LEU 76 -2.943 13.910 -8.680 495 HG LEU 76 HG LEU 76 0.042 13.899 -8.222 496 HD11 LEU 76 HD11 LEU 76 -1.955 11.649 -8.381 497 HD12 LEU 76 HD12 LEU 76 -1.209 12.261 -6.902 498 HD13 LEU 76 HD13 LEU 76 -0.213 11.488 -8.141 499 HD21 LEU 76 HD21 LEU 76 -0.232 14.188 -10.546 500 HD22 LEU 76 HD22 LEU 76 -1.615 13.098 -10.601 501 HD23 LEU 76 HD23 LEU 76 0.000 12.457 -10.311 502 H GLU 77 HN GLU 77 -2.750 18.067 -8.329 503 HA GLU 77 HA GLU 77 -4.679 19.261 -8.284 504 HB2 GLU 77 HB2 GLU 77 -5.307 17.622 -10.748 505 HB3 GLU 77 HB1 GLU 77 -6.117 19.109 -10.270 506 HG2 GLU 77 HG2 GLU 77 -3.159 19.075 -10.698 507 HG3 GLU 77 HG1 GLU 77 -4.263 19.183 -12.068 508 H MET 78 HN MET 78 -4.612 16.943 -6.673 509 HA MET 78 HA MET 78 -7.153 15.584 -6.910 510 HB2 MET 78 HB2 MET 78 -5.110 15.511 -4.677 511 HB3 MET 78 HB1 MET 78 -6.481 14.425 -4.856 512 HG2 MET 78 HG2 MET 78 -5.551 13.541 -6.907 513 HG3 MET 78 HG1 MET 78 -4.199 14.665 -6.798 514 HE1 MET 78 HE1 MET 78 -4.980 10.849 -4.486 515 HE2 MET 78 HE2 MET 78 -6.139 11.865 -5.339 516 HE3 MET 78 HE3 MET 78 -5.680 12.252 -3.683 517 H GLU 79 HN GLU 79 -8.843 15.679 -5.395 518 HA GLU 79 HA GLU 79 -8.837 18.098 -3.717 519 HB2 GLU 79 HB2 GLU 79 -10.562 17.478 -5.929 520 HB3 GLU 79 HB1 GLU 79 -11.508 17.560 -4.448 521 HG2 GLU 79 HG2 GLU 79 -9.795 19.688 -5.683 522 HG3 GLU 79 HG1 GLU 79 -11.527 19.727 -5.358 523 H ASP 80 HN ASP 80 -11.036 17.914 -2.323 524 HA ASP 80 HA ASP 80 -10.516 15.835 -0.471 525 HB2 ASP 80 HB2 ASP 80 -11.662 18.186 -0.152 526 HB3 ASP 80 HB1 ASP 80 -13.136 17.290 -0.504 527 H GLU 81 HN GLU 81 -11.518 13.949 -0.080 528 HA GLU 81 HA GLU 81 -12.850 12.135 -0.295 529 HB2 GLU 81 HB2 GLU 81 -14.552 13.917 -2.036 530 HB3 GLU 81 HB1 GLU 81 -14.982 12.275 -1.580 531 HG2 GLU 81 HG2 GLU 81 -14.589 13.222 0.848 532 HG3 GLU 81 HG1 GLU 81 -14.946 14.752 0.046 533 H ASP 82 HN ASP 82 -10.699 13.015 -2.319 534 HA ASP 82 HA ASP 82 -11.418 11.790 -4.783 535 HB2 ASP 82 HB2 ASP 82 -9.211 13.248 -3.823 536 HB3 ASP 82 HB1 ASP 82 -8.570 11.686 -4.326 537 H THR 83 HN THR 83 -10.721 9.750 -5.627 538 HA THR 83 HA THR 83 -10.405 7.751 -3.491 539 HB THR 83 HB THR 83 -11.397 7.153 -6.267 540 HG1 THR 83 HG1 THR 83 -12.649 8.836 -5.080 541 HG21 THR 83 HG21 THR 83 -12.466 5.255 -5.151 542 HG22 THR 83 HG22 THR 83 -11.837 5.802 -3.597 543 HG23 THR 83 HG23 THR 83 -10.726 5.253 -4.852 544 H ILE 84 HN ILE 84 -8.723 6.454 -3.430 545 HA ILE 84 HA ILE 84 -6.907 6.324 -5.751 546 HB ILE 84 HB ILE 84 -6.190 6.101 -2.818 547 HG12 ILE 84 HG12 ILE 84 -5.489 8.282 -4.797 548 HG13 ILE 84 HG11 ILE 84 -6.763 8.411 -3.589 549 HG21 ILE 84 HG21 ILE 84 -3.860 6.093 -3.617 550 HG22 ILE 84 HG22 ILE 84 -4.447 6.035 -5.278 551 HG23 ILE 84 HG23 ILE 84 -4.772 4.692 -4.183 552 HD11 ILE 84 HD11 ILE 84 -3.819 8.078 -3.057 553 HD12 ILE 84 HD12 ILE 84 -5.075 8.139 -1.821 554 HD13 ILE 84 HD13 ILE 84 -4.772 9.546 -2.840 555 H ASP 85 HN ASP 85 -6.771 4.346 -6.628 556 HA ASP 85 HA ASP 85 -7.847 2.070 -5.126 557 HB2 ASP 85 HB2 ASP 85 -8.045 2.882 -7.823 558 HB3 ASP 85 HB1 ASP 85 -7.067 1.419 -7.824 559 H VAL 86 HN VAL 86 -6.648 0.313 -4.572 560 HA VAL 86 HA VAL 86 -3.769 0.428 -5.224 561 HB VAL 86 HB VAL 86 -4.958 -0.777 -2.719 562 HG11 VAL 86 HG11 VAL 86 -2.638 -0.767 -1.928 563 HG12 VAL 86 HG12 VAL 86 -2.112 -0.122 -3.481 564 HG13 VAL 86 HG13 VAL 86 -2.820 -1.735 -3.393 565 HG21 VAL 86 HG21 VAL 86 -4.076 1.192 -1.542 566 HG22 VAL 86 HG22 VAL 86 -5.333 1.624 -2.703 567 HG23 VAL 86 HG23 VAL 86 -3.636 1.910 -3.091 568 H PHE 87 HN PHE 87 -3.196 -1.143 -6.552 569 HA PHE 87 HA PHE 87 -4.692 -3.679 -6.503 570 HB2 PHE 87 HB2 PHE 87 -2.938 -2.548 -8.692 571 HB3 PHE 87 HB1 PHE 87 -3.879 -4.033 -8.783 572 HD1 PHE 87 HD1 PHE 87 -6.344 -3.932 -8.857 573 HD2 PHE 87 HD2 PHE 87 -3.937 -0.428 -9.045 574 HE1 PHE 87 HE1 PHE 87 -8.260 -2.665 -9.737 575 HE2 PHE 87 HE2 PHE 87 -5.851 0.843 -9.920 576 HZ PHE 87 HZ PHE 87 -8.014 -0.276 -10.267 577 H GLN 88 HN GLN 88 -3.060 -5.456 -7.566 578 HA GLN 88 HA GLN 88 -0.599 -5.365 -5.953 579 HB2 GLN 88 HB2 GLN 88 -2.496 -7.675 -6.381 580 HB3 GLN 88 HB1 GLN 88 -0.854 -7.889 -5.788 581 HG2 GLN 88 HG2 GLN 88 -1.621 -6.101 -4.014 582 HG3 GLN 88 HG1 GLN 88 -3.221 -6.706 -4.440 583 HE21 GLN 88 HE21 GLN 88 -3.620 -7.704 -2.507 584 HE22 GLN 88 HE22 GLN 88 -2.754 -9.096 -1.962 585 H GLN 89 HN GLN 89 1.205 -6.440 -6.797 586 HA GLN 89 HA GLN 89 1.338 -6.433 -9.677 587 HB2 GLN 89 HB2 GLN 89 3.151 -5.579 -8.143 588 HB3 GLN 89 HB1 GLN 89 3.473 -7.247 -7.697 589 HG2 GLN 89 HG2 GLN 89 5.065 -6.542 -9.339 590 HG3 GLN 89 HG1 GLN 89 3.995 -7.746 -10.053 591 HE21 GLN 89 HE21 GLN 89 4.445 -7.049 -12.137 592 HE22 GLN 89 HE22 GLN 89 3.833 -5.560 -12.765 593 H GLN 90 HN GLN 90 1.990 -8.236 -10.962 594 HA GLN 90 HA GLN 90 0.709 -10.670 -10.276 595 HB2 GLN 90 HB2 GLN 90 2.583 -9.928 -12.525 596 HB3 GLN 90 HB1 GLN 90 1.840 -11.513 -12.387 597 HG2 GLN 90 HG2 GLN 90 0.518 -10.320 -13.908 598 HG3 GLN 90 HG1 GLN 90 -0.393 -10.325 -12.400 599 HE21 GLN 90 HE21 GLN 90 -1.559 -8.512 -13.043 600 HE22 GLN 90 HE22 GLN 90 -0.866 -6.930 -13.044 601 H THR 91 HN THR 91 1.547 -12.649 -9.698 602 HA THR 91 HA THR 91 4.139 -12.565 -8.376 603 HB THR 91 HB THR 91 2.757 -15.110 -8.226 604 HG1 THR 91 HG1 THR 91 1.313 -12.932 -7.117 605 HG21 THR 91 HG21 THR 91 3.503 -12.993 -6.208 606 HG22 THR 91 HG22 THR 91 4.421 -14.441 -6.618 607 HG23 THR 91 HG23 THR 91 2.868 -14.585 -5.797 608 H GLY 92 HN GLY 92 2.966 -13.464 -11.369 609 HA2 GLY 92 HA2 GLY 92 5.389 -14.530 -12.276 610 HA3 GLY 92 HA1 GLY 92 4.316 -15.871 -11.895 611 H ASN 357 HT1 ASN 357 -20.055 -2.647 6.463 612 HA ASN 357 HA ASN 357 -18.394 -1.471 4.325 613 HB2 ASN 357 HB2 ASN 357 -20.279 -0.044 4.899 614 HB3 ASN 357 HB1 ASN 357 -19.943 -0.233 6.615 615 HD21 ASN 357 HD21 ASN 357 -19.731 1.980 6.929 616 HD22 ASN 357 HD22 ASN 357 -18.359 2.866 6.360 617 H ASN 358 HN ASN 358 -16.298 -1.325 4.765 618 HA ASN 358 HA ASN 358 -15.414 -1.780 7.540 619 HB2 ASN 358 HB2 ASN 358 -14.796 -3.687 6.201 620 HB3 ASN 358 HB1 ASN 358 -14.180 -2.655 4.919 621 HD21 ASN 358 HD21 ASN 358 -12.135 -3.381 4.880 622 HD22 ASN 358 HD22 ASN 358 -11.026 -3.223 6.203 623 H ARG 359 HN ARG 359 -14.292 -0.139 8.401 624 HA ARG 359 HA ARG 359 -13.124 1.795 6.532 625 HB2 ARG 359 HB2 ARG 359 -13.677 3.586 8.152 626 HB3 ARG 359 HB1 ARG 359 -15.087 2.817 7.438 627 HG2 ARG 359 HG2 ARG 359 -15.451 1.538 9.467 628 HG3 ARG 359 HG1 ARG 359 -13.989 2.226 10.182 629 HD2 ARG 359 HD2 ARG 359 -14.948 4.440 10.115 630 HD3 ARG 359 HD1 ARG 359 -16.372 3.836 9.273 631 HE ARG 359 HE ARG 359 -16.003 2.540 11.789 632 HH11 ARG 359 HH11 ARG 359 -18.275 5.892 11.570 633 HH12 ARG 359 HH12 ARG 359 -17.117 5.491 10.246 634 HH21 ARG 359 HH21 ARG 359 -17.473 3.021 13.514 635 HH22 ARG 359 HH22 ARG 359 -18.468 4.520 13.391 636 H ASP 360 HN ASP 360 -11.091 2.297 6.796 637 HA ASP 360 HA ASP 360 -9.789 1.632 9.347 638 HB2 ASP 360 HB2 ASP 360 -9.145 0.252 7.219 639 HB3 ASP 360 HB1 ASP 360 -8.239 1.697 6.775 640 HA PRO 361 HA PRO 361 -8.745 5.937 8.917 641 HB2 PRO 361 HB2 PRO 361 -8.345 6.399 11.511 642 HB3 PRO 361 HB1 PRO 361 -9.946 5.923 10.913 643 HG2 PRO 361 HG2 PRO 361 -8.042 4.373 12.530 644 HG3 PRO 361 HG1 PRO 361 -9.781 4.129 12.296 645 HD2 PRO 361 HD2 PRO 361 -7.550 2.823 10.916 646 HD3 PRO 361 HD1 PRO 361 -9.285 2.423 10.898 647 H ILE 362 HN ILE 362 -6.973 6.881 8.309 648 HA ILE 362 HA ILE 362 -4.403 6.106 9.513 649 HB ILE 362 HB ILE 362 -4.865 7.080 6.692 650 HG12 ILE 362 HG12 ILE 362 -5.625 4.734 7.221 651 HG13 ILE 362 HG11 ILE 362 -4.398 4.855 5.963 652 HG21 ILE 362 HG21 ILE 362 -2.507 6.697 6.342 653 HG22 ILE 362 HG22 ILE 362 -2.325 6.080 7.984 654 HG23 ILE 362 HG23 ILE 362 -2.713 7.780 7.720 655 HD11 ILE 362 HD11 ILE 362 -3.923 4.111 8.837 656 HD12 ILE 362 HD12 ILE 362 -2.691 4.224 7.581 657 HD13 ILE 362 HD13 ILE 362 -3.959 3.004 7.464 658 H VAL 363 HN VAL 363 -3.230 7.625 10.349 659 HA VAL 363 HA VAL 363 -4.003 10.421 9.878 660 HB VAL 363 HB VAL 363 -2.751 9.343 12.419 661 HG11 VAL 363 HG11 VAL 363 -4.158 11.963 11.934 662 HG12 VAL 363 HG12 VAL 363 -2.416 11.759 11.787 663 HG13 VAL 363 HG13 VAL 363 -3.206 11.492 13.340 664 HG21 VAL 363 HG21 VAL 363 -5.220 10.072 13.195 665 HG22 VAL 363 HG22 VAL 363 -4.808 8.426 12.720 666 HG23 VAL 363 HG23 VAL 363 -5.581 9.510 11.564 667 H ILE 364 HN ILE 364 -2.463 11.757 9.265 668 HA ILE 364 HA ILE 364 0.235 10.645 8.959 669 HB ILE 364 HB ILE 364 -1.491 12.217 7.143 670 HG12 ILE 364 HG12 ILE 364 -0.953 10.231 6.141 671 HG13 ILE 364 HG11 ILE 364 0.356 11.233 5.506 672 HG21 ILE 364 HG21 ILE 364 1.442 12.900 7.267 673 HG22 ILE 364 HG22 ILE 364 0.112 13.968 7.718 674 HG23 ILE 364 HG23 ILE 364 0.298 13.449 6.041 675 HD11 ILE 364 HD11 ILE 364 1.292 9.182 6.165 676 HD12 ILE 364 HD12 ILE 364 0.482 9.214 7.728 677 HD13 ILE 364 HD13 ILE 364 1.775 10.363 7.381 678 H SEP 365 HN SEP 365 1.919 11.721 9.733 679 HA SEP 365 HA SEP 365 1.381 14.274 11.101 680 HB2 SEP 365 HB1 SEP 365 2.919 13.654 12.739 681 HB3 SEP 365 HB2 SEP 365 3.842 12.637 11.629 682 H ASP 366 HN ASP 366 2.347 15.976 10.270 683 HA ASP 366 HA ASP 366 4.331 15.539 8.134 684 HB2 ASP 366 HB2 ASP 366 1.903 16.291 7.591 685 HB3 ASP 366 HB1 ASP 366 2.425 17.851 8.215 686 H SEP 367 HN SEP 367 6.154 16.619 8.212 687 HA SEP 367 HA SEP 367 7.217 17.789 10.403 688 HB2 SEP 367 HB1 SEP 367 8.909 18.726 8.902 689 HB3 SEP 367 HB2 SEP 367 7.822 18.514 7.526 690 HA PRO 368 HA PRO 368 4.694 21.446 10.827 691 HB2 PRO 368 HB2 PRO 368 5.985 22.402 13.035 692 HB3 PRO 368 HB1 PRO 368 4.767 21.120 13.080 693 HG2 PRO 368 HG2 PRO 368 7.737 20.885 13.128 694 HG3 PRO 368 HG1 PRO 368 6.520 19.992 14.065 695 HD2 PRO 368 HD2 PRO 368 7.720 18.925 11.910 696 HD3 PRO 368 HD1 PRO 368 6.038 18.560 12.335 Start of MODEL 12 1 H ASP 16 HT1 ASP 16 -5.664 23.089 4.126 2 HA ASP 16 HA ASP 16 -4.476 22.407 6.744 3 HB2 ASP 16 HB2 ASP 16 -7.296 22.914 5.871 4 HB3 ASP 16 HB1 ASP 16 -6.988 21.695 7.104 5 H HIS 17 HN HIS 17 -6.219 20.221 7.092 6 HA HIS 17 HA HIS 17 -4.850 18.271 5.501 7 HB2 HIS 17 HB2 HIS 17 -6.915 18.111 7.682 8 HB3 HIS 17 HB1 HIS 17 -6.415 16.680 6.788 9 HD2 HIS 17 HD2 HIS 17 -3.743 15.880 7.203 10 HE1 HIS 17 HE1 HIS 17 -3.231 18.344 10.602 11 HE2 HIS 17 HE2 HIS 17 -2.399 16.285 9.383 12 H ILE 18 HN ILE 18 -5.846 16.653 4.227 13 HA ILE 18 HA ILE 18 -8.386 17.488 2.990 14 HB ILE 18 HB ILE 18 -6.521 17.940 1.473 15 HG12 ILE 18 HG12 ILE 18 -8.045 15.502 0.544 16 HG13 ILE 18 HG11 ILE 18 -8.698 17.135 0.559 17 HG21 ILE 18 HG21 ILE 18 -5.154 16.092 0.580 18 HG22 ILE 18 HG22 ILE 18 -5.878 15.015 1.772 19 HG23 ILE 18 HG23 ILE 18 -4.891 16.375 2.300 20 HD11 ILE 18 HD11 ILE 18 -6.288 16.250 -1.010 21 HD12 ILE 18 HD12 ILE 18 -7.038 17.847 -1.047 22 HD13 ILE 18 HD13 ILE 18 -7.918 16.444 -1.658 23 H ASN 19 HN ASN 19 -9.840 15.871 2.481 24 HA ASN 19 HA ASN 19 -9.396 13.346 3.880 25 HB2 ASN 19 HB2 ASN 19 -11.896 14.455 2.582 26 HB3 ASN 19 HB1 ASN 19 -11.809 12.982 3.539 27 HD21 ASN 19 HD21 ASN 19 -11.710 16.453 3.596 28 HD22 ASN 19 HD22 ASN 19 -11.945 16.621 5.305 29 H LEU 20 HN LEU 20 -8.307 11.901 2.697 30 HA LEU 20 HA LEU 20 -9.160 11.506 -0.095 31 HB2 LEU 20 HB2 LEU 20 -6.527 10.858 1.239 32 HB3 LEU 20 HB1 LEU 20 -6.945 10.390 -0.398 33 HG LEU 20 HG LEU 20 -6.666 13.219 0.616 34 HD11 LEU 20 HD11 LEU 20 -4.949 11.608 -1.265 35 HD12 LEU 20 HD12 LEU 20 -4.537 12.060 0.388 36 HD13 LEU 20 HD13 LEU 20 -4.720 13.306 -0.844 37 HD21 LEU 20 HD21 LEU 20 -6.879 13.810 -1.792 38 HD22 LEU 20 HD22 LEU 20 -8.356 13.176 -1.077 39 HD23 LEU 20 HD23 LEU 20 -7.370 12.146 -2.110 40 H LYS 21 HN LYS 21 -9.831 9.508 -0.742 41 HA LYS 21 HA LYS 21 -10.066 7.495 1.393 42 HB2 LYS 21 HB2 LYS 21 -11.882 8.217 -0.888 43 HB3 LYS 21 HB1 LYS 21 -11.995 6.650 -0.104 44 HG2 LYS 21 HG2 LYS 21 -12.696 7.571 1.915 45 HG3 LYS 21 HG1 LYS 21 -12.125 9.186 1.484 46 HD2 LYS 21 HD2 LYS 21 -13.929 9.600 0.114 47 HD3 LYS 21 HD1 LYS 21 -14.236 7.889 -0.174 48 HE2 LYS 21 HE2 LYS 21 -15.091 7.634 2.076 49 HE3 LYS 21 HE1 LYS 21 -14.702 9.315 2.437 50 HZ1 LYS 21 HZ1 LYS 21 -16.350 10.077 0.974 51 HZ2 LYS 21 HZ2 LYS 21 -17.081 8.815 1.841 52 HZ3 LYS 21 HZ3 LYS 21 -16.552 8.552 0.257 53 H VAL 22 HN VAL 22 -9.084 5.639 1.130 54 HA VAL 22 HA VAL 22 -8.288 4.808 -1.579 55 HB VAL 22 HB VAL 22 -6.801 4.278 1.009 56 HG11 VAL 22 HG11 VAL 22 -6.578 2.443 -0.572 57 HG12 VAL 22 HG12 VAL 22 -5.059 3.323 -0.409 58 HG13 VAL 22 HG13 VAL 22 -6.074 3.574 -1.829 59 HG21 VAL 22 HG21 VAL 22 -5.030 5.704 0.001 60 HG22 VAL 22 HG22 VAL 22 -6.510 6.578 0.394 61 HG23 VAL 22 HG23 VAL 22 -6.165 6.134 -1.277 62 H ALA 23 HN ALA 23 -8.934 2.786 -2.173 63 HA ALA 23 HA ALA 23 -10.144 1.115 -0.073 64 HB1 ALA 23 HB1 ALA 23 -11.883 0.446 -1.660 65 HB2 ALA 23 HB2 ALA 23 -11.209 1.553 -2.861 66 HB3 ALA 23 HB3 ALA 23 -11.900 2.185 -1.366 67 H GLY 24 HN GLY 24 -9.691 -0.998 -0.092 68 HA2 GLY 24 HA2 GLY 24 -7.634 -1.903 -1.941 69 HA3 GLY 24 HA1 GLY 24 -8.190 -2.747 -0.502 70 H GLN 25 HN GLN 25 -7.901 -4.394 -2.473 71 HA GLN 25 HA GLN 25 -10.115 -4.530 -4.280 72 HB2 GLN 25 HB2 GLN 25 -7.999 -6.560 -3.557 73 HB3 GLN 25 HB1 GLN 25 -9.208 -6.807 -4.809 74 HG2 GLN 25 HG2 GLN 25 -7.101 -4.659 -4.764 75 HG3 GLN 25 HG1 GLN 25 -7.113 -6.099 -5.781 76 HE21 GLN 25 HE21 GLN 25 -7.160 -3.155 -6.365 77 HE22 GLN 25 HE22 GLN 25 -8.504 -2.950 -7.438 78 H ASP 26 HN ASP 26 -9.743 -5.287 -1.038 79 HA ASP 26 HA ASP 26 -11.628 -7.482 -0.981 80 HB2 ASP 26 HB2 ASP 26 -11.312 -7.451 1.428 81 HB3 ASP 26 HB1 ASP 26 -9.742 -7.361 0.637 82 H GLY 27 HN GLY 27 -11.548 -4.042 -0.321 83 HA2 GLY 27 HA2 GLY 27 -13.705 -2.907 -0.881 84 HA3 GLY 27 HA1 GLY 27 -14.464 -4.112 0.150 85 H SER 28 HN SER 28 -11.451 -3.198 1.343 86 HA SER 28 HA SER 28 -12.634 -1.880 3.591 87 HB2 SER 28 HB2 SER 28 -10.180 -1.556 4.245 88 HB3 SER 28 HB1 SER 28 -10.738 -3.218 4.089 89 HG SER 28 HG SER 28 -9.636 -3.438 2.214 90 H VAL 29 HN VAL 29 -12.685 0.243 4.086 91 HA VAL 29 HA VAL 29 -11.527 2.096 2.118 92 HB VAL 29 HB VAL 29 -13.923 2.300 2.041 93 HG11 VAL 29 HG11 VAL 29 -14.469 1.293 4.198 94 HG12 VAL 29 HG12 VAL 29 -15.293 2.835 3.981 95 HG13 VAL 29 HG13 VAL 29 -13.876 2.733 5.021 96 HG21 VAL 29 HG21 VAL 29 -14.230 4.654 2.764 97 HG22 VAL 29 HG22 VAL 29 -12.751 4.386 1.843 98 HG23 VAL 29 HG23 VAL 29 -12.679 4.560 3.596 99 H VAL 30 HN VAL 30 -9.841 3.194 2.852 100 HA VAL 30 HA VAL 30 -9.490 3.389 5.745 101 HB VAL 30 HB VAL 30 -7.164 4.158 5.218 102 HG11 VAL 30 HG11 VAL 30 -6.778 2.035 5.711 103 HG12 VAL 30 HG12 VAL 30 -6.834 1.688 3.978 104 HG13 VAL 30 HG13 VAL 30 -8.293 1.526 4.954 105 HG21 VAL 30 HG21 VAL 30 -7.874 3.295 2.424 106 HG22 VAL 30 HG22 VAL 30 -6.270 3.756 2.997 107 HG23 VAL 30 HG23 VAL 30 -7.569 4.952 2.943 108 H GLN 31 HN GLN 31 -9.623 5.186 6.844 109 HA GLN 31 HA GLN 31 -10.408 7.636 5.511 110 HB2 GLN 31 HB2 GLN 31 -11.467 6.839 7.646 111 HB3 GLN 31 HB1 GLN 31 -9.937 7.120 8.460 112 HG2 GLN 31 HG2 GLN 31 -10.124 9.526 7.748 113 HG3 GLN 31 HG1 GLN 31 -11.765 9.160 7.220 114 HE21 GLN 31 HE21 GLN 31 -10.816 10.978 9.301 115 HE22 GLN 31 HE22 GLN 31 -11.582 10.468 10.764 116 H PHE 32 HN PHE 32 -8.464 8.073 4.371 117 HA PHE 32 HA PHE 32 -6.000 8.448 5.832 118 HB2 PHE 32 HB2 PHE 32 -6.770 8.122 3.074 119 HB3 PHE 32 HB1 PHE 32 -5.726 9.529 3.248 120 HD1 PHE 32 HD1 PHE 32 -5.759 6.118 2.660 121 HD2 PHE 32 HD2 PHE 32 -3.627 9.081 4.843 122 HE1 PHE 32 HE1 PHE 32 -3.795 4.642 2.730 123 HE2 PHE 32 HE2 PHE 32 -1.654 7.611 4.916 124 HZ PHE 32 HZ PHE 32 -1.738 5.387 3.861 125 H LYS 33 HN LYS 33 -5.781 10.188 7.048 126 HA LYS 33 HA LYS 33 -6.794 12.748 6.030 127 HB2 LYS 33 HB2 LYS 33 -7.586 11.957 8.294 128 HB3 LYS 33 HB1 LYS 33 -5.931 12.139 8.859 129 HG2 LYS 33 HG2 LYS 33 -5.986 14.444 8.705 130 HG3 LYS 33 HG1 LYS 33 -7.325 14.441 7.555 131 HD2 LYS 33 HD2 LYS 33 -8.668 13.402 9.525 132 HD3 LYS 33 HD1 LYS 33 -7.369 14.053 10.525 133 HE2 LYS 33 HE2 LYS 33 -7.784 16.285 9.577 134 HE3 LYS 33 HE1 LYS 33 -9.113 15.624 8.630 135 HZ1 LYS 33 HZ1 LYS 33 -10.054 16.596 10.538 136 HZ2 LYS 33 HZ2 LYS 33 -8.936 15.868 11.575 137 HZ3 LYS 33 HZ3 LYS 33 -10.111 14.929 10.804 138 H ILE 34 HN ILE 34 -5.177 13.383 4.709 139 HA ILE 34 HA ILE 34 -2.550 13.814 5.967 140 HB ILE 34 HB ILE 34 -1.390 13.241 4.031 141 HG12 ILE 34 HG12 ILE 34 -3.929 13.240 2.396 142 HG13 ILE 34 HG11 ILE 34 -2.863 14.635 2.537 143 HG21 ILE 34 HG21 ILE 34 -1.963 11.035 3.546 144 HG22 ILE 34 HG22 ILE 34 -3.691 11.353 3.695 145 HG23 ILE 34 HG23 ILE 34 -2.675 11.316 5.135 146 HD11 ILE 34 HD11 ILE 34 -1.057 13.417 1.517 147 HD12 ILE 34 HD12 ILE 34 -2.487 13.335 0.486 148 HD13 ILE 34 HD13 ILE 34 -2.033 11.947 1.475 149 H LYS 35 HN LYS 35 -1.294 15.588 4.624 150 HA LYS 35 HA LYS 35 -3.134 17.837 4.412 151 HB2 LYS 35 HB2 LYS 35 -0.120 17.692 4.452 152 HB3 LYS 35 HB1 LYS 35 -1.004 19.186 4.163 153 HG2 LYS 35 HG2 LYS 35 -2.121 18.848 6.379 154 HG3 LYS 35 HG1 LYS 35 -1.011 17.503 6.657 155 HD2 LYS 35 HD2 LYS 35 0.850 19.194 6.138 156 HD3 LYS 35 HD1 LYS 35 -0.390 20.427 6.374 157 HE2 LYS 35 HE2 LYS 35 -0.651 19.911 8.624 158 HE3 LYS 35 HE1 LYS 35 0.046 18.301 8.435 159 HZ1 LYS 35 HZ1 LYS 35 2.195 19.481 7.904 160 HZ2 LYS 35 HZ2 LYS 35 1.668 19.588 9.515 161 HZ3 LYS 35 HZ3 LYS 35 1.461 20.902 8.472 162 H ARG 36 HN ARG 36 -2.828 19.370 2.583 163 HA ARG 36 HA ARG 36 -3.043 17.904 0.137 164 HB2 ARG 36 HB2 ARG 36 -3.185 20.856 0.725 165 HB3 ARG 36 HB1 ARG 36 -3.482 20.152 -0.860 166 HG2 ARG 36 HG2 ARG 36 -5.364 18.914 -0.009 167 HG3 ARG 36 HG1 ARG 36 -5.023 19.466 1.630 168 HD2 ARG 36 HD2 ARG 36 -6.869 20.717 0.618 169 HD3 ARG 36 HD1 ARG 36 -5.497 21.756 0.981 170 HE ARG 36 HE ARG 36 -5.016 21.883 -1.340 171 HH11 ARG 36 HH11 ARG 36 -8.022 20.198 -0.575 172 HH12 ARG 36 HH12 ARG 36 -8.688 20.394 -2.247 173 HH21 ARG 36 HH21 ARG 36 -5.834 22.161 -3.455 174 HH22 ARG 36 HH22 ARG 36 -7.473 21.493 -3.848 175 H HIS 37 HN HIS 37 -0.364 19.001 1.753 176 HA HIS 37 HA HIS 37 1.105 19.335 -0.775 177 HB2 HIS 37 HB2 HIS 37 2.462 20.970 0.127 178 HB3 HIS 37 HB1 HIS 37 0.945 21.307 0.948 179 HD2 HIS 37 HD2 HIS 37 0.945 19.799 3.588 180 HE1 HIS 37 HE1 HIS 37 5.049 20.722 4.004 181 HE2 HIS 37 HE2 HIS 37 3.037 19.666 5.121 182 H THR 38 HN THR 38 0.603 17.253 1.747 183 HA THR 38 HA THR 38 3.270 16.308 2.171 184 HB THR 38 HB THR 38 0.686 14.848 2.746 185 HG1 THR 38 HG1 THR 38 2.144 16.696 4.376 186 HG21 THR 38 HG21 THR 38 2.767 13.504 2.913 187 HG22 THR 38 HG22 THR 38 1.972 13.715 4.471 188 HG23 THR 38 HG23 THR 38 3.397 14.672 4.074 189 HA PRO 39 HA PRO 39 3.726 14.060 -1.660 190 HB2 PRO 39 HB2 PRO 39 5.534 12.411 0.033 191 HB3 PRO 39 HB1 PRO 39 5.846 13.189 -1.526 192 HG2 PRO 39 HG2 PRO 39 6.845 14.211 0.707 193 HG3 PRO 39 HG1 PRO 39 6.231 15.258 -0.587 194 HD2 PRO 39 HD2 PRO 39 4.988 14.571 2.028 195 HD3 PRO 39 HD1 PRO 39 4.932 16.090 1.112 196 H LEU 40 HN LEU 40 2.757 12.341 -2.541 197 HA LEU 40 HA LEU 40 1.013 10.733 -0.978 198 HB2 LEU 40 HB2 LEU 40 1.884 10.508 -3.856 199 HB3 LEU 40 HB1 LEU 40 0.624 9.524 -3.131 200 HG LEU 40 HG LEU 40 0.546 12.532 -3.395 201 HD11 LEU 40 HD11 LEU 40 -1.130 12.164 -5.093 202 HD12 LEU 40 HD12 LEU 40 -0.992 10.418 -4.892 203 HD13 LEU 40 HD13 LEU 40 0.363 11.340 -5.541 204 HD21 LEU 40 HD21 LEU 40 -1.503 10.553 -2.403 205 HD22 LEU 40 HD22 LEU 40 -1.818 12.257 -2.726 206 HD23 LEU 40 HD23 LEU 40 -0.688 11.796 -1.453 207 H SER 41 HN SER 41 4.295 10.512 -1.612 208 HA SER 41 HA SER 41 4.737 7.756 -1.782 209 HB2 SER 41 HB2 SER 41 6.715 9.277 -0.230 210 HB3 SER 41 HB1 SER 41 6.918 8.375 -1.734 211 HG SER 41 HG SER 41 7.001 10.281 -2.625 212 H LYS 42 HN LYS 42 4.388 9.930 0.984 213 HA LYS 42 HA LYS 42 4.902 7.984 2.981 214 HB2 LYS 42 HB2 LYS 42 4.032 10.768 2.879 215 HB3 LYS 42 HB1 LYS 42 3.233 9.867 4.159 216 HG2 LYS 42 HG2 LYS 42 5.449 9.164 4.997 217 HG3 LYS 42 HG1 LYS 42 6.202 10.167 3.758 218 HD2 LYS 42 HD2 LYS 42 5.206 12.160 4.713 219 HD3 LYS 42 HD1 LYS 42 4.321 11.187 5.894 220 HE2 LYS 42 HE2 LYS 42 6.480 10.417 6.818 221 HE3 LYS 42 HE1 LYS 42 7.324 11.462 5.683 222 HZ1 LYS 42 HZ1 LYS 42 6.653 12.181 8.169 223 HZ2 LYS 42 HZ2 LYS 42 5.311 12.760 7.315 224 HZ3 LYS 42 HZ3 LYS 42 6.865 13.290 6.897 225 H LEU 43 HN LEU 43 2.058 8.992 1.224 226 HA LEU 43 HA LEU 43 0.112 7.731 2.844 227 HB2 LEU 43 HB2 LEU 43 -0.308 9.507 1.107 228 HB3 LEU 43 HB1 LEU 43 -0.075 8.272 -0.115 229 HG LEU 43 HG LEU 43 -2.094 7.678 1.966 230 HD11 LEU 43 HD11 LEU 43 -2.613 9.988 1.622 231 HD12 LEU 43 HD12 LEU 43 -3.796 9.021 0.745 232 HD13 LEU 43 HD13 LEU 43 -2.483 9.810 -0.128 233 HD21 LEU 43 HD21 LEU 43 -2.024 7.390 -1.036 234 HD22 LEU 43 HD22 LEU 43 -3.296 6.790 0.022 235 HD23 LEU 43 HD23 LEU 43 -1.667 6.130 0.142 236 H MET 44 HN MET 44 1.805 6.714 -0.091 237 HA MET 44 HA MET 44 0.558 4.209 -0.359 238 HB2 MET 44 HB2 MET 44 3.271 5.185 -1.258 239 HB3 MET 44 HB1 MET 44 2.615 3.614 -1.699 240 HG2 MET 44 HG2 MET 44 0.660 4.811 -2.696 241 HG3 MET 44 HG1 MET 44 1.527 6.320 -2.418 242 HE1 MET 44 HE1 MET 44 3.316 7.270 -3.933 243 HE2 MET 44 HE2 MET 44 4.402 6.284 -4.912 244 HE3 MET 44 HE3 MET 44 4.387 6.102 -3.159 245 H LYS 45 HN LYS 45 3.456 5.211 1.380 246 HA LYS 45 HA LYS 45 4.204 2.587 2.166 247 HB2 LYS 45 HB2 LYS 45 4.981 5.326 3.151 248 HB3 LYS 45 HB1 LYS 45 5.647 3.853 3.844 249 HG2 LYS 45 HG2 LYS 45 6.577 3.229 1.701 250 HG3 LYS 45 HG1 LYS 45 5.841 4.642 0.946 251 HD2 LYS 45 HD2 LYS 45 7.201 6.109 2.349 252 HD3 LYS 45 HD1 LYS 45 7.925 4.702 3.127 253 HE2 LYS 45 HE2 LYS 45 8.773 3.979 0.913 254 HE3 LYS 45 HE1 LYS 45 8.142 5.471 0.221 255 HZ1 LYS 45 HZ1 LYS 45 10.224 5.269 2.327 256 HZ2 LYS 45 HZ2 LYS 45 9.601 6.715 1.715 257 HZ3 LYS 45 HZ3 LYS 45 10.480 5.681 0.711 258 H ALA 46 HN ALA 46 2.323 5.165 3.697 259 HA ALA 46 HA ALA 46 2.063 4.073 6.245 260 HB1 ALA 46 HB1 ALA 46 1.367 6.325 5.806 261 HB2 ALA 46 HB2 ALA 46 -0.018 5.419 6.408 262 HB3 ALA 46 HB3 ALA 46 0.122 5.773 4.687 263 H TYR 47 HN TYR 47 0.010 3.602 3.375 264 HA TYR 47 HA TYR 47 -1.811 1.842 4.652 265 HB2 TYR 47 HB2 TYR 47 -2.437 2.975 2.593 266 HB3 TYR 47 HB1 TYR 47 -1.139 2.171 1.717 267 HD1 TYR 47 HD1 TYR 47 -1.530 0.110 0.660 268 HD2 TYR 47 HD2 TYR 47 -4.284 1.512 3.581 269 HE1 TYR 47 HE1 TYR 47 -3.065 -1.722 0.084 270 HE2 TYR 47 HE2 TYR 47 -5.825 -0.316 3.018 271 HH TYR 47 HH TYR 47 -6.291 -1.910 1.458 272 H CYS 48 HN CYS 48 1.201 1.389 2.927 273 HA CYS 48 HA CYS 48 1.148 -1.401 2.657 274 HB2 CYS 48 HB2 CYS 48 2.819 -0.457 1.387 275 HB3 CYS 48 HB1 CYS 48 3.236 0.725 2.623 276 HG CYS 48 HG CYS 48 3.986 -2.418 3.494 277 H GLU 49 HN GLU 49 2.302 0.691 5.271 278 HA GLU 49 HA GLU 49 3.373 -1.362 6.901 279 HB2 GLU 49 HB2 GLU 49 2.249 1.326 7.723 280 HB3 GLU 49 HB1 GLU 49 3.292 0.304 8.702 281 HG2 GLU 49 HG2 GLU 49 4.122 1.423 6.042 282 HG3 GLU 49 HG1 GLU 49 4.390 2.259 7.570 283 H ARG 50 HN ARG 50 0.172 -0.014 6.516 284 HA ARG 50 HA ARG 50 -0.986 -1.150 8.848 285 HB2 ARG 50 HB2 ARG 50 -1.925 0.312 6.478 286 HB3 ARG 50 HB1 ARG 50 -3.096 -0.814 7.150 287 HG2 ARG 50 HG2 ARG 50 -3.441 1.354 8.109 288 HG3 ARG 50 HG1 ARG 50 -2.820 0.267 9.350 289 HD2 ARG 50 HD2 ARG 50 -0.545 1.376 8.222 290 HD3 ARG 50 HD1 ARG 50 -1.684 2.718 8.298 291 HE ARG 50 HE ARG 50 -1.812 1.495 10.759 292 HH11 ARG 50 HH11 ARG 50 0.681 3.013 8.790 293 HH12 ARG 50 HH12 ARG 50 1.631 3.576 10.216 294 HH21 ARG 50 HH21 ARG 50 0.886 3.115 12.349 295 HH22 ARG 50 HH22 ARG 50 -0.637 2.182 12.595 296 H GLN 51 HN GLN 51 -0.626 -2.240 5.532 297 HA GLN 51 HA GLN 51 -2.277 -4.569 5.962 298 HB2 GLN 51 HB2 GLN 51 -0.523 -3.756 3.645 299 HB3 GLN 51 HB1 GLN 51 -1.538 -5.191 3.661 300 HG2 GLN 51 HG2 GLN 51 -2.499 -2.350 3.899 301 HG3 GLN 51 HG1 GLN 51 -2.601 -3.365 2.462 302 HE21 GLN 51 HE21 GLN 51 -4.135 -4.971 2.359 303 HE22 GLN 51 HE22 GLN 51 -5.423 -5.122 3.501 304 H GLY 52 HN GLY 52 0.977 -3.704 6.447 305 HA2 GLY 52 HA2 GLY 52 2.732 -4.901 7.331 306 HA3 GLY 52 HA1 GLY 52 1.629 -6.254 7.541 307 H LEU 53 HN LEU 53 2.261 -4.672 4.496 308 HA LEU 53 HA LEU 53 3.679 -7.085 3.575 309 HB2 LEU 53 HB2 LEU 53 1.735 -5.384 2.001 310 HB3 LEU 53 HB1 LEU 53 2.633 -6.749 1.369 311 HG LEU 53 HG LEU 53 0.612 -6.966 3.596 312 HD11 LEU 53 HD11 LEU 53 -0.904 -7.883 1.914 313 HD12 LEU 53 HD12 LEU 53 0.271 -7.511 0.653 314 HD13 LEU 53 HD13 LEU 53 -0.484 -6.207 1.567 315 HD21 LEU 53 HD21 LEU 53 2.266 -8.748 3.572 316 HD22 LEU 53 HD22 LEU 53 1.948 -9.044 1.860 317 HD23 LEU 53 HD23 LEU 53 0.690 -9.355 3.060 318 H SER 54 HN SER 54 4.528 -6.297 1.140 319 HA SER 54 HA SER 54 6.369 -4.134 1.827 320 HB2 SER 54 HB2 SER 54 7.352 -6.227 1.003 321 HB3 SER 54 HB1 SER 54 6.411 -6.097 -0.480 322 HG SER 54 HG SER 54 8.653 -4.646 0.351 323 H MET 55 HN MET 55 6.577 -2.275 0.621 324 HA MET 55 HA MET 55 4.265 -1.279 -0.644 325 HB2 MET 55 HB2 MET 55 5.885 0.170 0.483 326 HB3 MET 55 HB1 MET 55 7.105 -0.243 -0.713 327 HG2 MET 55 HG2 MET 55 5.464 0.711 -2.432 328 HG3 MET 55 HG1 MET 55 4.640 1.421 -1.043 329 HE1 MET 55 HE1 MET 55 5.012 3.742 -2.364 330 HE2 MET 55 HE2 MET 55 6.014 3.002 -3.612 331 HE3 MET 55 HE3 MET 55 6.599 4.415 -2.730 332 H ARG 56 HN ARG 56 7.087 -2.920 -1.847 333 HA ARG 56 HA ARG 56 6.622 -2.194 -4.597 334 HB2 ARG 56 HB2 ARG 56 8.872 -2.809 -3.388 335 HB3 ARG 56 HB1 ARG 56 8.401 -4.454 -3.794 336 HG2 ARG 56 HG2 ARG 56 8.262 -3.812 -6.160 337 HG3 ARG 56 HG1 ARG 56 8.795 -2.185 -5.730 338 HD2 ARG 56 HD2 ARG 56 10.741 -3.278 -6.447 339 HD3 ARG 56 HD1 ARG 56 10.826 -3.308 -4.689 340 HE ARG 56 HE ARG 56 9.617 -5.669 -5.345 341 HH11 ARG 56 HH11 ARG 56 13.507 -5.609 -6.478 342 HH12 ARG 56 HH12 ARG 56 12.641 -4.062 -6.148 343 HH21 ARG 56 HH21 ARG 56 12.415 -7.625 -6.220 344 HH22 ARG 56 HH22 ARG 56 10.687 -7.657 -5.701 345 H GLN 57 HN GLN 57 5.186 -4.336 -2.514 346 HA GLN 57 HA GLN 57 4.727 -6.458 -4.437 347 HB2 GLN 57 HB2 GLN 57 4.989 -6.851 -1.959 348 HB3 GLN 57 HB1 GLN 57 3.436 -6.061 -1.732 349 HG2 GLN 57 HG2 GLN 57 2.505 -7.816 -3.330 350 HG3 GLN 57 HG1 GLN 57 4.030 -8.667 -3.085 351 HE21 GLN 57 HE21 GLN 57 1.354 -9.507 -2.379 352 HE22 GLN 57 HE22 GLN 57 1.350 -9.754 -0.668 353 H ILE 58 HN ILE 58 3.332 -3.493 -3.531 354 HA ILE 58 HA ILE 58 0.892 -4.150 -5.041 355 HB ILE 58 HB ILE 58 -0.176 -2.264 -3.667 356 HG12 ILE 58 HG12 ILE 58 2.162 -2.942 -1.864 357 HG13 ILE 58 HG11 ILE 58 1.889 -1.398 -2.664 358 HG21 ILE 58 HG21 ILE 58 -0.841 -4.571 -3.443 359 HG22 ILE 58 HG22 ILE 58 -0.767 -3.821 -1.848 360 HG23 ILE 58 HG23 ILE 58 0.527 -4.896 -2.378 361 HD11 ILE 58 HD11 ILE 58 0.181 -2.626 -0.512 362 HD12 ILE 58 HD12 ILE 58 -0.179 -1.121 -1.358 363 HD13 ILE 58 HD13 ILE 58 1.263 -1.242 -0.350 364 H ARG 59 HN ARG 59 -0.172 -2.106 -5.898 365 HA ARG 59 HA ARG 59 1.777 -0.048 -6.647 366 HB2 ARG 59 HB2 ARG 59 0.098 -1.685 -8.545 367 HB3 ARG 59 HB1 ARG 59 0.751 -0.118 -8.991 368 HG2 ARG 59 HG2 ARG 59 2.325 -2.569 -8.225 369 HG3 ARG 59 HG1 ARG 59 2.161 -1.874 -9.838 370 HD2 ARG 59 HD2 ARG 59 3.244 0.198 -8.993 371 HD3 ARG 59 HD1 ARG 59 3.506 -0.614 -7.451 372 HE ARG 59 HE ARG 59 4.988 -0.990 -9.890 373 HH11 ARG 59 HH11 ARG 59 5.448 -3.547 -6.769 374 HH12 ARG 59 HH12 ARG 59 4.078 -2.366 -6.777 375 HH21 ARG 59 HH21 ARG 59 6.768 -2.416 -9.888 376 HH22 ARG 59 HH22 ARG 59 6.955 -3.575 -8.517 377 H PHE 60 HN PHE 60 0.937 1.973 -6.724 378 HA PHE 60 HA PHE 60 -1.932 2.214 -6.142 379 HB2 PHE 60 HB2 PHE 60 0.446 3.906 -5.429 380 HB3 PHE 60 HB1 PHE 60 -1.168 4.605 -5.442 381 HD1 PHE 60 HD1 PHE 60 0.749 1.746 -4.019 382 HD2 PHE 60 HD2 PHE 60 -2.478 4.479 -3.549 383 HE1 PHE 60 HE1 PHE 60 0.383 0.910 -1.738 384 HE2 PHE 60 HE2 PHE 60 -2.852 3.646 -1.264 385 HZ PHE 60 HZ PHE 60 -1.425 1.862 -0.357 386 H ARG 61 HN ARG 61 -3.246 3.344 -7.453 387 HA ARG 61 HA ARG 61 -2.022 4.885 -9.637 388 HB2 ARG 61 HB2 ARG 61 -4.213 2.822 -9.862 389 HB3 ARG 61 HB1 ARG 61 -3.868 4.000 -11.121 390 HG2 ARG 61 HG2 ARG 61 -1.548 3.099 -11.235 391 HG3 ARG 61 HG1 ARG 61 -2.038 1.835 -10.104 392 HD2 ARG 61 HD2 ARG 61 -3.637 0.979 -11.648 393 HD3 ARG 61 HD1 ARG 61 -3.410 2.352 -12.729 394 HE ARG 61 HE ARG 61 -1.122 0.606 -12.196 395 HH11 ARG 61 HH11 ARG 61 -2.828 1.066 -15.840 396 HH12 ARG 61 HH12 ARG 61 -3.665 1.685 -14.367 397 HH21 ARG 61 HH21 ARG 61 -0.040 -0.233 -14.041 398 HH22 ARG 61 HH22 ARG 61 -0.816 -0.028 -15.656 399 H PHE 62 HN PHE 62 -2.994 6.767 -10.121 400 HA PHE 62 HA PHE 62 -5.435 7.442 -8.611 401 HB2 PHE 62 HB2 PHE 62 -3.685 8.820 -7.785 402 HB3 PHE 62 HB1 PHE 62 -3.043 9.109 -9.398 403 HD1 PHE 62 HD1 PHE 62 -5.992 9.786 -7.240 404 HD2 PHE 62 HD2 PHE 62 -3.671 11.004 -10.596 405 HE1 PHE 62 HE1 PHE 62 -7.298 11.865 -7.385 406 HE2 PHE 62 HE2 PHE 62 -4.978 13.085 -10.746 407 HZ PHE 62 HZ PHE 62 -6.792 13.518 -9.141 408 H ASP 63 HN ASP 63 -7.157 7.518 -9.879 409 HA ASP 63 HA ASP 63 -8.524 7.836 -11.669 410 HB2 ASP 63 HB2 ASP 63 -7.615 10.193 -11.285 411 HB3 ASP 63 HB1 ASP 63 -6.527 9.891 -12.635 412 H GLY 64 HN GLY 64 -6.314 5.907 -11.833 413 HA2 GLY 64 HA2 GLY 64 -5.995 4.282 -13.512 414 HA3 GLY 64 HA1 GLY 64 -6.426 5.480 -14.724 415 H GLN 65 HN GLN 65 -4.432 7.215 -12.964 416 HA GLN 65 HA GLN 65 -2.123 6.492 -14.617 417 HB2 GLN 65 HB2 GLN 65 -2.746 9.008 -13.058 418 HB3 GLN 65 HB1 GLN 65 -1.276 8.749 -13.989 419 HG2 GLN 65 HG2 GLN 65 -4.027 8.628 -15.191 420 HG3 GLN 65 HG1 GLN 65 -3.056 10.098 -15.126 421 HE21 GLN 65 HE21 GLN 65 -1.331 10.330 -16.497 422 HE22 GLN 65 HE22 GLN 65 -0.988 9.225 -17.783 423 HA PRO 66 HA PRO 66 -0.256 4.565 -11.024 424 HB2 PRO 66 HB2 PRO 66 2.176 4.876 -12.698 425 HB3 PRO 66 HB1 PRO 66 1.514 3.424 -11.936 426 HG2 PRO 66 HG2 PRO 66 1.303 3.763 -14.554 427 HG3 PRO 66 HG1 PRO 66 -0.032 3.061 -13.615 428 HD2 PRO 66 HD2 PRO 66 0.254 5.827 -14.710 429 HD3 PRO 66 HD1 PRO 66 -1.182 4.785 -14.624 430 H ILE 67 HN ILE 67 0.257 5.650 -9.270 431 HA ILE 67 HA ILE 67 1.243 8.331 -9.353 432 HB ILE 67 HB ILE 67 1.000 6.527 -6.941 433 HG12 ILE 67 HG12 ILE 67 -1.038 8.422 -8.129 434 HG13 ILE 67 HG11 ILE 67 -1.132 6.664 -8.153 435 HG21 ILE 67 HG21 ILE 67 1.043 9.535 -7.173 436 HG22 ILE 67 HG22 ILE 67 2.351 8.520 -6.563 437 HG23 ILE 67 HG23 ILE 67 0.826 8.616 -5.682 438 HD11 ILE 67 HD11 ILE 67 -1.242 8.442 -5.732 439 HD12 ILE 67 HD12 ILE 67 -1.207 6.681 -5.687 440 HD13 ILE 67 HD13 ILE 67 -2.566 7.516 -6.438 441 H ASN 68 HN ASN 68 3.253 9.112 -8.937 442 HA ASN 68 HA ASN 68 5.420 7.155 -8.911 443 HB2 ASN 68 HB2 ASN 68 5.553 10.177 -9.128 444 HB3 ASN 68 HB1 ASN 68 6.896 9.058 -9.347 445 HD21 ASN 68 HD21 ASN 68 4.119 10.505 -10.752 446 HD22 ASN 68 HD22 ASN 68 4.321 9.843 -12.345 447 H GLU 69 HN GLU 69 7.315 7.712 -7.467 448 HA GLU 69 HA GLU 69 6.340 7.889 -4.767 449 HB2 GLU 69 HB2 GLU 69 9.113 7.510 -5.897 450 HB3 GLU 69 HB1 GLU 69 8.744 7.495 -4.176 451 HG2 GLU 69 HG2 GLU 69 7.668 5.489 -4.275 452 HG3 GLU 69 HG1 GLU 69 7.216 5.681 -5.967 453 H THR 70 HN THR 70 6.882 10.217 -6.916 454 HA THR 70 HA THR 70 7.813 12.119 -4.868 455 HB THR 70 HB THR 70 8.406 13.320 -7.286 456 HG1 THR 70 HG1 THR 70 9.839 11.159 -7.821 457 HG21 THR 70 HG21 THR 70 9.788 13.404 -5.290 458 HG22 THR 70 HG22 THR 70 10.755 12.881 -6.667 459 HG23 THR 70 HG23 THR 70 10.203 11.704 -5.479 460 H ASP 71 HN ASP 71 5.107 11.185 -6.011 461 HA ASP 71 HA ASP 71 4.097 13.664 -7.156 462 HB2 ASP 71 HB2 ASP 71 3.097 10.881 -6.927 463 HB3 ASP 71 HB1 ASP 71 1.885 12.156 -6.937 464 H THR 72 HN THR 72 2.401 14.860 -6.249 465 HA THR 72 HA THR 72 1.832 14.360 -3.411 466 HB THR 72 HB THR 72 1.934 16.767 -2.944 467 HG1 THR 72 HG1 THR 72 2.831 18.162 -4.571 468 HG21 THR 72 HG21 THR 72 4.360 15.414 -4.048 469 HG22 THR 72 HG22 THR 72 3.973 15.838 -2.380 470 HG23 THR 72 HG23 THR 72 4.465 17.093 -3.514 471 HA PRO 73 HA PRO 73 -2.456 14.931 -4.372 472 HB2 PRO 73 HB2 PRO 73 -2.630 17.092 -2.337 473 HB3 PRO 73 HB1 PRO 73 -3.554 15.588 -2.463 474 HG2 PRO 73 HG2 PRO 73 -1.669 15.855 -0.615 475 HG3 PRO 73 HG1 PRO 73 -1.910 14.317 -1.469 476 HD2 PRO 73 HD2 PRO 73 0.210 16.380 -1.866 477 HD3 PRO 73 HD1 PRO 73 0.329 14.611 -1.937 478 H ALA 74 HN ALA 74 -0.647 17.929 -3.839 479 HA ALA 74 HA ALA 74 -2.383 19.551 -5.419 480 HB1 ALA 74 HB1 ALA 74 -0.718 21.274 -5.153 481 HB2 ALA 74 HB2 ALA 74 0.477 20.089 -4.625 482 HB3 ALA 74 HB3 ALA 74 -0.927 20.434 -3.614 483 H GLN 75 HN GLN 75 0.565 17.724 -6.027 484 HA GLN 75 HA GLN 75 1.143 18.788 -8.577 485 HB2 GLN 75 HB2 GLN 75 2.687 17.415 -7.100 486 HB3 GLN 75 HB1 GLN 75 1.800 15.996 -7.640 487 HG2 GLN 75 HG2 GLN 75 3.937 16.449 -8.858 488 HG3 GLN 75 HG1 GLN 75 2.509 16.284 -9.879 489 HE21 GLN 75 HE21 GLN 75 1.788 18.014 -11.048 490 HE22 GLN 75 HE22 GLN 75 2.656 19.505 -11.172 491 H LEU 76 HN LEU 76 -0.867 16.088 -7.518 492 HA LEU 76 HA LEU 76 -1.519 15.432 -10.279 493 HB2 LEU 76 HB2 LEU 76 -2.298 14.167 -7.658 494 HB3 LEU 76 HB1 LEU 76 -2.897 13.616 -9.210 495 HG LEU 76 HG LEU 76 -0.030 13.577 -8.268 496 HD11 LEU 76 HD11 LEU 76 -1.974 11.370 -8.918 497 HD12 LEU 76 HD12 LEU 76 -1.418 11.828 -7.310 498 HD13 LEU 76 HD13 LEU 76 -0.281 11.154 -8.477 499 HD21 LEU 76 HD21 LEU 76 0.004 14.086 -10.603 500 HD22 LEU 76 HD22 LEU 76 -1.229 12.873 -10.944 501 HD23 LEU 76 HD23 LEU 76 0.378 12.376 -10.420 502 H GLU 77 HN GLU 77 -2.503 17.733 -8.249 503 HA GLU 77 HA GLU 77 -4.323 19.074 -8.042 504 HB2 GLU 77 HB2 GLU 77 -5.202 17.794 -10.628 505 HB3 GLU 77 HB1 GLU 77 -5.781 19.318 -9.975 506 HG2 GLU 77 HG2 GLU 77 -3.682 20.361 -10.334 507 HG3 GLU 77 HG1 GLU 77 -2.916 18.821 -10.727 508 H MET 78 HN MET 78 -4.475 16.810 -6.549 509 HA MET 78 HA MET 78 -7.038 15.518 -6.910 510 HB2 MET 78 HB2 MET 78 -5.173 15.381 -4.534 511 HB3 MET 78 HB1 MET 78 -6.479 14.268 -4.915 512 HG2 MET 78 HG2 MET 78 -5.302 13.449 -6.832 513 HG3 MET 78 HG1 MET 78 -4.048 14.672 -6.636 514 HE1 MET 78 HE1 MET 78 -5.605 11.367 -5.330 515 HE2 MET 78 HE2 MET 78 -5.851 12.405 -3.929 516 HE3 MET 78 HE3 MET 78 -4.709 11.066 -3.844 517 H GLU 79 HN GLU 79 -8.803 15.697 -5.464 518 HA GLU 79 HA GLU 79 -8.747 18.131 -3.808 519 HB2 GLU 79 HB2 GLU 79 -10.662 17.300 -5.898 520 HB3 GLU 79 HB1 GLU 79 -11.375 17.936 -4.422 521 HG2 GLU 79 HG2 GLU 79 -9.531 19.302 -6.349 522 HG3 GLU 79 HG1 GLU 79 -11.150 19.782 -5.842 523 H ASP 80 HN ASP 80 -10.883 18.071 -2.387 524 HA ASP 80 HA ASP 80 -10.505 15.958 -0.547 525 HB2 ASP 80 HB2 ASP 80 -11.524 18.401 -0.279 526 HB3 ASP 80 HB1 ASP 80 -13.040 17.541 -0.529 527 H GLU 81 HN GLU 81 -11.730 14.175 -0.093 528 HA GLU 81 HA GLU 81 -13.138 12.432 -0.400 529 HB2 GLU 81 HB2 GLU 81 -14.660 14.590 -1.805 530 HB3 GLU 81 HB1 GLU 81 -15.202 12.924 -1.931 531 HG2 GLU 81 HG2 GLU 81 -14.629 13.704 0.807 532 HG3 GLU 81 HG1 GLU 81 -15.868 14.706 0.046 533 H ASP 82 HN ASP 82 -10.845 12.733 -2.025 534 HA ASP 82 HA ASP 82 -11.637 11.788 -4.670 535 HB2 ASP 82 HB2 ASP 82 -9.598 13.388 -3.992 536 HB3 ASP 82 HB1 ASP 82 -8.772 11.839 -3.844 537 H THR 83 HN THR 83 -9.962 9.866 -5.403 538 HA THR 83 HA THR 83 -9.828 7.863 -3.284 539 HB THR 83 HB THR 83 -11.383 7.339 -5.828 540 HG1 THR 83 HG1 THR 83 -12.111 8.503 -3.537 541 HG21 THR 83 HG21 THR 83 -11.973 5.215 -4.774 542 HG22 THR 83 HG22 THR 83 -10.979 5.619 -3.376 543 HG23 THR 83 HG23 THR 83 -10.224 5.351 -4.947 544 H ILE 84 HN ILE 84 -8.244 6.388 -3.549 545 HA ILE 84 HA ILE 84 -6.665 6.532 -6.033 546 HB ILE 84 HB ILE 84 -5.653 5.832 -3.272 547 HG12 ILE 84 HG12 ILE 84 -5.258 8.379 -4.862 548 HG13 ILE 84 HG11 ILE 84 -6.334 8.214 -3.480 549 HG21 ILE 84 HG21 ILE 84 -3.421 6.173 -4.375 550 HG22 ILE 84 HG22 ILE 84 -4.269 6.211 -5.920 551 HG23 ILE 84 HG23 ILE 84 -4.316 4.757 -4.924 552 HD11 ILE 84 HD11 ILE 84 -3.338 7.984 -3.486 553 HD12 ILE 84 HD12 ILE 84 -4.360 7.642 -2.091 554 HD13 ILE 84 HD13 ILE 84 -4.314 9.267 -2.774 555 H ASP 85 HN ASP 85 -6.184 4.663 -7.062 556 HA ASP 85 HA ASP 85 -7.572 2.266 -6.172 557 HB2 ASP 85 HB2 ASP 85 -6.035 2.849 -8.713 558 HB3 ASP 85 HB1 ASP 85 -6.943 1.377 -8.394 559 H VAL 86 HN VAL 86 -6.624 0.414 -5.506 560 HA VAL 86 HA VAL 86 -3.677 0.344 -5.414 561 HB VAL 86 HB VAL 86 -5.522 -0.921 -3.379 562 HG11 VAL 86 HG11 VAL 86 -3.506 -1.259 -2.078 563 HG12 VAL 86 HG12 VAL 86 -2.541 -0.449 -3.317 564 HG13 VAL 86 HG13 VAL 86 -3.323 -1.992 -3.672 565 HG21 VAL 86 HG21 VAL 86 -4.836 0.860 -1.841 566 HG22 VAL 86 HG22 VAL 86 -5.703 1.506 -3.238 567 HG23 VAL 86 HG23 VAL 86 -3.945 1.643 -3.149 568 H PHE 87 HN PHE 87 -2.802 -1.327 -6.465 569 HA PHE 87 HA PHE 87 -4.444 -3.740 -6.873 570 HB2 PHE 87 HB2 PHE 87 -2.555 -2.475 -8.881 571 HB3 PHE 87 HB1 PHE 87 -3.433 -3.984 -9.112 572 HD1 PHE 87 HD1 PHE 87 -6.008 -3.857 -8.981 573 HD2 PHE 87 HD2 PHE 87 -3.498 -0.470 -9.557 574 HE1 PHE 87 HE1 PHE 87 -7.913 -2.608 -9.907 575 HE2 PHE 87 HE2 PHE 87 -5.400 0.788 -10.486 576 HZ PHE 87 HZ PHE 87 -7.614 -0.285 -10.664 577 H GLN 88 HN GLN 88 -3.237 -5.722 -7.107 578 HA GLN 88 HA GLN 88 -0.736 -5.641 -5.587 579 HB2 GLN 88 HB2 GLN 88 -2.583 -7.928 -6.284 580 HB3 GLN 88 HB1 GLN 88 -1.062 -8.125 -5.425 581 HG2 GLN 88 HG2 GLN 88 -1.993 -6.500 -3.711 582 HG3 GLN 88 HG1 GLN 88 -3.552 -6.728 -4.502 583 HE21 GLN 88 HE21 GLN 88 -4.463 -7.673 -2.683 584 HE22 GLN 88 HE22 GLN 88 -4.058 -9.273 -2.175 585 H GLN 89 HN GLN 89 1.181 -6.347 -6.374 586 HA GLN 89 HA GLN 89 1.540 -6.380 -9.199 587 HB2 GLN 89 HB2 GLN 89 3.245 -5.535 -7.604 588 HB3 GLN 89 HB1 GLN 89 3.484 -7.172 -7.013 589 HG2 GLN 89 HG2 GLN 89 5.250 -6.654 -8.522 590 HG3 GLN 89 HG1 GLN 89 4.193 -7.834 -9.295 591 HE21 GLN 89 HE21 GLN 89 4.868 -7.277 -11.337 592 HE22 GLN 89 HE22 GLN 89 4.419 -5.795 -12.099 593 H GLN 90 HN GLN 90 1.913 -8.062 -10.575 594 HA GLN 90 HA GLN 90 0.727 -10.534 -10.073 595 HB2 GLN 90 HB2 GLN 90 2.706 -9.666 -12.176 596 HB3 GLN 90 HB1 GLN 90 1.976 -11.264 -12.163 597 HG2 GLN 90 HG2 GLN 90 0.687 -10.019 -13.658 598 HG3 GLN 90 HG1 GLN 90 -0.266 -10.076 -12.178 599 HE21 GLN 90 HE21 GLN 90 -1.409 -8.244 -12.792 600 HE22 GLN 90 HE22 GLN 90 -0.717 -6.661 -12.724 601 H THR 91 HN THR 91 1.460 -12.497 -9.476 602 HA THR 91 HA THR 91 3.918 -12.593 -7.978 603 HB THR 91 HB THR 91 3.073 -15.100 -7.809 604 HG1 THR 91 HG1 THR 91 0.986 -15.363 -8.358 605 HG21 THR 91 HG21 THR 91 1.651 -12.786 -6.482 606 HG22 THR 91 HG22 THR 91 3.165 -13.508 -5.946 607 HG23 THR 91 HG23 THR 91 1.677 -14.450 -5.903 608 H GLY 92 HN GLY 92 2.707 -13.770 -11.032 609 HA2 GLY 92 HA2 GLY 92 5.206 -14.154 -12.199 610 HA3 GLY 92 HA1 GLY 92 4.687 -15.710 -11.562 611 H ASN 357 HT1 ASN 357 -19.760 -3.709 7.614 612 HA ASN 357 HA ASN 357 -18.691 -2.004 5.448 613 HB2 ASN 357 HB2 ASN 357 -20.447 -0.846 6.703 614 HB3 ASN 357 HB1 ASN 357 -19.702 -1.310 8.228 615 HD21 ASN 357 HD21 ASN 357 -19.657 0.874 5.566 616 HD22 ASN 357 HD22 ASN 357 -18.407 1.910 6.162 617 H ASN 358 HN ASN 358 -16.525 -1.957 5.407 618 HA ASN 358 HA ASN 358 -15.106 -2.640 7.911 619 HB2 ASN 358 HB2 ASN 358 -14.874 -4.425 6.218 620 HB3 ASN 358 HB1 ASN 358 -14.275 -3.259 5.046 621 HD21 ASN 358 HD21 ASN 358 -12.416 -4.588 4.845 622 HD22 ASN 358 HD22 ASN 358 -11.155 -4.522 6.026 623 H ARG 359 HN ARG 359 -14.009 -0.995 8.685 624 HA ARG 359 HA ARG 359 -13.026 1.055 6.820 625 HB2 ARG 359 HB2 ARG 359 -13.587 2.798 8.459 626 HB3 ARG 359 HB1 ARG 359 -15.019 1.925 7.914 627 HG2 ARG 359 HG2 ARG 359 -14.457 0.463 10.058 628 HG3 ARG 359 HG1 ARG 359 -13.713 1.981 10.562 629 HD2 ARG 359 HD2 ARG 359 -15.775 3.155 10.287 630 HD3 ARG 359 HD1 ARG 359 -16.540 1.737 9.568 631 HE ARG 359 HE ARG 359 -16.035 0.696 11.855 632 HH11 ARG 359 HH11 ARG 359 -17.614 4.282 12.884 633 HH12 ARG 359 HH12 ARG 359 -16.933 4.024 11.235 634 HH21 ARG 359 HH21 ARG 359 -16.929 0.934 13.948 635 HH22 ARG 359 HH22 ARG 359 -17.647 2.527 14.404 636 H ASP 360 HN ASP 360 -10.977 1.591 7.019 637 HA ASP 360 HA ASP 360 -9.603 0.922 9.532 638 HB2 ASP 360 HB2 ASP 360 -8.983 -0.526 7.518 639 HB3 ASP 360 HB1 ASP 360 -8.249 0.918 6.835 640 HA PRO 361 HA PRO 361 -8.588 5.239 8.946 641 HB2 PRO 361 HB2 PRO 361 -8.145 5.786 11.564 642 HB3 PRO 361 HB1 PRO 361 -9.763 5.456 10.932 643 HG2 PRO 361 HG2 PRO 361 -8.157 3.833 12.725 644 HG3 PRO 361 HG1 PRO 361 -9.860 3.641 12.272 645 HD2 PRO 361 HD2 PRO 361 -7.487 2.276 11.188 646 HD3 PRO 361 HD1 PRO 361 -9.202 1.824 11.076 647 H ILE 362 HN ILE 362 -6.772 6.095 8.257 648 HA ILE 362 HA ILE 362 -4.241 5.405 9.587 649 HB ILE 362 HB ILE 362 -4.506 6.084 6.661 650 HG12 ILE 362 HG12 ILE 362 -4.445 3.378 8.022 651 HG13 ILE 362 HG11 ILE 362 -5.700 4.010 6.963 652 HG21 ILE 362 HG21 ILE 362 -2.238 5.065 6.551 653 HG22 ILE 362 HG22 ILE 362 -2.257 4.929 8.310 654 HG23 ILE 362 HG23 ILE 362 -2.311 6.519 7.547 655 HD11 ILE 362 HD11 ILE 362 -2.894 3.328 6.128 656 HD12 ILE 362 HD12 ILE 362 -4.191 3.899 5.076 657 HD13 ILE 362 HD13 ILE 362 -4.324 2.326 5.866 658 H VAL 363 HN VAL 363 -3.002 7.025 10.212 659 HA VAL 363 HA VAL 363 -3.785 9.750 9.437 660 HB VAL 363 HB VAL 363 -2.359 9.054 12.002 661 HG11 VAL 363 HG11 VAL 363 -2.080 11.309 11.671 662 HG12 VAL 363 HG12 VAL 363 -3.585 11.296 12.592 663 HG13 VAL 363 HG13 VAL 363 -3.623 11.491 10.840 664 HG21 VAL 363 HG21 VAL 363 -4.538 9.259 13.146 665 HG22 VAL 363 HG22 VAL 363 -4.469 7.872 12.059 666 HG23 VAL 363 HG23 VAL 363 -5.334 9.328 11.576 667 H ILE 364 HN ILE 364 -2.230 11.099 8.736 668 HA ILE 364 HA ILE 364 0.420 9.898 8.358 669 HB ILE 364 HB ILE 364 -1.236 10.721 6.368 670 HG12 ILE 364 HG12 ILE 364 0.588 10.408 4.916 671 HG13 ILE 364 HG11 ILE 364 1.748 11.045 6.082 672 HG21 ILE 364 HG21 ILE 364 -0.291 12.812 5.447 673 HG22 ILE 364 HG22 ILE 364 0.612 13.034 6.943 674 HG23 ILE 364 HG23 ILE 364 -1.149 13.057 6.967 675 HD11 ILE 364 HD11 ILE 364 0.270 8.605 6.859 676 HD12 ILE 364 HD12 ILE 364 1.950 9.062 7.151 677 HD13 ILE 364 HD13 ILE 364 1.465 8.449 5.570 678 H SEP 365 HN SEP 365 2.222 11.069 8.684 679 HA SEP 365 HA SEP 365 1.878 13.430 10.384 680 HB2 SEP 365 HB1 SEP 365 3.094 11.871 11.630 681 HB3 SEP 365 HB2 SEP 365 4.414 12.721 10.819 682 H ASP 366 HN ASP 366 2.587 15.302 9.652 683 HA ASP 366 HA ASP 366 4.291 15.345 7.260 684 HB2 ASP 366 HB2 ASP 366 2.017 15.927 6.642 685 HB3 ASP 366 HB1 ASP 366 1.938 17.116 7.935 686 H SEP 367 HN SEP 367 6.057 16.576 7.380 687 HA SEP 367 HA SEP 367 7.041 17.618 9.731 688 HB2 SEP 367 HB1 SEP 367 8.827 17.728 8.378 689 HB3 SEP 367 HB2 SEP 367 8.125 19.147 7.604 690 HA PRO 368 HA PRO 368 4.464 21.153 10.572 691 HB2 PRO 368 HB2 PRO 368 7.022 22.109 11.779 692 HB3 PRO 368 HB1 PRO 368 5.395 22.074 12.474 693 HG2 PRO 368 HG2 PRO 368 7.189 20.273 13.212 694 HG3 PRO 368 HG1 PRO 368 5.489 19.823 12.972 695 HD2 PRO 368 HD2 PRO 368 7.847 19.266 11.248 696 HD3 PRO 368 HD1 PRO 368 6.386 18.294 11.525 Start of MODEL 13 1 H ASP 16 HT1 ASP 16 -4.555 23.201 4.629 2 HA ASP 16 HA ASP 16 -6.042 22.559 7.090 3 HB2 ASP 16 HB2 ASP 16 -7.078 23.412 4.474 4 HB3 ASP 16 HB1 ASP 16 -7.724 21.871 5.026 5 H HIS 17 HN HIS 17 -7.284 20.378 6.293 6 HA HIS 17 HA HIS 17 -5.155 18.620 5.266 7 HB2 HIS 17 HB2 HIS 17 -7.270 18.152 7.368 8 HB3 HIS 17 HB1 HIS 17 -6.454 16.816 6.564 9 HD2 HIS 17 HD2 HIS 17 -3.486 17.112 6.850 10 HE1 HIS 17 HE1 HIS 17 -4.062 18.729 10.719 11 HE2 HIS 17 HE2 HIS 17 -2.353 17.844 9.070 12 H ILE 18 HN ILE 18 -5.760 16.990 3.797 13 HA ILE 18 HA ILE 18 -8.372 17.484 2.535 14 HB ILE 18 HB ILE 18 -6.522 17.921 1.028 15 HG12 ILE 18 HG12 ILE 18 -7.880 15.316 0.307 16 HG13 ILE 18 HG11 ILE 18 -8.586 16.917 0.115 17 HG21 ILE 18 HG21 ILE 18 -4.982 16.142 0.329 18 HG22 ILE 18 HG22 ILE 18 -5.664 15.086 1.565 19 HG23 ILE 18 HG23 ILE 18 -4.810 16.554 2.035 20 HD11 ILE 18 HD11 ILE 18 -6.118 15.902 -1.280 21 HD12 ILE 18 HD12 ILE 18 -6.837 17.501 -1.479 22 HD13 ILE 18 HD13 ILE 18 -7.725 16.066 -1.989 23 H ASN 19 HN ASN 19 -9.836 15.900 2.388 24 HA ASN 19 HA ASN 19 -9.245 13.439 3.826 25 HB2 ASN 19 HB2 ASN 19 -11.734 14.839 2.977 26 HB3 ASN 19 HB1 ASN 19 -11.807 13.098 3.229 27 HD21 ASN 19 HD21 ASN 19 -11.409 16.193 4.713 28 HD22 ASN 19 HD22 ASN 19 -11.531 15.652 6.350 29 H LEU 20 HN LEU 20 -8.090 12.111 2.553 30 HA LEU 20 HA LEU 20 -9.173 11.474 -0.103 31 HB2 LEU 20 HB2 LEU 20 -6.461 10.930 1.114 32 HB3 LEU 20 HB1 LEU 20 -6.969 10.342 -0.457 33 HG LEU 20 HG LEU 20 -6.715 13.251 0.304 34 HD11 LEU 20 HD11 LEU 20 -4.942 11.489 -1.381 35 HD12 LEU 20 HD12 LEU 20 -4.542 12.178 0.194 36 HD13 LEU 20 HD13 LEU 20 -4.775 13.235 -1.200 37 HD21 LEU 20 HD21 LEU 20 -6.938 13.590 -2.154 38 HD22 LEU 20 HD22 LEU 20 -8.400 12.991 -1.371 39 HD23 LEU 20 HD23 LEU 20 -7.382 11.889 -2.301 40 H LYS 21 HN LYS 21 -9.728 9.358 -0.621 41 HA LYS 21 HA LYS 21 -9.776 7.509 1.669 42 HB2 LYS 21 HB2 LYS 21 -11.825 7.866 -0.523 43 HB3 LYS 21 HB1 LYS 21 -11.860 6.570 0.667 44 HG2 LYS 21 HG2 LYS 21 -12.196 8.105 2.451 45 HG3 LYS 21 HG1 LYS 21 -11.878 9.485 1.401 46 HD2 LYS 21 HD2 LYS 21 -13.899 9.086 0.167 47 HD3 LYS 21 HD1 LYS 21 -14.187 7.579 1.040 48 HE2 LYS 21 HE2 LYS 21 -14.465 8.812 3.114 49 HE3 LYS 21 HE1 LYS 21 -14.095 10.324 2.288 50 HZ1 LYS 21 HZ1 LYS 21 -16.091 10.272 1.131 51 HZ2 LYS 21 HZ2 LYS 21 -16.525 9.748 2.684 52 HZ3 LYS 21 HZ3 LYS 21 -16.354 8.625 1.437 53 H VAL 22 HN VAL 22 -8.808 5.641 1.415 54 HA VAL 22 HA VAL 22 -7.957 4.859 -1.294 55 HB VAL 22 HB VAL 22 -6.800 4.056 1.385 56 HG11 VAL 22 HG11 VAL 22 -6.572 2.276 -0.269 57 HG12 VAL 22 HG12 VAL 22 -5.009 3.012 0.087 58 HG13 VAL 22 HG13 VAL 22 -5.854 3.418 -1.406 59 HG21 VAL 22 HG21 VAL 22 -4.888 5.409 0.778 60 HG22 VAL 22 HG22 VAL 22 -6.351 6.393 0.772 61 HG23 VAL 22 HG23 VAL 22 -5.651 5.844 -0.750 62 H ALA 23 HN ALA 23 -8.874 3.103 -2.166 63 HA ALA 23 HA ALA 23 -10.273 1.256 -0.341 64 HB1 ALA 23 HB1 ALA 23 -11.932 0.883 -2.075 65 HB2 ALA 23 HB2 ALA 23 -11.080 1.986 -3.155 66 HB3 ALA 23 HB3 ALA 23 -11.834 2.598 -1.681 67 H GLY 24 HN GLY 24 -9.368 -0.675 -0.267 68 HA2 GLY 24 HA2 GLY 24 -7.546 -1.542 -2.344 69 HA3 GLY 24 HA1 GLY 24 -7.918 -2.397 -0.851 70 H GLN 25 HN GLN 25 -7.739 -3.768 -3.251 71 HA GLN 25 HA GLN 25 -10.211 -4.068 -4.590 72 HB2 GLN 25 HB2 GLN 25 -8.089 -6.197 -4.340 73 HB3 GLN 25 HB1 GLN 25 -9.273 -6.010 -5.622 74 HG2 GLN 25 HG2 GLN 25 -6.890 -4.269 -5.063 75 HG3 GLN 25 HG1 GLN 25 -7.154 -5.324 -6.450 76 HE21 GLN 25 HE21 GLN 25 -6.594 -2.471 -6.280 77 HE22 GLN 25 HE22 GLN 25 -7.880 -1.670 -7.125 78 H ASP 26 HN ASP 26 -9.254 -5.024 -1.507 79 HA ASP 26 HA ASP 26 -10.988 -7.349 -1.385 80 HB2 ASP 26 HB2 ASP 26 -10.025 -7.812 0.690 81 HB3 ASP 26 HB1 ASP 26 -8.703 -7.072 -0.202 82 H GLY 27 HN GLY 27 -11.390 -4.056 -1.155 83 HA2 GLY 27 HA2 GLY 27 -13.449 -2.996 -0.754 84 HA3 GLY 27 HA1 GLY 27 -13.989 -4.423 0.117 85 H SER 28 HN SER 28 -11.112 -2.398 0.551 86 HA SER 28 HA SER 28 -11.854 -2.070 3.372 87 HB2 SER 28 HB2 SER 28 -9.349 -1.113 3.289 88 HB3 SER 28 HB1 SER 28 -9.683 -2.838 3.427 89 HG SER 28 HG SER 28 -9.073 -3.156 1.395 90 H VAL 29 HN VAL 29 -12.671 -0.188 4.017 91 HA VAL 29 HA VAL 29 -12.445 2.150 2.282 92 HB VAL 29 HB VAL 29 -14.120 1.715 4.765 93 HG11 VAL 29 HG11 VAL 29 -13.702 4.049 4.536 94 HG12 VAL 29 HG12 VAL 29 -15.344 3.743 3.971 95 HG13 VAL 29 HG13 VAL 29 -14.046 4.000 2.807 96 HG21 VAL 29 HG21 VAL 29 -16.015 1.548 3.234 97 HG22 VAL 29 HG22 VAL 29 -14.818 0.292 2.910 98 HG23 VAL 29 HG23 VAL 29 -14.921 1.704 1.858 99 H VAL 30 HN VAL 30 -10.387 2.931 2.641 100 HA VAL 30 HA VAL 30 -9.617 3.425 5.427 101 HB VAL 30 HB VAL 30 -7.888 3.660 2.966 102 HG11 VAL 30 HG11 VAL 30 -6.069 3.430 4.724 103 HG12 VAL 30 HG12 VAL 30 -7.329 3.751 5.917 104 HG13 VAL 30 HG13 VAL 30 -6.946 4.959 4.689 105 HG21 VAL 30 HG21 VAL 30 -8.649 1.340 4.622 106 HG22 VAL 30 HG22 VAL 30 -6.937 1.495 4.237 107 HG23 VAL 30 HG23 VAL 30 -8.130 1.413 2.938 108 H GLN 31 HN GLN 31 -9.620 5.354 6.274 109 HA GLN 31 HA GLN 31 -10.094 7.691 4.564 110 HB2 GLN 31 HB2 GLN 31 -11.620 7.202 6.517 111 HB3 GLN 31 HB1 GLN 31 -10.255 7.492 7.583 112 HG2 GLN 31 HG2 GLN 31 -11.011 9.608 5.632 113 HG3 GLN 31 HG1 GLN 31 -12.012 9.373 7.063 114 HE21 GLN 31 HE21 GLN 31 -10.438 11.679 6.390 115 HE22 GLN 31 HE22 GLN 31 -9.274 11.872 7.651 116 H PHE 32 HN PHE 32 -8.438 8.993 4.117 117 HA PHE 32 HA PHE 32 -6.035 8.809 5.814 118 HB2 PHE 32 HB2 PHE 32 -6.440 8.763 2.935 119 HB3 PHE 32 HB1 PHE 32 -5.285 9.999 3.415 120 HD1 PHE 32 HD1 PHE 32 -5.889 6.479 2.991 121 HD2 PHE 32 HD2 PHE 32 -3.243 9.350 4.669 122 HE1 PHE 32 HE1 PHE 32 -4.130 4.766 3.136 123 HE2 PHE 32 HE2 PHE 32 -1.479 7.645 4.821 124 HZ PHE 32 HZ PHE 32 -1.922 5.347 4.050 125 H LYS 33 HN LYS 33 -5.897 10.501 7.140 126 HA LYS 33 HA LYS 33 -6.800 13.127 6.214 127 HB2 LYS 33 HB2 LYS 33 -7.377 12.280 8.545 128 HB3 LYS 33 HB1 LYS 33 -5.672 12.445 8.942 129 HG2 LYS 33 HG2 LYS 33 -5.754 14.816 8.554 130 HG3 LYS 33 HG1 LYS 33 -7.412 14.700 7.967 131 HD2 LYS 33 HD2 LYS 33 -8.087 13.870 10.215 132 HD3 LYS 33 HD1 LYS 33 -6.438 14.175 10.773 133 HE2 LYS 33 HE2 LYS 33 -6.671 16.533 10.268 134 HE3 LYS 33 HE1 LYS 33 -8.271 16.256 9.585 135 HZ1 LYS 33 HZ1 LYS 33 -8.989 15.501 11.804 136 HZ2 LYS 33 HZ2 LYS 33 -8.496 17.117 11.785 137 HZ3 LYS 33 HZ3 LYS 33 -7.474 15.930 12.425 138 H ILE 34 HN ILE 34 -5.247 13.598 4.712 139 HA ILE 34 HA ILE 34 -2.500 13.913 5.730 140 HB ILE 34 HB ILE 34 -2.789 12.085 4.035 141 HG12 ILE 34 HG12 ILE 34 -1.072 14.416 3.151 142 HG13 ILE 34 HG11 ILE 34 -0.609 13.160 4.291 143 HG21 ILE 34 HG21 ILE 34 -3.487 14.370 2.205 144 HG22 ILE 34 HG22 ILE 34 -4.558 13.066 2.721 145 HG23 ILE 34 HG23 ILE 34 -3.167 12.714 1.693 146 HD11 ILE 34 HD11 ILE 34 0.404 12.677 2.196 147 HD12 ILE 34 HD12 ILE 34 -1.136 12.843 1.354 148 HD13 ILE 34 HD13 ILE 34 -0.877 11.497 2.465 149 H LYS 35 HN LYS 35 -1.257 15.653 4.550 150 HA LYS 35 HA LYS 35 -2.927 18.004 4.203 151 HB2 LYS 35 HB2 LYS 35 0.050 17.544 4.337 152 HB3 LYS 35 HB1 LYS 35 -0.603 19.077 3.784 153 HG2 LYS 35 HG2 LYS 35 -1.676 18.102 6.340 154 HG3 LYS 35 HG1 LYS 35 0.035 18.538 6.338 155 HD2 LYS 35 HD2 LYS 35 -0.763 20.687 5.134 156 HD3 LYS 35 HD1 LYS 35 -2.355 20.251 5.761 157 HE2 LYS 35 HE2 LYS 35 -1.468 21.676 7.384 158 HE3 LYS 35 HE1 LYS 35 -1.206 20.064 8.035 159 HZ1 LYS 35 HZ1 LYS 35 0.821 21.737 6.659 160 HZ2 LYS 35 HZ2 LYS 35 1.094 20.166 7.226 161 HZ3 LYS 35 HZ3 LYS 35 0.754 21.420 8.315 162 H ARG 36 HN ARG 36 -2.100 19.485 2.253 163 HA ARG 36 HA ARG 36 -2.459 17.811 -0.104 164 HB2 ARG 36 HB2 ARG 36 -2.399 20.824 0.113 165 HB3 ARG 36 HB1 ARG 36 -2.851 19.898 -1.314 166 HG2 ARG 36 HG2 ARG 36 -4.694 18.883 0.092 167 HG3 ARG 36 HG1 ARG 36 -4.321 20.117 1.296 168 HD2 ARG 36 HD2 ARG 36 -5.870 21.302 0.171 169 HD3 ARG 36 HD1 ARG 36 -4.519 21.650 -0.905 170 HE ARG 36 HE ARG 36 -5.353 19.742 -2.277 171 HH11 ARG 36 HH11 ARG 36 -7.505 21.458 -0.091 172 HH12 ARG 36 HH12 ARG 36 -8.976 21.090 -1.066 173 HH21 ARG 36 HH21 ARG 36 -7.208 19.215 -3.529 174 HH22 ARG 36 HH22 ARG 36 -8.823 19.835 -2.983 175 H HIS 37 HN HIS 37 0.079 19.264 1.584 176 HA HIS 37 HA HIS 37 1.789 19.346 -0.795 177 HB2 HIS 37 HB2 HIS 37 3.210 20.813 0.311 178 HB3 HIS 37 HB1 HIS 37 1.641 21.272 0.957 179 HD2 HIS 37 HD2 HIS 37 1.158 20.023 3.587 180 HE1 HIS 37 HE1 HIS 37 5.304 20.037 4.411 181 HE2 HIS 37 HE2 HIS 37 3.006 19.517 5.342 182 H THR 38 HN THR 38 1.062 17.334 1.839 183 HA THR 38 HA THR 38 3.614 16.160 2.253 184 HB THR 38 HB THR 38 1.000 14.758 2.765 185 HG1 THR 38 HG1 THR 38 2.207 16.579 4.597 186 HG21 THR 38 HG21 THR 38 3.625 14.803 4.261 187 HG22 THR 38 HG22 THR 38 3.084 13.517 3.183 188 HG23 THR 38 HG23 THR 38 2.208 13.840 4.678 189 HA PRO 39 HA PRO 39 3.987 13.860 -1.558 190 HB2 PRO 39 HB2 PRO 39 5.688 12.131 0.158 191 HB3 PRO 39 HB1 PRO 39 6.061 12.900 -1.391 192 HG2 PRO 39 HG2 PRO 39 7.074 13.869 0.857 193 HG3 PRO 39 HG1 PRO 39 6.524 14.945 -0.443 194 HD2 PRO 39 HD2 PRO 39 5.210 14.301 2.152 195 HD3 PRO 39 HD1 PRO 39 5.257 15.830 1.251 196 H LEU 40 HN LEU 40 2.891 12.233 -2.434 197 HA LEU 40 HA LEU 40 1.135 10.646 -0.860 198 HB2 LEU 40 HB2 LEU 40 1.887 10.580 -3.776 199 HB3 LEU 40 HB1 LEU 40 0.724 9.469 -3.077 200 HG LEU 40 HG LEU 40 0.433 12.472 -3.054 201 HD11 LEU 40 HD11 LEU 40 -1.267 12.138 -4.768 202 HD12 LEU 40 HD12 LEU 40 -0.884 10.416 -4.818 203 HD13 LEU 40 HD13 LEU 40 0.319 11.602 -5.326 204 HD21 LEU 40 HD21 LEU 40 -1.462 10.248 -2.312 205 HD22 LEU 40 HD22 LEU 40 -1.895 11.953 -2.424 206 HD23 LEU 40 HD23 LEU 40 -0.731 11.417 -1.215 207 H SER 41 HN SER 41 4.389 10.307 -1.718 208 HA SER 41 HA SER 41 4.677 7.528 -1.913 209 HB2 SER 41 HB2 SER 41 6.923 8.716 -0.564 210 HB3 SER 41 HB1 SER 41 6.807 8.168 -2.239 211 HG SER 41 HG SER 41 7.157 10.288 -2.464 212 H LYS 42 HN LYS 42 4.475 9.716 0.824 213 HA LYS 42 HA LYS 42 5.101 7.769 2.816 214 HB2 LYS 42 HB2 LYS 42 5.030 10.449 2.864 215 HB3 LYS 42 HB1 LYS 42 3.416 10.130 3.487 216 HG2 LYS 42 HG2 LYS 42 4.488 8.637 5.200 217 HG3 LYS 42 HG1 LYS 42 6.045 9.262 4.658 218 HD2 LYS 42 HD2 LYS 42 5.067 11.581 5.104 219 HD3 LYS 42 HD1 LYS 42 3.787 10.741 5.984 220 HE2 LYS 42 HE2 LYS 42 5.673 9.592 7.266 221 HE3 LYS 42 HE1 LYS 42 6.730 10.817 6.577 222 HZ1 LYS 42 HZ1 LYS 42 6.152 11.888 8.461 223 HZ2 LYS 42 HZ2 LYS 42 4.679 11.071 8.635 224 HZ3 LYS 42 HZ3 LYS 42 4.818 12.364 7.541 225 H LEU 43 HN LEU 43 2.200 8.989 1.296 226 HA LEU 43 HA LEU 43 0.273 7.805 2.964 227 HB2 LEU 43 HB2 LEU 43 -0.184 9.570 1.273 228 HB3 LEU 43 HB1 LEU 43 0.100 8.398 0.002 229 HG LEU 43 HG LEU 43 -1.981 7.659 1.966 230 HD11 LEU 43 HD11 LEU 43 -2.473 10.008 1.787 231 HD12 LEU 43 HD12 LEU 43 -3.656 9.099 0.843 232 HD13 LEU 43 HD13 LEU 43 -2.336 9.943 0.029 233 HD21 LEU 43 HD21 LEU 43 -1.888 7.662 -1.054 234 HD22 LEU 43 HD22 LEU 43 -3.102 6.878 -0.043 235 HD23 LEU 43 HD23 LEU 43 -1.436 6.305 -0.022 236 H MET 44 HN MET 44 1.867 6.681 0.011 237 HA MET 44 HA MET 44 0.530 4.229 -0.241 238 HB2 MET 44 HB2 MET 44 3.317 5.039 -1.091 239 HB3 MET 44 HB1 MET 44 2.557 3.521 -1.551 240 HG2 MET 44 HG2 MET 44 0.697 4.920 -2.552 241 HG3 MET 44 HG1 MET 44 1.758 6.310 -2.326 242 HE1 MET 44 HE1 MET 44 3.848 6.837 -3.763 243 HE2 MET 44 HE2 MET 44 4.697 5.630 -4.730 244 HE3 MET 44 HE3 MET 44 4.601 5.449 -2.978 245 H LYS 45 HN LYS 45 3.519 5.091 1.425 246 HA LYS 45 HA LYS 45 4.150 2.492 2.315 247 HB2 LYS 45 HB2 LYS 45 5.049 5.246 2.947 248 HB3 LYS 45 HB1 LYS 45 5.360 4.017 4.167 249 HG2 LYS 45 HG2 LYS 45 6.510 2.656 2.463 250 HG3 LYS 45 HG1 LYS 45 6.260 3.953 1.291 251 HD2 LYS 45 HD2 LYS 45 7.654 4.442 3.907 252 HD3 LYS 45 HD1 LYS 45 8.523 3.828 2.501 253 HE2 LYS 45 HE2 LYS 45 7.717 5.787 1.213 254 HE3 LYS 45 HE1 LYS 45 6.989 6.415 2.689 255 HZ1 LYS 45 HZ1 LYS 45 9.127 6.605 3.687 256 HZ2 LYS 45 HZ2 LYS 45 9.203 7.352 2.173 257 HZ3 LYS 45 HZ3 LYS 45 9.878 5.816 2.392 258 H ALA 46 HN ALA 46 2.300 5.131 3.784 259 HA ALA 46 HA ALA 46 1.965 4.045 6.333 260 HB1 ALA 46 HB1 ALA 46 1.371 6.335 5.833 261 HB2 ALA 46 HB2 ALA 46 -0.028 5.489 6.493 262 HB3 ALA 46 HB3 ALA 46 0.079 5.794 4.759 263 H TYR 47 HN TYR 47 -0.096 3.674 3.445 264 HA TYR 47 HA TYR 47 -1.958 1.937 4.702 265 HB2 TYR 47 HB2 TYR 47 -2.525 3.155 2.646 266 HB3 TYR 47 HB1 TYR 47 -1.292 2.264 1.764 267 HD1 TYR 47 HD1 TYR 47 -1.840 0.248 0.695 268 HD2 TYR 47 HD2 TYR 47 -4.448 1.791 3.680 269 HE1 TYR 47 HE1 TYR 47 -3.493 -1.489 0.142 270 HE2 TYR 47 HE2 TYR 47 -6.106 0.060 3.136 271 HH TYR 47 HH TYR 47 -6.719 -1.431 1.394 272 H CYS 48 HN CYS 48 1.031 1.462 2.938 273 HA CYS 48 HA CYS 48 0.883 -1.316 2.590 274 HB2 CYS 48 HB2 CYS 48 2.535 0.431 1.603 275 HB3 CYS 48 HB1 CYS 48 3.478 0.115 3.056 276 HG CYS 48 HG CYS 48 4.008 -2.500 2.538 277 H GLU 49 HN GLU 49 2.309 0.634 5.190 278 HA GLU 49 HA GLU 49 3.255 -1.561 6.708 279 HB2 GLU 49 HB2 GLU 49 2.527 1.240 7.593 280 HB3 GLU 49 HB1 GLU 49 3.417 0.078 8.563 281 HG2 GLU 49 HG2 GLU 49 4.332 1.210 5.927 282 HG3 GLU 49 HG1 GLU 49 4.877 1.741 7.516 283 H ARG 50 HN ARG 50 0.189 0.099 6.512 284 HA ARG 50 HA ARG 50 -0.972 -0.943 8.879 285 HB2 ARG 50 HB2 ARG 50 -1.711 0.912 7.001 286 HB3 ARG 50 HB1 ARG 50 -2.799 -0.419 6.636 287 HG2 ARG 50 HG2 ARG 50 -3.969 0.926 8.142 288 HG3 ARG 50 HG1 ARG 50 -3.379 -0.421 9.114 289 HD2 ARG 50 HD2 ARG 50 -1.318 1.272 9.398 290 HD3 ARG 50 HD1 ARG 50 -2.618 2.435 9.157 291 HE ARG 50 HE ARG 50 -2.110 0.912 11.492 292 HH11 ARG 50 HH11 ARG 50 -4.794 2.075 9.512 293 HH12 ARG 50 HH12 ARG 50 -5.877 2.288 10.933 294 HH21 ARG 50 HH21 ARG 50 -5.175 1.689 13.030 295 HH22 ARG 50 HH22 ARG 50 -3.492 1.094 13.288 296 H GLN 51 HN GLN 51 -0.762 -2.087 5.568 297 HA GLN 51 HA GLN 51 -2.504 -4.344 6.079 298 HB2 GLN 51 HB2 GLN 51 -0.890 -3.504 3.675 299 HB3 GLN 51 HB1 GLN 51 -1.857 -4.973 3.721 300 HG2 GLN 51 HG2 GLN 51 -2.996 -2.238 4.224 301 HG3 GLN 51 HG1 GLN 51 -2.929 -2.982 2.626 302 HE21 GLN 51 HE21 GLN 51 -4.283 -4.674 2.147 303 HE22 GLN 51 HE22 GLN 51 -5.612 -5.129 3.151 304 H GLY 52 HN GLY 52 0.838 -3.626 6.287 305 HA2 GLY 52 HA2 GLY 52 2.562 -4.932 7.099 306 HA3 GLY 52 HA1 GLY 52 1.425 -6.266 7.258 307 H LEU 53 HN LEU 53 2.294 -4.371 4.408 308 HA LEU 53 HA LEU 53 3.362 -6.821 3.171 309 HB2 LEU 53 HB2 LEU 53 1.634 -4.724 1.847 310 HB3 LEU 53 HB1 LEU 53 2.360 -6.100 1.040 311 HG LEU 53 HG LEU 53 0.354 -6.368 3.276 312 HD11 LEU 53 HD11 LEU 53 -1.297 -6.852 1.535 313 HD12 LEU 53 HD12 LEU 53 -0.105 -6.449 0.296 314 HD13 LEU 53 HD13 LEU 53 -0.681 -5.204 1.404 315 HD21 LEU 53 HD21 LEU 53 1.788 -8.307 2.932 316 HD22 LEU 53 HD22 LEU 53 1.379 -8.319 1.217 317 HD23 LEU 53 HD23 LEU 53 0.137 -8.649 2.421 318 H SER 54 HN SER 54 4.479 -6.125 1.002 319 HA SER 54 HA SER 54 6.430 -4.081 1.728 320 HB2 SER 54 HB2 SER 54 7.492 -6.084 1.067 321 HB3 SER 54 HB1 SER 54 6.391 -6.321 -0.291 322 HG SER 54 HG SER 54 8.571 -5.509 -0.784 323 H MET 55 HN MET 55 6.783 -2.248 0.535 324 HA MET 55 HA MET 55 4.634 -1.212 -0.995 325 HB2 MET 55 HB2 MET 55 6.334 0.114 0.350 326 HB3 MET 55 HB1 MET 55 7.463 -0.153 -0.973 327 HG2 MET 55 HG2 MET 55 5.760 0.921 -2.489 328 HG3 MET 55 HG1 MET 55 4.881 1.382 -1.032 329 HE1 MET 55 HE1 MET 55 8.100 1.599 -3.060 330 HE2 MET 55 HE2 MET 55 8.918 1.377 -1.515 331 HE3 MET 55 HE3 MET 55 9.008 2.930 -2.343 332 H ARG 56 HN ARG 56 7.275 -3.187 -1.758 333 HA ARG 56 HA ARG 56 7.403 -2.495 -4.565 334 HB2 ARG 56 HB2 ARG 56 9.354 -3.263 -3.125 335 HB3 ARG 56 HB1 ARG 56 8.642 -4.867 -3.168 336 HG2 ARG 56 HG2 ARG 56 9.166 -5.190 -5.375 337 HG3 ARG 56 HG1 ARG 56 9.178 -3.462 -5.738 338 HD2 ARG 56 HD2 ARG 56 11.265 -3.171 -4.606 339 HD3 ARG 56 HD1 ARG 56 11.219 -4.820 -3.987 340 HE ARG 56 HE ARG 56 11.920 -5.602 -6.042 341 HH11 ARG 56 HH11 ARG 56 12.000 -1.956 -7.819 342 HH12 ARG 56 HH12 ARG 56 11.160 -2.163 -6.234 343 HH21 ARG 56 HH21 ARG 56 13.006 -3.768 -8.843 344 HH22 ARG 56 HH22 ARG 56 12.960 -5.388 -8.055 345 H GLN 57 HN GLN 57 5.494 -4.423 -2.572 346 HA GLN 57 HA GLN 57 4.874 -6.428 -4.590 347 HB2 GLN 57 HB2 GLN 57 5.126 -7.137 -2.262 348 HB3 GLN 57 HB1 GLN 57 3.848 -6.036 -1.775 349 HG2 GLN 57 HG2 GLN 57 2.303 -7.332 -3.268 350 HG3 GLN 57 HG1 GLN 57 3.597 -8.517 -3.446 351 HE21 GLN 57 HE21 GLN 57 0.951 -8.807 -2.272 352 HE22 GLN 57 HE22 GLN 57 1.207 -9.349 -0.647 353 H ILE 58 HN ILE 58 3.325 -3.686 -2.960 354 HA ILE 58 HA ILE 58 0.940 -4.118 -4.606 355 HB ILE 58 HB ILE 58 -0.095 -2.332 -3.195 356 HG12 ILE 58 HG12 ILE 58 2.433 -2.655 -1.562 357 HG13 ILE 58 HG11 ILE 58 1.989 -1.220 -2.479 358 HG21 ILE 58 HG21 ILE 58 -0.511 -4.657 -2.723 359 HG22 ILE 58 HG22 ILE 58 -0.338 -3.778 -1.204 360 HG23 ILE 58 HG23 ILE 58 0.987 -4.776 -1.801 361 HD11 ILE 58 HD11 ILE 58 0.605 -2.343 -0.058 362 HD12 ILE 58 HD12 ILE 58 -0.037 -1.027 -1.043 363 HD13 ILE 58 HD13 ILE 58 1.492 -0.824 -0.189 364 H ARG 59 HN ARG 59 -0.119 -2.160 -5.525 365 HA ARG 59 HA ARG 59 1.781 -0.074 -6.348 366 HB2 ARG 59 HB2 ARG 59 0.062 -1.759 -8.170 367 HB3 ARG 59 HB1 ARG 59 0.722 -0.208 -8.665 368 HG2 ARG 59 HG2 ARG 59 2.290 -2.651 -7.868 369 HG3 ARG 59 HG1 ARG 59 2.101 -1.999 -9.497 370 HD2 ARG 59 HD2 ARG 59 3.214 0.084 -8.741 371 HD3 ARG 59 HD1 ARG 59 3.482 -0.666 -7.168 372 HE ARG 59 HE ARG 59 4.939 -1.149 -9.601 373 HH11 ARG 59 HH11 ARG 59 5.426 -3.566 -6.379 374 HH12 ARG 59 HH12 ARG 59 4.059 -2.382 -6.417 375 HH21 ARG 59 HH21 ARG 59 6.726 -2.572 -9.547 376 HH22 ARG 59 HH22 ARG 59 6.937 -3.639 -8.111 377 H PHE 60 HN PHE 60 0.844 1.937 -6.695 378 HA PHE 60 HA PHE 60 -1.986 2.120 -5.906 379 HB2 PHE 60 HB2 PHE 60 0.353 3.927 -5.360 380 HB3 PHE 60 HB1 PHE 60 -1.300 4.527 -5.276 381 HD1 PHE 60 HD1 PHE 60 0.768 1.698 -3.995 382 HD2 PHE 60 HD2 PHE 60 -2.374 4.468 -3.249 383 HE1 PHE 60 HE1 PHE 60 0.601 0.879 -1.683 384 HE2 PHE 60 HE2 PHE 60 -2.547 3.652 -0.934 385 HZ PHE 60 HZ PHE 60 -1.056 1.858 -0.152 386 H ARG 61 HN ARG 61 -3.381 3.232 -7.157 387 HA ARG 61 HA ARG 61 -2.274 4.645 -9.488 388 HB2 ARG 61 HB2 ARG 61 -4.486 2.603 -9.443 389 HB3 ARG 61 HB1 ARG 61 -4.352 3.789 -10.734 390 HG2 ARG 61 HG2 ARG 61 -1.840 2.811 -10.710 391 HG3 ARG 61 HG1 ARG 61 -2.750 1.391 -10.193 392 HD2 ARG 61 HD2 ARG 61 -4.252 1.726 -12.148 393 HD3 ARG 61 HD1 ARG 61 -3.183 3.017 -12.693 394 HE ARG 61 HE ARG 61 -1.902 0.465 -12.229 395 HH11 ARG 61 HH11 ARG 61 -2.724 1.778 -15.976 396 HH12 ARG 61 HH12 ARG 61 -3.422 2.641 -14.552 397 HH21 ARG 61 HH21 ARG 61 -0.985 -0.633 -14.009 398 HH22 ARG 61 HH22 ARG 61 -1.359 -0.043 -15.674 399 H PHE 62 HN PHE 62 -3.297 6.455 -10.124 400 HA PHE 62 HA PHE 62 -5.684 7.294 -8.628 401 HB2 PHE 62 HB2 PHE 62 -3.915 8.530 -7.604 402 HB3 PHE 62 HB1 PHE 62 -3.164 8.875 -9.158 403 HD1 PHE 62 HD1 PHE 62 -6.255 9.526 -7.194 404 HD2 PHE 62 HD2 PHE 62 -3.599 10.875 -10.237 405 HE1 PHE 62 HE1 PHE 62 -7.470 11.660 -7.310 406 HE2 PHE 62 HE2 PHE 62 -4.811 13.010 -10.357 407 HZ PHE 62 HZ PHE 62 -6.752 13.404 -8.894 408 H ASP 63 HN ASP 63 -7.280 7.623 -9.989 409 HA ASP 63 HA ASP 63 -8.489 8.143 -11.833 410 HB2 ASP 63 HB2 ASP 63 -7.175 10.342 -11.383 411 HB3 ASP 63 HB1 ASP 63 -6.238 9.886 -12.805 412 H GLY 64 HN GLY 64 -6.612 5.904 -11.899 413 HA2 GLY 64 HA2 GLY 64 -6.446 4.253 -13.564 414 HA3 GLY 64 HA1 GLY 64 -6.663 5.492 -14.786 415 H GLN 65 HN GLN 65 -4.484 7.001 -13.095 416 HA GLN 65 HA GLN 65 -2.255 5.784 -14.578 417 HB2 GLN 65 HB2 GLN 65 -2.598 8.566 -13.447 418 HB3 GLN 65 HB1 GLN 65 -1.140 7.991 -14.242 419 HG2 GLN 65 HG2 GLN 65 -3.859 8.165 -15.516 420 HG3 GLN 65 HG1 GLN 65 -2.555 9.333 -15.723 421 HE21 GLN 65 HE21 GLN 65 -0.765 8.777 -16.951 422 HE22 GLN 65 HE22 GLN 65 -0.766 7.419 -18.022 423 HA PRO 66 HA PRO 66 -0.481 4.376 -10.762 424 HB2 PRO 66 HB2 PRO 66 2.135 4.234 -11.583 425 HB3 PRO 66 HB1 PRO 66 0.918 3.001 -11.936 426 HG2 PRO 66 HG2 PRO 66 1.937 5.183 -13.681 427 HG3 PRO 66 HG1 PRO 66 1.516 3.509 -14.097 428 HD2 PRO 66 HD2 PRO 66 -0.118 5.582 -14.651 429 HD3 PRO 66 HD1 PRO 66 -0.733 3.968 -14.241 430 H ILE 67 HN ILE 67 0.293 5.351 -8.988 431 HA ILE 67 HA ILE 67 1.060 8.138 -9.172 432 HB ILE 67 HB ILE 67 0.846 6.391 -6.710 433 HG12 ILE 67 HG12 ILE 67 -1.184 8.251 -7.966 434 HG13 ILE 67 HG11 ILE 67 -1.284 6.494 -7.916 435 HG21 ILE 67 HG21 ILE 67 0.905 9.393 -7.009 436 HG22 ILE 67 HG22 ILE 67 2.195 8.385 -6.348 437 HG23 ILE 67 HG23 ILE 67 0.652 8.513 -5.499 438 HD11 ILE 67 HD11 ILE 67 -1.441 8.400 -5.595 439 HD12 ILE 67 HD12 ILE 67 -1.332 6.648 -5.429 440 HD13 ILE 67 HD13 ILE 67 -2.722 7.369 -6.236 441 H ASN 68 HN ASN 68 3.054 9.001 -8.779 442 HA ASN 68 HA ASN 68 5.289 7.127 -8.763 443 HB2 ASN 68 HB2 ASN 68 5.247 10.147 -9.009 444 HB3 ASN 68 HB1 ASN 68 6.682 9.139 -9.155 445 HD21 ASN 68 HD21 ASN 68 3.827 10.294 -10.674 446 HD22 ASN 68 HD22 ASN 68 4.134 9.616 -12.243 447 H GLU 69 HN GLU 69 7.136 7.564 -7.311 448 HA GLU 69 HA GLU 69 6.191 7.849 -4.608 449 HB2 GLU 69 HB2 GLU 69 8.954 7.336 -5.719 450 HB3 GLU 69 HB1 GLU 69 8.551 7.323 -4.008 451 HG2 GLU 69 HG2 GLU 69 7.214 5.404 -4.229 452 HG3 GLU 69 HG1 GLU 69 7.177 5.538 -5.987 453 H THR 70 HN THR 70 6.557 10.160 -6.669 454 HA THR 70 HA THR 70 7.715 12.015 -4.711 455 HB THR 70 HB THR 70 8.438 13.281 -6.942 456 HG1 THR 70 HG1 THR 70 9.119 10.694 -7.754 457 HG21 THR 70 HG21 THR 70 10.689 12.276 -6.677 458 HG22 THR 70 HG22 THR 70 9.987 11.042 -5.629 459 HG23 THR 70 HG23 THR 70 9.963 12.736 -5.138 460 H ASP 71 HN ASP 71 4.987 11.138 -6.003 461 HA ASP 71 HA ASP 71 4.027 13.677 -7.039 462 HB2 ASP 71 HB2 ASP 71 2.870 10.922 -6.775 463 HB3 ASP 71 HB1 ASP 71 1.786 12.293 -6.978 464 H THR 72 HN THR 72 2.328 14.860 -6.109 465 HA THR 72 HA THR 72 1.751 14.296 -3.285 466 HB THR 72 HB THR 72 1.682 16.865 -3.023 467 HG1 THR 72 HG1 THR 72 3.628 17.481 -4.640 468 HG21 THR 72 HG21 THR 72 4.247 15.316 -3.303 469 HG22 THR 72 HG22 THR 72 3.341 15.674 -1.832 470 HG23 THR 72 HG23 THR 72 4.191 16.964 -2.681 471 HA PRO 73 HA PRO 73 -2.535 14.816 -4.226 472 HB2 PRO 73 HB2 PRO 73 -2.672 16.929 -2.131 473 HB3 PRO 73 HB1 PRO 73 -3.646 15.462 -2.315 474 HG2 PRO 73 HG2 PRO 73 -1.758 15.585 -0.456 475 HG3 PRO 73 HG1 PRO 73 -2.035 14.095 -1.380 476 HD2 PRO 73 HD2 PRO 73 0.153 16.100 -1.653 477 HD3 PRO 73 HD1 PRO 73 0.200 14.335 -1.847 478 H ALA 74 HN ALA 74 -0.893 17.892 -3.523 479 HA ALA 74 HA ALA 74 -2.636 19.472 -5.108 480 HB1 ALA 74 HB1 ALA 74 -0.876 21.210 -4.865 481 HB2 ALA 74 HB2 ALA 74 0.137 20.010 -4.060 482 HB3 ALA 74 HB3 ALA 74 -1.398 20.499 -3.340 483 H GLN 75 HN GLN 75 0.427 17.853 -5.749 484 HA GLN 75 HA GLN 75 1.041 19.025 -8.222 485 HB2 GLN 75 HB2 GLN 75 2.515 17.528 -6.790 486 HB3 GLN 75 HB1 GLN 75 1.639 16.165 -7.474 487 HG2 GLN 75 HG2 GLN 75 3.628 16.385 -8.717 488 HG3 GLN 75 HG1 GLN 75 2.330 16.995 -9.742 489 HE21 GLN 75 HE21 GLN 75 3.797 18.201 -10.961 490 HE22 GLN 75 HE22 GLN 75 4.502 19.660 -10.356 491 H LEU 76 HN LEU 76 -0.899 16.173 -7.425 492 HA LEU 76 HA LEU 76 -1.508 15.724 -10.233 493 HB2 LEU 76 HB2 LEU 76 -2.553 14.260 -7.813 494 HB3 LEU 76 HB1 LEU 76 -2.686 13.747 -9.484 495 HG LEU 76 HG LEU 76 -0.144 13.932 -7.862 496 HD11 LEU 76 HD11 LEU 76 -1.614 11.563 -9.007 497 HD12 LEU 76 HD12 LEU 76 -1.591 12.035 -7.306 498 HD13 LEU 76 HD13 LEU 76 -0.102 11.517 -8.098 499 HD21 LEU 76 HD21 LEU 76 0.297 14.539 -10.169 500 HD22 LEU 76 HD22 LEU 76 -0.570 13.111 -10.733 501 HD23 LEU 76 HD23 LEU 76 0.935 12.931 -9.831 502 H GLU 77 HN GLU 77 -2.560 17.930 -8.185 503 HA GLU 77 HA GLU 77 -4.426 19.196 -7.929 504 HB2 GLU 77 HB2 GLU 77 -5.015 17.957 -10.616 505 HB3 GLU 77 HB1 GLU 77 -6.024 19.201 -9.896 506 HG2 GLU 77 HG2 GLU 77 -3.101 19.672 -10.204 507 HG3 GLU 77 HG1 GLU 77 -4.170 19.837 -11.595 508 H MET 78 HN MET 78 -4.475 16.844 -6.513 509 HA MET 78 HA MET 78 -6.978 15.480 -6.898 510 HB2 MET 78 HB2 MET 78 -5.130 15.401 -4.504 511 HB3 MET 78 HB1 MET 78 -6.419 14.262 -4.867 512 HG2 MET 78 HG2 MET 78 -5.243 13.493 -6.828 513 HG3 MET 78 HG1 MET 78 -3.982 14.698 -6.574 514 HE1 MET 78 HE1 MET 78 -5.541 11.331 -5.462 515 HE2 MET 78 HE2 MET 78 -5.860 12.301 -4.025 516 HE3 MET 78 HE3 MET 78 -4.701 10.974 -3.953 517 H GLU 79 HN GLU 79 -8.877 15.825 -5.882 518 HA GLU 79 HA GLU 79 -8.984 18.182 -4.141 519 HB2 GLU 79 HB2 GLU 79 -10.661 17.245 -6.315 520 HB3 GLU 79 HB1 GLU 79 -11.598 17.533 -4.856 521 HG2 GLU 79 HG2 GLU 79 -9.699 19.548 -6.024 522 HG3 GLU 79 HG1 GLU 79 -11.410 19.469 -6.436 523 H ASP 80 HN ASP 80 -10.883 18.093 -2.582 524 HA ASP 80 HA ASP 80 -10.406 16.000 -0.747 525 HB2 ASP 80 HB2 ASP 80 -11.307 18.438 -0.392 526 HB3 ASP 80 HB1 ASP 80 -12.882 17.690 -0.634 527 H GLU 81 HN GLU 81 -11.766 14.337 -0.029 528 HA GLU 81 HA GLU 81 -13.226 12.618 -0.178 529 HB2 GLU 81 HB2 GLU 81 -14.709 14.777 -1.580 530 HB3 GLU 81 HB1 GLU 81 -15.293 13.132 -1.774 531 HG2 GLU 81 HG2 GLU 81 -14.860 14.514 0.860 532 HG3 GLU 81 HG1 GLU 81 -16.413 14.333 0.046 533 H ASP 82 HN ASP 82 -10.991 12.748 -1.964 534 HA ASP 82 HA ASP 82 -11.988 11.602 -4.450 535 HB2 ASP 82 HB2 ASP 82 -9.863 13.217 -4.015 536 HB3 ASP 82 HB1 ASP 82 -9.071 11.644 -3.941 537 H THR 83 HN THR 83 -10.605 9.636 -5.241 538 HA THR 83 HA THR 83 -10.340 7.714 -3.023 539 HB THR 83 HB THR 83 -11.635 7.047 -5.672 540 HG1 THR 83 HG1 THR 83 -12.672 8.445 -3.710 541 HG21 THR 83 HG21 THR 83 -12.360 5.017 -4.496 542 HG22 THR 83 HG22 THR 83 -11.482 5.538 -3.057 543 HG23 THR 83 HG23 THR 83 -10.603 5.149 -4.535 544 H ILE 84 HN ILE 84 -8.640 6.356 -3.141 545 HA ILE 84 HA ILE 84 -6.955 6.472 -5.563 546 HB ILE 84 HB ILE 84 -6.042 5.897 -2.737 547 HG12 ILE 84 HG12 ILE 84 -5.697 8.432 -4.354 548 HG13 ILE 84 HG11 ILE 84 -6.847 8.235 -3.038 549 HG21 ILE 84 HG21 ILE 84 -3.787 6.228 -3.668 550 HG22 ILE 84 HG22 ILE 84 -4.492 6.409 -5.275 551 HG23 ILE 84 HG23 ILE 84 -4.627 4.871 -4.421 552 HD11 ILE 84 HD11 ILE 84 -3.850 8.086 -2.814 553 HD12 ILE 84 HD12 ILE 84 -4.991 7.863 -1.486 554 HD13 ILE 84 HD13 ILE 84 -4.876 9.423 -2.298 555 H ASP 85 HN ASP 85 -6.203 4.561 -6.425 556 HA ASP 85 HA ASP 85 -7.539 2.134 -5.456 557 HB2 ASP 85 HB2 ASP 85 -7.491 3.165 -7.944 558 HB3 ASP 85 HB1 ASP 85 -6.074 2.125 -8.033 559 H VAL 86 HN VAL 86 -6.425 0.190 -5.166 560 HA VAL 86 HA VAL 86 -3.485 0.335 -5.129 561 HB VAL 86 HB VAL 86 -5.120 -0.950 -2.935 562 HG11 VAL 86 HG11 VAL 86 -2.984 -2.030 -3.290 563 HG12 VAL 86 HG12 VAL 86 -2.948 -1.117 -1.781 564 HG13 VAL 86 HG13 VAL 86 -2.154 -0.476 -3.220 565 HG21 VAL 86 HG21 VAL 86 -4.359 0.866 -1.489 566 HG22 VAL 86 HG22 VAL 86 -5.334 1.479 -2.827 567 HG23 VAL 86 HG23 VAL 86 -3.578 1.641 -2.870 568 H PHE 87 HN PHE 87 -2.751 -1.190 -6.448 569 HA PHE 87 HA PHE 87 -4.308 -3.670 -6.755 570 HB2 PHE 87 HB2 PHE 87 -2.362 -2.316 -8.634 571 HB3 PHE 87 HB1 PHE 87 -3.028 -3.922 -8.909 572 HD1 PHE 87 HD1 PHE 87 -5.495 -4.180 -9.211 573 HD2 PHE 87 HD2 PHE 87 -3.581 -0.382 -9.183 574 HE1 PHE 87 HE1 PHE 87 -7.459 -3.187 -10.313 575 HE2 PHE 87 HE2 PHE 87 -5.541 0.620 -10.281 576 HZ PHE 87 HZ PHE 87 -7.481 -0.782 -10.847 577 H GLN 88 HN GLN 88 -2.897 -5.587 -7.378 578 HA GLN 88 HA GLN 88 -0.526 -5.639 -5.629 579 HB2 GLN 88 HB2 GLN 88 -2.546 -7.788 -6.283 580 HB3 GLN 88 HB1 GLN 88 -1.000 -8.136 -5.521 581 HG2 GLN 88 HG2 GLN 88 -2.572 -6.029 -4.217 582 HG3 GLN 88 HG1 GLN 88 -3.299 -7.635 -4.185 583 HE21 GLN 88 HE21 GLN 88 -3.025 -7.770 -1.952 584 HE22 GLN 88 HE22 GLN 88 -1.476 -8.067 -1.242 585 H GLN 89 HN GLN 89 1.367 -6.433 -6.445 586 HA GLN 89 HA GLN 89 1.666 -6.511 -9.276 587 HB2 GLN 89 HB2 GLN 89 3.470 -5.697 -7.872 588 HB3 GLN 89 HB1 GLN 89 3.564 -7.238 -7.036 589 HG2 GLN 89 HG2 GLN 89 5.383 -6.952 -8.632 590 HG3 GLN 89 HG1 GLN 89 4.352 -8.319 -9.051 591 HE21 GLN 89 HE21 GLN 89 5.010 -8.290 -11.181 592 HE22 GLN 89 HE22 GLN 89 4.499 -7.069 -12.295 593 H GLN 90 HN GLN 90 1.820 -8.192 -10.645 594 HA GLN 90 HA GLN 90 0.662 -10.663 -9.965 595 HB2 GLN 90 HB2 GLN 90 2.234 -9.755 -12.375 596 HB3 GLN 90 HB1 GLN 90 1.570 -11.376 -12.244 597 HG2 GLN 90 HG2 GLN 90 0.021 -10.153 -13.505 598 HG3 GLN 90 HG1 GLN 90 -0.682 -10.284 -11.894 599 HE21 GLN 90 HE21 GLN 90 -1.978 -8.495 -12.142 600 HE22 GLN 90 HE22 GLN 90 -1.348 -6.883 -12.172 601 H THR 91 HN THR 91 1.507 -12.595 -9.409 602 HA THR 91 HA THR 91 4.315 -12.638 -8.643 603 HB THR 91 HB THR 91 3.388 -15.011 -7.782 604 HG1 THR 91 HG1 THR 91 1.265 -15.060 -7.715 605 HG21 THR 91 HG21 THR 91 2.949 -12.337 -6.444 606 HG22 THR 91 HG22 THR 91 4.415 -13.314 -6.374 607 HG23 THR 91 HG23 THR 91 2.929 -13.898 -5.627 608 H GLY 92 HN GLY 92 2.860 -13.200 -11.428 609 HA2 GLY 92 HA2 GLY 92 4.717 -15.369 -12.120 610 HA3 GLY 92 HA1 GLY 92 3.026 -15.507 -12.586 611 H ASN 357 HT1 ASN 357 -19.295 -3.891 6.390 612 HA ASN 357 HA ASN 357 -17.857 -2.121 4.515 613 HB2 ASN 357 HB2 ASN 357 -20.122 -1.288 5.127 614 HB3 ASN 357 HB1 ASN 357 -19.693 -1.423 6.827 615 HD21 ASN 357 HD21 ASN 357 -20.508 0.915 5.242 616 HD22 ASN 357 HD22 ASN 357 -19.240 2.075 5.437 617 H ASN 358 HN ASN 358 -15.805 -2.283 5.048 618 HA ASN 358 HA ASN 358 -15.112 -2.271 7.906 619 HB2 ASN 358 HB2 ASN 358 -14.423 -4.345 6.656 620 HB3 ASN 358 HB1 ASN 358 -13.405 -3.332 5.637 621 HD21 ASN 358 HD21 ASN 358 -11.530 -4.386 6.283 622 HD22 ASN 358 HD22 ASN 358 -10.847 -4.173 7.858 623 H ARG 359 HN ARG 359 -14.036 -0.563 8.594 624 HA ARG 359 HA ARG 359 -12.937 1.262 6.574 625 HB2 ARG 359 HB2 ARG 359 -13.508 3.025 8.439 626 HB3 ARG 359 HB1 ARG 359 -14.724 2.500 7.286 627 HG2 ARG 359 HG2 ARG 359 -15.494 0.836 8.984 628 HG3 ARG 359 HG1 ARG 359 -14.386 1.592 10.131 629 HD2 ARG 359 HD2 ARG 359 -15.557 3.646 10.040 630 HD3 ARG 359 HD1 ARG 359 -16.499 3.126 8.644 631 HE ARG 359 HE ARG 359 -17.368 1.363 10.326 632 HH11 ARG 359 HH11 ARG 359 -17.700 4.828 12.407 633 HH12 ARG 359 HH12 ARG 359 -16.503 4.692 11.066 634 HH21 ARG 359 HH21 ARG 359 -18.942 1.518 11.994 635 HH22 ARG 359 HH22 ARG 359 -19.073 3.062 12.916 636 H ASP 360 HN ASP 360 -10.963 1.904 6.822 637 HA ASP 360 HA ASP 360 -9.575 1.298 9.349 638 HB2 ASP 360 HB2 ASP 360 -8.863 -0.072 7.301 639 HB3 ASP 360 HB1 ASP 360 -8.265 1.438 6.627 640 HA PRO 361 HA PRO 361 -8.759 5.647 8.799 641 HB2 PRO 361 HB2 PRO 361 -8.515 6.251 11.387 642 HB3 PRO 361 HB1 PRO 361 -10.070 5.719 10.729 643 HG2 PRO 361 HG2 PRO 361 -8.248 4.286 12.528 644 HG3 PRO 361 HG1 PRO 361 -9.962 3.991 12.194 645 HD2 PRO 361 HD2 PRO 361 -7.624 2.671 11.031 646 HD3 PRO 361 HD1 PRO 361 -9.347 2.232 10.912 647 H ILE 362 HN ILE 362 -6.938 6.500 8.178 648 HA ILE 362 HA ILE 362 -4.496 5.882 9.673 649 HB ILE 362 HB ILE 362 -4.661 6.436 6.711 650 HG12 ILE 362 HG12 ILE 362 -4.346 3.894 8.312 651 HG13 ILE 362 HG11 ILE 362 -5.531 4.248 7.059 652 HG21 ILE 362 HG21 ILE 362 -2.284 5.845 6.702 653 HG22 ILE 362 HG22 ILE 362 -2.320 5.670 8.456 654 HG23 ILE 362 HG23 ILE 362 -2.594 7.251 7.720 655 HD11 ILE 362 HD11 ILE 362 -2.580 3.827 6.646 656 HD12 ILE 362 HD12 ILE 362 -3.752 4.199 5.381 657 HD13 ILE 362 HD13 ILE 362 -3.865 2.679 6.269 658 H VAL 363 HN VAL 363 -3.367 7.479 10.394 659 HA VAL 363 HA VAL 363 -4.119 10.215 9.616 660 HB VAL 363 HB VAL 363 -2.900 9.419 12.265 661 HG11 VAL 363 HG11 VAL 363 -3.733 11.647 12.935 662 HG12 VAL 363 HG12 VAL 363 -4.255 11.926 11.275 663 HG13 VAL 363 HG13 VAL 363 -2.540 11.721 11.641 664 HG21 VAL 363 HG21 VAL 363 -5.804 9.792 11.551 665 HG22 VAL 363 HG22 VAL 363 -5.188 9.804 13.206 666 HG23 VAL 363 HG23 VAL 363 -5.036 8.352 12.216 667 H ILE 364 HN ILE 364 -2.533 11.567 9.105 668 HA ILE 364 HA ILE 364 0.108 10.358 8.724 669 HB ILE 364 HB ILE 364 -1.535 11.395 6.776 670 HG12 ILE 364 HG12 ILE 364 0.631 11.457 5.407 671 HG13 ILE 364 HG11 ILE 364 1.450 11.001 6.900 672 HG21 ILE 364 HG21 ILE 364 -0.051 13.416 6.019 673 HG22 ILE 364 HG22 ILE 364 0.282 13.563 7.741 674 HG23 ILE 364 HG23 ILE 364 -1.374 13.668 7.152 675 HD11 ILE 364 HD11 ILE 364 -0.112 9.024 7.001 676 HD12 ILE 364 HD12 ILE 364 1.074 9.011 5.698 677 HD13 ILE 364 HD13 ILE 364 -0.604 9.440 5.361 678 H SEP 365 HN SEP 365 1.904 11.455 9.263 679 HA SEP 365 HA SEP 365 1.473 13.780 11.011 680 HB2 SEP 365 HB1 SEP 365 3.011 12.779 12.382 681 HB3 SEP 365 HB2 SEP 365 4.130 12.543 11.036 682 H ASP 366 HN ASP 366 2.237 15.669 10.350 683 HA ASP 366 HA ASP 366 3.879 15.738 7.906 684 HB2 ASP 366 HB2 ASP 366 1.475 16.456 7.663 685 HB3 ASP 366 HB1 ASP 366 1.795 17.754 8.801 686 H SEP 367 HN SEP 367 5.754 16.764 8.080 687 HA SEP 367 HA SEP 367 6.609 17.901 10.506 688 HB2 SEP 367 HB1 SEP 367 8.660 18.415 9.292 689 HB3 SEP 367 HB2 SEP 367 7.834 18.137 7.758 690 HA PRO 368 HA PRO 368 4.674 21.886 10.223 691 HB2 PRO 368 HB2 PRO 368 7.001 22.719 11.863 692 HB3 PRO 368 HB1 PRO 368 5.273 22.918 12.174 693 HG2 PRO 368 HG2 PRO 368 6.700 21.110 13.508 694 HG3 PRO 368 HG1 PRO 368 5.023 20.801 13.023 695 HD2 PRO 368 HD2 PRO 368 7.546 19.741 11.863 696 HD3 PRO 368 HD1 PRO 368 5.954 18.969 12.018 Start of MODEL 14 1 H ASP 16 HT1 ASP 16 -4.899 23.204 5.896 2 HA ASP 16 HA ASP 16 -6.393 21.791 8.019 3 HB2 ASP 16 HB2 ASP 16 -7.350 22.771 5.319 4 HB3 ASP 16 HB1 ASP 16 -8.250 21.670 6.355 5 H HIS 17 HN HIS 17 -7.141 19.680 7.199 6 HA HIS 17 HA HIS 17 -5.049 18.451 5.557 7 HB2 HIS 17 HB2 HIS 17 -7.037 17.323 7.534 8 HB3 HIS 17 HB1 HIS 17 -6.083 16.298 6.470 9 HD2 HIS 17 HD2 HIS 17 -3.275 16.342 7.002 10 HE1 HIS 17 HE1 HIS 17 -3.825 17.920 10.890 11 HE2 HIS 17 HE2 HIS 17 -2.267 16.613 9.379 12 H ILE 18 HN ILE 18 -5.791 16.639 4.138 13 HA ILE 18 HA ILE 18 -8.364 17.300 2.864 14 HB ILE 18 HB ILE 18 -6.491 17.907 1.407 15 HG12 ILE 18 HG12 ILE 18 -7.876 15.408 0.418 16 HG13 ILE 18 HG11 ILE 18 -8.577 17.022 0.414 17 HG21 ILE 18 HG21 ILE 18 -4.962 16.215 0.522 18 HG22 ILE 18 HG22 ILE 18 -5.676 15.013 1.599 19 HG23 ILE 18 HG23 ILE 18 -4.803 16.391 2.271 20 HD11 ILE 18 HD11 ILE 18 -6.135 16.156 -1.121 21 HD12 ILE 18 HD12 ILE 18 -6.832 17.777 -1.118 22 HD13 ILE 18 HD13 ILE 18 -7.748 16.423 -1.786 23 H ASN 19 HN ASN 19 -9.769 15.652 2.519 24 HA ASN 19 HA ASN 19 -9.114 13.116 3.804 25 HB2 ASN 19 HB2 ASN 19 -11.741 14.012 2.593 26 HB3 ASN 19 HB1 ASN 19 -11.485 12.622 3.641 27 HD21 ASN 19 HD21 ASN 19 -11.741 16.082 3.462 28 HD22 ASN 19 HD22 ASN 19 -11.910 16.352 5.171 29 H LEU 20 HN LEU 20 -8.192 11.583 2.611 30 HA LEU 20 HA LEU 20 -8.998 11.366 -0.213 31 HB2 LEU 20 HB2 LEU 20 -6.439 10.524 1.151 32 HB3 LEU 20 HB1 LEU 20 -6.841 10.120 -0.507 33 HG LEU 20 HG LEU 20 -6.435 12.904 0.596 34 HD11 LEU 20 HD11 LEU 20 -4.786 11.277 -1.337 35 HD12 LEU 20 HD12 LEU 20 -4.366 11.621 0.341 36 HD13 LEU 20 HD13 LEU 20 -4.462 12.935 -0.832 37 HD21 LEU 20 HD21 LEU 20 -6.598 13.583 -1.791 38 HD22 LEU 20 HD22 LEU 20 -8.114 12.996 -1.110 39 HD23 LEU 20 HD23 LEU 20 -7.160 11.957 -2.171 40 H LYS 21 HN LYS 21 -9.956 9.564 -0.910 41 HA LYS 21 HA LYS 21 -10.462 7.472 1.079 42 HB2 LYS 21 HB2 LYS 21 -11.817 8.029 -1.562 43 HB3 LYS 21 HB1 LYS 21 -12.295 6.787 -0.414 44 HG2 LYS 21 HG2 LYS 21 -12.978 8.403 1.180 45 HG3 LYS 21 HG1 LYS 21 -12.249 9.716 0.250 46 HD2 LYS 21 HD2 LYS 21 -13.841 9.295 -1.571 47 HD3 LYS 21 HD1 LYS 21 -14.577 8.004 -0.621 48 HE2 LYS 21 HE2 LYS 21 -15.276 9.578 1.059 49 HE3 LYS 21 HE1 LYS 21 -14.404 10.881 0.255 50 HZ1 LYS 21 HZ1 LYS 21 -16.651 11.129 -0.341 51 HZ2 LYS 21 HZ2 LYS 21 -16.833 9.478 -0.686 52 HZ3 LYS 21 HZ3 LYS 21 -15.902 10.452 -1.701 53 H VAL 22 HN VAL 22 -8.864 5.983 0.988 54 HA VAL 22 HA VAL 22 -8.014 5.003 -1.642 55 HB VAL 22 HB VAL 22 -6.857 4.392 1.089 56 HG11 VAL 22 HG11 VAL 22 -6.499 2.575 -0.490 57 HG12 VAL 22 HG12 VAL 22 -4.984 3.411 -0.140 58 HG13 VAL 22 HG13 VAL 22 -5.826 3.712 -1.660 59 HG21 VAL 22 HG21 VAL 22 -5.021 5.841 0.488 60 HG22 VAL 22 HG22 VAL 22 -6.538 6.734 0.389 61 HG23 VAL 22 HG23 VAL 22 -5.753 6.164 -1.083 62 H ALA 23 HN ALA 23 -9.004 3.264 -2.417 63 HA ALA 23 HA ALA 23 -10.550 1.599 -0.564 64 HB1 ALA 23 HB1 ALA 23 -11.808 0.875 -2.499 65 HB2 ALA 23 HB2 ALA 23 -10.719 1.759 -3.567 66 HB3 ALA 23 HB3 ALA 23 -11.753 2.638 -2.440 67 H GLY 24 HN GLY 24 -10.254 -0.550 -0.357 68 HA2 GLY 24 HA2 GLY 24 -7.857 -1.677 -1.638 69 HA3 GLY 24 HA1 GLY 24 -8.603 -2.268 -0.158 70 H GLN 25 HN GLN 25 -7.911 -3.885 -2.395 71 HA GLN 25 HA GLN 25 -10.132 -4.433 -4.062 72 HB2 GLN 25 HB2 GLN 25 -7.842 -6.242 -3.264 73 HB3 GLN 25 HB1 GLN 25 -8.963 -6.543 -4.586 74 HG2 GLN 25 HG2 GLN 25 -7.157 -4.145 -4.417 75 HG3 GLN 25 HG1 GLN 25 -6.758 -5.630 -5.279 76 HE21 GLN 25 HE21 GLN 25 -7.188 -2.827 -6.162 77 HE22 GLN 25 HE22 GLN 25 -8.377 -2.927 -7.417 78 H ASP 26 HN ASP 26 -9.469 -5.212 -0.799 79 HA ASP 26 HA ASP 26 -11.226 -7.511 -0.710 80 HB2 ASP 26 HB2 ASP 26 -10.654 -7.645 1.628 81 HB3 ASP 26 HB1 ASP 26 -9.178 -7.311 0.729 82 H GLY 27 HN GLY 27 -11.551 -4.148 -0.575 83 HA2 GLY 27 HA2 GLY 27 -13.685 -3.102 -0.567 84 HA3 GLY 27 HA1 GLY 27 -14.307 -4.439 0.391 85 H SER 28 HN SER 28 -11.346 -2.644 1.020 86 HA SER 28 HA SER 28 -12.491 -1.800 3.586 87 HB2 SER 28 HB2 SER 28 -9.983 -1.391 4.109 88 HB3 SER 28 HB1 SER 28 -10.551 -3.055 4.030 89 HG SER 28 HG SER 28 -9.381 -3.395 2.294 90 H VAL 29 HN VAL 29 -12.776 0.311 4.017 91 HA VAL 29 HA VAL 29 -11.631 2.219 2.100 92 HB VAL 29 HB VAL 29 -14.071 2.204 1.984 93 HG11 VAL 29 HG11 VAL 29 -14.051 3.016 4.884 94 HG12 VAL 29 HG12 VAL 29 -14.559 1.448 4.259 95 HG13 VAL 29 HG13 VAL 29 -15.468 2.899 3.841 96 HG21 VAL 29 HG21 VAL 29 -14.472 4.619 2.434 97 HG22 VAL 29 HG22 VAL 29 -13.001 4.289 1.518 98 HG23 VAL 29 HG23 VAL 29 -12.898 4.678 3.235 99 H VAL 30 HN VAL 30 -10.103 3.484 2.854 100 HA VAL 30 HA VAL 30 -9.850 3.783 5.770 101 HB VAL 30 HB VAL 30 -7.523 4.524 5.315 102 HG11 VAL 30 HG11 VAL 30 -7.052 2.422 5.766 103 HG12 VAL 30 HG12 VAL 30 -7.164 2.047 4.043 104 HG13 VAL 30 HG13 VAL 30 -8.589 1.893 5.072 105 HG21 VAL 30 HG21 VAL 30 -8.126 3.693 2.488 106 HG22 VAL 30 HG22 VAL 30 -6.538 4.126 3.121 107 HG23 VAL 30 HG23 VAL 30 -7.816 5.338 3.048 108 H GLN 31 HN GLN 31 -9.690 5.763 6.716 109 HA GLN 31 HA GLN 31 -10.445 8.048 5.046 110 HB2 GLN 31 HB2 GLN 31 -11.709 7.410 7.203 111 HB3 GLN 31 HB1 GLN 31 -10.307 8.029 8.063 112 HG2 GLN 31 HG2 GLN 31 -11.036 9.980 6.163 113 HG3 GLN 31 HG1 GLN 31 -12.517 9.452 6.961 114 HE21 GLN 31 HE21 GLN 31 -11.074 12.001 7.106 115 HE22 GLN 31 HE22 GLN 31 -10.739 12.254 8.783 116 H PHE 32 HN PHE 32 -8.402 8.339 4.113 117 HA PHE 32 HA PHE 32 -6.056 8.675 5.718 118 HB2 PHE 32 HB2 PHE 32 -6.684 8.434 2.927 119 HB3 PHE 32 HB1 PHE 32 -5.638 9.827 3.173 120 HD1 PHE 32 HD1 PHE 32 -5.720 6.388 2.611 121 HD2 PHE 32 HD2 PHE 32 -3.569 9.363 4.753 122 HE1 PHE 32 HE1 PHE 32 -3.775 4.891 2.727 123 HE2 PHE 32 HE2 PHE 32 -1.616 7.874 4.875 124 HZ PHE 32 HZ PHE 32 -1.720 5.632 3.859 125 H LYS 33 HN LYS 33 -5.810 10.363 6.985 126 HA LYS 33 HA LYS 33 -6.782 12.982 6.097 127 HB2 LYS 33 HB2 LYS 33 -7.381 11.976 8.397 128 HB3 LYS 33 HB1 LYS 33 -5.719 12.347 8.842 129 HG2 LYS 33 HG2 LYS 33 -6.201 14.728 8.144 130 HG3 LYS 33 HG1 LYS 33 -7.900 14.255 8.062 131 HD2 LYS 33 HD2 LYS 33 -7.768 13.534 10.427 132 HD3 LYS 33 HD1 LYS 33 -6.110 14.131 10.487 133 HE2 LYS 33 HE2 LYS 33 -6.988 16.384 9.831 134 HE3 LYS 33 HE1 LYS 33 -8.617 15.732 10.009 135 HZ1 LYS 33 HZ1 LYS 33 -8.097 15.225 12.330 136 HZ2 LYS 33 HZ2 LYS 33 -7.958 16.878 12.003 137 HZ3 LYS 33 HZ3 LYS 33 -6.570 15.924 12.145 138 H ILE 34 HN ILE 34 -5.130 13.493 4.653 139 HA ILE 34 HA ILE 34 -2.506 13.949 5.915 140 HB ILE 34 HB ILE 34 -1.329 13.325 4.001 141 HG12 ILE 34 HG12 ILE 34 -3.863 13.303 2.358 142 HG13 ILE 34 HG11 ILE 34 -2.767 14.679 2.448 143 HG21 ILE 34 HG21 ILE 34 -1.800 11.115 3.796 144 HG22 ILE 34 HG22 ILE 34 -3.515 11.395 3.492 145 HG23 ILE 34 HG23 ILE 34 -2.885 11.486 5.137 146 HD11 ILE 34 HD11 ILE 34 -2.417 13.300 0.445 147 HD12 ILE 34 HD12 ILE 34 -1.996 11.937 1.481 148 HD13 ILE 34 HD13 ILE 34 -0.990 13.385 1.477 149 H LYS 35 HN LYS 35 -1.219 15.637 4.401 150 HA LYS 35 HA LYS 35 -3.001 17.946 4.218 151 HB2 LYS 35 HB2 LYS 35 0.012 17.719 4.172 152 HB3 LYS 35 HB1 LYS 35 -0.854 19.230 3.947 153 HG2 LYS 35 HG2 LYS 35 -1.333 17.571 6.383 154 HG3 LYS 35 HG1 LYS 35 0.077 18.625 6.279 155 HD2 LYS 35 HD2 LYS 35 -1.571 20.471 5.646 156 HD3 LYS 35 HD1 LYS 35 -2.832 19.374 6.216 157 HE2 LYS 35 HE2 LYS 35 -2.278 20.797 8.032 158 HE3 LYS 35 HE1 LYS 35 -1.578 19.217 8.381 159 HZ1 LYS 35 HZ1 LYS 35 0.567 20.074 7.529 160 HZ2 LYS 35 HZ2 LYS 35 0.012 20.920 8.889 161 HZ3 LYS 35 HZ3 LYS 35 -0.139 21.601 7.350 162 H ARG 36 HN ARG 36 -2.315 19.528 2.345 163 HA ARG 36 HA ARG 36 -2.729 18.013 -0.083 164 HB2 ARG 36 HB2 ARG 36 -2.481 21.009 0.210 165 HB3 ARG 36 HB1 ARG 36 -3.180 20.127 -1.140 166 HG2 ARG 36 HG2 ARG 36 -4.840 19.214 0.616 167 HG3 ARG 36 HG1 ARG 36 -4.295 20.575 1.597 168 HD2 ARG 36 HD2 ARG 36 -6.140 21.449 0.497 169 HD3 ARG 36 HD1 ARG 36 -4.801 21.987 -0.516 170 HE ARG 36 HE ARG 36 -5.373 19.888 -1.871 171 HH11 ARG 36 HH11 ARG 36 -7.695 21.885 -0.138 172 HH12 ARG 36 HH12 ARG 36 -9.066 21.443 -1.223 173 HH21 ARG 36 HH21 ARG 36 -7.075 19.306 -3.284 174 HH22 ARG 36 HH22 ARG 36 -8.728 19.994 -2.989 175 H HIS 37 HN HIS 37 -0.056 19.081 1.604 176 HA HIS 37 HA HIS 37 1.554 19.215 -0.852 177 HB2 HIS 37 HB2 HIS 37 3.160 20.541 0.284 178 HB3 HIS 37 HB1 HIS 37 1.594 21.213 0.710 179 HD2 HIS 37 HD2 HIS 37 0.711 20.363 3.368 180 HE1 HIS 37 HE1 HIS 37 4.712 19.882 4.645 181 HE2 HIS 37 HE2 HIS 37 2.285 19.803 5.358 182 H THR 38 HN THR 38 0.841 17.272 1.825 183 HA THR 38 HA THR 38 3.326 16.038 2.310 184 HB THR 38 HB THR 38 0.635 14.697 2.593 185 HG1 THR 38 HG1 THR 38 1.914 16.443 4.468 186 HG21 THR 38 HG21 THR 38 3.250 14.423 4.079 187 HG22 THR 38 HG22 THR 38 2.511 13.231 3.013 188 HG23 THR 38 HG23 THR 38 1.743 13.631 4.548 189 HA PRO 39 HA PRO 39 3.834 13.932 -1.619 190 HB2 PRO 39 HB2 PRO 39 5.643 12.266 0.056 191 HB3 PRO 39 HB1 PRO 39 5.967 13.083 -1.481 192 HG2 PRO 39 HG2 PRO 39 6.937 14.064 0.783 193 HG3 PRO 39 HG1 PRO 39 6.324 15.137 -0.493 194 HD2 PRO 39 HD2 PRO 39 5.059 14.368 2.095 195 HD3 PRO 39 HD1 PRO 39 5.011 15.915 1.225 196 H LEU 40 HN LEU 40 2.915 12.174 -2.527 197 HA LEU 40 HA LEU 40 1.134 10.597 -0.990 198 HB2 LEU 40 HB2 LEU 40 2.075 10.383 -3.843 199 HB3 LEU 40 HB1 LEU 40 0.865 9.316 -3.156 200 HG LEU 40 HG LEU 40 0.555 12.312 -3.212 201 HD11 LEU 40 HD11 LEU 40 -0.829 12.061 -5.165 202 HD12 LEU 40 HD12 LEU 40 -0.564 10.316 -5.172 203 HD13 LEU 40 HD13 LEU 40 0.775 11.414 -5.501 204 HD21 LEU 40 HD21 LEU 40 -1.411 10.058 -2.813 205 HD22 LEU 40 HD22 LEU 40 -1.814 11.773 -2.890 206 HD23 LEU 40 HD23 LEU 40 -0.817 11.162 -1.570 207 H SER 41 HN SER 41 4.441 10.343 -1.437 208 HA SER 41 HA SER 41 4.832 7.559 -1.550 209 HB2 SER 41 HB2 SER 41 6.909 8.717 -0.009 210 HB3 SER 41 HB1 SER 41 6.935 8.342 -1.734 211 HG SER 41 HG SER 41 6.818 10.398 -2.134 212 H LYS 42 HN LYS 42 4.323 9.827 1.104 213 HA LYS 42 HA LYS 42 4.748 7.988 3.224 214 HB2 LYS 42 HB2 LYS 42 3.521 10.694 2.955 215 HB3 LYS 42 HB1 LYS 42 3.094 9.752 4.377 216 HG2 LYS 42 HG2 LYS 42 5.578 9.482 4.778 217 HG3 LYS 42 HG1 LYS 42 5.811 10.715 3.537 218 HD2 LYS 42 HD2 LYS 42 4.565 12.324 4.820 219 HD3 LYS 42 HD1 LYS 42 4.107 11.097 6.008 220 HE2 LYS 42 HE2 LYS 42 6.609 10.794 6.407 221 HE3 LYS 42 HE1 LYS 42 6.833 12.277 5.484 222 HZ1 LYS 42 HZ1 LYS 42 5.942 11.914 8.195 223 HZ2 LYS 42 HZ2 LYS 42 4.942 12.961 7.309 224 HZ3 LYS 42 HZ3 LYS 42 6.599 13.292 7.446 225 H LEU 43 HN LEU 43 1.955 8.997 1.367 226 HA LEU 43 HA LEU 43 -0.038 7.684 2.841 227 HB2 LEU 43 HB2 LEU 43 -0.394 9.446 1.101 228 HB3 LEU 43 HB1 LEU 43 -0.021 8.249 -0.122 229 HG LEU 43 HG LEU 43 -2.170 7.479 1.737 230 HD11 LEU 43 HD11 LEU 43 -2.676 9.837 1.560 231 HD12 LEU 43 HD12 LEU 43 -3.834 8.903 0.609 232 HD13 LEU 43 HD13 LEU 43 -2.523 9.766 -0.196 233 HD21 LEU 43 HD21 LEU 43 -1.873 7.485 -1.269 234 HD22 LEU 43 HD22 LEU 43 -3.220 6.777 -0.379 235 HD23 LEU 43 HD23 LEU 43 -1.596 6.117 -0.190 236 H MET 44 HN MET 44 1.835 6.650 0.016 237 HA MET 44 HA MET 44 0.593 4.142 -0.292 238 HB2 MET 44 HB2 MET 44 3.348 5.099 -1.080 239 HB3 MET 44 HB1 MET 44 2.697 3.535 -1.548 240 HG2 MET 44 HG2 MET 44 0.779 4.789 -2.602 241 HG3 MET 44 HG1 MET 44 1.715 6.259 -2.340 242 HE1 MET 44 HE1 MET 44 3.912 6.879 -3.607 243 HE2 MET 44 HE2 MET 44 4.814 5.755 -4.623 244 HE3 MET 44 HE3 MET 44 4.678 5.464 -2.890 245 H LYS 45 HN LYS 45 3.566 5.069 1.416 246 HA LYS 45 HA LYS 45 4.187 2.450 2.293 247 HB2 LYS 45 HB2 LYS 45 5.097 5.195 3.077 248 HB3 LYS 45 HB1 LYS 45 5.602 3.796 4.016 249 HG2 LYS 45 HG2 LYS 45 6.884 2.946 2.320 250 HG3 LYS 45 HG1 LYS 45 5.935 3.734 1.062 251 HD2 LYS 45 HD2 LYS 45 6.868 5.921 1.825 252 HD3 LYS 45 HD1 LYS 45 7.929 5.030 2.921 253 HE2 LYS 45 HE2 LYS 45 8.999 3.926 1.085 254 HE3 LYS 45 HE1 LYS 45 7.826 4.578 -0.058 255 HZ1 LYS 45 HZ1 LYS 45 10.159 5.832 1.129 256 HZ2 LYS 45 HZ2 LYS 45 8.796 6.818 0.994 257 HZ3 LYS 45 HZ3 LYS 45 9.444 6.077 -0.389 258 H ALA 46 HN ALA 46 2.329 5.082 3.749 259 HA ALA 46 HA ALA 46 2.096 4.046 6.333 260 HB1 ALA 46 HB1 ALA 46 1.439 6.319 5.777 261 HB2 ALA 46 HB2 ALA 46 0.106 5.458 6.549 262 HB3 ALA 46 HB3 ALA 46 0.102 5.708 4.803 263 H TYR 47 HN TYR 47 -0.057 3.584 3.527 264 HA TYR 47 HA TYR 47 -1.816 1.824 4.927 265 HB2 TYR 47 HB2 TYR 47 -2.555 3.087 2.946 266 HB3 TYR 47 HB1 TYR 47 -1.421 2.191 1.946 267 HD1 TYR 47 HD1 TYR 47 -2.329 0.495 0.670 268 HD2 TYR 47 HD2 TYR 47 -4.141 1.426 4.404 269 HE1 TYR 47 HE1 TYR 47 -4.038 -1.229 0.263 270 HE2 TYR 47 HE2 TYR 47 -5.852 -0.293 4.011 271 HH TYR 47 HH TYR 47 -6.874 -1.498 2.147 272 H CYS 48 HN CYS 48 1.007 1.421 2.903 273 HA CYS 48 HA CYS 48 0.876 -1.334 2.460 274 HB2 CYS 48 HB2 CYS 48 2.479 0.594 1.573 275 HB3 CYS 48 HB1 CYS 48 3.528 -0.037 2.840 276 HG CYS 48 HG CYS 48 3.816 -2.528 1.816 277 H GLU 49 HN GLU 49 2.679 0.456 4.969 278 HA GLU 49 HA GLU 49 3.611 -1.855 6.312 279 HB2 GLU 49 HB2 GLU 49 3.284 1.008 7.214 280 HB3 GLU 49 HB1 GLU 49 4.046 -0.235 8.197 281 HG2 GLU 49 HG2 GLU 49 4.988 0.582 5.459 282 HG3 GLU 49 HG1 GLU 49 5.643 1.205 6.973 283 H ARG 50 HN ARG 50 0.694 -0.003 6.499 284 HA ARG 50 HA ARG 50 -0.286 -0.849 8.993 285 HB2 ARG 50 HB2 ARG 50 -1.175 1.063 7.798 286 HB3 ARG 50 HB1 ARG 50 -1.696 0.034 6.477 287 HG2 ARG 50 HG2 ARG 50 -3.495 -0.806 7.683 288 HG3 ARG 50 HG1 ARG 50 -2.820 -0.319 9.245 289 HD2 ARG 50 HD2 ARG 50 -3.616 1.623 7.102 290 HD3 ARG 50 HD1 ARG 50 -4.688 1.109 8.403 291 HE ARG 50 HE ARG 50 -2.152 2.566 8.793 292 HH11 ARG 50 HH11 ARG 50 -5.435 1.730 9.715 293 HH12 ARG 50 HH12 ARG 50 -5.392 2.751 11.207 294 HH21 ARG 50 HH21 ARG 50 -3.514 3.982 11.720 295 HH22 ARG 50 HH22 ARG 50 -2.055 3.877 10.671 296 H GLN 51 HN GLN 51 -0.603 -2.219 5.744 297 HA GLN 51 HA GLN 51 -2.210 -4.418 6.790 298 HB2 GLN 51 HB2 GLN 51 -1.320 -3.868 3.953 299 HB3 GLN 51 HB1 GLN 51 -2.476 -5.091 4.456 300 HG2 GLN 51 HG2 GLN 51 -2.804 -2.107 4.572 301 HG3 GLN 51 HG1 GLN 51 -3.683 -3.249 3.558 302 HE21 GLN 51 HE21 GLN 51 -5.314 -4.509 4.476 303 HE22 GLN 51 HE22 GLN 51 -5.990 -4.149 6.028 304 H GLY 52 HN GLY 52 0.995 -3.728 6.575 305 HA2 GLY 52 HA2 GLY 52 2.862 -5.033 6.917 306 HA3 GLY 52 HA1 GLY 52 1.788 -6.408 7.123 307 H LEU 53 HN LEU 53 2.282 -4.283 4.317 308 HA LEU 53 HA LEU 53 3.179 -6.658 2.820 309 HB2 LEU 53 HB2 LEU 53 1.379 -4.440 1.846 310 HB3 LEU 53 HB1 LEU 53 2.028 -5.718 0.837 311 HG LEU 53 HG LEU 53 0.206 -6.208 3.193 312 HD11 LEU 53 HD11 LEU 53 -0.458 -6.078 0.255 313 HD12 LEU 53 HD12 LEU 53 -0.953 -4.911 1.480 314 HD13 LEU 53 HD13 LEU 53 -1.557 -6.567 1.542 315 HD21 LEU 53 HD21 LEU 53 1.618 -8.104 2.610 316 HD22 LEU 53 HD22 LEU 53 1.106 -7.982 0.925 317 HD23 LEU 53 HD23 LEU 53 -0.063 -8.417 2.175 318 H SER 54 HN SER 54 4.388 -6.096 0.825 319 HA SER 54 HA SER 54 6.342 -4.035 1.424 320 HB2 SER 54 HB2 SER 54 7.379 -6.027 0.727 321 HB3 SER 54 HB1 SER 54 6.192 -6.305 -0.545 322 HG SER 54 HG SER 54 8.401 -5.454 -1.109 323 H MET 55 HN MET 55 6.772 -2.248 0.119 324 HA MET 55 HA MET 55 4.546 -1.185 -1.304 325 HB2 MET 55 HB2 MET 55 6.526 0.018 -0.032 326 HB3 MET 55 HB1 MET 55 7.287 -0.025 -1.615 327 HG2 MET 55 HG2 MET 55 5.177 1.062 -2.504 328 HG3 MET 55 HG1 MET 55 4.730 1.334 -0.822 329 HE1 MET 55 HE1 MET 55 6.938 2.338 -3.803 330 HE2 MET 55 HE2 MET 55 8.174 1.565 -2.807 331 HE3 MET 55 HE3 MET 55 8.222 3.308 -3.076 332 H ARG 56 HN ARG 56 7.029 -3.282 -2.135 333 HA ARG 56 HA ARG 56 6.982 -2.622 -4.975 334 HB2 ARG 56 HB2 ARG 56 9.146 -3.158 -4.005 335 HB3 ARG 56 HB1 ARG 56 8.530 -4.683 -3.388 336 HG2 ARG 56 HG2 ARG 56 8.250 -5.509 -5.663 337 HG3 ARG 56 HG1 ARG 56 8.826 -3.966 -6.299 338 HD2 ARG 56 HD2 ARG 56 10.999 -4.316 -5.464 339 HD3 ARG 56 HD1 ARG 56 10.471 -5.630 -4.416 340 HE ARG 56 HE ARG 56 10.364 -7.060 -6.286 341 HH11 ARG 56 HH11 ARG 56 12.243 -4.356 -8.648 342 HH12 ARG 56 HH12 ARG 56 11.508 -3.828 -7.090 343 HH21 ARG 56 HH21 ARG 56 12.102 -6.560 -9.306 344 HH22 ARG 56 HH22 ARG 56 11.277 -7.768 -8.247 345 H GLN 57 HN GLN 57 5.346 -4.546 -2.742 346 HA GLN 57 HA GLN 57 4.660 -6.672 -4.593 347 HB2 GLN 57 HB2 GLN 57 4.993 -7.150 -2.196 348 HB3 GLN 57 HB1 GLN 57 3.631 -6.108 -1.807 349 HG2 GLN 57 HG2 GLN 57 2.159 -7.595 -3.110 350 HG3 GLN 57 HG1 GLN 57 3.533 -8.661 -3.397 351 HE21 GLN 57 HE21 GLN 57 1.021 -9.217 -2.037 352 HE22 GLN 57 HE22 GLN 57 1.453 -9.743 -0.447 353 H ILE 58 HN ILE 58 3.253 -3.710 -3.358 354 HA ILE 58 HA ILE 58 0.848 -4.283 -4.960 355 HB ILE 58 HB ILE 58 -0.321 -2.586 -3.547 356 HG12 ILE 58 HG12 ILE 58 2.114 -2.860 -1.768 357 HG13 ILE 58 HG11 ILE 58 1.717 -1.433 -2.720 358 HG21 ILE 58 HG21 ILE 58 -0.622 -4.964 -3.169 359 HG22 ILE 58 HG22 ILE 58 -0.646 -4.088 -1.638 360 HG23 ILE 58 HG23 ILE 58 0.791 -4.996 -2.113 361 HD11 ILE 58 HD11 ILE 58 0.060 -2.574 -0.479 362 HD12 ILE 58 HD12 ILE 58 -0.340 -1.147 -1.436 363 HD13 ILE 58 HD13 ILE 58 1.083 -1.139 -0.395 364 H ARG 59 HN ARG 59 -0.246 -2.235 -5.755 365 HA ARG 59 HA ARG 59 1.666 -0.126 -6.471 366 HB2 ARG 59 HB2 ARG 59 0.008 -1.740 -8.417 367 HB3 ARG 59 HB1 ARG 59 0.696 -0.174 -8.820 368 HG2 ARG 59 HG2 ARG 59 2.251 -2.629 -8.026 369 HG3 ARG 59 HG1 ARG 59 2.075 -1.994 -9.664 370 HD2 ARG 59 HD2 ARG 59 3.169 0.102 -8.918 371 HD3 ARG 59 HD1 ARG 59 3.418 -0.624 -7.333 372 HE ARG 59 HE ARG 59 4.958 -1.075 -9.695 373 HH11 ARG 59 HH11 ARG 59 5.202 -3.722 -6.634 374 HH12 ARG 59 HH12 ARG 59 3.899 -2.469 -6.641 375 HH21 ARG 59 HH21 ARG 59 6.662 -2.583 -9.686 376 HH22 ARG 59 HH22 ARG 59 6.770 -3.763 -8.326 377 H PHE 60 HN PHE 60 0.746 1.883 -6.692 378 HA PHE 60 HA PHE 60 -2.115 2.050 -6.029 379 HB2 PHE 60 HB2 PHE 60 0.162 3.970 -5.523 380 HB3 PHE 60 HB1 PHE 60 -1.528 4.413 -5.314 381 HD1 PHE 60 HD1 PHE 60 0.867 1.751 -4.246 382 HD2 PHE 60 HD2 PHE 60 -2.437 4.230 -3.227 383 HE1 PHE 60 HE1 PHE 60 0.928 0.879 -1.947 384 HE2 PHE 60 HE2 PHE 60 -2.385 3.360 -0.927 385 HZ PHE 60 HZ PHE 60 -0.697 1.684 -0.287 386 H ARG 61 HN ARG 61 -3.487 3.111 -7.370 387 HA ARG 61 HA ARG 61 -2.292 4.536 -9.652 388 HB2 ARG 61 HB2 ARG 61 -3.327 2.159 -10.075 389 HB3 ARG 61 HB1 ARG 61 -4.855 3.027 -9.988 390 HG2 ARG 61 HG2 ARG 61 -3.588 4.618 -11.708 391 HG3 ARG 61 HG1 ARG 61 -2.728 3.114 -12.050 392 HD2 ARG 61 HD2 ARG 61 -5.724 3.195 -11.950 393 HD3 ARG 61 HD1 ARG 61 -4.858 3.687 -13.401 394 HE ARG 61 HE ARG 61 -4.928 0.994 -12.243 395 HH11 ARG 61 HH11 ARG 61 -3.696 1.815 -16.021 396 HH12 ARG 61 HH12 ARG 61 -4.012 3.170 -14.875 397 HH21 ARG 61 HH21 ARG 61 -4.555 -0.732 -13.692 398 HH22 ARG 61 HH22 ARG 61 -4.018 -0.353 -15.369 399 H PHE 62 HN PHE 62 -3.149 6.455 -10.141 400 HA PHE 62 HA PHE 62 -5.443 7.357 -8.537 401 HB2 PHE 62 HB2 PHE 62 -3.536 8.722 -8.079 402 HB3 PHE 62 HB1 PHE 62 -3.136 8.857 -9.786 403 HD1 PHE 62 HD1 PHE 62 -5.980 9.634 -7.490 404 HD2 PHE 62 HD2 PHE 62 -3.623 10.840 -10.824 405 HE1 PHE 62 HE1 PHE 62 -7.235 11.748 -7.613 406 HE2 PHE 62 HE2 PHE 62 -4.871 12.951 -10.949 407 HZ PHE 62 HZ PHE 62 -6.680 13.406 -9.345 408 H ASP 63 HN ASP 63 -7.174 6.887 -9.719 409 HA ASP 63 HA ASP 63 -8.789 7.109 -11.289 410 HB2 ASP 63 HB2 ASP 63 -8.115 9.523 -11.349 411 HB3 ASP 63 HB1 ASP 63 -6.994 9.134 -12.651 412 H GLY 64 HN GLY 64 -5.854 7.611 -13.225 413 HA2 GLY 64 HA2 GLY 64 -6.282 4.993 -14.472 414 HA3 GLY 64 HA1 GLY 64 -6.233 6.414 -15.505 415 H GLN 65 HN GLN 65 -4.196 7.646 -13.650 416 HA GLN 65 HA GLN 65 -1.890 6.297 -14.846 417 HB2 GLN 65 HB2 GLN 65 -2.306 9.074 -13.765 418 HB3 GLN 65 HB1 GLN 65 -0.701 8.445 -14.118 419 HG2 GLN 65 HG2 GLN 65 -2.969 8.855 -16.048 420 HG3 GLN 65 HG1 GLN 65 -1.445 9.740 -15.981 421 HE21 GLN 65 HE21 GLN 65 0.441 8.737 -16.699 422 HE22 GLN 65 HE22 GLN 65 0.403 7.333 -17.708 423 HA PRO 66 HA PRO 66 -0.537 4.748 -10.936 424 HB2 PRO 66 HB2 PRO 66 2.120 4.489 -11.430 425 HB3 PRO 66 HB1 PRO 66 0.908 3.397 -12.115 426 HG2 PRO 66 HG2 PRO 66 2.293 5.704 -13.395 427 HG3 PRO 66 HG1 PRO 66 1.889 4.115 -14.073 428 HD2 PRO 66 HD2 PRO 66 0.431 6.348 -14.580 429 HD3 PRO 66 HD1 PRO 66 -0.266 4.718 -14.558 430 H ILE 67 HN ILE 67 0.746 5.312 -9.082 431 HA ILE 67 HA ILE 67 1.362 8.178 -8.995 432 HB ILE 67 HB ILE 67 0.829 6.232 -6.744 433 HG12 ILE 67 HG12 ILE 67 -0.851 8.504 -7.829 434 HG13 ILE 67 HG11 ILE 67 -1.144 6.793 -8.126 435 HG21 ILE 67 HG21 ILE 67 1.285 9.216 -6.662 436 HG22 ILE 67 HG22 ILE 67 2.372 7.974 -6.031 437 HG23 ILE 67 HG23 ILE 67 0.787 8.218 -5.293 438 HD11 ILE 67 HD11 ILE 67 -1.211 8.146 -5.441 439 HD12 ILE 67 HD12 ILE 67 -1.542 6.442 -5.755 440 HD13 ILE 67 HD13 ILE 67 -2.612 7.684 -6.403 441 H ASN 68 HN ASN 68 3.345 8.945 -8.443 442 HA ASN 68 HA ASN 68 5.499 6.964 -8.101 443 HB2 ASN 68 HB2 ASN 68 5.714 9.894 -8.844 444 HB3 ASN 68 HB1 ASN 68 7.027 8.723 -8.831 445 HD21 ASN 68 HD21 ASN 68 4.198 9.846 -10.472 446 HD22 ASN 68 HD22 ASN 68 4.468 8.977 -11.950 447 H GLU 69 HN GLU 69 7.353 7.767 -6.671 448 HA GLU 69 HA GLU 69 6.261 8.415 -4.101 449 HB2 GLU 69 HB2 GLU 69 9.099 8.027 -5.050 450 HB3 GLU 69 HB1 GLU 69 8.676 8.362 -3.378 451 HG2 GLU 69 HG2 GLU 69 7.211 6.295 -3.485 452 HG3 GLU 69 HG1 GLU 69 8.020 5.931 -5.009 453 H THR 70 HN THR 70 7.222 10.269 -6.708 454 HA THR 70 HA THR 70 7.971 12.563 -5.040 455 HB THR 70 HB THR 70 8.031 12.701 -8.017 456 HG1 THR 70 HG1 THR 70 10.302 11.622 -6.830 457 HG21 THR 70 HG21 THR 70 8.694 14.620 -6.627 458 HG22 THR 70 HG22 THR 70 10.045 14.007 -7.579 459 HG23 THR 70 HG23 THR 70 9.935 13.628 -5.860 460 H ASP 71 HN ASP 71 5.211 11.267 -6.177 461 HA ASP 71 HA ASP 71 4.016 13.691 -7.239 462 HB2 ASP 71 HB2 ASP 71 3.074 10.864 -6.897 463 HB3 ASP 71 HB1 ASP 71 1.898 12.151 -7.138 464 H THR 72 HN THR 72 2.454 14.898 -6.258 465 HA THR 72 HA THR 72 1.840 14.308 -3.440 466 HB THR 72 HB THR 72 1.972 16.679 -2.893 467 HG1 THR 72 HG1 THR 72 3.204 17.728 -4.996 468 HG21 THR 72 HG21 THR 72 4.412 15.534 -4.230 469 HG22 THR 72 HG22 THR 72 4.047 15.650 -2.508 470 HG23 THR 72 HG23 THR 72 4.442 17.102 -3.425 471 HA PRO 73 HA PRO 73 -2.434 14.920 -4.452 472 HB2 PRO 73 HB2 PRO 73 -2.627 17.007 -2.344 473 HB3 PRO 73 HB1 PRO 73 -3.565 15.518 -2.541 474 HG2 PRO 73 HG2 PRO 73 -1.713 15.686 -0.650 475 HG3 PRO 73 HG1 PRO 73 -1.941 14.187 -1.575 476 HD2 PRO 73 HD2 PRO 73 0.190 16.261 -1.844 477 HD3 PRO 73 HD1 PRO 73 0.306 14.495 -1.983 478 H ALA 74 HN ALA 74 -0.663 17.899 -3.736 479 HA ALA 74 HA ALA 74 -2.340 19.603 -5.262 480 HB1 ALA 74 HB1 ALA 74 -0.506 21.242 -5.024 481 HB2 ALA 74 HB2 ALA 74 0.504 19.977 -4.324 482 HB3 ALA 74 HB3 ALA 74 -0.960 20.499 -3.492 483 H GLN 75 HN GLN 75 0.626 17.834 -5.947 484 HA GLN 75 HA GLN 75 1.171 18.959 -8.472 485 HB2 GLN 75 HB2 GLN 75 2.334 17.037 -6.795 486 HB3 GLN 75 HB1 GLN 75 1.985 16.190 -8.294 487 HG2 GLN 75 HG2 GLN 75 4.188 17.020 -8.468 488 HG3 GLN 75 HG1 GLN 75 3.183 18.029 -9.505 489 HE21 GLN 75 HE21 GLN 75 4.671 19.705 -9.436 490 HE22 GLN 75 HE22 GLN 75 4.892 20.690 -8.034 491 H LEU 76 HN LEU 76 -0.792 16.195 -7.488 492 HA LEU 76 HA LEU 76 -1.370 15.533 -10.257 493 HB2 LEU 76 HB2 LEU 76 -2.058 14.258 -7.634 494 HB3 LEU 76 HB1 LEU 76 -2.851 13.765 -9.118 495 HG LEU 76 HG LEU 76 0.116 13.621 -8.567 496 HD11 LEU 76 HD11 LEU 76 -1.969 11.459 -8.829 497 HD12 LEU 76 HD12 LEU 76 -1.166 11.957 -7.340 498 HD13 LEU 76 HD13 LEU 76 -0.237 11.202 -8.634 499 HD21 LEU 76 HD21 LEU 76 -0.139 14.041 -10.884 500 HD22 LEU 76 HD22 LEU 76 -1.513 12.942 -11.005 501 HD23 LEU 76 HD23 LEU 76 0.107 12.303 -10.720 502 H GLU 77 HN GLU 77 -2.474 17.890 -8.390 503 HA GLU 77 HA GLU 77 -4.357 19.168 -8.303 504 HB2 GLU 77 HB2 GLU 77 -5.110 17.690 -10.833 505 HB3 GLU 77 HB1 GLU 77 -5.766 19.228 -10.290 506 HG2 GLU 77 HG2 GLU 77 -2.832 19.030 -10.664 507 HG3 GLU 77 HG1 GLU 77 -3.851 19.068 -12.102 508 H MET 78 HN MET 78 -4.432 16.988 -6.684 509 HA MET 78 HA MET 78 -6.941 15.585 -7.045 510 HB2 MET 78 HB2 MET 78 -4.961 15.502 -4.763 511 HB3 MET 78 HB1 MET 78 -6.338 14.426 -4.964 512 HG2 MET 78 HG2 MET 78 -5.392 13.466 -6.925 513 HG3 MET 78 HG1 MET 78 -4.095 14.657 -6.946 514 HE1 MET 78 HE1 MET 78 -5.532 11.426 -5.382 515 HE2 MET 78 HE2 MET 78 -5.657 12.507 -3.993 516 HE3 MET 78 HE3 MET 78 -4.509 11.169 -3.970 517 H GLU 79 HN GLU 79 -8.751 15.806 -5.805 518 HA GLU 79 HA GLU 79 -8.874 18.225 -4.135 519 HB2 GLU 79 HB2 GLU 79 -10.588 17.219 -6.258 520 HB3 GLU 79 HB1 GLU 79 -11.491 17.508 -4.779 521 HG2 GLU 79 HG2 GLU 79 -9.657 19.557 -5.982 522 HG3 GLU 79 HG1 GLU 79 -11.360 19.423 -6.417 523 H ASP 80 HN ASP 80 -10.848 18.026 -2.560 524 HA ASP 80 HA ASP 80 -10.231 15.922 -0.758 525 HB2 ASP 80 HB2 ASP 80 -11.094 18.211 -0.124 526 HB3 ASP 80 HB1 ASP 80 -12.680 17.694 -0.684 527 H GLU 81 HN GLU 81 -11.339 14.104 -0.222 528 HA GLU 81 HA GLU 81 -12.768 12.355 -0.341 529 HB2 GLU 81 HB2 GLU 81 -14.415 14.332 -1.884 530 HB3 GLU 81 HB1 GLU 81 -14.895 12.646 -1.784 531 HG2 GLU 81 HG2 GLU 81 -14.703 12.938 0.749 532 HG3 GLU 81 HG1 GLU 81 -14.688 14.669 0.411 533 H ASP 82 HN ASP 82 -10.684 13.168 -2.503 534 HA ASP 82 HA ASP 82 -11.537 11.867 -4.883 535 HB2 ASP 82 HB2 ASP 82 -9.424 13.453 -4.322 536 HB3 ASP 82 HB1 ASP 82 -8.632 11.879 -4.264 537 H THR 83 HN THR 83 -10.749 9.800 -5.710 538 HA THR 83 HA THR 83 -10.401 7.869 -3.512 539 HB THR 83 HB THR 83 -11.621 7.237 -6.194 540 HG1 THR 83 HG1 THR 83 -12.664 8.870 -4.518 541 HG21 THR 83 HG21 THR 83 -12.542 5.310 -5.012 542 HG22 THR 83 HG22 THR 83 -11.806 5.861 -3.506 543 HG23 THR 83 HG23 THR 83 -10.784 5.337 -4.845 544 H ILE 84 HN ILE 84 -8.714 6.569 -3.498 545 HA ILE 84 HA ILE 84 -7.009 6.410 -5.904 546 HB ILE 84 HB ILE 84 -6.128 6.067 -3.031 547 HG12 ILE 84 HG12 ILE 84 -5.576 8.425 -4.835 548 HG13 ILE 84 HG11 ILE 84 -6.874 8.406 -3.646 549 HG21 ILE 84 HG21 ILE 84 -3.865 6.201 -3.961 550 HG22 ILE 84 HG22 ILE 84 -4.545 6.323 -5.583 551 HG23 ILE 84 HG23 ILE 84 -4.769 4.848 -4.644 552 HD11 ILE 84 HD11 ILE 84 -3.943 8.095 -3.047 553 HD12 ILE 84 HD12 ILE 84 -5.249 8.110 -1.864 554 HD13 ILE 84 HD13 ILE 84 -4.900 9.556 -2.809 555 H ASP 85 HN ASP 85 -6.425 4.356 -6.611 556 HA ASP 85 HA ASP 85 -7.694 2.137 -5.144 557 HB2 ASP 85 HB2 ASP 85 -8.137 2.846 -7.719 558 HB3 ASP 85 HB1 ASP 85 -6.833 1.682 -7.932 559 H VAL 86 HN VAL 86 -6.603 0.190 -4.873 560 HA VAL 86 HA VAL 86 -3.681 0.303 -5.252 561 HB VAL 86 HB VAL 86 -5.101 -1.049 -2.947 562 HG11 VAL 86 HG11 VAL 86 -2.867 -1.205 -1.975 563 HG12 VAL 86 HG12 VAL 86 -2.183 -0.437 -3.408 564 HG13 VAL 86 HG13 VAL 86 -2.941 -2.024 -3.536 565 HG21 VAL 86 HG21 VAL 86 -4.300 0.773 -1.539 566 HG22 VAL 86 HG22 VAL 86 -5.381 1.377 -2.793 567 HG23 VAL 86 HG23 VAL 86 -3.637 1.590 -2.953 568 H PHE 87 HN PHE 87 -2.839 -1.364 -6.336 569 HA PHE 87 HA PHE 87 -4.490 -3.787 -6.687 570 HB2 PHE 87 HB2 PHE 87 -2.545 -2.574 -8.668 571 HB3 PHE 87 HB1 PHE 87 -3.511 -4.023 -8.924 572 HD1 PHE 87 HD1 PHE 87 -6.024 -3.795 -8.946 573 HD2 PHE 87 HD2 PHE 87 -3.401 -0.453 -9.164 574 HE1 PHE 87 HE1 PHE 87 -7.847 -2.421 -9.848 575 HE2 PHE 87 HE2 PHE 87 -5.228 0.923 -10.069 576 HZ PHE 87 HZ PHE 87 -7.457 -0.064 -10.408 577 H GLN 88 HN GLN 88 -3.214 -5.773 -7.120 578 HA GLN 88 HA GLN 88 -0.712 -5.713 -5.573 579 HB2 GLN 88 HB2 GLN 88 -2.453 -8.108 -6.185 580 HB3 GLN 88 HB1 GLN 88 -1.064 -8.067 -5.109 581 HG2 GLN 88 HG2 GLN 88 -2.452 -6.241 -3.863 582 HG3 GLN 88 HG1 GLN 88 -3.811 -6.992 -4.698 583 HE21 GLN 88 HE21 GLN 88 -4.775 -7.882 -2.920 584 HE22 GLN 88 HE22 GLN 88 -4.058 -9.144 -1.981 585 H GLN 89 HN GLN 89 1.159 -6.392 -6.459 586 HA GLN 89 HA GLN 89 1.307 -6.635 -9.309 587 HB2 GLN 89 HB2 GLN 89 3.056 -5.524 -7.937 588 HB3 GLN 89 HB1 GLN 89 3.453 -7.080 -7.223 589 HG2 GLN 89 HG2 GLN 89 5.063 -6.607 -8.902 590 HG3 GLN 89 HG1 GLN 89 4.025 -7.901 -9.500 591 HE21 GLN 89 HE21 GLN 89 4.453 -7.493 -11.641 592 HE22 GLN 89 HE22 GLN 89 3.885 -6.082 -12.465 593 H GLN 90 HN GLN 90 1.262 -8.429 -10.497 594 HA GLN 90 HA GLN 90 0.686 -10.948 -9.377 595 HB2 GLN 90 HB2 GLN 90 1.540 -10.143 -12.158 596 HB3 GLN 90 HB1 GLN 90 1.094 -11.788 -11.731 597 HG2 GLN 90 HG2 GLN 90 -0.829 -10.868 -12.677 598 HG3 GLN 90 HG1 GLN 90 -1.116 -10.819 -10.939 599 HE21 GLN 90 HE21 GLN 90 -2.627 -9.171 -11.124 600 HE22 GLN 90 HE22 GLN 90 -2.172 -7.544 -11.489 601 H THR 91 HN THR 91 1.946 -12.560 -8.710 602 HA THR 91 HA THR 91 4.708 -12.197 -8.318 603 HB THR 91 HB THR 91 3.711 -14.967 -8.261 604 HG1 THR 91 HG1 THR 91 2.171 -14.604 -6.704 605 HG21 THR 91 HG21 THR 91 4.931 -13.146 -6.176 606 HG22 THR 91 HG22 THR 91 5.808 -14.289 -7.192 607 HG23 THR 91 HG23 THR 91 4.656 -14.878 -5.994 608 H GLY 92 HN GLY 92 2.871 -13.886 -10.809 609 HA2 GLY 92 HA2 GLY 92 4.607 -13.733 -12.854 610 HA3 GLY 92 HA1 GLY 92 5.238 -15.098 -11.940 611 H ASN 357 HT1 ASN 357 -19.915 -3.320 7.202 612 HA ASN 357 HA ASN 357 -18.675 -1.634 5.119 613 HB2 ASN 357 HB2 ASN 357 -20.704 -0.665 6.322 614 HB3 ASN 357 HB1 ASN 357 -19.770 -0.789 7.807 615 HD21 ASN 357 HD21 ASN 357 -20.757 1.613 6.986 616 HD22 ASN 357 HD22 ASN 357 -19.462 2.642 6.478 617 H ASN 358 HN ASN 358 -16.537 -1.682 5.287 618 HA ASN 358 HA ASN 358 -15.357 -2.246 7.938 619 HB2 ASN 358 HB2 ASN 358 -14.920 -4.063 6.312 620 HB3 ASN 358 HB1 ASN 358 -14.250 -2.898 5.180 621 HD21 ASN 358 HD21 ASN 358 -12.267 -3.898 5.095 622 HD22 ASN 358 HD22 ASN 358 -11.146 -3.862 6.411 623 H ARG 359 HN ARG 359 -14.271 -0.581 8.754 624 HA ARG 359 HA ARG 359 -13.211 1.409 6.886 625 HB2 ARG 359 HB2 ARG 359 -13.806 3.206 8.430 626 HB3 ARG 359 HB1 ARG 359 -15.224 2.314 7.900 627 HG2 ARG 359 HG2 ARG 359 -15.401 1.202 10.000 628 HG3 ARG 359 HG1 ARG 359 -13.837 1.833 10.523 629 HD2 ARG 359 HD2 ARG 359 -14.725 4.102 10.489 630 HD3 ARG 359 HD1 ARG 359 -16.278 3.500 9.910 631 HE ARG 359 HE ARG 359 -15.649 2.192 12.307 632 HH11 ARG 359 HH11 ARG 359 -17.260 5.899 12.653 633 HH12 ARG 359 HH12 ARG 359 -16.410 5.416 11.134 634 HH21 ARG 359 HH21 ARG 359 -16.674 2.774 14.272 635 HH22 ARG 359 HH22 ARG 359 -17.391 4.423 14.413 636 H ASP 360 HN ASP 360 -11.207 1.975 7.110 637 HA ASP 360 HA ASP 360 -9.809 1.296 9.600 638 HB2 ASP 360 HB2 ASP 360 -9.167 -0.171 7.632 639 HB3 ASP 360 HB1 ASP 360 -8.517 1.271 6.868 640 HA PRO 361 HA PRO 361 -8.846 5.638 9.121 641 HB2 PRO 361 HB2 PRO 361 -8.361 6.118 11.698 642 HB3 PRO 361 HB1 PRO 361 -9.964 5.583 11.174 643 HG2 PRO 361 HG2 PRO 361 -7.942 4.098 12.706 644 HG3 PRO 361 HG1 PRO 361 -9.678 3.791 12.540 645 HD2 PRO 361 HD2 PRO 361 -7.451 2.573 11.052 646 HD3 PRO 361 HD1 PRO 361 -9.171 2.094 11.126 647 H ILE 362 HN ILE 362 -7.042 6.550 8.364 648 HA ILE 362 HA ILE 362 -4.470 5.755 9.539 649 HB ILE 362 HB ILE 362 -4.820 6.601 6.671 650 HG12 ILE 362 HG12 ILE 362 -4.793 3.830 7.888 651 HG13 ILE 362 HG11 ILE 362 -6.070 4.550 6.915 652 HG21 ILE 362 HG21 ILE 362 -2.598 5.620 6.397 653 HG22 ILE 362 HG22 ILE 362 -2.552 5.212 8.115 654 HG23 ILE 362 HG23 ILE 362 -2.576 6.904 7.604 655 HD11 ILE 362 HD11 ILE 362 -3.319 3.823 5.952 656 HD12 ILE 362 HD12 ILE 362 -4.606 4.528 4.975 657 HD13 ILE 362 HD13 ILE 362 -4.802 2.913 5.658 658 H VAL 363 HN VAL 363 -3.149 7.252 10.160 659 HA VAL 363 HA VAL 363 -3.862 10.065 9.675 660 HB VAL 363 HB VAL 363 -2.370 8.984 12.075 661 HG11 VAL 363 HG11 VAL 363 -2.918 11.181 13.061 662 HG12 VAL 363 HG12 VAL 363 -3.614 11.678 11.517 663 HG13 VAL 363 HG13 VAL 363 -1.889 11.311 11.634 664 HG21 VAL 363 HG21 VAL 363 -4.495 9.442 13.321 665 HG22 VAL 363 HG22 VAL 363 -4.551 8.063 12.223 666 HG23 VAL 363 HG23 VAL 363 -5.298 9.594 11.757 667 H ILE 364 HN ILE 364 -2.313 11.378 8.999 668 HA ILE 364 HA ILE 364 0.274 10.164 8.338 669 HB ILE 364 HB ILE 364 -1.504 11.259 6.555 670 HG12 ILE 364 HG12 ILE 364 0.252 11.018 4.948 671 HG13 ILE 364 HG11 ILE 364 1.498 11.252 6.173 672 HG21 ILE 364 HG21 ILE 364 -1.140 13.523 7.362 673 HG22 ILE 364 HG22 ILE 364 -0.477 13.341 5.738 674 HG23 ILE 364 HG23 ILE 364 0.598 13.341 7.132 675 HD11 ILE 364 HD11 ILE 364 -0.309 9.029 6.733 676 HD12 ILE 364 HD12 ILE 364 1.455 9.106 6.772 677 HD13 ILE 364 HD13 ILE 364 0.618 8.848 5.241 678 H SEP 365 HN SEP 365 2.123 11.375 8.601 679 HA SEP 365 HA SEP 365 1.865 13.398 10.698 680 HB2 SEP 365 HB1 SEP 365 3.271 11.675 11.445 681 HB3 SEP 365 HB2 SEP 365 4.439 12.804 10.758 682 H ASP 366 HN ASP 366 2.351 15.418 10.251 683 HA ASP 366 HA ASP 366 3.746 16.031 7.735 684 HB2 ASP 366 HB2 ASP 366 1.209 16.584 8.034 685 HB3 ASP 366 HB1 ASP 366 1.793 17.898 9.046 686 H SEP 367 HN SEP 367 5.552 17.101 7.954 687 HA SEP 367 HA SEP 367 6.383 18.020 10.541 688 HB2 SEP 367 HB1 SEP 367 8.544 18.283 9.502 689 HB3 SEP 367 HB2 SEP 367 7.825 18.212 7.887 690 HA PRO 368 HA PRO 368 4.847 22.154 10.145 691 HB2 PRO 368 HB2 PRO 368 7.152 22.762 11.923 692 HB3 PRO 368 HB1 PRO 368 5.437 23.147 12.129 693 HG2 PRO 368 HG2 PRO 368 6.552 21.209 13.557 694 HG3 PRO 368 HG1 PRO 368 4.903 21.048 12.920 695 HD2 PRO 368 HD2 PRO 368 7.426 19.796 11.948 696 HD3 PRO 368 HD1 PRO 368 5.781 19.132 12.008 Start of MODEL 15 1 H ASP 16 HT1 ASP 16 -4.243 23.338 5.431 2 HA ASP 16 HA ASP 16 -6.610 22.589 7.025 3 HB2 ASP 16 HB2 ASP 16 -6.481 23.321 4.088 4 HB3 ASP 16 HB1 ASP 16 -7.873 22.606 4.889 5 H HIS 17 HN HIS 17 -7.468 20.516 6.346 6 HA HIS 17 HA HIS 17 -5.362 18.767 5.271 7 HB2 HIS 17 HB2 HIS 17 -7.600 18.274 7.227 8 HB3 HIS 17 HB1 HIS 17 -6.812 16.944 6.387 9 HD2 HIS 17 HD2 HIS 17 -3.889 16.961 6.850 10 HE1 HIS 17 HE1 HIS 17 -4.483 18.606 10.701 11 HE2 HIS 17 HE2 HIS 17 -2.894 17.300 9.223 12 H ILE 18 HN ILE 18 -6.222 16.795 4.136 13 HA ILE 18 HA ILE 18 -8.658 17.380 2.600 14 HB ILE 18 HB ILE 18 -6.729 18.019 1.224 15 HG12 ILE 18 HG12 ILE 18 -7.963 15.447 0.221 16 HG13 ILE 18 HG11 ILE 18 -8.751 17.020 0.167 17 HG21 ILE 18 HG21 ILE 18 -5.100 16.376 0.467 18 HG22 ILE 18 HG22 ILE 18 -5.834 15.155 1.504 19 HG23 ILE 18 HG23 ILE 18 -5.046 16.559 2.219 20 HD11 ILE 18 HD11 ILE 18 -6.208 16.257 -1.250 21 HD12 ILE 18 HD12 ILE 18 -6.958 17.853 -1.284 22 HD13 ILE 18 HD13 ILE 18 -7.797 16.470 -1.985 23 H ASN 19 HN ASN 19 -10.012 15.681 2.417 24 HA ASN 19 HA ASN 19 -9.237 13.218 3.756 25 HB2 ASN 19 HB2 ASN 19 -11.889 14.112 2.609 26 HB3 ASN 19 HB1 ASN 19 -11.633 12.591 3.456 27 HD21 ASN 19 HD21 ASN 19 -11.865 16.030 3.736 28 HD22 ASN 19 HD22 ASN 19 -11.998 16.086 5.466 29 H LEU 20 HN LEU 20 -8.039 11.926 2.530 30 HA LEU 20 HA LEU 20 -8.899 11.402 -0.231 31 HB2 LEU 20 HB2 LEU 20 -6.307 10.726 1.167 32 HB3 LEU 20 HB1 LEU 20 -6.685 10.320 -0.496 33 HG LEU 20 HG LEU 20 -6.340 13.099 0.639 34 HD11 LEU 20 HD11 LEU 20 -4.725 11.560 -1.387 35 HD12 LEU 20 HD12 LEU 20 -4.261 11.849 0.288 36 HD13 LEU 20 HD13 LEU 20 -4.410 13.202 -0.831 37 HD21 LEU 20 HD21 LEU 20 -6.604 13.827 -1.726 38 HD22 LEU 20 HD22 LEU 20 -8.080 13.177 -1.017 39 HD23 LEU 20 HD23 LEU 20 -7.130 12.192 -2.128 40 H LYS 21 HN LYS 21 -9.951 9.577 -0.679 41 HA LYS 21 HA LYS 21 -10.080 7.531 1.412 42 HB2 LYS 21 HB2 LYS 21 -11.866 8.296 -0.865 43 HB3 LYS 21 HB1 LYS 21 -11.975 6.682 -0.175 44 HG2 LYS 21 HG2 LYS 21 -12.510 7.586 1.990 45 HG3 LYS 21 HG1 LYS 21 -12.253 9.230 1.403 46 HD2 LYS 21 HD2 LYS 21 -14.136 9.080 -0.056 47 HD3 LYS 21 HD1 LYS 21 -14.315 7.353 0.267 48 HE2 LYS 21 HE2 LYS 21 -14.998 7.769 2.511 49 HE3 LYS 21 HE1 LYS 21 -14.564 9.474 2.392 50 HZ1 LYS 21 HZ1 LYS 21 -16.358 9.898 0.966 51 HZ2 LYS 21 HZ2 LYS 21 -16.996 8.912 2.190 52 HZ3 LYS 21 HZ3 LYS 21 -16.638 8.250 0.678 53 H VAL 22 HN VAL 22 -8.479 6.127 1.183 54 HA VAL 22 HA VAL 22 -7.792 5.129 -1.480 55 HB VAL 22 HB VAL 22 -6.427 4.452 1.131 56 HG11 VAL 22 HG11 VAL 22 -6.018 2.918 -0.740 57 HG12 VAL 22 HG12 VAL 22 -4.565 3.796 -0.267 58 HG13 VAL 22 HG13 VAL 22 -5.454 4.275 -1.712 59 HG21 VAL 22 HG21 VAL 22 -5.590 6.566 -0.841 60 HG22 VAL 22 HG22 VAL 22 -4.815 6.166 0.688 61 HG23 VAL 22 HG23 VAL 22 -6.416 6.901 0.679 62 H ALA 23 HN ALA 23 -8.684 3.291 -2.171 63 HA ALA 23 HA ALA 23 -9.584 1.335 -0.164 64 HB1 ALA 23 HB1 ALA 23 -11.604 0.912 -1.411 65 HB2 ALA 23 HB2 ALA 23 -11.120 2.057 -2.659 66 HB3 ALA 23 HB3 ALA 23 -11.513 2.631 -1.040 67 H GLY 24 HN GLY 24 -8.810 -0.630 -0.499 68 HA2 GLY 24 HA2 GLY 24 -7.373 -1.157 -2.982 69 HA3 GLY 24 HA1 GLY 24 -7.327 -2.140 -1.521 70 H GLN 25 HN GLN 25 -7.551 -3.515 -3.758 71 HA GLN 25 HA GLN 25 -10.252 -3.931 -4.607 72 HB2 GLN 25 HB2 GLN 25 -7.713 -5.513 -5.023 73 HB3 GLN 25 HB1 GLN 25 -9.261 -5.972 -5.724 74 HG2 GLN 25 HG2 GLN 25 -7.978 -3.294 -6.188 75 HG3 GLN 25 HG1 GLN 25 -7.709 -4.693 -7.225 76 HE21 GLN 25 HE21 GLN 25 -9.038 -2.016 -7.599 77 HE22 GLN 25 HE22 GLN 25 -10.584 -2.413 -8.281 78 H ASP 26 HN ASP 26 -9.167 -4.404 -1.704 79 HA ASP 26 HA ASP 26 -10.167 -7.117 -1.283 80 HB2 ASP 26 HB2 ASP 26 -9.148 -7.032 0.862 81 HB3 ASP 26 HB1 ASP 26 -7.995 -6.282 -0.234 82 H GLY 27 HN GLY 27 -10.903 -3.757 -0.671 83 HA2 GLY 27 HA2 GLY 27 -13.334 -3.282 -0.568 84 HA3 GLY 27 HA1 GLY 27 -13.442 -4.607 0.577 85 H SER 28 HN SER 28 -10.595 -3.066 1.249 86 HA SER 28 HA SER 28 -11.826 -1.733 3.518 87 HB2 SER 28 HB2 SER 28 -9.484 -1.392 4.293 88 HB3 SER 28 HB1 SER 28 -9.874 -3.082 4.001 89 HG SER 28 HG SER 28 -8.749 -2.977 2.049 90 H VAL 29 HN VAL 29 -12.287 0.345 3.573 91 HA VAL 29 HA VAL 29 -10.907 2.135 1.684 92 HB VAL 29 HB VAL 29 -13.287 2.020 1.186 93 HG11 VAL 29 HG11 VAL 29 -14.052 1.327 3.426 94 HG12 VAL 29 HG12 VAL 29 -15.002 2.651 2.754 95 HG13 VAL 29 HG13 VAL 29 -13.794 2.974 3.996 96 HG21 VAL 29 HG21 VAL 29 -13.871 4.413 1.417 97 HG22 VAL 29 HG22 VAL 29 -12.229 4.154 0.826 98 HG23 VAL 29 HG23 VAL 29 -12.500 4.611 2.508 99 H VAL 30 HN VAL 30 -9.653 3.675 2.546 100 HA VAL 30 HA VAL 30 -9.813 4.047 5.460 101 HB VAL 30 HB VAL 30 -7.538 4.786 5.443 102 HG11 VAL 30 HG11 VAL 30 -6.769 2.716 5.431 103 HG12 VAL 30 HG12 VAL 30 -6.959 2.583 3.680 104 HG13 VAL 30 HG13 VAL 30 -8.316 2.213 4.743 105 HG21 VAL 30 HG21 VAL 30 -7.366 6.064 3.477 106 HG22 VAL 30 HG22 VAL 30 -7.779 4.689 2.457 107 HG23 VAL 30 HG23 VAL 30 -6.224 4.734 3.291 108 H GLN 31 HN GLN 31 -9.480 6.097 6.353 109 HA GLN 31 HA GLN 31 -10.265 8.341 4.615 110 HB2 GLN 31 HB2 GLN 31 -11.863 7.763 6.463 111 HB3 GLN 31 HB1 GLN 31 -10.583 8.104 7.619 112 HG2 GLN 31 HG2 GLN 31 -10.516 10.413 6.925 113 HG3 GLN 31 HG1 GLN 31 -11.709 10.099 5.663 114 HE21 GLN 31 HE21 GLN 31 -11.759 11.933 7.957 115 HE22 GLN 31 HE22 GLN 31 -13.185 11.530 8.846 116 H PHE 32 HN PHE 32 -8.225 8.889 3.967 117 HA PHE 32 HA PHE 32 -6.019 9.019 5.773 118 HB2 PHE 32 HB2 PHE 32 -6.417 9.123 2.947 119 HB3 PHE 32 HB1 PHE 32 -5.449 10.512 3.433 120 HD1 PHE 32 HD1 PHE 32 -5.549 6.920 3.038 121 HD2 PHE 32 HD2 PHE 32 -3.287 10.182 4.556 122 HE1 PHE 32 HE1 PHE 32 -3.562 5.479 3.153 123 HE2 PHE 32 HE2 PHE 32 -1.291 8.746 4.673 124 HZ PHE 32 HZ PHE 32 -1.430 6.394 3.970 125 H LYS 33 HN LYS 33 -5.820 10.499 7.260 126 HA LYS 33 HA LYS 33 -6.790 13.217 6.817 127 HB2 LYS 33 HB2 LYS 33 -7.116 11.998 9.019 128 HB3 LYS 33 HB1 LYS 33 -5.377 12.099 9.252 129 HG2 LYS 33 HG2 LYS 33 -5.925 13.965 10.384 130 HG3 LYS 33 HG1 LYS 33 -5.918 14.684 8.773 131 HD2 LYS 33 HD2 LYS 33 -8.337 14.281 8.604 132 HD3 LYS 33 HD1 LYS 33 -8.323 13.614 10.238 133 HE2 LYS 33 HE2 LYS 33 -7.522 15.764 11.102 134 HE3 LYS 33 HE1 LYS 33 -7.565 16.431 9.471 135 HZ1 LYS 33 HZ1 LYS 33 -9.533 16.972 10.857 136 HZ2 LYS 33 HZ2 LYS 33 -9.940 15.334 10.858 137 HZ3 LYS 33 HZ3 LYS 33 -9.915 16.190 9.406 138 H ILE 34 HN ILE 34 -5.340 13.836 5.183 139 HA ILE 34 HA ILE 34 -2.573 14.242 6.103 140 HB ILE 34 HB ILE 34 -2.872 12.280 4.528 141 HG12 ILE 34 HG12 ILE 34 -1.099 14.442 3.402 142 HG13 ILE 34 HG11 ILE 34 -0.724 13.573 4.886 143 HG21 ILE 34 HG21 ILE 34 -3.120 12.773 2.146 144 HG22 ILE 34 HG22 ILE 34 -3.419 14.465 2.529 145 HG23 ILE 34 HG23 ILE 34 -4.551 13.226 3.066 146 HD11 ILE 34 HD11 ILE 34 -0.996 12.407 2.125 147 HD12 ILE 34 HD12 ILE 34 -0.782 11.457 3.592 148 HD13 ILE 34 HD13 ILE 34 0.479 12.575 3.076 149 H LYS 35 HN LYS 35 -1.407 15.882 4.716 150 HA LYS 35 HA LYS 35 -3.143 18.174 4.286 151 HB2 LYS 35 HB2 LYS 35 -0.152 17.821 4.401 152 HB3 LYS 35 HB1 LYS 35 -0.880 19.313 3.826 153 HG2 LYS 35 HG2 LYS 35 -2.090 19.431 6.040 154 HG3 LYS 35 HG1 LYS 35 -1.042 18.113 6.573 155 HD2 LYS 35 HD2 LYS 35 0.909 19.567 5.829 156 HD3 LYS 35 HD1 LYS 35 -0.254 20.888 5.712 157 HE2 LYS 35 HE2 LYS 35 -0.698 20.832 8.024 158 HE3 LYS 35 HE1 LYS 35 0.081 19.263 8.214 159 HZ1 LYS 35 HZ1 LYS 35 2.212 20.314 7.660 160 HZ2 LYS 35 HZ2 LYS 35 1.508 21.005 9.038 161 HZ3 LYS 35 HZ3 LYS 35 1.442 21.823 7.562 162 H ARG 36 HN ARG 36 -2.025 19.593 2.317 163 HA ARG 36 HA ARG 36 -2.556 17.928 -0.019 164 HB2 ARG 36 HB2 ARG 36 -2.374 20.930 0.258 165 HB3 ARG 36 HB1 ARG 36 -2.782 20.076 -1.225 166 HG2 ARG 36 HG2 ARG 36 -4.733 19.083 0.007 167 HG3 ARG 36 HG1 ARG 36 -4.371 20.201 1.324 168 HD2 ARG 36 HD2 ARG 36 -6.109 21.099 -0.127 169 HD3 ARG 36 HD1 ARG 36 -4.652 22.089 -0.204 170 HE ARG 36 HE ARG 36 -4.189 21.152 -2.359 171 HH11 ARG 36 HH11 ARG 36 -7.393 20.448 -1.064 172 HH12 ARG 36 HH12 ARG 36 -8.082 20.057 -2.694 173 HH21 ARG 36 HH21 ARG 36 -5.032 20.642 -4.426 174 HH22 ARG 36 HH22 ARG 36 -6.744 20.077 -4.541 175 H HIS 37 HN HIS 37 0.105 19.288 1.619 176 HA HIS 37 HA HIS 37 1.729 19.214 -0.826 177 HB2 HIS 37 HB2 HIS 37 3.251 20.698 0.152 178 HB3 HIS 37 HB1 HIS 37 1.690 21.285 0.704 179 HD2 HIS 37 HD2 HIS 37 1.230 19.634 3.385 180 HE1 HIS 37 HE1 HIS 37 5.149 20.847 4.414 181 HE2 HIS 37 HE2 HIS 37 3.053 19.705 5.242 182 H THR 38 HN THR 38 0.947 17.257 1.722 183 HA THR 38 HA THR 38 3.497 16.113 2.287 184 HB THR 38 HB THR 38 0.862 14.712 2.700 185 HG1 THR 38 HG1 THR 38 1.999 16.643 4.478 186 HG21 THR 38 HG21 THR 38 2.285 13.244 3.646 187 HG22 THR 38 HG22 THR 38 2.415 14.421 4.953 188 HG23 THR 38 HG23 THR 38 3.608 14.409 3.659 189 HA PRO 39 HA PRO 39 3.974 13.854 -1.530 190 HB2 PRO 39 HB2 PRO 39 5.638 12.102 0.199 191 HB3 PRO 39 HB1 PRO 39 6.048 12.901 -1.325 192 HG2 PRO 39 HG2 PRO 39 7.005 13.822 0.970 193 HG3 PRO 39 HG1 PRO 39 6.490 14.929 -0.318 194 HD2 PRO 39 HD2 PRO 39 5.101 14.216 2.219 195 HD3 PRO 39 HD1 PRO 39 5.176 15.770 1.367 196 H LEU 40 HN LEU 40 2.915 12.208 -2.450 197 HA LEU 40 HA LEU 40 1.112 10.627 -0.919 198 HB2 LEU 40 HB2 LEU 40 1.924 10.552 -3.820 199 HB3 LEU 40 HB1 LEU 40 0.725 9.468 -3.140 200 HG LEU 40 HG LEU 40 0.498 12.480 -3.154 201 HD11 LEU 40 HD11 LEU 40 -1.229 12.122 -4.856 202 HD12 LEU 40 HD12 LEU 40 -0.815 10.406 -4.896 203 HD13 LEU 40 HD13 LEU 40 0.368 11.614 -5.405 204 HD21 LEU 40 HD21 LEU 40 -1.446 10.311 -2.379 205 HD22 LEU 40 HD22 LEU 40 -1.849 12.024 -2.538 206 HD23 LEU 40 HD23 LEU 40 -0.703 11.494 -1.303 207 H SER 41 HN SER 41 4.375 10.320 -1.545 208 HA SER 41 HA SER 41 4.705 7.547 -1.810 209 HB2 SER 41 HB2 SER 41 6.853 8.662 -0.299 210 HB3 SER 41 HB1 SER 41 6.821 8.273 -2.023 211 HG SER 41 HG SER 41 6.937 10.353 -2.299 212 H LYS 42 HN LYS 42 4.316 9.681 0.963 213 HA LYS 42 HA LYS 42 4.807 7.696 2.944 214 HB2 LYS 42 HB2 LYS 42 4.933 10.179 3.345 215 HB3 LYS 42 HB1 LYS 42 3.177 10.230 3.248 216 HG2 LYS 42 HG2 LYS 42 3.059 8.662 5.152 217 HG3 LYS 42 HG1 LYS 42 4.816 8.727 5.284 218 HD2 LYS 42 HD2 LYS 42 4.551 11.242 5.549 219 HD3 LYS 42 HD1 LYS 42 2.819 10.932 5.741 220 HE2 LYS 42 HE2 LYS 42 3.144 9.700 7.707 221 HE3 LYS 42 HE1 LYS 42 4.864 9.491 7.402 222 HZ1 LYS 42 HZ1 LYS 42 5.315 11.665 8.049 223 HZ2 LYS 42 HZ2 LYS 42 4.150 11.164 9.175 224 HZ3 LYS 42 HZ3 LYS 42 3.711 12.172 7.885 225 H LEU 43 HN LEU 43 2.036 8.770 1.146 226 HA LEU 43 HA LEU 43 -0.012 7.600 2.662 227 HB2 LEU 43 HB2 LEU 43 -0.278 9.267 0.805 228 HB3 LEU 43 HB1 LEU 43 0.044 7.966 -0.326 229 HG LEU 43 HG LEU 43 -2.136 7.439 1.589 230 HD11 LEU 43 HD11 LEU 43 -2.506 9.815 1.155 231 HD12 LEU 43 HD12 LEU 43 -3.742 8.826 0.375 232 HD13 LEU 43 HD13 LEU 43 -2.430 9.517 -0.584 233 HD21 LEU 43 HD21 LEU 43 -1.800 7.151 -1.399 234 HD22 LEU 43 HD22 LEU 43 -3.206 6.605 -0.486 235 HD23 LEU 43 HD23 LEU 43 -1.624 5.882 -0.190 236 H MET 44 HN MET 44 1.948 6.373 -0.002 237 HA MET 44 HA MET 44 0.659 3.856 -0.190 238 HB2 MET 44 HB2 MET 44 3.462 4.658 -0.998 239 HB3 MET 44 HB1 MET 44 2.650 3.177 -1.485 240 HG2 MET 44 HG2 MET 44 0.868 4.644 -2.511 241 HG3 MET 44 HG1 MET 44 1.969 5.998 -2.249 242 HE1 MET 44 HE1 MET 44 4.135 6.450 -3.622 243 HE2 MET 44 HE2 MET 44 4.955 5.206 -4.570 244 HE3 MET 44 HE3 MET 44 4.792 5.019 -2.824 245 H LYS 45 HN LYS 45 3.559 4.959 1.520 246 HA LYS 45 HA LYS 45 4.320 2.441 2.529 247 HB2 LYS 45 HB2 LYS 45 4.900 5.234 3.504 248 HB3 LYS 45 HB1 LYS 45 5.630 3.793 4.198 249 HG2 LYS 45 HG2 LYS 45 6.586 3.248 1.992 250 HG3 LYS 45 HG1 LYS 45 5.916 4.753 1.360 251 HD2 LYS 45 HD2 LYS 45 7.816 4.626 3.699 252 HD3 LYS 45 HD1 LYS 45 8.339 4.854 2.029 253 HE2 LYS 45 HE2 LYS 45 7.140 6.915 1.862 254 HE3 LYS 45 HE1 LYS 45 6.359 6.646 3.418 255 HZ1 LYS 45 HZ1 LYS 45 8.452 6.899 4.519 256 HZ2 LYS 45 HZ2 LYS 45 8.194 8.243 3.530 257 HZ3 LYS 45 HZ3 LYS 45 9.274 7.035 3.049 258 H ALA 46 HN ALA 46 2.325 5.022 3.926 259 HA ALA 46 HA ALA 46 2.007 3.948 6.482 260 HB1 ALA 46 HB1 ALA 46 1.346 6.213 5.949 261 HB2 ALA 46 HB2 ALA 46 -0.019 5.329 6.632 262 HB3 ALA 46 HB3 ALA 46 0.067 5.615 4.895 263 H TYR 47 HN TYR 47 -0.030 3.503 3.596 264 HA TYR 47 HA TYR 47 -1.825 1.709 4.883 265 HB2 TYR 47 HB2 TYR 47 -2.448 2.993 2.861 266 HB3 TYR 47 HB1 TYR 47 -1.287 2.058 1.925 267 HD1 TYR 47 HD1 TYR 47 -1.984 0.122 0.839 268 HD2 TYR 47 HD2 TYR 47 -4.310 1.622 4.074 269 HE1 TYR 47 HE1 TYR 47 -3.699 -1.580 0.390 270 HE2 TYR 47 HE2 TYR 47 -6.031 -0.080 3.628 271 HH TYR 47 HH TYR 47 -6.798 -1.547 1.945 272 H CYS 48 HN CYS 48 1.175 1.368 3.166 273 HA CYS 48 HA CYS 48 1.137 -1.390 2.646 274 HB2 CYS 48 HB2 CYS 48 2.759 0.399 1.789 275 HB3 CYS 48 HB1 CYS 48 3.609 0.204 3.317 276 HG CYS 48 HG CYS 48 4.237 -2.480 2.897 277 H GLU 49 HN GLU 49 2.404 0.458 5.394 278 HA GLU 49 HA GLU 49 3.358 -1.743 6.881 279 HB2 GLU 49 HB2 GLU 49 2.342 0.912 7.920 280 HB3 GLU 49 HB1 GLU 49 3.390 -0.206 8.778 281 HG2 GLU 49 HG2 GLU 49 4.118 1.213 6.229 282 HG3 GLU 49 HG1 GLU 49 4.572 1.747 7.845 283 H ARG 50 HN ARG 50 0.277 -0.099 6.720 284 HA ARG 50 HA ARG 50 -1.042 -1.238 8.898 285 HB2 ARG 50 HB2 ARG 50 -1.708 0.673 7.282 286 HB3 ARG 50 HB1 ARG 50 -2.395 -0.601 6.292 287 HG2 ARG 50 HG2 ARG 50 -4.218 -0.707 7.555 288 HG3 ARG 50 HG1 ARG 50 -3.290 -0.772 9.055 289 HD2 ARG 50 HD2 ARG 50 -3.538 1.778 7.539 290 HD3 ARG 50 HD1 ARG 50 -4.825 1.244 8.619 291 HE ARG 50 HE ARG 50 -2.082 1.427 9.645 292 HH11 ARG 50 HH11 ARG 50 -5.415 2.473 9.566 293 HH12 ARG 50 HH12 ARG 50 -5.241 3.532 11.026 294 HH21 ARG 50 HH21 ARG 50 -3.208 3.625 12.150 295 HH22 ARG 50 HH22 ARG 50 -1.805 2.670 11.532 296 H GLN 51 HN GLN 51 -0.933 -2.294 5.506 297 HA GLN 51 HA GLN 51 -2.475 -4.662 6.041 298 HB2 GLN 51 HB2 GLN 51 -1.003 -3.642 3.618 299 HB3 GLN 51 HB1 GLN 51 -1.793 -5.213 3.641 300 HG2 GLN 51 HG2 GLN 51 -3.251 -2.668 4.284 301 HG3 GLN 51 HG1 GLN 51 -3.102 -3.293 2.643 302 HE21 GLN 51 HE21 GLN 51 -5.366 -3.524 2.519 303 HE22 GLN 51 HE22 GLN 51 -6.175 -4.832 3.317 304 H GLY 52 HN GLY 52 0.766 -3.834 6.458 305 HA2 GLY 52 HA2 GLY 52 2.561 -5.096 7.165 306 HA3 GLY 52 HA1 GLY 52 1.470 -6.470 7.271 307 H LEU 53 HN LEU 53 2.257 -4.507 4.453 308 HA LEU 53 HA LEU 53 3.471 -6.886 3.213 309 HB2 LEU 53 HB2 LEU 53 1.736 -4.812 1.862 310 HB3 LEU 53 HB1 LEU 53 2.502 -6.178 1.075 311 HG LEU 53 HG LEU 53 0.427 -6.476 3.245 312 HD11 LEU 53 HD11 LEU 53 -1.159 -6.955 1.447 313 HD12 LEU 53 HD12 LEU 53 0.068 -6.542 0.249 314 HD13 LEU 53 HD13 LEU 53 -0.551 -5.304 1.344 315 HD21 LEU 53 HD21 LEU 53 1.906 -8.401 2.909 316 HD22 LEU 53 HD22 LEU 53 1.491 -8.416 1.195 317 HD23 LEU 53 HD23 LEU 53 0.252 -8.749 2.406 318 H SER 54 HN SER 54 4.513 -6.020 1.009 319 HA SER 54 HA SER 54 6.327 -3.851 1.797 320 HB2 SER 54 HB2 SER 54 7.463 -5.962 1.354 321 HB3 SER 54 HB1 SER 54 6.672 -6.092 -0.213 322 HG SER 54 HG SER 54 8.947 -4.842 0.403 323 H MET 55 HN MET 55 6.687 -2.137 0.420 324 HA MET 55 HA MET 55 4.546 -1.317 -1.218 325 HB2 MET 55 HB2 MET 55 6.292 0.098 0.050 326 HB3 MET 55 HB1 MET 55 7.309 -0.141 -1.365 327 HG2 MET 55 HG2 MET 55 5.593 0.895 -2.769 328 HG3 MET 55 HG1 MET 55 4.583 1.134 -1.345 329 HE1 MET 55 HE1 MET 55 7.630 2.279 -3.406 330 HE2 MET 55 HE2 MET 55 8.487 1.650 -1.996 331 HE3 MET 55 HE3 MET 55 8.480 3.385 -2.325 332 H ARG 56 HN ARG 56 7.191 -3.339 -1.845 333 HA ARG 56 HA ARG 56 7.353 -2.766 -4.669 334 HB2 ARG 56 HB2 ARG 56 9.292 -3.532 -3.234 335 HB3 ARG 56 HB1 ARG 56 8.535 -5.117 -3.196 336 HG2 ARG 56 HG2 ARG 56 8.719 -5.291 -5.606 337 HG3 ARG 56 HG1 ARG 56 9.409 -3.670 -5.684 338 HD2 ARG 56 HD2 ARG 56 11.345 -4.379 -4.440 339 HD3 ARG 56 HD1 ARG 56 10.636 -5.971 -4.176 340 HE ARG 56 HE ARG 56 10.967 -6.463 -6.479 341 HH11 ARG 56 HH11 ARG 56 13.491 -3.318 -6.846 342 HH12 ARG 56 HH12 ARG 56 12.364 -3.401 -5.440 343 HH21 ARG 56 HH21 ARG 56 13.478 -4.968 -8.442 344 HH22 ARG 56 HH22 ARG 56 12.346 -6.365 -8.289 345 H GLN 57 HN GLN 57 5.176 -4.409 -2.773 346 HA GLN 57 HA GLN 57 4.589 -6.389 -4.868 347 HB2 GLN 57 HB2 GLN 57 4.922 -7.292 -2.615 348 HB3 GLN 57 HB1 GLN 57 3.630 -6.266 -2.006 349 HG2 GLN 57 HG2 GLN 57 2.002 -7.448 -3.321 350 HG3 GLN 57 HG1 GLN 57 3.269 -8.396 -4.102 351 HE21 GLN 57 HE21 GLN 57 0.946 -9.228 -2.510 352 HE22 GLN 57 HE22 GLN 57 1.588 -10.195 -1.225 353 H ILE 58 HN ILE 58 3.135 -3.776 -2.986 354 HA ILE 58 HA ILE 58 0.612 -4.097 -4.407 355 HB ILE 58 HB ILE 58 -0.115 -2.142 -2.973 356 HG12 ILE 58 HG12 ILE 58 2.542 -2.734 -1.644 357 HG13 ILE 58 HG11 ILE 58 2.073 -1.227 -2.426 358 HG21 ILE 58 HG21 ILE 58 -0.716 -4.442 -2.476 359 HG22 ILE 58 HG22 ILE 58 -0.400 -3.554 -0.986 360 HG23 ILE 58 HG23 ILE 58 0.806 -4.673 -1.617 361 HD11 ILE 58 HD11 ILE 58 0.983 -2.387 0.119 362 HD12 ILE 58 HD12 ILE 58 0.267 -1.007 -0.711 363 HD13 ILE 58 HD13 ILE 58 1.912 -0.904 -0.086 364 H ARG 59 HN ARG 59 -0.402 -2.393 -5.560 365 HA ARG 59 HA ARG 59 1.437 -0.334 -6.605 366 HB2 ARG 59 HB2 ARG 59 -0.589 -1.880 -8.237 367 HB3 ARG 59 HB1 ARG 59 0.484 -0.624 -8.834 368 HG2 ARG 59 HG2 ARG 59 1.421 -3.241 -7.681 369 HG3 ARG 59 HG1 ARG 59 1.196 -2.928 -9.403 370 HD2 ARG 59 HD2 ARG 59 2.866 -1.192 -9.351 371 HD3 ARG 59 HD1 ARG 59 3.024 -1.341 -7.601 372 HE ARG 59 HE ARG 59 3.867 -3.375 -9.566 373 HH11 ARG 59 HH11 ARG 59 5.465 -2.878 -5.881 374 HH12 ARG 59 HH12 ARG 59 4.021 -1.920 -6.363 375 HH21 ARG 59 HH21 ARG 59 5.667 -4.646 -8.967 376 HH22 ARG 59 HH22 ARG 59 6.347 -4.461 -7.306 377 H PHE 60 HN PHE 60 0.640 1.667 -6.463 378 HA PHE 60 HA PHE 60 -2.212 1.993 -5.847 379 HB2 PHE 60 HB2 PHE 60 0.192 3.752 -5.343 380 HB3 PHE 60 HB1 PHE 60 -1.459 4.331 -5.145 381 HD1 PHE 60 HD1 PHE 60 0.802 1.592 -4.036 382 HD2 PHE 60 HD2 PHE 60 -2.482 4.123 -3.092 383 HE1 PHE 60 HE1 PHE 60 0.792 0.715 -1.742 384 HE2 PHE 60 HE2 PHE 60 -2.499 3.248 -0.794 385 HZ PHE 60 HZ PHE 60 -0.860 1.539 -0.117 386 H ARG 61 HN ARG 61 -3.545 3.144 -7.166 387 HA ARG 61 HA ARG 61 -2.300 4.548 -9.429 388 HB2 ARG 61 HB2 ARG 61 -4.526 2.527 -9.529 389 HB3 ARG 61 HB1 ARG 61 -4.304 3.721 -10.798 390 HG2 ARG 61 HG2 ARG 61 -1.898 2.835 -10.939 391 HG3 ARG 61 HG1 ARG 61 -2.506 1.459 -10.018 392 HD2 ARG 61 HD2 ARG 61 -4.159 1.006 -11.739 393 HD3 ARG 61 HD1 ARG 61 -3.641 2.432 -12.637 394 HE ARG 61 HE ARG 61 -1.835 0.157 -12.142 395 HH11 ARG 61 HH11 ARG 61 -2.342 1.997 -15.721 396 HH12 ARG 61 HH12 ARG 61 -3.385 2.453 -14.323 397 HH21 ARG 61 HH21 ARG 61 -0.520 -0.475 -13.905 398 HH22 ARG 61 HH22 ARG 61 -0.734 0.370 -15.481 399 H PHE 62 HN PHE 62 -3.124 6.462 -9.935 400 HA PHE 62 HA PHE 62 -5.523 7.350 -8.470 401 HB2 PHE 62 HB2 PHE 62 -3.644 8.682 -7.781 402 HB3 PHE 62 HB1 PHE 62 -3.109 8.898 -9.443 403 HD1 PHE 62 HD1 PHE 62 -6.016 9.626 -7.225 404 HD2 PHE 62 HD2 PHE 62 -3.668 10.834 -10.565 405 HE1 PHE 62 HE1 PHE 62 -7.300 11.720 -7.369 406 HE2 PHE 62 HE2 PHE 62 -4.947 12.929 -10.711 407 HZ PHE 62 HZ PHE 62 -6.766 13.373 -9.113 408 H ASP 63 HN ASP 63 -7.247 7.485 -9.698 409 HA ASP 63 HA ASP 63 -8.652 7.839 -11.434 410 HB2 ASP 63 HB2 ASP 63 -7.563 10.066 -11.568 411 HB3 ASP 63 HB1 ASP 63 -6.374 9.396 -12.680 412 H GLY 64 HN GLY 64 -5.675 7.785 -13.365 413 HA2 GLY 64 HA2 GLY 64 -6.358 5.082 -14.283 414 HA3 GLY 64 HA1 GLY 64 -6.233 6.363 -15.476 415 H GLN 65 HN GLN 65 -4.033 7.259 -13.280 416 HA GLN 65 HA GLN 65 -1.892 5.728 -14.615 417 HB2 GLN 65 HB2 GLN 65 -1.800 8.564 -13.559 418 HB3 GLN 65 HB1 GLN 65 -0.457 7.707 -14.299 419 HG2 GLN 65 HG2 GLN 65 -3.045 8.312 -15.705 420 HG3 GLN 65 HG1 GLN 65 -1.607 9.326 -15.793 421 HE21 GLN 65 HE21 GLN 65 0.295 7.209 -15.861 422 HE22 GLN 65 HE22 GLN 65 0.155 6.433 -17.397 423 HA PRO 66 HA PRO 66 -0.626 4.313 -10.611 424 HB2 PRO 66 HB2 PRO 66 2.030 3.909 -11.078 425 HB3 PRO 66 HB1 PRO 66 0.768 2.817 -11.661 426 HG2 PRO 66 HG2 PRO 66 2.244 4.940 -13.137 427 HG3 PRO 66 HG1 PRO 66 1.745 3.327 -13.682 428 HD2 PRO 66 HD2 PRO 66 0.409 5.580 -14.364 429 HD3 PRO 66 HD1 PRO 66 -0.386 4.004 -14.180 430 H ILE 67 HN ILE 67 0.355 5.060 -8.730 431 HA ILE 67 HA ILE 67 1.171 7.853 -8.818 432 HB ILE 67 HB ILE 67 0.716 6.051 -6.434 433 HG12 ILE 67 HG12 ILE 67 -1.085 8.123 -7.713 434 HG13 ILE 67 HG11 ILE 67 -1.328 6.379 -7.751 435 HG21 ILE 67 HG21 ILE 67 1.004 9.052 -6.588 436 HG22 ILE 67 HG22 ILE 67 2.201 7.927 -5.939 437 HG23 ILE 67 HG23 ILE 67 0.640 8.117 -5.135 438 HD11 ILE 67 HD11 ILE 67 -1.405 8.142 -5.311 439 HD12 ILE 67 HD12 ILE 67 -1.584 6.388 -5.308 440 HD13 ILE 67 HD13 ILE 67 -2.784 7.395 -6.116 441 H ASN 68 HN ASN 68 3.168 8.592 -8.474 442 HA ASN 68 HA ASN 68 5.303 6.613 -8.023 443 HB2 ASN 68 HB2 ASN 68 5.359 9.402 -9.201 444 HB3 ASN 68 HB1 ASN 68 6.808 8.466 -8.855 445 HD21 ASN 68 HD21 ASN 68 4.797 9.359 -11.228 446 HD22 ASN 68 HD22 ASN 68 4.995 8.035 -12.325 447 H GLU 69 HN GLU 69 7.215 7.483 -6.768 448 HA GLU 69 HA GLU 69 6.310 8.295 -4.192 449 HB2 GLU 69 HB2 GLU 69 9.171 8.242 -5.146 450 HB3 GLU 69 HB1 GLU 69 8.584 8.072 -3.496 451 HG2 GLU 69 HG2 GLU 69 8.897 5.888 -3.890 452 HG3 GLU 69 HG1 GLU 69 7.314 6.006 -4.653 453 H THR 70 HN THR 70 7.126 10.047 -6.957 454 HA THR 70 HA THR 70 7.854 12.448 -5.440 455 HB THR 70 HB THR 70 7.894 13.030 -8.185 456 HG1 THR 70 HG1 THR 70 8.474 11.254 -9.171 457 HG21 THR 70 HG21 THR 70 9.467 13.851 -6.496 458 HG22 THR 70 HG22 THR 70 10.318 13.131 -7.862 459 HG23 THR 70 HG23 THR 70 10.160 12.235 -6.351 460 H ASP 71 HN ASP 71 5.073 11.138 -5.974 461 HA ASP 71 HA ASP 71 3.744 13.363 -7.315 462 HB2 ASP 71 HB2 ASP 71 2.890 10.597 -6.536 463 HB3 ASP 71 HB1 ASP 71 1.677 11.834 -6.845 464 H THR 72 HN THR 72 2.206 14.641 -6.381 465 HA THR 72 HA THR 72 1.757 14.401 -3.491 466 HB THR 72 HB THR 72 1.841 17.073 -3.676 467 HG1 THR 72 HG1 THR 72 4.067 16.458 -5.274 468 HG21 THR 72 HG21 THR 72 4.245 15.288 -3.274 469 HG22 THR 72 HG22 THR 72 3.080 15.776 -2.043 470 HG23 THR 72 HG23 THR 72 4.141 16.977 -2.779 471 HA PRO 73 HA PRO 73 -2.512 15.062 -4.469 472 HB2 PRO 73 HB2 PRO 73 -2.586 16.987 -2.207 473 HB3 PRO 73 HB1 PRO 73 -3.571 15.543 -2.487 474 HG2 PRO 73 HG2 PRO 73 -1.654 15.536 -0.649 475 HG3 PRO 73 HG1 PRO 73 -1.969 14.107 -1.652 476 HD2 PRO 73 HD2 PRO 73 0.239 16.099 -1.852 477 HD3 PRO 73 HD1 PRO 73 0.266 14.349 -2.140 478 H ALA 74 HN ALA 74 -0.684 17.977 -3.587 479 HA ALA 74 HA ALA 74 -2.416 19.808 -4.868 480 HB1 ALA 74 HB1 ALA 74 -0.580 21.416 -4.601 481 HB2 ALA 74 HB2 ALA 74 0.486 20.099 -4.115 482 HB3 ALA 74 HB3 ALA 74 -0.906 20.520 -3.116 483 H GLN 75 HN GLN 75 0.446 18.059 -5.969 484 HA GLN 75 HA GLN 75 0.664 19.507 -8.428 485 HB2 GLN 75 HB2 GLN 75 2.585 18.364 -7.349 486 HB3 GLN 75 HB1 GLN 75 1.831 16.814 -7.696 487 HG2 GLN 75 HG2 GLN 75 3.572 17.312 -9.301 488 HG3 GLN 75 HG1 GLN 75 1.996 17.260 -10.085 489 HE21 GLN 75 HE21 GLN 75 2.713 18.494 -11.810 490 HE22 GLN 75 HE22 GLN 75 3.005 20.192 -11.671 491 H LEU 76 HN LEU 76 -0.919 16.555 -7.389 492 HA LEU 76 HA LEU 76 -1.630 15.800 -10.084 493 HB2 LEU 76 HB2 LEU 76 -2.047 14.669 -7.367 494 HB3 LEU 76 HB1 LEU 76 -3.172 14.193 -8.626 495 HG LEU 76 HG LEU 76 -0.176 13.860 -8.781 496 HD11 LEU 76 HD11 LEU 76 -2.337 11.825 -8.244 497 HD12 LEU 76 HD12 LEU 76 -1.150 12.412 -7.078 498 HD13 LEU 76 HD13 LEU 76 -0.624 11.476 -8.478 499 HD21 LEU 76 HD21 LEU 76 -1.005 14.053 -10.981 500 HD22 LEU 76 HD22 LEU 76 -2.434 13.087 -10.612 501 HD23 LEU 76 HD23 LEU 76 -0.846 12.324 -10.679 502 H GLU 77 HN GLU 77 -2.726 18.171 -8.131 503 HA GLU 77 HA GLU 77 -4.591 19.460 -8.035 504 HB2 GLU 77 HB2 GLU 77 -4.988 18.101 -10.688 505 HB3 GLU 77 HB1 GLU 77 -6.145 19.273 -10.078 506 HG2 GLU 77 HG2 GLU 77 -3.243 19.953 -10.269 507 HG3 GLU 77 HG1 GLU 77 -4.297 20.058 -11.678 508 H MET 78 HN MET 78 -4.626 17.007 -6.638 509 HA MET 78 HA MET 78 -7.150 15.701 -6.993 510 HB2 MET 78 HB2 MET 78 -5.235 15.606 -4.658 511 HB3 MET 78 HB1 MET 78 -6.580 14.508 -4.933 512 HG2 MET 78 HG2 MET 78 -5.536 13.626 -6.898 513 HG3 MET 78 HG1 MET 78 -4.248 14.826 -6.801 514 HE1 MET 78 HE1 MET 78 -5.754 11.531 -5.402 515 HE2 MET 78 HE2 MET 78 -5.977 12.606 -4.018 516 HE3 MET 78 HE3 MET 78 -4.824 11.274 -3.923 517 H GLU 79 HN GLU 79 -8.774 15.568 -5.260 518 HA GLU 79 HA GLU 79 -8.962 18.017 -3.662 519 HB2 GLU 79 HB2 GLU 79 -10.914 17.055 -5.721 520 HB3 GLU 79 HB1 GLU 79 -11.502 17.923 -4.309 521 HG2 GLU 79 HG2 GLU 79 -9.366 18.981 -6.138 522 HG3 GLU 79 HG1 GLU 79 -11.084 19.316 -6.346 523 H ASP 80 HN ASP 80 -11.140 17.774 -2.305 524 HA ASP 80 HA ASP 80 -10.662 15.615 -0.529 525 HB2 ASP 80 HB2 ASP 80 -11.699 17.965 -0.074 526 HB3 ASP 80 HB1 ASP 80 -13.213 17.207 -0.555 527 H GLU 81 HN GLU 81 -11.852 13.778 -0.141 528 HA GLU 81 HA GLU 81 -13.259 12.039 -0.483 529 HB2 GLU 81 HB2 GLU 81 -14.706 14.090 -2.122 530 HB3 GLU 81 HB1 GLU 81 -15.195 12.403 -2.180 531 HG2 GLU 81 HG2 GLU 81 -15.036 14.088 0.305 532 HG3 GLU 81 HG1 GLU 81 -16.511 13.701 -0.581 533 H ASP 82 HN ASP 82 -10.903 12.834 -2.286 534 HA ASP 82 HA ASP 82 -11.464 11.633 -4.814 535 HB2 ASP 82 HB2 ASP 82 -9.361 13.124 -3.782 536 HB3 ASP 82 HB1 ASP 82 -8.655 11.529 -4.025 537 H THR 83 HN THR 83 -10.496 9.609 -5.588 538 HA THR 83 HA THR 83 -10.352 7.632 -3.406 539 HB THR 83 HB THR 83 -11.187 6.605 -6.025 540 HG1 THR 83 HG1 THR 83 -12.639 8.631 -4.684 541 HG21 THR 83 HG21 THR 83 -12.813 5.413 -4.667 542 HG22 THR 83 HG22 THR 83 -12.403 6.406 -3.268 543 HG23 THR 83 HG23 THR 83 -11.212 5.291 -3.941 544 H ILE 84 HN ILE 84 -8.714 6.229 -3.395 545 HA ILE 84 HA ILE 84 -6.929 6.115 -5.742 546 HB ILE 84 HB ILE 84 -6.109 6.029 -2.826 547 HG12 ILE 84 HG12 ILE 84 -5.423 8.061 -4.960 548 HG13 ILE 84 HG11 ILE 84 -6.676 8.290 -3.745 549 HG21 ILE 84 HG21 ILE 84 -3.808 5.920 -3.681 550 HG22 ILE 84 HG22 ILE 84 -4.433 5.803 -5.326 551 HG23 ILE 84 HG23 ILE 84 -4.758 4.514 -4.167 552 HD11 ILE 84 HD11 ILE 84 -5.020 8.203 -1.983 553 HD12 ILE 84 HD12 ILE 84 -4.592 9.434 -3.171 554 HD13 ILE 84 HD13 ILE 84 -3.753 7.882 -3.167 555 H ASP 85 HN ASP 85 -6.817 4.110 -6.561 556 HA ASP 85 HA ASP 85 -7.881 1.907 -4.969 557 HB2 ASP 85 HB2 ASP 85 -8.392 2.529 -7.522 558 HB3 ASP 85 HB1 ASP 85 -7.015 1.459 -7.774 559 H VAL 86 HN VAL 86 -6.776 0.046 -4.513 560 HA VAL 86 HA VAL 86 -3.862 0.166 -4.930 561 HB VAL 86 HB VAL 86 -5.229 -1.235 -2.632 562 HG11 VAL 86 HG11 VAL 86 -2.985 -1.223 -1.648 563 HG12 VAL 86 HG12 VAL 86 -2.353 -0.442 -3.096 564 HG13 VAL 86 HG13 VAL 86 -3.012 -2.077 -3.190 565 HG21 VAL 86 HG21 VAL 86 -4.547 0.643 -1.224 566 HG22 VAL 86 HG22 VAL 86 -5.672 1.165 -2.479 567 HG23 VAL 86 HG23 VAL 86 -3.949 1.498 -2.643 568 H PHE 87 HN PHE 87 -3.191 -1.281 -6.315 569 HA PHE 87 HA PHE 87 -4.641 -3.830 -6.570 570 HB2 PHE 87 HB2 PHE 87 -2.811 -2.390 -8.507 571 HB3 PHE 87 HB1 PHE 87 -3.470 -3.998 -8.786 572 HD1 PHE 87 HD1 PHE 87 -5.883 -4.298 -9.145 573 HD2 PHE 87 HD2 PHE 87 -4.123 -0.432 -8.827 574 HE1 PHE 87 HE1 PHE 87 -7.882 -3.299 -10.172 575 HE2 PHE 87 HE2 PHE 87 -6.123 0.569 -9.851 576 HZ PHE 87 HZ PHE 87 -8.007 -0.871 -10.527 577 H GLN 88 HN GLN 88 -3.022 -5.605 -7.444 578 HA GLN 88 HA GLN 88 -0.579 -5.500 -5.810 579 HB2 GLN 88 HB2 GLN 88 -2.617 -7.687 -6.045 580 HB3 GLN 88 HB1 GLN 88 -0.947 -8.069 -5.653 581 HG2 GLN 88 HG2 GLN 88 -1.542 -6.027 -3.909 582 HG3 GLN 88 HG1 GLN 88 -3.045 -6.945 -3.982 583 HE21 GLN 88 HE21 GLN 88 -2.780 -7.650 -1.838 584 HE22 GLN 88 HE22 GLN 88 -1.619 -8.858 -1.418 585 H GLN 89 HN GLN 89 1.249 -6.454 -6.671 586 HA GLN 89 HA GLN 89 1.335 -6.625 -9.536 587 HB2 GLN 89 HB2 GLN 89 3.165 -5.653 -8.161 588 HB3 GLN 89 HB1 GLN 89 3.483 -7.248 -7.498 589 HG2 GLN 89 HG2 GLN 89 5.098 -6.890 -9.173 590 HG3 GLN 89 HG1 GLN 89 3.930 -8.020 -9.845 591 HE21 GLN 89 HE21 GLN 89 4.481 -7.520 -11.934 592 HE22 GLN 89 HE22 GLN 89 4.036 -6.028 -12.682 593 H GLN 90 HN GLN 90 2.029 -8.446 -10.762 594 HA GLN 90 HA GLN 90 0.764 -10.864 -10.121 595 HB2 GLN 90 HB2 GLN 90 2.850 -10.155 -12.180 596 HB3 GLN 90 HB1 GLN 90 2.188 -11.777 -12.043 597 HG2 GLN 90 HG2 GLN 90 0.990 -10.695 -13.757 598 HG3 GLN 90 HG1 GLN 90 -0.084 -10.771 -12.363 599 HE21 GLN 90 HE21 GLN 90 -1.329 -9.070 -13.147 600 HE22 GLN 90 HE22 GLN 90 -0.777 -7.432 -13.106 601 H THR 91 HN THR 91 1.593 -12.903 -9.580 602 HA THR 91 HA THR 91 3.650 -12.876 -7.635 603 HB THR 91 HB THR 91 3.169 -15.540 -8.366 604 HG1 THR 91 HG1 THR 91 0.829 -15.504 -8.444 605 HG21 THR 91 HG21 THR 91 1.827 -13.812 -6.282 606 HG22 THR 91 HG22 THR 91 3.358 -14.664 -6.091 607 HG23 THR 91 HG23 THR 91 1.862 -15.575 -6.286 608 H GLY 92 HN GLY 92 3.422 -14.299 -10.892 609 HA2 GLY 92 HA2 GLY 92 5.922 -13.760 -11.804 610 HA3 GLY 92 HA1 GLY 92 6.150 -15.214 -10.841 611 H ASN 357 HT1 ASN 357 -18.901 -4.375 5.770 612 HA ASN 357 HA ASN 357 -18.266 -1.721 4.636 613 HB2 ASN 357 HB2 ASN 357 -20.437 -1.740 5.726 614 HB3 ASN 357 HB1 ASN 357 -19.777 -2.589 7.121 615 HD21 ASN 357 HD21 ASN 357 -20.107 -1.120 8.709 616 HD22 ASN 357 HD22 ASN 357 -19.443 0.477 8.721 617 H ASN 358 HN ASN 358 -16.017 -2.004 4.682 618 HA ASN 358 HA ASN 358 -14.917 -2.281 7.402 619 HB2 ASN 358 HB2 ASN 358 -14.269 -4.170 5.908 620 HB3 ASN 358 HB1 ASN 358 -13.550 -3.016 4.793 621 HD21 ASN 358 HD21 ASN 358 -11.552 -4.093 5.036 622 HD22 ASN 358 HD22 ASN 358 -10.573 -3.852 6.437 623 H ARG 359 HN ARG 359 -14.030 -0.498 8.142 624 HA ARG 359 HA ARG 359 -12.952 1.431 6.217 625 HB2 ARG 359 HB2 ARG 359 -13.769 3.277 7.577 626 HB3 ARG 359 HB1 ARG 359 -15.101 2.246 7.084 627 HG2 ARG 359 HG2 ARG 359 -15.282 1.301 9.244 628 HG3 ARG 359 HG1 ARG 359 -13.774 2.052 9.768 629 HD2 ARG 359 HD2 ARG 359 -14.823 4.271 9.417 630 HD3 ARG 359 HD1 ARG 359 -16.342 3.455 9.046 631 HE ARG 359 HE ARG 359 -15.149 2.772 11.592 632 HH11 ARG 359 HH11 ARG 359 -18.349 5.228 11.328 633 HH12 ARG 359 HH12 ARG 359 -17.386 4.851 9.851 634 HH21 ARG 359 HH21 ARG 359 -16.324 3.255 13.480 635 HH22 ARG 359 HH22 ARG 359 -17.757 4.349 13.351 636 H ASP 360 HN ASP 360 -10.978 2.142 6.607 637 HA ASP 360 HA ASP 360 -9.770 1.498 9.200 638 HB2 ASP 360 HB2 ASP 360 -8.898 0.088 7.302 639 HB3 ASP 360 HB1 ASP 360 -8.289 1.566 6.565 640 HA PRO 361 HA PRO 361 -8.874 5.868 8.906 641 HB2 PRO 361 HB2 PRO 361 -8.528 6.293 11.510 642 HB3 PRO 361 HB1 PRO 361 -10.096 5.728 10.905 643 HG2 PRO 361 HG2 PRO 361 -8.068 4.251 12.459 644 HG3 PRO 361 HG1 PRO 361 -9.801 3.926 12.278 645 HD2 PRO 361 HD2 PRO 361 -7.568 2.715 10.817 646 HD3 PRO 361 HD1 PRO 361 -9.300 2.289 10.802 647 H ILE 362 HN ILE 362 -7.007 6.758 8.207 648 HA ILE 362 HA ILE 362 -4.508 6.041 9.591 649 HB ILE 362 HB ILE 362 -4.767 6.785 6.675 650 HG12 ILE 362 HG12 ILE 362 -4.487 4.114 8.055 651 HG13 ILE 362 HG11 ILE 362 -5.739 4.611 6.918 652 HG21 ILE 362 HG21 ILE 362 -2.430 6.102 6.519 653 HG22 ILE 362 HG22 ILE 362 -2.395 5.772 8.251 654 HG23 ILE 362 HG23 ILE 362 -2.623 7.423 7.670 655 HD11 ILE 362 HD11 ILE 362 -2.858 3.988 6.334 656 HD12 ILE 362 HD12 ILE 362 -3.947 4.747 5.168 657 HD13 ILE 362 HD13 ILE 362 -4.296 3.131 5.780 658 H VAL 363 HN VAL 363 -3.357 7.625 10.397 659 HA VAL 363 HA VAL 363 -4.078 10.385 9.683 660 HB VAL 363 HB VAL 363 -2.993 9.463 12.348 661 HG11 VAL 363 HG11 VAL 363 -4.280 11.860 12.717 662 HG12 VAL 363 HG12 VAL 363 -3.504 12.072 11.151 663 HG13 VAL 363 HG13 VAL 363 -2.540 11.642 12.560 664 HG21 VAL 363 HG21 VAL 363 -5.247 9.823 13.239 665 HG22 VAL 363 HG22 VAL 363 -5.213 8.535 12.032 666 HG23 VAL 363 HG23 VAL 363 -5.834 10.130 11.600 667 H ILE 364 HN ILE 364 -2.494 11.655 9.057 668 HA ILE 364 HA ILE 364 0.252 10.594 9.084 669 HB ILE 364 HB ILE 364 -1.211 12.249 7.034 670 HG12 ILE 364 HG12 ILE 364 -1.343 10.137 6.190 671 HG13 ILE 364 HG11 ILE 364 0.268 10.539 5.603 672 HG21 ILE 364 HG21 ILE 364 1.772 11.930 7.231 673 HG22 ILE 364 HG22 ILE 364 0.867 13.413 7.532 674 HG23 ILE 364 HG23 ILE 364 0.896 12.708 5.914 675 HD11 ILE 364 HD11 ILE 364 -0.006 8.277 6.660 676 HD12 ILE 364 HD12 ILE 364 -0.194 9.110 8.190 677 HD13 ILE 364 HD13 ILE 364 1.303 9.272 7.285 678 H SEP 365 HN SEP 365 1.847 11.881 9.849 679 HA SEP 365 HA SEP 365 0.955 14.413 11.023 680 HB2 SEP 365 HB1 SEP 365 2.145 13.794 12.841 681 HB3 SEP 365 HB2 SEP 365 3.582 13.525 11.860 682 H ASP 366 HN ASP 366 1.689 16.183 10.249 683 HA ASP 366 HA ASP 366 3.989 16.182 8.422 684 HB2 ASP 366 HB2 ASP 366 1.706 16.417 7.355 685 HB3 ASP 366 HB1 ASP 366 1.526 17.924 8.241 686 H SEP 367 HN SEP 367 5.526 17.690 8.876 687 HA SEP 367 HA SEP 367 5.869 18.906 11.272 688 HB2 SEP 367 HB1 SEP 367 7.736 19.708 10.303 689 HB3 SEP 367 HB2 SEP 367 6.817 20.609 9.100 690 HA PRO 368 HA PRO 368 2.844 22.098 11.911 691 HB2 PRO 368 HB2 PRO 368 5.203 23.630 12.923 692 HB3 PRO 368 HB1 PRO 368 3.632 23.345 13.688 693 HG2 PRO 368 HG2 PRO 368 5.768 22.002 14.493 694 HG3 PRO 368 HG1 PRO 368 4.182 21.217 14.377 695 HD2 PRO 368 HD2 PRO 368 6.546 20.956 12.593 696 HD3 PRO 368 HD1 PRO 368 5.315 19.755 13.027 Start of MODEL 16 1 H ASP 16 HT1 ASP 16 -4.602 24.303 5.682 2 HA ASP 16 HA ASP 16 -5.559 22.475 7.087 3 HB2 ASP 16 HB2 ASP 16 -6.639 22.929 4.296 4 HB3 ASP 16 HB1 ASP 16 -7.562 22.282 5.651 5 H HIS 17 HN HIS 17 -6.859 20.383 6.504 6 HA HIS 17 HA HIS 17 -4.936 18.532 5.267 7 HB2 HIS 17 HB2 HIS 17 -6.914 18.249 7.497 8 HB3 HIS 17 HB1 HIS 17 -6.456 16.826 6.570 9 HD2 HIS 17 HD2 HIS 17 -3.981 15.788 7.108 10 HE1 HIS 17 HE1 HIS 17 -2.930 18.672 10.020 11 HE2 HIS 17 HE2 HIS 17 -2.420 16.370 9.099 12 H ILE 18 HN ILE 18 -5.703 16.867 3.905 13 HA ILE 18 HA ILE 18 -8.302 17.467 2.656 14 HB ILE 18 HB ILE 18 -6.426 17.942 1.156 15 HG12 ILE 18 HG12 ILE 18 -7.831 15.410 0.290 16 HG13 ILE 18 HG11 ILE 18 -8.557 17.015 0.246 17 HG21 ILE 18 HG21 ILE 18 -4.964 16.134 0.352 18 HG22 ILE 18 HG22 ILE 18 -5.672 15.054 1.553 19 HG23 ILE 18 HG23 ILE 18 -4.752 16.467 2.072 20 HD11 ILE 18 HD11 ILE 18 -6.106 16.153 -1.273 21 HD12 ILE 18 HD12 ILE 18 -6.856 17.748 -1.332 22 HD13 ILE 18 HD13 ILE 18 -7.730 16.341 -1.938 23 H ASN 19 HN ASN 19 -9.760 15.837 2.477 24 HA ASN 19 HA ASN 19 -9.114 13.363 3.861 25 HB2 ASN 19 HB2 ASN 19 -11.726 14.403 2.751 26 HB3 ASN 19 HB1 ASN 19 -11.549 12.881 3.618 27 HD21 ASN 19 HD21 ASN 19 -11.675 16.316 3.844 28 HD22 ASN 19 HD22 ASN 19 -11.726 16.413 5.575 29 H LEU 20 HN LEU 20 -7.932 12.075 2.575 30 HA LEU 20 HA LEU 20 -8.923 11.535 -0.133 31 HB2 LEU 20 HB2 LEU 20 -6.260 10.989 1.178 32 HB3 LEU 20 HB1 LEU 20 -6.706 10.343 -0.392 33 HG LEU 20 HG LEU 20 -6.480 13.277 0.303 34 HD11 LEU 20 HD11 LEU 20 -4.741 11.538 -1.440 35 HD12 LEU 20 HD12 LEU 20 -4.316 12.135 0.164 36 HD13 LEU 20 HD13 LEU 20 -4.549 13.267 -1.168 37 HD21 LEU 20 HD21 LEU 20 -6.736 13.575 -2.162 38 HD22 LEU 20 HD22 LEU 20 -8.191 13.000 -1.350 39 HD23 LEU 20 HD23 LEU 20 -7.193 11.875 -2.270 40 H LYS 21 HN LYS 21 -9.597 9.532 -0.743 41 HA LYS 21 HA LYS 21 -9.823 7.548 1.427 42 HB2 LYS 21 HB2 LYS 21 -11.675 7.770 -0.938 43 HB3 LYS 21 HB1 LYS 21 -11.936 6.899 0.569 44 HG2 LYS 21 HG2 LYS 21 -12.354 8.857 1.765 45 HG3 LYS 21 HG1 LYS 21 -11.614 9.878 0.530 46 HD2 LYS 21 HD2 LYS 21 -13.908 10.221 0.248 47 HD3 LYS 21 HD1 LYS 21 -13.500 9.043 -0.999 48 HE2 LYS 21 HE2 LYS 21 -14.424 7.263 0.251 49 HE3 LYS 21 HE1 LYS 21 -14.532 8.251 1.706 50 HZ1 LYS 21 HZ1 LYS 21 -16.100 9.695 0.301 51 HZ2 LYS 21 HZ2 LYS 21 -16.682 8.228 0.919 52 HZ3 LYS 21 HZ3 LYS 21 -16.221 8.334 -0.703 53 H VAL 22 HN VAL 22 -8.579 5.852 1.123 54 HA VAL 22 HA VAL 22 -7.866 5.051 -1.612 55 HB VAL 22 HB VAL 22 -6.664 4.158 1.018 56 HG11 VAL 22 HG11 VAL 22 -6.460 2.467 -0.707 57 HG12 VAL 22 HG12 VAL 22 -4.889 3.187 -0.351 58 HG13 VAL 22 HG13 VAL 22 -5.765 3.657 -1.808 59 HG21 VAL 22 HG21 VAL 22 -5.374 5.946 -1.023 60 HG22 VAL 22 HG22 VAL 22 -4.850 5.612 0.627 61 HG23 VAL 22 HG23 VAL 22 -6.298 6.576 0.340 62 H ALA 23 HN ALA 23 -8.666 3.205 -2.468 63 HA ALA 23 HA ALA 23 -10.335 1.543 -0.695 64 HB1 ALA 23 HB1 ALA 23 -11.673 0.990 -2.641 65 HB2 ALA 23 HB2 ALA 23 -10.598 1.937 -3.673 66 HB3 ALA 23 HB3 ALA 23 -11.570 2.741 -2.441 67 H GLY 24 HN GLY 24 -9.654 -0.424 -0.283 68 HA2 GLY 24 HA2 GLY 24 -7.496 -1.593 -1.849 69 HA3 GLY 24 HA1 GLY 24 -8.180 -2.236 -0.360 70 H GLN 25 HN GLN 25 -7.639 -3.916 -2.495 71 HA GLN 25 HA GLN 25 -9.925 -4.299 -4.155 72 HB2 GLN 25 HB2 GLN 25 -7.620 -6.148 -3.533 73 HB3 GLN 25 HB1 GLN 25 -8.844 -6.463 -4.754 74 HG2 GLN 25 HG2 GLN 25 -6.845 -4.220 -4.721 75 HG3 GLN 25 HG1 GLN 25 -6.900 -5.593 -5.827 76 HE21 GLN 25 HE21 GLN 25 -7.091 -2.578 -6.114 77 HE22 GLN 25 HE22 GLN 25 -8.486 -2.347 -7.117 78 H ASP 26 HN ASP 26 -9.346 -5.020 -0.921 79 HA ASP 26 HA ASP 26 -11.135 -7.317 -0.865 80 HB2 ASP 26 HB2 ASP 26 -10.518 -7.611 1.393 81 HB3 ASP 26 HB1 ASP 26 -9.037 -7.081 0.602 82 H GLY 27 HN GLY 27 -11.307 -3.949 -0.701 83 HA2 GLY 27 HA2 GLY 27 -13.467 -2.897 -0.807 84 HA3 GLY 27 HA1 GLY 27 -14.078 -4.138 0.276 85 H SER 28 HN SER 28 -11.034 -3.056 1.263 86 HA SER 28 HA SER 28 -12.185 -1.741 3.544 87 HB2 SER 28 HB2 SER 28 -9.760 -1.379 4.185 88 HB3 SER 28 HB1 SER 28 -10.239 -3.061 3.971 89 HG SER 28 HG SER 28 -9.140 -3.165 2.091 90 H VAL 29 HN VAL 29 -12.538 0.351 3.821 91 HA VAL 29 HA VAL 29 -11.290 2.210 1.924 92 HB VAL 29 HB VAL 29 -13.691 2.304 1.718 93 HG11 VAL 29 HG11 VAL 29 -14.303 1.359 3.881 94 HG12 VAL 29 HG12 VAL 29 -15.189 2.850 3.550 95 HG13 VAL 29 HG13 VAL 29 -13.829 2.862 4.674 96 HG21 VAL 29 HG21 VAL 29 -14.115 4.682 2.334 97 HG22 VAL 29 HG22 VAL 29 -12.589 4.434 1.488 98 HG23 VAL 29 HG23 VAL 29 -12.597 4.673 3.235 99 H VAL 30 HN VAL 30 -9.640 3.276 2.741 100 HA VAL 30 HA VAL 30 -9.466 3.581 5.646 101 HB VAL 30 HB VAL 30 -7.085 4.333 5.127 102 HG11 VAL 30 HG11 VAL 30 -6.802 2.296 5.955 103 HG12 VAL 30 HG12 VAL 30 -6.721 1.725 4.288 104 HG13 VAL 30 HG13 VAL 30 -8.254 1.689 5.154 105 HG21 VAL 30 HG21 VAL 30 -7.438 4.788 2.742 106 HG22 VAL 30 HG22 VAL 30 -7.712 3.066 2.471 107 HG23 VAL 30 HG23 VAL 30 -6.135 3.631 3.021 108 H GLN 31 HN GLN 31 -9.688 5.434 6.627 109 HA GLN 31 HA GLN 31 -10.205 7.836 5.083 110 HB2 GLN 31 HB2 GLN 31 -11.514 7.136 7.162 111 HB3 GLN 31 HB1 GLN 31 -10.093 7.584 8.097 112 HG2 GLN 31 HG2 GLN 31 -10.257 9.871 7.121 113 HG3 GLN 31 HG1 GLN 31 -11.781 9.388 6.378 114 HE21 GLN 31 HE21 GLN 31 -11.318 11.486 8.296 115 HE22 GLN 31 HE22 GLN 31 -12.283 11.111 9.682 116 H PHE 32 HN PHE 32 -8.322 8.559 4.233 117 HA PHE 32 HA PHE 32 -5.942 8.690 5.898 118 HB2 PHE 32 HB2 PHE 32 -6.501 8.615 3.040 119 HB3 PHE 32 HB1 PHE 32 -5.295 9.822 3.463 120 HD1 PHE 32 HD1 PHE 32 -5.974 6.338 2.993 121 HD2 PHE 32 HD2 PHE 32 -3.256 9.104 4.731 122 HE1 PHE 32 HE1 PHE 32 -4.261 4.576 3.100 123 HE2 PHE 32 HE2 PHE 32 -1.534 7.346 4.845 124 HZ PHE 32 HZ PHE 32 -2.039 5.080 4.027 125 H LYS 33 HN LYS 33 -5.767 10.400 7.189 126 HA LYS 33 HA LYS 33 -6.701 12.995 6.208 127 HB2 LYS 33 HB2 LYS 33 -7.311 12.165 8.539 128 HB3 LYS 33 HB1 LYS 33 -5.620 12.409 8.965 129 HG2 LYS 33 HG2 LYS 33 -5.760 14.714 8.734 130 HG3 LYS 33 HG1 LYS 33 -7.215 14.625 7.743 131 HD2 LYS 33 HD2 LYS 33 -8.345 13.662 9.837 132 HD3 LYS 33 HD1 LYS 33 -6.943 14.281 10.712 133 HE2 LYS 33 HE2 LYS 33 -7.388 16.522 9.782 134 HE3 LYS 33 HE1 LYS 33 -8.827 15.881 8.989 135 HZ1 LYS 33 HZ1 LYS 33 -9.430 16.966 11.023 136 HZ2 LYS 33 HZ2 LYS 33 -8.348 16.026 11.913 137 HZ3 LYS 33 HZ3 LYS 33 -9.700 15.306 11.195 138 H ILE 34 HN ILE 34 -5.148 13.498 4.756 139 HA ILE 34 HA ILE 34 -2.415 13.879 5.793 140 HB ILE 34 HB ILE 34 -2.437 12.056 4.194 141 HG12 ILE 34 HG12 ILE 34 -1.352 14.509 2.798 142 HG13 ILE 34 HG11 ILE 34 -0.525 13.655 4.092 143 HG21 ILE 34 HG21 ILE 34 -4.492 12.537 3.042 144 HG22 ILE 34 HG22 ILE 34 -3.183 12.377 1.872 145 HG23 ILE 34 HG23 ILE 34 -3.785 13.976 2.307 146 HD11 ILE 34 HD11 ILE 34 0.402 12.980 1.995 147 HD12 ILE 34 HD12 ILE 34 -1.197 12.598 1.360 148 HD13 ILE 34 HD13 ILE 34 -0.511 11.626 2.661 149 H LYS 35 HN LYS 35 -1.231 15.699 4.707 150 HA LYS 35 HA LYS 35 -3.019 17.945 4.286 151 HB2 LYS 35 HB2 LYS 35 -0.005 17.752 4.451 152 HB3 LYS 35 HB1 LYS 35 -0.855 19.251 4.115 153 HG2 LYS 35 HG2 LYS 35 -2.048 18.984 6.292 154 HG3 LYS 35 HG1 LYS 35 -0.998 17.606 6.631 155 HD2 LYS 35 HD2 LYS 35 0.951 19.185 6.227 156 HD3 LYS 35 HD1 LYS 35 -0.227 20.495 6.280 157 HE2 LYS 35 HE2 LYS 35 -0.735 20.109 8.528 158 HE3 LYS 35 HE1 LYS 35 -0.047 18.487 8.498 159 HZ1 LYS 35 HZ1 LYS 35 2.166 19.597 8.119 160 HZ2 LYS 35 HZ2 LYS 35 1.478 19.842 9.652 161 HZ3 LYS 35 HZ3 LYS 35 1.407 21.064 8.492 162 H ARG 36 HN ARG 36 -2.277 19.501 2.398 163 HA ARG 36 HA ARG 36 -2.543 17.888 0.006 164 HB2 ARG 36 HB2 ARG 36 -2.628 20.865 0.473 165 HB3 ARG 36 HB1 ARG 36 -2.736 20.145 -1.127 166 HG2 ARG 36 HG2 ARG 36 -4.723 18.869 -0.353 167 HG3 ARG 36 HG1 ARG 36 -4.648 19.765 1.164 168 HD2 ARG 36 HD2 ARG 36 -6.253 20.834 -0.242 169 HD3 ARG 36 HD1 ARG 36 -4.832 21.871 -0.156 170 HE ARG 36 HE ARG 36 -4.232 21.086 -2.373 171 HH11 ARG 36 HH11 ARG 36 -7.527 20.473 -1.283 172 HH12 ARG 36 HH12 ARG 36 -8.182 20.353 -2.962 173 HH21 ARG 36 HH21 ARG 36 -5.033 20.939 -4.518 174 HH22 ARG 36 HH22 ARG 36 -6.790 20.576 -4.760 175 H HIS 37 HN HIS 37 0.035 19.293 1.707 176 HA HIS 37 HA HIS 37 1.673 19.412 -0.721 177 HB2 HIS 37 HB2 HIS 37 3.079 20.928 0.319 178 HB3 HIS 37 HB1 HIS 37 1.522 21.348 1.019 179 HD2 HIS 37 HD2 HIS 37 1.218 19.810 3.639 180 HE1 HIS 37 HE1 HIS 37 5.337 20.443 4.374 181 HE2 HIS 37 HE2 HIS 37 3.172 19.552 5.337 182 H THR 38 HN THR 38 0.988 17.345 1.812 183 HA THR 38 HA THR 38 3.579 16.225 2.235 184 HB THR 38 HB THR 38 0.964 14.818 2.754 185 HG1 THR 38 HG1 THR 38 2.240 16.655 4.534 186 HG21 THR 38 HG21 THR 38 3.027 13.535 3.135 187 HG22 THR 38 HG22 THR 38 2.181 13.859 4.648 188 HG23 THR 38 HG23 THR 38 3.610 14.799 4.218 189 HA PRO 39 HA PRO 39 3.891 13.924 -1.588 190 HB2 PRO 39 HB2 PRO 39 5.637 12.170 0.062 191 HB3 PRO 39 HB1 PRO 39 5.977 12.974 -1.478 192 HG2 PRO 39 HG2 PRO 39 7.037 13.880 0.775 193 HG3 PRO 39 HG1 PRO 39 6.469 14.995 -0.484 194 HD2 PRO 39 HD2 PRO 39 5.187 14.276 2.110 195 HD3 PRO 39 HD1 PRO 39 5.240 15.838 1.266 196 H LEU 40 HN LEU 40 2.864 12.227 -2.465 197 HA LEU 40 HA LEU 40 1.065 10.702 -0.879 198 HB2 LEU 40 HB2 LEU 40 1.880 10.462 -3.772 199 HB3 LEU 40 HB1 LEU 40 0.618 9.495 -3.038 200 HG LEU 40 HG LEU 40 0.558 12.508 -3.173 201 HD11 LEU 40 HD11 LEU 40 -1.072 12.227 -4.972 202 HD12 LEU 40 HD12 LEU 40 -0.800 10.485 -4.947 203 HD13 LEU 40 HD13 LEU 40 0.503 11.574 -5.419 204 HD21 LEU 40 HD21 LEU 40 -1.538 10.457 -2.463 205 HD22 LEU 40 HD22 LEU 40 -1.832 12.186 -2.663 206 HD23 LEU 40 HD23 LEU 40 -0.778 11.614 -1.371 207 H SER 41 HN SER 41 4.325 10.331 -1.629 208 HA SER 41 HA SER 41 4.640 7.560 -1.794 209 HB2 SER 41 HB2 SER 41 6.786 8.890 -0.343 210 HB3 SER 41 HB1 SER 41 6.806 8.164 -1.953 211 HG SER 41 HG SER 41 7.074 10.247 -2.424 212 H LYS 42 HN LYS 42 4.490 9.743 0.969 213 HA LYS 42 HA LYS 42 5.007 7.802 2.971 214 HB2 LYS 42 HB2 LYS 42 5.230 10.291 3.232 215 HB3 LYS 42 HB1 LYS 42 3.478 10.399 3.234 216 HG2 LYS 42 HG2 LYS 42 3.370 9.089 5.276 217 HG3 LYS 42 HG1 LYS 42 5.125 8.890 5.256 218 HD2 LYS 42 HD2 LYS 42 5.387 11.335 5.422 219 HD3 LYS 42 HD1 LYS 42 3.628 11.499 5.483 220 HE2 LYS 42 HE2 LYS 42 4.853 11.593 7.688 221 HE3 LYS 42 HE1 LYS 42 3.505 10.467 7.590 222 HZ1 LYS 42 HZ1 LYS 42 5.305 9.414 8.699 223 HZ2 LYS 42 HZ2 LYS 42 6.392 9.816 7.460 224 HZ3 LYS 42 HZ3 LYS 42 5.158 8.697 7.172 225 H LEU 43 HN LEU 43 2.147 8.957 1.336 226 HA LEU 43 HA LEU 43 0.199 7.796 3.024 227 HB2 LEU 43 HB2 LEU 43 -0.181 9.579 1.293 228 HB3 LEU 43 HB1 LEU 43 0.002 8.347 0.062 229 HG LEU 43 HG LEU 43 -2.058 7.835 2.131 230 HD11 LEU 43 HD11 LEU 43 -2.369 10.219 1.708 231 HD12 LEU 43 HD12 LEU 43 -3.686 9.270 1.013 232 HD13 LEU 43 HD13 LEU 43 -2.413 9.907 -0.029 233 HD21 LEU 43 HD21 LEU 43 -1.956 7.539 -0.870 234 HD22 LEU 43 HD22 LEU 43 -3.285 7.018 0.165 235 HD23 LEU 43 HD23 LEU 43 -1.699 6.261 0.316 236 H MET 44 HN MET 44 1.889 6.664 0.131 237 HA MET 44 HA MET 44 0.509 4.228 -0.176 238 HB2 MET 44 HB2 MET 44 3.328 4.992 -0.961 239 HB3 MET 44 HB1 MET 44 2.532 3.509 -1.470 240 HG2 MET 44 HG2 MET 44 0.731 5.006 -2.459 241 HG3 MET 44 HG1 MET 44 1.861 6.334 -2.209 242 HE1 MET 44 HE1 MET 44 3.966 6.791 -3.663 243 HE2 MET 44 HE2 MET 44 4.779 5.536 -4.597 244 HE3 MET 44 HE3 MET 44 4.645 5.383 -2.845 245 H LYS 45 HN LYS 45 3.533 5.011 1.494 246 HA LYS 45 HA LYS 45 4.094 2.399 2.384 247 HB2 LYS 45 HB2 LYS 45 4.923 5.070 3.536 248 HB3 LYS 45 HB1 LYS 45 5.597 3.520 4.024 249 HG2 LYS 45 HG2 LYS 45 6.488 3.166 1.805 250 HG3 LYS 45 HG1 LYS 45 5.725 4.653 1.233 251 HD2 LYS 45 HD2 LYS 45 7.079 5.905 2.908 252 HD3 LYS 45 HD1 LYS 45 7.920 4.401 3.288 253 HE2 LYS 45 HE2 LYS 45 8.752 4.250 1.025 254 HE3 LYS 45 HE1 LYS 45 7.813 5.667 0.551 255 HZ1 LYS 45 HZ1 LYS 45 9.142 7.041 1.945 256 HZ2 LYS 45 HZ2 LYS 45 10.195 6.124 0.993 257 HZ3 LYS 45 HZ3 LYS 45 9.944 5.712 2.610 258 H ALA 46 HN ALA 46 2.232 5.034 3.811 259 HA ALA 46 HA ALA 46 1.874 3.972 6.369 260 HB1 ALA 46 HB1 ALA 46 1.304 6.270 5.785 261 HB2 ALA 46 HB2 ALA 46 -0.060 5.446 6.539 262 HB3 ALA 46 HB3 ALA 46 -0.035 5.693 4.794 263 H TYR 47 HN TYR 47 -0.219 3.632 3.483 264 HA TYR 47 HA TYR 47 -2.050 1.880 4.771 265 HB2 TYR 47 HB2 TYR 47 -2.695 3.119 2.759 266 HB3 TYR 47 HB1 TYR 47 -1.494 2.240 1.815 267 HD1 TYR 47 HD1 TYR 47 -2.235 0.420 0.573 268 HD2 TYR 47 HD2 TYR 47 -4.399 1.540 4.061 269 HE1 TYR 47 HE1 TYR 47 -3.890 -1.341 0.105 270 HE2 TYR 47 HE2 TYR 47 -6.060 -0.215 3.603 271 HH TYR 47 HH TYR 47 -6.877 -1.576 1.845 272 H CYS 48 HN CYS 48 0.923 1.432 3.001 273 HA CYS 48 HA CYS 48 0.772 -1.335 2.576 274 HB2 CYS 48 HB2 CYS 48 2.439 0.234 1.548 275 HB3 CYS 48 HB1 CYS 48 3.278 0.274 3.097 276 HG CYS 48 HG CYS 48 4.112 -2.314 3.078 277 H GLU 49 HN GLU 49 1.993 0.562 5.299 278 HA GLU 49 HA GLU 49 2.962 -1.614 6.821 279 HB2 GLU 49 HB2 GLU 49 1.995 1.115 7.697 280 HB3 GLU 49 HB1 GLU 49 2.833 -0.026 8.739 281 HG2 GLU 49 HG2 GLU 49 4.389 0.294 6.403 282 HG3 GLU 49 HG1 GLU 49 3.922 1.900 6.960 283 H ARG 50 HN ARG 50 -0.182 -0.110 6.497 284 HA ARG 50 HA ARG 50 -1.462 -1.340 8.694 285 HB2 ARG 50 HB2 ARG 50 -2.188 0.401 6.589 286 HB3 ARG 50 HB1 ARG 50 -3.256 -0.986 6.460 287 HG2 ARG 50 HG2 ARG 50 -4.410 0.519 7.807 288 HG3 ARG 50 HG1 ARG 50 -3.729 -0.635 8.949 289 HD2 ARG 50 HD2 ARG 50 -1.821 1.422 8.537 290 HD3 ARG 50 HD1 ARG 50 -3.382 2.182 8.837 291 HE ARG 50 HE ARG 50 -1.761 0.738 10.713 292 HH11 ARG 50 HH11 ARG 50 -5.108 1.578 9.910 293 HH12 ARG 50 HH12 ARG 50 -5.601 1.649 11.647 294 HH21 ARG 50 HH21 ARG 50 -4.111 1.163 13.305 295 HH22 ARG 50 HH22 ARG 50 -2.399 0.760 12.908 296 H GLN 51 HN GLN 51 -1.115 -2.238 5.292 297 HA GLN 51 HA GLN 51 -2.596 -4.663 5.475 298 HB2 GLN 51 HB2 GLN 51 -0.764 -3.430 3.454 299 HB3 GLN 51 HB1 GLN 51 -1.181 -5.130 3.295 300 HG2 GLN 51 HG2 GLN 51 -3.194 -2.904 3.474 301 HG3 GLN 51 HG1 GLN 51 -2.605 -3.597 1.963 302 HE21 GLN 51 HE21 GLN 51 -5.307 -3.541 2.930 303 HE22 GLN 51 HE22 GLN 51 -5.816 -5.185 3.107 304 H GLY 52 HN GLY 52 0.756 -3.781 5.934 305 HA2 GLY 52 HA2 GLY 52 2.370 -4.962 7.120 306 HA3 GLY 52 HA1 GLY 52 1.275 -6.337 7.195 307 H LEU 53 HN LEU 53 2.262 -4.613 4.296 308 HA LEU 53 HA LEU 53 3.763 -6.998 3.438 309 HB2 LEU 53 HB2 LEU 53 1.944 -5.319 1.697 310 HB3 LEU 53 HB1 LEU 53 2.879 -6.712 1.180 311 HG LEU 53 HG LEU 53 0.720 -6.904 3.274 312 HD11 LEU 53 HD11 LEU 53 -0.770 -7.686 1.519 313 HD12 LEU 53 HD12 LEU 53 0.464 -7.353 0.306 314 HD13 LEU 53 HD13 LEU 53 -0.258 -6.025 1.213 315 HD21 LEU 53 HD21 LEU 53 2.301 -8.736 3.251 316 HD22 LEU 53 HD22 LEU 53 2.086 -8.934 1.514 317 HD23 LEU 53 HD23 LEU 53 0.749 -9.276 2.614 318 H SER 54 HN SER 54 4.650 -6.071 1.009 319 HA SER 54 HA SER 54 6.429 -3.890 1.831 320 HB2 SER 54 HB2 SER 54 7.572 -5.927 1.126 321 HB3 SER 54 HB1 SER 54 6.683 -5.930 -0.397 322 HG SER 54 HG SER 54 8.986 -4.793 0.075 323 H MET 55 HN MET 55 6.635 -2.025 0.597 324 HA MET 55 HA MET 55 4.349 -1.205 -0.857 325 HB2 MET 55 HB2 MET 55 6.017 0.256 0.426 326 HB3 MET 55 HB1 MET 55 7.040 0.145 -0.999 327 HG2 MET 55 HG2 MET 55 5.057 1.035 -2.312 328 HG3 MET 55 HG1 MET 55 4.331 1.408 -0.749 329 HE1 MET 55 HE1 MET 55 7.034 2.274 -3.374 330 HE2 MET 55 HE2 MET 55 8.070 1.656 -2.086 331 HE3 MET 55 HE3 MET 55 8.112 3.368 -2.509 332 H ARG 56 HN ARG 56 7.130 -2.928 -1.746 333 HA ARG 56 HA ARG 56 7.069 -2.198 -4.540 334 HB2 ARG 56 HB2 ARG 56 9.152 -2.844 -3.248 335 HB3 ARG 56 HB1 ARG 56 8.550 -4.494 -3.255 336 HG2 ARG 56 HG2 ARG 56 8.617 -4.530 -5.684 337 HG3 ARG 56 HG1 ARG 56 9.169 -2.855 -5.701 338 HD2 ARG 56 HD2 ARG 56 11.276 -3.488 -5.413 339 HD3 ARG 56 HD1 ARG 56 10.842 -4.425 -3.983 340 HE ARG 56 HE ARG 56 10.457 -6.313 -5.389 341 HH11 ARG 56 HH11 ARG 56 12.591 -4.543 -8.353 342 HH12 ARG 56 HH12 ARG 56 11.973 -3.553 -6.980 343 HH21 ARG 56 HH21 ARG 56 12.175 -6.812 -8.417 344 HH22 ARG 56 HH22 ARG 56 11.234 -7.601 -7.094 345 H GLN 57 HN GLN 57 5.192 -4.111 -2.604 346 HA GLN 57 HA GLN 57 4.703 -6.189 -4.602 347 HB2 GLN 57 HB2 GLN 57 4.952 -6.777 -2.195 348 HB3 GLN 57 HB1 GLN 57 3.505 -5.840 -1.849 349 HG2 GLN 57 HG2 GLN 57 2.225 -7.347 -3.325 350 HG3 GLN 57 HG1 GLN 57 3.682 -8.315 -3.554 351 HE21 GLN 57 HE21 GLN 57 1.164 -9.149 -2.424 352 HE22 GLN 57 HE22 GLN 57 1.508 -9.683 -0.815 353 H ILE 58 HN ILE 58 3.007 -3.575 -2.914 354 HA ILE 58 HA ILE 58 0.623 -4.018 -4.525 355 HB ILE 58 HB ILE 58 -0.343 -2.148 -3.176 356 HG12 ILE 58 HG12 ILE 58 2.296 -2.359 -1.706 357 HG13 ILE 58 HG11 ILE 58 1.718 -0.964 -2.608 358 HG21 ILE 58 HG21 ILE 58 -0.771 -4.414 -2.534 359 HG22 ILE 58 HG22 ILE 58 -0.476 -3.470 -1.077 360 HG23 ILE 58 HG23 ILE 58 0.785 -4.526 -1.710 361 HD11 ILE 58 HD11 ILE 58 0.751 -2.042 0.007 362 HD12 ILE 58 HD12 ILE 58 -0.241 -0.959 -0.966 363 HD13 ILE 58 HD13 ILE 58 1.335 -0.424 -0.382 364 H ARG 59 HN ARG 59 -0.427 -2.192 -5.597 365 HA ARG 59 HA ARG 59 1.496 -0.225 -6.664 366 HB2 ARG 59 HB2 ARG 59 -0.609 -1.739 -8.230 367 HB3 ARG 59 HB1 ARG 59 0.384 -0.438 -8.868 368 HG2 ARG 59 HG2 ARG 59 1.463 -3.042 -7.810 369 HG3 ARG 59 HG1 ARG 59 1.158 -2.696 -9.514 370 HD2 ARG 59 HD2 ARG 59 2.770 -0.889 -9.467 371 HD3 ARG 59 HD1 ARG 59 3.022 -1.120 -7.740 372 HE ARG 59 HE ARG 59 3.952 -2.874 -9.890 373 HH11 ARG 59 HH11 ARG 59 5.135 -3.215 -6.038 374 HH12 ARG 59 HH12 ARG 59 3.777 -2.103 -6.457 375 HH21 ARG 59 HH21 ARG 59 5.675 -4.295 -9.379 376 HH22 ARG 59 HH22 ARG 59 6.183 -4.444 -7.656 377 H PHE 60 HN PHE 60 0.801 1.822 -6.653 378 HA PHE 60 HA PHE 60 -1.996 2.307 -5.872 379 HB2 PHE 60 HB2 PHE 60 0.571 3.723 -5.328 380 HB3 PHE 60 HB1 PHE 60 -0.896 4.687 -5.434 381 HD1 PHE 60 HD1 PHE 60 0.400 1.614 -3.768 382 HD2 PHE 60 HD2 PHE 60 -2.125 5.027 -3.530 383 HE1 PHE 60 HE1 PHE 60 -0.119 1.063 -1.429 384 HE2 PHE 60 HE2 PHE 60 -2.650 4.482 -1.189 385 HZ PHE 60 HZ PHE 60 -1.645 2.498 -0.137 386 H ARG 61 HN ARG 61 -3.331 3.345 -7.218 387 HA ARG 61 HA ARG 61 -2.154 4.771 -9.512 388 HB2 ARG 61 HB2 ARG 61 -4.482 2.849 -9.579 389 HB3 ARG 61 HB1 ARG 61 -4.049 3.920 -10.900 390 HG2 ARG 61 HG2 ARG 61 -1.744 2.765 -10.778 391 HG3 ARG 61 HG1 ARG 61 -2.604 1.514 -9.874 392 HD2 ARG 61 HD2 ARG 61 -4.255 1.432 -11.763 393 HD3 ARG 61 HD1 ARG 61 -3.167 2.483 -12.665 394 HE ARG 61 HE ARG 61 -2.171 -0.076 -11.636 395 HH11 ARG 61 HH11 ARG 61 -2.257 0.950 -15.555 396 HH12 ARG 61 HH12 ARG 61 -2.985 2.049 -14.325 397 HH21 ARG 61 HH21 ARG 61 -1.239 -1.484 -13.157 398 HH22 ARG 61 HH22 ARG 61 -1.271 -1.027 -14.900 399 H PHE 62 HN PHE 62 -3.122 6.599 -10.140 400 HA PHE 62 HA PHE 62 -5.486 7.474 -8.620 401 HB2 PHE 62 HB2 PHE 62 -3.612 8.885 -8.048 402 HB3 PHE 62 HB1 PHE 62 -3.178 9.086 -9.742 403 HD1 PHE 62 HD1 PHE 62 -6.148 9.628 -7.527 404 HD2 PHE 62 HD2 PHE 62 -3.744 11.081 -10.728 405 HE1 PHE 62 HE1 PHE 62 -7.533 11.656 -7.647 406 HE2 PHE 62 HE2 PHE 62 -5.126 13.108 -10.849 407 HZ PHE 62 HZ PHE 62 -7.023 13.398 -9.310 408 H ASP 63 HN ASP 63 -7.124 6.976 -9.942 409 HA ASP 63 HA ASP 63 -8.504 6.939 -11.736 410 HB2 ASP 63 HB2 ASP 63 -8.062 9.466 -11.401 411 HB3 ASP 63 HB1 ASP 63 -7.051 9.330 -12.838 412 H GLY 64 HN GLY 64 -6.462 5.176 -11.968 413 HA2 GLY 64 HA2 GLY 64 -5.906 3.727 -13.742 414 HA3 GLY 64 HA1 GLY 64 -6.140 5.051 -14.868 415 H GLN 65 HN GLN 65 -4.488 6.975 -13.761 416 HA GLN 65 HA GLN 65 -1.950 6.105 -14.734 417 HB2 GLN 65 HB2 GLN 65 -3.030 8.650 -13.582 418 HB3 GLN 65 HB1 GLN 65 -1.293 8.451 -13.768 419 HG2 GLN 65 HG2 GLN 65 -3.256 8.096 -16.016 420 HG3 GLN 65 HG1 GLN 65 -2.449 9.621 -15.649 421 HE21 GLN 65 HE21 GLN 65 -0.251 9.823 -16.026 422 HE22 GLN 65 HE22 GLN 65 0.626 8.705 -17.016 423 HA PRO 66 HA PRO 66 -0.482 4.460 -10.837 424 HB2 PRO 66 HB2 PRO 66 2.161 4.582 -12.142 425 HB3 PRO 66 HB1 PRO 66 1.291 3.187 -11.495 426 HG2 PRO 66 HG2 PRO 66 1.582 3.537 -14.126 427 HG3 PRO 66 HG1 PRO 66 0.108 2.831 -13.430 428 HD2 PRO 66 HD2 PRO 66 0.570 5.604 -14.447 429 HD3 PRO 66 HD1 PRO 66 -0.854 4.556 -14.620 430 H ILE 67 HN ILE 67 0.344 5.387 -9.040 431 HA ILE 67 HA ILE 67 1.226 8.144 -9.222 432 HB ILE 67 HB ILE 67 0.785 6.406 -6.785 433 HG12 ILE 67 HG12 ILE 67 -0.995 8.537 -7.990 434 HG13 ILE 67 HG11 ILE 67 -1.255 6.803 -8.152 435 HG21 ILE 67 HG21 ILE 67 1.137 9.395 -7.001 436 HG22 ILE 67 HG22 ILE 67 2.314 8.260 -6.340 437 HG23 ILE 67 HG23 ILE 67 0.769 8.504 -5.525 438 HD11 ILE 67 HD11 ILE 67 -1.157 8.218 -5.502 439 HD12 ILE 67 HD12 ILE 67 -1.702 6.574 -5.834 440 HD13 ILE 67 HD13 ILE 67 -2.642 7.949 -6.412 441 H ASN 68 HN ASN 68 3.248 8.918 -8.649 442 HA ASN 68 HA ASN 68 5.336 6.857 -8.429 443 HB2 ASN 68 HB2 ASN 68 5.356 8.610 -10.302 444 HB3 ASN 68 HB1 ASN 68 5.777 9.774 -9.051 445 HD21 ASN 68 HD21 ASN 68 7.753 10.185 -10.036 446 HD22 ASN 68 HD22 ASN 68 9.074 9.072 -9.944 447 H GLU 69 HN GLU 69 7.249 7.504 -7.063 448 HA GLU 69 HA GLU 69 6.303 8.121 -4.432 449 HB2 GLU 69 HB2 GLU 69 9.125 7.670 -5.409 450 HB3 GLU 69 HB1 GLU 69 8.614 7.701 -3.727 451 HG2 GLU 69 HG2 GLU 69 8.363 5.507 -3.879 452 HG3 GLU 69 HG1 GLU 69 6.957 5.820 -4.896 453 H THR 70 HN THR 70 6.777 10.243 -6.792 454 HA THR 70 HA THR 70 7.883 12.250 -4.941 455 HB THR 70 HB THR 70 8.587 13.401 -7.200 456 HG1 THR 70 HG1 THR 70 8.007 12.039 -8.765 457 HG21 THR 70 HG21 THR 70 10.143 12.749 -5.433 458 HG22 THR 70 HG22 THR 70 10.800 12.349 -7.020 459 HG23 THR 70 HG23 THR 70 10.113 11.080 -6.004 460 H ASP 71 HN ASP 71 5.079 11.372 -5.878 461 HA ASP 71 HA ASP 71 4.166 13.924 -7.005 462 HB2 ASP 71 HB2 ASP 71 2.771 11.252 -6.767 463 HB3 ASP 71 HB1 ASP 71 1.999 12.712 -7.373 464 H THR 72 HN THR 72 2.417 15.049 -6.098 465 HA THR 72 HA THR 72 1.798 14.413 -3.291 466 HB THR 72 HB THR 72 1.568 17.014 -3.107 467 HG1 THR 72 HG1 THR 72 3.428 17.859 -4.517 468 HG21 THR 72 HG21 THR 72 4.235 15.606 -3.194 469 HG22 THR 72 HG22 THR 72 3.179 15.809 -1.797 470 HG23 THR 72 HG23 THR 72 3.981 17.209 -2.506 471 HA PRO 73 HA PRO 73 -2.517 14.743 -4.240 472 HB2 PRO 73 HB2 PRO 73 -2.743 16.921 -2.223 473 HB3 PRO 73 HB1 PRO 73 -3.661 15.414 -2.357 474 HG2 PRO 73 HG2 PRO 73 -1.791 15.670 -0.499 475 HG3 PRO 73 HG1 PRO 73 -1.999 14.141 -1.376 476 HD2 PRO 73 HD2 PRO 73 0.099 16.233 -1.707 477 HD3 PRO 73 HD1 PRO 73 0.228 14.465 -1.839 478 H ALA 74 HN ALA 74 -1.142 17.961 -3.548 479 HA ALA 74 HA ALA 74 -2.916 19.360 -5.250 480 HB1 ALA 74 HB1 ALA 74 -1.481 21.268 -4.900 481 HB2 ALA 74 HB2 ALA 74 -0.195 20.228 -4.291 482 HB3 ALA 74 HB3 ALA 74 -1.694 20.402 -3.378 483 H GLN 75 HN GLN 75 0.161 17.788 -5.781 484 HA GLN 75 HA GLN 75 0.900 19.001 -8.202 485 HB2 GLN 75 HB2 GLN 75 2.257 17.418 -6.699 486 HB3 GLN 75 HB1 GLN 75 1.431 16.111 -7.535 487 HG2 GLN 75 HG2 GLN 75 3.640 16.557 -8.474 488 HG3 GLN 75 HG1 GLN 75 2.352 16.839 -9.647 489 HE21 GLN 75 HE21 GLN 75 2.013 18.871 -10.431 490 HE22 GLN 75 HE22 GLN 75 3.051 20.213 -10.090 491 H LEU 76 HN LEU 76 -1.145 16.220 -7.501 492 HA LEU 76 HA LEU 76 -1.698 15.845 -10.341 493 HB2 LEU 76 HB2 LEU 76 -2.599 14.261 -7.937 494 HB3 LEU 76 HB1 LEU 76 -2.900 13.829 -9.606 495 HG LEU 76 HG LEU 76 -0.157 14.028 -8.362 496 HD11 LEU 76 HD11 LEU 76 -1.814 11.599 -9.027 497 HD12 LEU 76 HD12 LEU 76 -1.443 12.187 -7.406 498 HD13 LEU 76 HD13 LEU 76 -0.150 11.590 -8.445 499 HD21 LEU 76 HD21 LEU 76 0.534 12.835 -10.420 500 HD22 LEU 76 HD22 LEU 76 -0.089 14.453 -10.733 501 HD23 LEU 76 HD23 LEU 76 -1.098 13.043 -11.052 502 H GLU 77 HN GLU 77 -2.702 18.052 -8.407 503 HA GLU 77 HA GLU 77 -4.567 19.295 -8.050 504 HB2 GLU 77 HB2 GLU 77 -5.290 18.032 -10.697 505 HB3 GLU 77 HB1 GLU 77 -6.176 19.367 -9.969 506 HG2 GLU 77 HG2 GLU 77 -3.234 19.578 -10.448 507 HG3 GLU 77 HG1 GLU 77 -4.384 19.859 -11.757 508 H MET 78 HN MET 78 -4.582 16.906 -6.655 509 HA MET 78 HA MET 78 -7.159 15.629 -6.952 510 HB2 MET 78 HB2 MET 78 -5.108 15.328 -4.748 511 HB3 MET 78 HB1 MET 78 -6.487 14.276 -5.036 512 HG2 MET 78 HG2 MET 78 -5.555 13.443 -7.039 513 HG3 MET 78 HG1 MET 78 -4.308 14.688 -7.052 514 HE1 MET 78 HE1 MET 78 -5.535 11.322 -5.555 515 HE2 MET 78 HE2 MET 78 -5.645 12.362 -4.137 516 HE3 MET 78 HE3 MET 78 -4.441 11.073 -4.194 517 H GLU 79 HN GLU 79 -8.905 15.844 -5.615 518 HA GLU 79 HA GLU 79 -8.766 18.069 -3.693 519 HB2 GLU 79 HB2 GLU 79 -11.005 17.246 -5.540 520 HB3 GLU 79 HB1 GLU 79 -11.247 18.331 -4.178 521 HG2 GLU 79 HG2 GLU 79 -9.507 18.788 -6.589 522 HG3 GLU 79 HG1 GLU 79 -10.982 19.644 -6.148 523 H ASP 80 HN ASP 80 -10.992 17.834 -2.302 524 HA ASP 80 HA ASP 80 -10.501 15.641 -0.588 525 HB2 ASP 80 HB2 ASP 80 -12.364 17.916 -0.679 526 HB3 ASP 80 HB1 ASP 80 -12.996 16.492 0.138 527 H GLU 81 HN GLU 81 -11.801 13.872 -0.081 528 HA GLU 81 HA GLU 81 -13.187 12.120 -0.397 529 HB2 GLU 81 HB2 GLU 81 -14.631 14.198 -1.988 530 HB3 GLU 81 HB1 GLU 81 -15.155 12.522 -2.068 531 HG2 GLU 81 HG2 GLU 81 -14.870 14.085 0.487 532 HG3 GLU 81 HG1 GLU 81 -16.377 13.899 -0.408 533 H ASP 82 HN ASP 82 -10.912 12.905 -2.374 534 HA ASP 82 HA ASP 82 -11.664 11.528 -4.778 535 HB2 ASP 82 HB2 ASP 82 -9.670 13.298 -4.207 536 HB3 ASP 82 HB1 ASP 82 -8.784 11.773 -4.208 537 H THR 83 HN THR 83 -11.030 9.466 -5.442 538 HA THR 83 HA THR 83 -10.274 7.704 -3.213 539 HB THR 83 HB THR 83 -11.737 6.923 -5.738 540 HG1 THR 83 HG1 THR 83 -12.722 8.418 -3.963 541 HG21 THR 83 HG21 THR 83 -12.327 4.912 -4.433 542 HG22 THR 83 HG22 THR 83 -11.308 5.482 -3.113 543 HG23 THR 83 HG23 THR 83 -10.585 5.061 -4.666 544 H ILE 84 HN ILE 84 -8.517 6.519 -3.310 545 HA ILE 84 HA ILE 84 -6.955 6.492 -5.807 546 HB ILE 84 HB ILE 84 -5.979 5.979 -2.986 547 HG12 ILE 84 HG12 ILE 84 -5.567 8.449 -4.684 548 HG13 ILE 84 HG11 ILE 84 -6.754 8.329 -3.388 549 HG21 ILE 84 HG21 ILE 84 -3.738 6.255 -3.998 550 HG22 ILE 84 HG22 ILE 84 -4.500 6.330 -5.588 551 HG23 ILE 84 HG23 ILE 84 -4.618 4.859 -4.620 552 HD11 ILE 84 HD11 ILE 84 -3.773 8.088 -3.087 553 HD12 ILE 84 HD12 ILE 84 -4.952 7.946 -1.785 554 HD13 ILE 84 HD13 ILE 84 -4.762 9.477 -2.639 555 H ASP 85 HN ASP 85 -6.538 4.565 -6.765 556 HA ASP 85 HA ASP 85 -7.761 2.192 -5.572 557 HB2 ASP 85 HB2 ASP 85 -6.660 2.594 -8.361 558 HB3 ASP 85 HB1 ASP 85 -7.566 1.193 -7.797 559 H VAL 86 HN VAL 86 -6.655 0.429 -4.938 560 HA VAL 86 HA VAL 86 -3.731 0.435 -5.333 561 HB VAL 86 HB VAL 86 -5.261 -0.598 -2.934 562 HG11 VAL 86 HG11 VAL 86 -2.296 -0.564 -3.498 563 HG12 VAL 86 HG12 VAL 86 -3.325 -1.991 -3.393 564 HG13 VAL 86 HG13 VAL 86 -3.035 -1.006 -1.959 565 HG21 VAL 86 HG21 VAL 86 -4.142 1.181 -1.706 566 HG22 VAL 86 HG22 VAL 86 -5.116 1.843 -3.022 567 HG23 VAL 86 HG23 VAL 86 -3.363 1.730 -3.190 568 H PHE 87 HN PHE 87 -2.988 -1.225 -6.439 569 HA PHE 87 HA PHE 87 -4.596 -3.696 -6.553 570 HB2 PHE 87 HB2 PHE 87 -2.747 -2.577 -8.676 571 HB3 PHE 87 HB1 PHE 87 -3.666 -4.072 -8.796 572 HD1 PHE 87 HD1 PHE 87 -6.150 -3.973 -8.919 573 HD2 PHE 87 HD2 PHE 87 -3.719 -0.492 -9.174 574 HE1 PHE 87 HE1 PHE 87 -8.033 -2.736 -9.905 575 HE2 PHE 87 HE2 PHE 87 -5.599 0.752 -10.159 576 HZ PHE 87 HZ PHE 87 -7.760 -0.369 -10.527 577 H GLN 88 HN GLN 88 -3.003 -5.547 -7.420 578 HA GLN 88 HA GLN 88 -0.530 -5.378 -5.830 579 HB2 GLN 88 HB2 GLN 88 -2.595 -7.535 -5.959 580 HB3 GLN 88 HB1 GLN 88 -0.913 -7.992 -5.718 581 HG2 GLN 88 HG2 GLN 88 -1.183 -6.019 -3.882 582 HG3 GLN 88 HG1 GLN 88 -2.808 -6.700 -3.889 583 HE21 GLN 88 HE21 GLN 88 -2.570 -7.507 -1.805 584 HE22 GLN 88 HE22 GLN 88 -1.578 -8.880 -1.453 585 H GLN 89 HN GLN 89 1.300 -6.321 -6.692 586 HA GLN 89 HA GLN 89 1.365 -6.497 -9.550 587 HB2 GLN 89 HB2 GLN 89 3.208 -5.576 -8.098 588 HB3 GLN 89 HB1 GLN 89 3.548 -7.224 -7.592 589 HG2 GLN 89 HG2 GLN 89 5.085 -6.500 -9.323 590 HG3 GLN 89 HG1 GLN 89 4.083 -7.832 -9.887 591 HE21 GLN 89 HE21 GLN 89 4.547 -7.254 -12.027 592 HE22 GLN 89 HE22 GLN 89 3.759 -5.913 -12.786 593 H GLN 90 HN GLN 90 1.875 -8.296 -10.811 594 HA GLN 90 HA GLN 90 0.696 -10.734 -9.947 595 HB2 GLN 90 HB2 GLN 90 2.282 -10.064 -12.431 596 HB3 GLN 90 HB1 GLN 90 1.455 -11.590 -12.172 597 HG2 GLN 90 HG2 GLN 90 -0.023 -10.384 -13.483 598 HG3 GLN 90 HG1 GLN 90 -0.653 -10.172 -11.850 599 HE21 GLN 90 HE21 GLN 90 -1.705 -8.270 -12.347 600 HE22 GLN 90 HE22 GLN 90 -0.865 -6.789 -12.646 601 H THR 91 HN THR 91 1.656 -12.750 -9.641 602 HA THR 91 HA THR 91 4.294 -12.630 -8.471 603 HB THR 91 HB THR 91 3.587 -15.245 -8.298 604 HG1 THR 91 HG1 THR 91 1.409 -15.446 -8.231 605 HG21 THR 91 HG21 THR 91 2.634 -12.995 -6.518 606 HG22 THR 91 HG22 THR 91 4.195 -13.812 -6.420 607 HG23 THR 91 HG23 THR 91 2.712 -14.697 -6.062 608 H GLY 92 HN GLY 92 2.743 -14.014 -11.308 609 HA2 GLY 92 HA2 GLY 92 5.363 -14.481 -12.476 610 HA3 GLY 92 HA1 GLY 92 4.349 -15.902 -12.269 611 H ASN 357 HT1 ASN 357 -19.828 -3.356 7.189 612 HA ASN 357 HA ASN 357 -18.609 -1.935 4.908 613 HB2 ASN 357 HB2 ASN 357 -20.422 -0.556 5.715 614 HB3 ASN 357 HB1 ASN 357 -19.987 -0.874 7.387 615 HD21 ASN 357 HD21 ASN 357 -19.646 1.188 8.025 616 HD22 ASN 357 HD22 ASN 357 -18.384 2.196 7.400 617 H ASN 358 HN ASN 358 -16.448 -1.827 5.125 618 HA ASN 358 HA ASN 358 -15.331 -2.231 7.832 619 HB2 ASN 358 HB2 ASN 358 -14.753 -4.174 6.611 620 HB3 ASN 358 HB1 ASN 358 -14.444 -3.263 5.139 621 HD21 ASN 358 HD21 ASN 358 -12.458 -4.129 4.815 622 HD22 ASN 358 HD22 ASN 358 -11.090 -3.764 5.803 623 H ARG 359 HN ARG 359 -14.279 -0.511 8.557 624 HA ARG 359 HA ARG 359 -13.068 1.287 6.588 625 HB2 ARG 359 HB2 ARG 359 -13.775 3.244 7.809 626 HB3 ARG 359 HB1 ARG 359 -15.176 2.270 7.393 627 HG2 ARG 359 HG2 ARG 359 -15.286 1.423 9.668 628 HG3 ARG 359 HG1 ARG 359 -13.841 2.347 10.087 629 HD2 ARG 359 HD2 ARG 359 -15.093 4.418 9.390 630 HD3 ARG 359 HD1 ARG 359 -16.540 3.417 9.285 631 HE ARG 359 HE ARG 359 -15.418 3.023 11.806 632 HH11 ARG 359 HH11 ARG 359 -17.546 6.447 11.386 633 HH12 ARG 359 HH12 ARG 359 -16.884 5.615 9.930 634 HH21 ARG 359 HH21 ARG 359 -16.242 4.052 13.676 635 HH22 ARG 359 HH22 ARG 359 -17.198 5.571 13.479 636 H ASP 360 HN ASP 360 -11.061 1.842 6.929 637 HA ASP 360 HA ASP 360 -9.878 1.271 9.563 638 HB2 ASP 360 HB2 ASP 360 -9.144 -0.242 7.613 639 HB3 ASP 360 HB1 ASP 360 -8.325 1.180 6.984 640 HA PRO 361 HA PRO 361 -8.755 5.560 8.970 641 HB2 PRO 361 HB2 PRO 361 -8.461 6.156 11.559 642 HB3 PRO 361 HB1 PRO 361 -10.041 5.695 10.910 643 HG2 PRO 361 HG2 PRO 361 -8.275 4.184 12.702 644 HG3 PRO 361 HG1 PRO 361 -10.003 3.964 12.382 645 HD2 PRO 361 HD2 PRO 361 -7.733 2.537 11.210 646 HD3 PRO 361 HD1 PRO 361 -9.473 2.176 11.108 647 H ILE 362 HN ILE 362 -6.907 6.410 8.352 648 HA ILE 362 HA ILE 362 -4.431 5.731 9.781 649 HB ILE 362 HB ILE 362 -4.619 6.291 6.824 650 HG12 ILE 362 HG12 ILE 362 -4.501 3.687 8.357 651 HG13 ILE 362 HG11 ILE 362 -5.736 4.203 7.220 652 HG21 ILE 362 HG21 ILE 362 -2.324 5.477 6.759 653 HG22 ILE 362 HG22 ILE 362 -2.348 5.229 8.505 654 HG23 ILE 362 HG23 ILE 362 -2.464 6.861 7.845 655 HD11 ILE 362 HD11 ILE 362 -4.525 3.576 5.420 656 HD12 ILE 362 HD12 ILE 362 -3.822 2.469 6.597 657 HD13 ILE 362 HD13 ILE 362 -2.983 3.963 6.180 658 H VAL 363 HN VAL 363 -3.141 7.318 10.364 659 HA VAL 363 HA VAL 363 -3.896 10.067 9.621 660 HB VAL 363 HB VAL 363 -2.590 9.208 12.219 661 HG11 VAL 363 HG11 VAL 363 -3.132 11.453 12.979 662 HG12 VAL 363 HG12 VAL 363 -3.845 11.828 11.410 663 HG13 VAL 363 HG13 VAL 363 -2.112 11.512 11.542 664 HG21 VAL 363 HG21 VAL 363 -4.799 9.711 13.255 665 HG22 VAL 363 HG22 VAL 363 -4.799 8.289 12.212 666 HG23 VAL 363 HG23 VAL 363 -5.482 9.806 11.628 667 H ILE 364 HN ILE 364 -2.335 11.409 9.005 668 HA ILE 364 HA ILE 364 0.290 10.205 8.509 669 HB ILE 364 HB ILE 364 -1.518 11.449 6.726 670 HG12 ILE 364 HG12 ILE 364 0.247 10.989 5.062 671 HG13 ILE 364 HG11 ILE 364 1.380 10.669 6.370 672 HG21 ILE 364 HG21 ILE 364 0.159 13.147 5.744 673 HG22 ILE 364 HG22 ILE 364 0.830 13.186 7.371 674 HG23 ILE 364 HG23 ILE 364 -0.853 13.640 7.102 675 HD11 ILE 364 HD11 ILE 364 0.013 8.782 7.093 676 HD12 ILE 364 HD12 ILE 364 0.505 8.614 5.407 677 HD13 ILE 364 HD13 ILE 364 -1.137 9.122 5.800 678 H SEP 365 HN SEP 365 2.101 11.293 9.052 679 HA SEP 365 HA SEP 365 1.692 13.554 10.862 680 HB2 SEP 365 HB1 SEP 365 2.943 12.149 12.152 681 HB3 SEP 365 HB2 SEP 365 4.305 12.627 11.139 682 H ASP 366 HN ASP 366 2.254 15.436 10.203 683 HA ASP 366 HA ASP 366 4.275 15.772 8.107 684 HB2 ASP 366 HB2 ASP 366 1.880 16.044 7.322 685 HB3 ASP 366 HB1 ASP 366 1.786 17.445 8.386 686 H SEP 367 HN SEP 367 5.782 17.303 8.514 687 HA SEP 367 HA SEP 367 6.199 18.362 11.042 688 HB2 SEP 367 HB1 SEP 367 8.042 19.437 10.078 689 HB3 SEP 367 HB2 SEP 367 7.199 19.727 8.554 690 HA PRO 368 HA PRO 368 3.771 21.984 11.827 691 HB2 PRO 368 HB2 PRO 368 6.262 23.618 11.652 692 HB3 PRO 368 HB1 PRO 368 5.028 23.576 12.917 693 HG2 PRO 368 HG2 PRO 368 7.367 22.366 13.273 694 HG3 PRO 368 HG1 PRO 368 5.857 21.664 13.884 695 HD2 PRO 368 HD2 PRO 368 7.522 20.822 11.583 696 HD3 PRO 368 HD1 PRO 368 6.476 19.856 12.638 Start of MODEL 17 1 H ASP 16 HT1 ASP 16 -4.869 23.349 4.262 2 HA ASP 16 HA ASP 16 -5.890 22.607 6.930 3 HB2 ASP 16 HB2 ASP 16 -7.342 24.020 5.403 4 HB3 ASP 16 HB1 ASP 16 -7.330 22.671 4.268 5 H HIS 17 HN HIS 17 -7.061 20.453 6.795 6 HA HIS 17 HA HIS 17 -5.230 18.521 5.604 7 HB2 HIS 17 HB2 HIS 17 -7.290 18.448 7.757 8 HB3 HIS 17 HB1 HIS 17 -6.952 16.951 6.896 9 HD2 HIS 17 HD2 HIS 17 -4.130 16.211 7.003 10 HE1 HIS 17 HE1 HIS 17 -3.658 18.209 10.702 11 HE2 HIS 17 HE2 HIS 17 -2.743 16.393 9.191 12 H ILE 18 HN ILE 18 -5.889 16.851 4.228 13 HA ILE 18 HA ILE 18 -8.481 17.306 2.906 14 HB ILE 18 HB ILE 18 -6.678 18.024 1.447 15 HG12 ILE 18 HG12 ILE 18 -7.794 15.366 0.530 16 HG13 ILE 18 HG11 ILE 18 -8.624 16.918 0.420 17 HG21 ILE 18 HG21 ILE 18 -4.975 16.456 0.636 18 HG22 ILE 18 HG22 ILE 18 -5.567 15.244 1.769 19 HG23 ILE 18 HG23 ILE 18 -4.846 16.738 2.371 20 HD11 ILE 18 HD11 ILE 18 -6.122 16.083 -1.030 21 HD12 ILE 18 HD12 ILE 18 -6.775 17.721 -1.044 22 HD13 ILE 18 HD13 ILE 18 -7.714 16.391 -1.723 23 H ASN 19 HN ASN 19 -9.757 15.573 2.561 24 HA ASN 19 HA ASN 19 -8.935 13.071 3.834 25 HB2 ASN 19 HB2 ASN 19 -11.634 13.954 2.775 26 HB3 ASN 19 HB1 ASN 19 -11.323 12.456 3.649 27 HD21 ASN 19 HD21 ASN 19 -11.561 15.923 3.873 28 HD22 ASN 19 HD22 ASN 19 -11.678 15.992 5.599 29 H LEU 20 HN LEU 20 -8.074 11.517 2.614 30 HA LEU 20 HA LEU 20 -8.917 11.379 -0.204 31 HB2 LEU 20 HB2 LEU 20 -6.351 10.504 1.111 32 HB3 LEU 20 HB1 LEU 20 -6.781 10.079 -0.534 33 HG LEU 20 HG LEU 20 -6.256 12.845 0.549 34 HD11 LEU 20 HD11 LEU 20 -4.858 11.230 -1.574 35 HD12 LEU 20 HD12 LEU 20 -4.273 11.491 0.072 36 HD13 LEU 20 HD13 LEU 20 -4.427 12.855 -1.038 37 HD21 LEU 20 HD21 LEU 20 -6.590 13.556 -1.831 38 HD22 LEU 20 HD22 LEU 20 -8.059 13.087 -0.978 39 HD23 LEU 20 HD23 LEU 20 -7.315 11.977 -2.130 40 H LYS 21 HN LYS 21 -10.091 9.711 -0.817 41 HA LYS 21 HA LYS 21 -10.505 7.514 1.060 42 HB2 LYS 21 HB2 LYS 21 -11.954 8.188 -1.509 43 HB3 LYS 21 HB1 LYS 21 -12.410 6.923 -0.374 44 HG2 LYS 21 HG2 LYS 21 -12.974 8.528 1.298 45 HG3 LYS 21 HG1 LYS 21 -12.294 9.846 0.341 46 HD2 LYS 21 HD2 LYS 21 -14.004 9.491 -1.371 47 HD3 LYS 21 HD1 LYS 21 -14.671 8.154 -0.434 48 HE2 LYS 21 HE2 LYS 21 -15.260 9.648 1.367 49 HE3 LYS 21 HE1 LYS 21 -14.477 10.995 0.546 50 HZ1 LYS 21 HZ1 LYS 21 -16.752 11.230 0.119 51 HZ2 LYS 21 HZ2 LYS 21 -16.952 9.581 -0.228 52 HZ3 LYS 21 HZ3 LYS 21 -16.114 10.573 -1.312 53 H VAL 22 HN VAL 22 -9.082 5.931 0.877 54 HA VAL 22 HA VAL 22 -8.325 5.021 -1.821 55 HB VAL 22 HB VAL 22 -6.819 4.345 0.704 56 HG11 VAL 22 HG11 VAL 22 -6.314 2.933 -1.169 57 HG12 VAL 22 HG12 VAL 22 -4.950 4.016 -0.886 58 HG13 VAL 22 HG13 VAL 22 -6.069 4.334 -2.212 59 HG21 VAL 22 HG21 VAL 22 -5.244 6.166 0.139 60 HG22 VAL 22 HG22 VAL 22 -6.843 6.759 0.592 61 HG23 VAL 22 HG23 VAL 22 -6.363 6.715 -1.104 62 H ALA 23 HN ALA 23 -8.720 2.903 -2.373 63 HA ALA 23 HA ALA 23 -9.662 1.087 -0.280 64 HB1 ALA 23 HB1 ALA 23 -11.637 0.453 -1.581 65 HB2 ALA 23 HB2 ALA 23 -11.259 1.704 -2.764 66 HB3 ALA 23 HB3 ALA 23 -11.683 2.152 -1.111 67 H GLY 24 HN GLY 24 -9.035 -0.955 -0.561 68 HA2 GLY 24 HA2 GLY 24 -7.479 -1.568 -2.961 69 HA3 GLY 24 HA1 GLY 24 -7.464 -2.476 -1.453 70 H GLN 25 HN GLN 25 -7.620 -4.107 -3.424 71 HA GLN 25 HA GLN 25 -10.326 -4.506 -4.373 72 HB2 GLN 25 HB2 GLN 25 -8.115 -6.516 -4.685 73 HB3 GLN 25 HB1 GLN 25 -9.471 -6.194 -5.756 74 HG2 GLN 25 HG2 GLN 25 -7.047 -4.458 -5.337 75 HG3 GLN 25 HG1 GLN 25 -7.428 -5.420 -6.761 76 HE21 GLN 25 HE21 GLN 25 -7.013 -2.495 -6.243 77 HE22 GLN 25 HE22 GLN 25 -8.385 -1.717 -6.967 78 H ASP 26 HN ASP 26 -8.960 -4.969 -1.516 79 HA ASP 26 HA ASP 26 -10.013 -7.615 -0.928 80 HB2 ASP 26 HB2 ASP 26 -8.969 -7.336 1.249 81 HB3 ASP 26 HB1 ASP 26 -7.818 -6.896 -0.005 82 H GLY 27 HN GLY 27 -10.864 -4.294 -0.669 83 HA2 GLY 27 HA2 GLY 27 -13.192 -3.716 -0.375 84 HA3 GLY 27 HA1 GLY 27 -13.334 -5.060 0.747 85 H SER 28 HN SER 28 -10.438 -3.379 1.195 86 HA SER 28 HA SER 28 -11.428 -2.309 3.694 87 HB2 SER 28 HB2 SER 28 -9.036 -1.692 4.081 88 HB3 SER 28 HB1 SER 28 -9.270 -3.405 3.740 89 HG SER 28 HG SER 28 -8.442 -3.139 1.717 90 H VAL 29 HN VAL 29 -12.097 -0.302 4.011 91 HA VAL 29 HA VAL 29 -11.440 1.740 2.000 92 HB VAL 29 HB VAL 29 -13.721 1.592 3.986 93 HG11 VAL 29 HG11 VAL 29 -13.126 3.883 3.913 94 HG12 VAL 29 HG12 VAL 29 -14.511 3.697 2.837 95 HG13 VAL 29 HG13 VAL 29 -12.887 3.841 2.166 96 HG21 VAL 29 HG21 VAL 29 -15.140 1.550 1.995 97 HG22 VAL 29 HG22 VAL 29 -14.010 0.195 2.006 98 HG23 VAL 29 HG23 VAL 29 -13.706 1.587 0.967 99 H VAL 30 HN VAL 30 -9.750 2.939 2.617 100 HA VAL 30 HA VAL 30 -9.434 3.484 5.492 101 HB VAL 30 HB VAL 30 -7.075 4.149 4.875 102 HG11 VAL 30 HG11 VAL 30 -6.945 2.161 5.901 103 HG12 VAL 30 HG12 VAL 30 -6.565 1.571 4.279 104 HG13 VAL 30 HG13 VAL 30 -8.211 1.441 4.900 105 HG21 VAL 30 HG21 VAL 30 -7.389 4.487 2.492 106 HG22 VAL 30 HG22 VAL 30 -7.771 2.779 2.281 107 HG23 VAL 30 HG23 VAL 30 -6.153 3.265 2.788 108 H GLN 31 HN GLN 31 -9.685 5.460 6.239 109 HA GLN 31 HA GLN 31 -10.083 7.646 4.340 110 HB2 GLN 31 HB2 GLN 31 -11.704 7.196 6.262 111 HB3 GLN 31 HB1 GLN 31 -10.432 7.766 7.341 112 HG2 GLN 31 HG2 GLN 31 -10.410 9.908 6.067 113 HG3 GLN 31 HG1 GLN 31 -11.807 9.327 5.166 114 HE21 GLN 31 HE21 GLN 31 -11.598 11.664 6.838 115 HE22 GLN 31 HE22 GLN 31 -12.780 11.480 8.091 116 H PHE 32 HN PHE 32 -8.106 8.282 3.700 117 HA PHE 32 HA PHE 32 -5.914 8.491 5.550 118 HB2 PHE 32 HB2 PHE 32 -6.288 8.579 2.659 119 HB3 PHE 32 HB1 PHE 32 -5.104 9.746 3.235 120 HD1 PHE 32 HD1 PHE 32 -5.837 6.261 2.639 121 HD2 PHE 32 HD2 PHE 32 -3.112 8.971 4.460 122 HE1 PHE 32 HE1 PHE 32 -4.152 4.474 2.764 123 HE2 PHE 32 HE2 PHE 32 -1.422 7.192 4.592 124 HZ PHE 32 HZ PHE 32 -1.940 4.940 3.744 125 H LYS 33 HN LYS 33 -5.804 10.118 6.927 126 HA LYS 33 HA LYS 33 -6.767 12.755 6.129 127 HB2 LYS 33 HB2 LYS 33 -7.293 11.766 8.418 128 HB3 LYS 33 HB1 LYS 33 -5.589 11.976 8.803 129 HG2 LYS 33 HG2 LYS 33 -5.871 14.411 8.238 130 HG3 LYS 33 HG1 LYS 33 -7.607 14.112 8.177 131 HD2 LYS 33 HD2 LYS 33 -7.541 13.324 10.499 132 HD3 LYS 33 HD1 LYS 33 -5.810 13.658 10.554 133 HE2 LYS 33 HE2 LYS 33 -6.275 16.026 10.069 134 HE3 LYS 33 HE1 LYS 33 -8.002 15.671 10.090 135 HZ1 LYS 33 HZ1 LYS 33 -7.242 16.598 12.192 136 HZ2 LYS 33 HZ2 LYS 33 -6.148 15.323 12.384 137 HZ3 LYS 33 HZ3 LYS 33 -7.812 15.020 12.401 138 H ILE 34 HN ILE 34 -5.264 13.431 4.686 139 HA ILE 34 HA ILE 34 -2.505 13.706 5.681 140 HB ILE 34 HB ILE 34 -2.735 12.066 3.833 141 HG12 ILE 34 HG12 ILE 34 -1.309 14.488 2.746 142 HG13 ILE 34 HG11 ILE 34 -0.679 13.573 4.107 143 HG21 ILE 34 HG21 ILE 34 -3.326 12.801 1.589 144 HG22 ILE 34 HG22 ILE 34 -3.676 14.416 2.203 145 HG23 ILE 34 HG23 ILE 34 -4.658 13.045 2.718 146 HD11 ILE 34 HD11 ILE 34 0.380 12.874 2.057 147 HD12 ILE 34 HD12 ILE 34 -1.191 12.524 1.337 148 HD13 ILE 34 HD13 ILE 34 -0.612 11.564 2.698 149 H LYS 35 HN LYS 35 -1.342 15.598 4.528 150 HA LYS 35 HA LYS 35 -3.118 17.912 4.572 151 HB2 LYS 35 HB2 LYS 35 -0.105 17.667 4.486 152 HB3 LYS 35 HB1 LYS 35 -0.954 19.205 4.414 153 HG2 LYS 35 HG2 LYS 35 -1.697 17.476 6.669 154 HG3 LYS 35 HG1 LYS 35 -0.032 18.058 6.680 155 HD2 LYS 35 HD2 LYS 35 -0.998 20.372 6.273 156 HD3 LYS 35 HD1 LYS 35 -2.574 19.672 6.647 157 HE2 LYS 35 HE2 LYS 35 -1.856 20.548 8.687 158 HE3 LYS 35 HE1 LYS 35 -1.470 18.832 8.803 159 HZ1 LYS 35 HZ1 LYS 35 0.828 19.538 7.960 160 HZ2 LYS 35 HZ2 LYS 35 0.429 19.896 9.566 161 HZ3 LYS 35 HZ3 LYS 35 0.365 21.110 8.394 162 H ARG 36 HN ARG 36 -2.339 19.685 2.854 163 HA ARG 36 HA ARG 36 -2.705 18.360 0.278 164 HB2 ARG 36 HB2 ARG 36 -2.839 21.303 0.957 165 HB3 ARG 36 HB1 ARG 36 -3.278 20.577 -0.583 166 HG2 ARG 36 HG2 ARG 36 -4.949 19.190 0.803 167 HG3 ARG 36 HG1 ARG 36 -4.685 20.407 2.051 168 HD2 ARG 36 HD2 ARG 36 -6.602 21.053 0.789 169 HD3 ARG 36 HD1 ARG 36 -5.289 22.151 0.372 170 HE ARG 36 HE ARG 36 -5.000 20.572 -1.627 171 HH11 ARG 36 HH11 ARG 36 -8.086 21.350 -0.101 172 HH12 ARG 36 HH12 ARG 36 -9.019 21.065 -1.617 173 HH21 ARG 36 HH21 ARG 36 -6.173 20.184 -3.544 174 HH22 ARG 36 HH22 ARG 36 -7.964 20.439 -3.529 175 H HIS 37 HN HIS 37 -0.084 18.583 1.800 176 HA HIS 37 HA HIS 37 1.474 19.410 -0.524 177 HB2 HIS 37 HB2 HIS 37 2.879 20.894 0.581 178 HB3 HIS 37 HB1 HIS 37 1.318 21.264 1.296 179 HD2 HIS 37 HD2 HIS 37 0.972 19.965 3.904 180 HE1 HIS 37 HE1 HIS 37 5.145 20.001 4.574 181 HE2 HIS 37 HE2 HIS 37 2.883 19.436 5.573 182 H THR 38 HN THR 38 1.017 17.372 2.196 183 HA THR 38 HA THR 38 3.585 16.255 2.415 184 HB THR 38 HB THR 38 1.130 14.627 2.930 185 HG1 THR 38 HG1 THR 38 2.012 16.618 4.764 186 HG21 THR 38 HG21 THR 38 2.536 14.271 5.091 187 HG22 THR 38 HG22 THR 38 3.855 14.946 4.134 188 HG23 THR 38 HG23 THR 38 3.036 13.478 3.598 189 HA PRO 39 HA PRO 39 3.924 14.162 -1.507 190 HB2 PRO 39 HB2 PRO 39 5.729 12.431 0.117 191 HB3 PRO 39 HB1 PRO 39 6.027 13.227 -1.435 192 HG2 PRO 39 HG2 PRO 39 7.093 14.209 0.778 193 HG3 PRO 39 HG1 PRO 39 6.437 15.288 -0.471 194 HD2 PRO 39 HD2 PRO 39 5.268 14.528 2.164 195 HD3 PRO 39 HD1 PRO 39 5.207 16.078 1.303 196 H LEU 40 HN LEU 40 2.993 12.441 -2.446 197 HA LEU 40 HA LEU 40 1.163 10.875 -0.951 198 HB2 LEU 40 HB2 LEU 40 2.085 10.788 -3.808 199 HB3 LEU 40 HB1 LEU 40 0.937 9.625 -3.176 200 HG LEU 40 HG LEU 40 0.515 12.613 -3.192 201 HD11 LEU 40 HD11 LEU 40 -1.197 12.068 -4.933 202 HD12 LEU 40 HD12 LEU 40 -0.498 10.454 -5.026 203 HD13 LEU 40 HD13 LEU 40 0.473 11.859 -5.453 204 HD21 LEU 40 HD21 LEU 40 -1.283 10.310 -2.460 205 HD22 LEU 40 HD22 LEU 40 -1.830 11.973 -2.683 206 HD23 LEU 40 HD23 LEU 40 -0.693 11.583 -1.391 207 H SER 41 HN SER 41 4.451 10.551 -1.413 208 HA SER 41 HA SER 41 4.815 7.784 -1.611 209 HB2 SER 41 HB2 SER 41 6.794 9.085 0.068 210 HB3 SER 41 HB1 SER 41 6.976 8.409 -1.554 211 HG SER 41 HG SER 41 6.892 10.352 -2.332 212 H LYS 42 HN LYS 42 4.288 9.922 1.141 213 HA LYS 42 HA LYS 42 4.698 7.970 3.160 214 HB2 LYS 42 HB2 LYS 42 3.567 10.715 3.034 215 HB3 LYS 42 HB1 LYS 42 3.093 9.726 4.406 216 HG2 LYS 42 HG2 LYS 42 5.621 9.300 4.687 217 HG3 LYS 42 HG1 LYS 42 5.806 10.713 3.648 218 HD2 LYS 42 HD2 LYS 42 4.780 12.136 5.197 219 HD3 LYS 42 HD1 LYS 42 4.045 10.792 6.080 220 HE2 LYS 42 HE2 LYS 42 6.343 10.067 6.737 221 HE3 LYS 42 HE1 LYS 42 6.970 11.532 5.985 222 HZ1 LYS 42 HZ1 LYS 42 6.073 11.242 8.571 223 HZ2 LYS 42 HZ2 LYS 42 4.869 12.144 7.793 224 HZ3 LYS 42 HZ3 LYS 42 6.468 12.689 7.786 225 H LEU 43 HN LEU 43 1.961 8.962 1.243 226 HA LEU 43 HA LEU 43 -0.075 7.723 2.752 227 HB2 LEU 43 HB2 LEU 43 -0.401 9.451 0.970 228 HB3 LEU 43 HB1 LEU 43 -0.028 8.225 -0.225 229 HG LEU 43 HG LEU 43 -2.186 7.480 1.623 230 HD11 LEU 43 HD11 LEU 43 -2.676 9.843 1.469 231 HD12 LEU 43 HD12 LEU 43 -3.846 8.919 0.526 232 HD13 LEU 43 HD13 LEU 43 -2.541 9.782 -0.287 233 HD21 LEU 43 HD21 LEU 43 -1.939 7.540 -1.386 234 HD22 LEU 43 HD22 LEU 43 -3.236 6.775 -0.468 235 HD23 LEU 43 HD23 LEU 43 -1.588 6.162 -0.343 236 H MET 44 HN MET 44 1.853 6.634 0.000 237 HA MET 44 HA MET 44 0.611 4.125 -0.306 238 HB2 MET 44 HB2 MET 44 3.395 5.049 -1.029 239 HB3 MET 44 HB1 MET 44 2.718 3.500 -1.514 240 HG2 MET 44 HG2 MET 44 0.864 4.769 -2.630 241 HG3 MET 44 HG1 MET 44 1.783 6.240 -2.312 242 HE1 MET 44 HE1 MET 44 3.798 7.037 -3.641 243 HE2 MET 44 HE2 MET 44 4.837 5.987 -4.601 244 HE3 MET 44 HE3 MET 44 4.718 5.753 -2.858 245 H LYS 45 HN LYS 45 3.546 5.088 1.439 246 HA LYS 45 HA LYS 45 4.221 2.520 2.364 247 HB2 LYS 45 HB2 LYS 45 4.900 5.263 3.414 248 HB3 LYS 45 HB1 LYS 45 5.578 3.781 4.074 249 HG2 LYS 45 HG2 LYS 45 6.571 3.249 1.923 250 HG3 LYS 45 HG1 LYS 45 5.852 4.697 1.218 251 HD2 LYS 45 HD2 LYS 45 7.169 6.111 2.661 252 HD3 LYS 45 HD1 LYS 45 7.805 4.705 3.517 253 HE2 LYS 45 HE2 LYS 45 8.841 3.935 1.409 254 HE3 LYS 45 HE1 LYS 45 8.265 5.401 0.617 255 HZ1 LYS 45 HZ1 LYS 45 10.018 5.467 3.004 256 HZ2 LYS 45 HZ2 LYS 45 9.675 6.727 1.934 257 HZ3 LYS 45 HZ3 LYS 45 10.631 5.426 1.430 258 H ALA 46 HN ALA 46 2.223 5.068 3.807 259 HA ALA 46 HA ALA 46 1.909 3.925 6.348 260 HB1 ALA 46 HB1 ALA 46 1.271 6.236 5.753 261 HB2 ALA 46 HB2 ALA 46 0.004 5.365 6.617 262 HB3 ALA 46 HB3 ALA 46 -0.116 5.594 4.873 263 H TYR 47 HN TYR 47 -0.058 3.525 3.406 264 HA TYR 47 HA TYR 47 -1.950 1.804 4.644 265 HB2 TYR 47 HB2 TYR 47 -2.492 3.020 2.588 266 HB3 TYR 47 HB1 TYR 47 -1.261 2.112 1.711 267 HD1 TYR 47 HD1 TYR 47 -1.896 0.208 0.546 268 HD2 TYR 47 HD2 TYR 47 -4.343 1.566 3.750 269 HE1 TYR 47 HE1 TYR 47 -3.555 -1.522 0.010 270 HE2 TYR 47 HE2 TYR 47 -6.009 -0.164 3.217 271 HH TYR 47 HH TYR 47 -6.684 -1.641 1.560 272 H CYS 48 HN CYS 48 1.092 1.296 2.965 273 HA CYS 48 HA CYS 48 0.940 -1.495 2.681 274 HB2 CYS 48 HB2 CYS 48 3.271 0.397 2.933 275 HB3 CYS 48 HB1 CYS 48 3.500 -1.338 2.738 276 HG CYS 48 HG CYS 48 2.777 -1.529 0.208 277 H GLU 49 HN GLU 49 2.178 0.527 5.322 278 HA GLU 49 HA GLU 49 3.075 -1.621 6.930 279 HB2 GLU 49 HB2 GLU 49 2.231 1.165 7.753 280 HB3 GLU 49 HB1 GLU 49 3.129 0.033 8.758 281 HG2 GLU 49 HG2 GLU 49 4.908 0.044 6.988 282 HG3 GLU 49 HG1 GLU 49 4.040 1.376 6.230 283 H ARG 50 HN ARG 50 -0.035 -0.150 6.463 284 HA ARG 50 HA ARG 50 -1.297 -1.103 8.815 285 HB2 ARG 50 HB2 ARG 50 -2.029 0.450 6.579 286 HB3 ARG 50 HB1 ARG 50 -3.132 -0.919 6.600 287 HG2 ARG 50 HG2 ARG 50 -4.171 0.799 7.828 288 HG3 ARG 50 HG1 ARG 50 -3.588 -0.362 9.023 289 HD2 ARG 50 HD2 ARG 50 -1.451 1.338 8.726 290 HD3 ARG 50 HD1 ARG 50 -2.833 2.424 8.578 291 HE ARG 50 HE ARG 50 -1.878 1.169 10.944 292 HH11 ARG 50 HH11 ARG 50 -4.876 2.089 9.333 293 HH12 ARG 50 HH12 ARG 50 -5.716 2.476 10.877 294 HH21 ARG 50 HH21 ARG 50 -4.645 2.148 12.890 295 HH22 ARG 50 HH22 ARG 50 -2.944 1.553 12.920 296 H GLN 51 HN GLN 51 -1.066 -2.385 5.515 297 HA GLN 51 HA GLN 51 -2.532 -4.781 6.264 298 HB2 GLN 51 HB2 GLN 51 -1.168 -4.080 3.659 299 HB3 GLN 51 HB1 GLN 51 -2.254 -5.435 3.922 300 HG2 GLN 51 HG2 GLN 51 -3.183 -2.641 4.428 301 HG3 GLN 51 HG1 GLN 51 -3.126 -3.278 2.788 302 HE21 GLN 51 HE21 GLN 51 -5.303 -3.298 2.447 303 HE22 GLN 51 HE22 GLN 51 -6.391 -4.355 3.281 304 H GLY 52 HN GLY 52 0.629 -3.742 6.518 305 HA2 GLY 52 HA2 GLY 52 2.553 -4.846 7.141 306 HA3 GLY 52 HA1 GLY 52 1.594 -6.312 7.285 307 H LEU 53 HN LEU 53 1.953 -4.328 4.412 308 HA LEU 53 HA LEU 53 3.305 -6.590 3.091 309 HB2 LEU 53 HB2 LEU 53 1.406 -4.607 1.839 310 HB3 LEU 53 HB1 LEU 53 2.173 -5.960 1.031 311 HG LEU 53 HG LEU 53 0.183 -6.218 3.285 312 HD11 LEU 53 HD11 LEU 53 -1.373 -6.973 1.538 313 HD12 LEU 53 HD12 LEU 53 -0.181 -6.539 0.310 314 HD13 LEU 53 HD13 LEU 53 -0.892 -5.289 1.331 315 HD21 LEU 53 HD21 LEU 53 1.651 -8.110 3.214 316 HD22 LEU 53 HD22 LEU 53 1.474 -8.241 1.465 317 HD23 LEU 53 HD23 LEU 53 0.103 -8.583 2.518 318 H SER 54 HN SER 54 4.710 -6.020 1.313 319 HA SER 54 HA SER 54 6.297 -3.698 1.898 320 HB2 SER 54 HB2 SER 54 7.432 -5.745 1.246 321 HB3 SER 54 HB1 SER 54 6.521 -5.814 -0.262 322 HG SER 54 HG SER 54 8.814 -4.527 0.266 323 H MET 55 HN MET 55 6.696 -1.949 0.499 324 HA MET 55 HA MET 55 4.443 -0.982 -0.906 325 HB2 MET 55 HB2 MET 55 5.970 0.566 0.127 326 HB3 MET 55 HB1 MET 55 7.311 -0.041 -0.830 327 HG2 MET 55 HG2 MET 55 6.156 0.791 -2.864 328 HG3 MET 55 HG1 MET 55 4.939 1.521 -1.818 329 HE1 MET 55 HE1 MET 55 5.831 3.667 -3.510 330 HE2 MET 55 HE2 MET 55 7.202 2.708 -4.068 331 HE3 MET 55 HE3 MET 55 7.469 4.306 -3.372 332 H ARG 56 HN ARG 56 7.124 -2.929 -1.843 333 HA ARG 56 HA ARG 56 6.896 -2.358 -4.663 334 HB2 ARG 56 HB2 ARG 56 9.042 -3.017 -3.503 335 HB3 ARG 56 HB1 ARG 56 8.384 -4.643 -3.366 336 HG2 ARG 56 HG2 ARG 56 8.087 -4.520 -5.916 337 HG3 ARG 56 HG1 ARG 56 9.185 -3.145 -5.831 338 HD2 ARG 56 HD2 ARG 56 10.973 -4.436 -5.265 339 HD3 ARG 56 HD1 ARG 56 9.985 -5.637 -4.434 340 HE ARG 56 HE ARG 56 9.469 -6.619 -6.531 341 HH11 ARG 56 HH11 ARG 56 12.457 -4.534 -8.323 342 HH12 ARG 56 HH12 ARG 56 11.856 -4.029 -6.698 343 HH21 ARG 56 HH21 ARG 56 11.545 -6.372 -9.373 344 HH22 ARG 56 HH22 ARG 56 10.211 -7.297 -8.586 345 H GLN 57 HN GLN 57 5.119 -4.249 -2.521 346 HA GLN 57 HA GLN 57 4.558 -6.380 -4.402 347 HB2 GLN 57 HB2 GLN 57 4.608 -6.942 -2.044 348 HB3 GLN 57 HB1 GLN 57 3.372 -5.745 -1.695 349 HG2 GLN 57 HG2 GLN 57 1.798 -7.026 -3.127 350 HG3 GLN 57 HG1 GLN 57 3.038 -8.265 -3.304 351 HE21 GLN 57 HE21 GLN 57 0.326 -8.313 -2.085 352 HE22 GLN 57 HE22 GLN 57 0.571 -8.927 -0.484 353 H ILE 58 HN ILE 58 2.884 -3.547 -3.097 354 HA ILE 58 HA ILE 58 0.676 -4.071 -4.954 355 HB ILE 58 HB ILE 58 -0.604 -2.407 -3.620 356 HG12 ILE 58 HG12 ILE 58 1.791 -2.546 -1.770 357 HG13 ILE 58 HG11 ILE 58 1.313 -1.141 -2.719 358 HG21 ILE 58 HG21 ILE 58 -0.810 -4.805 -3.199 359 HG22 ILE 58 HG22 ILE 58 -0.977 -3.882 -1.707 360 HG23 ILE 58 HG23 ILE 58 0.529 -4.727 -2.055 361 HD11 ILE 58 HD11 ILE 58 0.628 -0.900 -0.408 362 HD12 ILE 58 HD12 ILE 58 -0.284 -2.408 -0.504 363 HD13 ILE 58 HD13 ILE 58 -0.781 -1.012 -1.462 364 H ARG 59 HN ARG 59 -0.394 -2.079 -5.845 365 HA ARG 59 HA ARG 59 1.527 0.042 -6.526 366 HB2 ARG 59 HB2 ARG 59 -0.229 -1.452 -8.491 367 HB3 ARG 59 HB1 ARG 59 0.671 0.009 -8.870 368 HG2 ARG 59 HG2 ARG 59 1.877 -2.615 -8.018 369 HG3 ARG 59 HG1 ARG 59 1.792 -2.011 -9.673 370 HD2 ARG 59 HD2 ARG 59 3.141 -0.050 -8.991 371 HD3 ARG 59 HD1 ARG 59 3.282 -0.742 -7.372 372 HE ARG 59 HE ARG 59 4.697 -1.558 -9.755 373 HH11 ARG 59 HH11 ARG 59 4.886 -3.769 -6.364 374 HH12 ARG 59 HH12 ARG 59 3.702 -2.406 -6.486 375 HH21 ARG 59 HH21 ARG 59 6.241 -3.234 -9.609 376 HH22 ARG 59 HH22 ARG 59 6.315 -4.219 -8.100 377 H PHE 60 HN PHE 60 0.616 2.067 -6.710 378 HA PHE 60 HA PHE 60 -2.233 2.224 -6.008 379 HB2 PHE 60 HB2 PHE 60 0.067 4.106 -5.516 380 HB3 PHE 60 HB1 PHE 60 -1.608 4.604 -5.325 381 HD1 PHE 60 HD1 PHE 60 0.816 2.025 -4.176 382 HD2 PHE 60 HD2 PHE 60 -2.681 4.288 -3.301 383 HE1 PHE 60 HE1 PHE 60 0.818 1.136 -1.882 384 HE2 PHE 60 HE2 PHE 60 -2.683 3.401 -1.005 385 HZ PHE 60 HZ PHE 60 -0.932 1.824 -0.295 386 H ARG 61 HN ARG 61 -3.647 3.337 -7.238 387 HA ARG 61 HA ARG 61 -2.583 4.756 -9.587 388 HB2 ARG 61 HB2 ARG 61 -4.862 2.788 -9.479 389 HB3 ARG 61 HB1 ARG 61 -4.659 3.933 -10.796 390 HG2 ARG 61 HG2 ARG 61 -2.357 2.943 -11.129 391 HG3 ARG 61 HG1 ARG 61 -2.858 1.656 -10.026 392 HD2 ARG 61 HD2 ARG 61 -4.852 1.313 -11.530 393 HD3 ARG 61 HD1 ARG 61 -4.077 2.405 -12.675 394 HE ARG 61 HE ARG 61 -3.027 -0.220 -11.843 395 HH11 ARG 61 HH11 ARG 61 -2.199 1.605 -15.374 396 HH12 ARG 61 HH12 ARG 61 -3.144 2.489 -14.115 397 HH21 ARG 61 HH21 ARG 61 -1.800 -1.338 -13.406 398 HH22 ARG 61 HH22 ARG 61 -1.421 -0.515 -14.969 399 H PHE 62 HN PHE 62 -3.472 6.666 -10.036 400 HA PHE 62 HA PHE 62 -5.804 7.506 -8.444 401 HB2 PHE 62 HB2 PHE 62 -3.918 8.831 -7.767 402 HB3 PHE 62 HB1 PHE 62 -3.429 9.097 -9.437 403 HD1 PHE 62 HD1 PHE 62 -6.482 9.608 -7.344 404 HD2 PHE 62 HD2 PHE 62 -3.835 11.184 -10.275 405 HE1 PHE 62 HE1 PHE 62 -7.797 11.690 -7.404 406 HE2 PHE 62 HE2 PHE 62 -5.138 13.269 -10.341 407 HZ PHE 62 HZ PHE 62 -7.125 13.526 -8.907 408 H ASP 63 HN ASP 63 -7.442 7.109 -9.813 409 HA ASP 63 HA ASP 63 -8.868 7.339 -11.565 410 HB2 ASP 63 HB2 ASP 63 -8.235 9.806 -11.165 411 HB3 ASP 63 HB1 ASP 63 -7.186 9.633 -12.568 412 H GLY 64 HN GLY 64 -6.623 5.605 -11.734 413 HA2 GLY 64 HA2 GLY 64 -6.233 4.063 -13.513 414 HA3 GLY 64 HA1 GLY 64 -6.444 5.376 -14.659 415 H GLN 65 HN GLN 65 -4.739 7.265 -13.523 416 HA GLN 65 HA GLN 65 -2.236 6.378 -14.552 417 HB2 GLN 65 HB2 GLN 65 -3.029 8.900 -13.091 418 HB3 GLN 65 HB1 GLN 65 -1.436 8.633 -13.786 419 HG2 GLN 65 HG2 GLN 65 -4.020 8.641 -15.331 420 HG3 GLN 65 HG1 GLN 65 -2.891 9.992 -15.220 421 HE21 GLN 65 HE21 GLN 65 -0.877 9.829 -16.226 422 HE22 GLN 65 HE22 GLN 65 -0.572 8.673 -17.475 423 HA PRO 66 HA PRO 66 -0.620 4.646 -10.762 424 HB2 PRO 66 HB2 PRO 66 2.027 4.940 -12.005 425 HB3 PRO 66 HB1 PRO 66 1.176 3.470 -11.518 426 HG2 PRO 66 HG2 PRO 66 1.535 4.097 -14.099 427 HG3 PRO 66 HG1 PRO 66 0.088 3.248 -13.518 428 HD2 PRO 66 HD2 PRO 66 0.415 6.123 -14.254 429 HD3 PRO 66 HD1 PRO 66 -0.943 5.020 -14.561 430 H ILE 67 HN ILE 67 0.143 5.531 -8.910 431 HA ILE 67 HA ILE 67 0.821 8.326 -8.892 432 HB ILE 67 HB ILE 67 0.697 6.292 -6.657 433 HG12 ILE 67 HG12 ILE 67 -1.183 8.500 -7.527 434 HG13 ILE 67 HG11 ILE 67 -1.476 6.770 -7.641 435 HG21 ILE 67 HG21 ILE 67 1.073 9.282 -6.489 436 HG22 ILE 67 HG22 ILE 67 2.271 8.056 -6.072 437 HG23 ILE 67 HG23 ILE 67 0.793 8.207 -5.119 438 HD11 ILE 67 HD11 ILE 67 -1.228 8.380 -5.113 439 HD12 ILE 67 HD12 ILE 67 -1.440 6.633 -5.183 440 HD13 ILE 67 HD13 ILE 67 -2.705 7.700 -5.792 441 H ASN 68 HN ASN 68 2.786 9.244 -8.705 442 HA ASN 68 HA ASN 68 5.109 7.533 -9.016 443 HB2 ASN 68 HB2 ASN 68 4.929 9.531 -10.399 444 HB3 ASN 68 HB1 ASN 68 4.803 10.548 -8.970 445 HD21 ASN 68 HD21 ASN 68 6.575 11.782 -9.307 446 HD22 ASN 68 HD22 ASN 68 8.196 11.172 -9.304 447 H GLU 69 HN GLU 69 7.000 7.689 -7.657 448 HA GLU 69 HA GLU 69 6.426 7.604 -4.888 449 HB2 GLU 69 HB2 GLU 69 9.065 7.758 -6.356 450 HB3 GLU 69 HB1 GLU 69 8.917 7.474 -4.628 451 HG2 GLU 69 HG2 GLU 69 7.689 5.412 -5.065 452 HG3 GLU 69 HG1 GLU 69 7.818 5.703 -6.798 453 H THR 70 HN THR 70 7.724 10.076 -7.003 454 HA THR 70 HA THR 70 8.046 11.918 -4.752 455 HB THR 70 HB THR 70 8.677 13.163 -7.231 456 HG1 THR 70 HG1 THR 70 10.504 11.291 -7.385 457 HG21 THR 70 HG21 THR 70 9.714 13.617 -5.047 458 HG22 THR 70 HG22 THR 70 10.922 13.255 -6.279 459 HG23 THR 70 HG23 THR 70 10.481 12.031 -5.091 460 H ASP 71 HN ASP 71 5.417 11.100 -5.561 461 HA ASP 71 HA ASP 71 4.314 13.341 -7.053 462 HB2 ASP 71 HB2 ASP 71 3.638 10.673 -6.904 463 HB3 ASP 71 HB1 ASP 71 2.416 11.444 -5.898 464 H THR 72 HN THR 72 2.389 14.433 -6.243 465 HA THR 72 HA THR 72 2.109 14.565 -3.348 466 HB THR 72 HB THR 72 2.096 17.251 -3.961 467 HG1 THR 72 HG1 THR 72 3.890 17.685 -5.202 468 HG21 THR 72 HG21 THR 72 4.467 15.681 -2.949 469 HG22 THR 72 HG22 THR 72 3.073 16.142 -1.971 470 HG23 THR 72 HG23 THR 72 4.125 17.384 -2.650 471 HA PRO 73 HA PRO 73 -2.207 15.026 -4.202 472 HB2 PRO 73 HB2 PRO 73 -2.215 17.295 -2.274 473 HB3 PRO 73 HB1 PRO 73 -3.204 15.828 -2.293 474 HG2 PRO 73 HG2 PRO 73 -1.224 16.083 -0.548 475 HG3 PRO 73 HG1 PRO 73 -1.561 14.526 -1.331 476 HD2 PRO 73 HD2 PRO 73 0.621 16.479 -1.883 477 HD3 PRO 73 HD1 PRO 73 0.651 14.705 -1.923 478 H ALA 74 HN ALA 74 -0.495 18.124 -3.844 479 HA ALA 74 HA ALA 74 -2.329 19.555 -5.489 480 HB1 ALA 74 HB1 ALA 74 -0.839 21.415 -5.265 481 HB2 ALA 74 HB2 ALA 74 0.473 20.360 -4.743 482 HB3 ALA 74 HB3 ALA 74 -0.934 20.591 -3.709 483 H GLN 75 HN GLN 75 0.467 17.629 -6.099 484 HA GLN 75 HA GLN 75 1.225 18.726 -8.598 485 HB2 GLN 75 HB2 GLN 75 2.784 17.334 -7.427 486 HB3 GLN 75 HB1 GLN 75 1.645 16.001 -7.363 487 HG2 GLN 75 HG2 GLN 75 3.343 15.540 -9.000 488 HG3 GLN 75 HG1 GLN 75 1.794 15.781 -9.808 489 HE21 GLN 75 HE21 GLN 75 2.759 16.280 -11.748 490 HE22 GLN 75 HE22 GLN 75 3.571 17.780 -12.027 491 H LEU 76 HN LEU 76 -0.815 15.970 -7.704 492 HA LEU 76 HA LEU 76 -1.624 15.575 -10.453 493 HB2 LEU 76 HB2 LEU 76 -2.399 14.221 -7.875 494 HB3 LEU 76 HB1 LEU 76 -3.106 13.805 -9.423 495 HG LEU 76 HG LEU 76 -0.152 13.627 -8.828 496 HD11 LEU 76 HD11 LEU 76 -2.266 11.479 -8.799 497 HD12 LEU 76 HD12 LEU 76 -1.329 12.057 -7.421 498 HD13 LEU 76 HD13 LEU 76 -0.526 11.193 -8.733 499 HD21 LEU 76 HD21 LEU 76 -0.578 13.887 -11.180 500 HD22 LEU 76 HD22 LEU 76 -1.851 12.665 -11.130 501 HD23 LEU 76 HD23 LEU 76 -0.170 12.199 -10.868 502 H GLU 77 HN GLU 77 -2.411 17.842 -8.310 503 HA GLU 77 HA GLU 77 -4.141 19.273 -7.978 504 HB2 GLU 77 HB2 GLU 77 -4.766 18.207 -10.717 505 HB3 GLU 77 HB1 GLU 77 -5.816 19.384 -9.943 506 HG2 GLU 77 HG2 GLU 77 -2.887 19.903 -10.187 507 HG3 GLU 77 HG1 GLU 77 -3.968 20.195 -11.547 508 H MET 78 HN MET 78 -4.403 16.947 -6.600 509 HA MET 78 HA MET 78 -6.976 15.732 -6.986 510 HB2 MET 78 HB2 MET 78 -5.131 15.603 -4.593 511 HB3 MET 78 HB1 MET 78 -6.490 14.533 -4.915 512 HG2 MET 78 HG2 MET 78 -5.359 13.686 -6.901 513 HG3 MET 78 HG1 MET 78 -4.000 14.765 -6.592 514 HE1 MET 78 HE1 MET 78 -5.834 11.462 -5.578 515 HE2 MET 78 HE2 MET 78 -6.245 12.560 -4.263 516 HE3 MET 78 HE3 MET 78 -5.196 11.178 -3.960 517 H GLU 79 HN GLU 79 -8.693 15.759 -5.388 518 HA GLU 79 HA GLU 79 -8.810 18.287 -3.878 519 HB2 GLU 79 HB2 GLU 79 -10.486 17.420 -6.034 520 HB3 GLU 79 HB1 GLU 79 -11.447 17.507 -4.562 521 HG2 GLU 79 HG2 GLU 79 -9.858 19.704 -5.855 522 HG3 GLU 79 HG1 GLU 79 -11.607 19.616 -5.634 523 H ASP 80 HN ASP 80 -10.833 18.130 -2.306 524 HA ASP 80 HA ASP 80 -10.193 16.052 -0.472 525 HB2 ASP 80 HB2 ASP 80 -11.039 18.361 0.126 526 HB3 ASP 80 HB1 ASP 80 -12.636 17.819 -0.378 527 H GLU 81 HN GLU 81 -11.202 14.218 0.039 528 HA GLU 81 HA GLU 81 -12.522 12.404 -0.080 529 HB2 GLU 81 HB2 GLU 81 -14.442 14.368 -1.311 530 HB3 GLU 81 HB1 GLU 81 -14.833 12.662 -1.137 531 HG2 GLU 81 HG2 GLU 81 -14.327 12.910 1.311 532 HG3 GLU 81 HG1 GLU 81 -14.252 14.649 1.034 533 H ASP 82 HN ASP 82 -10.567 13.067 -2.078 534 HA ASP 82 HA ASP 82 -11.523 12.234 -4.637 535 HB2 ASP 82 HB2 ASP 82 -9.283 13.524 -3.847 536 HB3 ASP 82 HB1 ASP 82 -8.643 11.891 -4.010 537 H THR 83 HN THR 83 -10.139 10.261 -5.667 538 HA THR 83 HA THR 83 -10.433 8.009 -3.777 539 HB THR 83 HB THR 83 -11.119 7.609 -6.654 540 HG1 THR 83 HG1 THR 83 -12.293 9.484 -5.357 541 HG21 THR 83 HG21 THR 83 -12.647 5.948 -5.705 542 HG22 THR 83 HG22 THR 83 -12.192 6.450 -4.079 543 HG23 THR 83 HG23 THR 83 -10.999 5.691 -5.133 544 H ILE 84 HN ILE 84 -8.886 6.519 -3.775 545 HA ILE 84 HA ILE 84 -6.919 6.479 -5.972 546 HB ILE 84 HB ILE 84 -6.297 6.199 -3.023 547 HG12 ILE 84 HG12 ILE 84 -5.456 8.348 -4.981 548 HG13 ILE 84 HG11 ILE 84 -6.718 8.537 -3.768 549 HG21 ILE 84 HG21 ILE 84 -3.941 6.101 -3.759 550 HG22 ILE 84 HG22 ILE 84 -4.493 6.049 -5.433 551 HG23 ILE 84 HG23 ILE 84 -4.897 4.732 -4.330 552 HD11 ILE 84 HD11 ILE 84 -3.825 7.959 -3.175 553 HD12 ILE 84 HD12 ILE 84 -5.099 8.264 -1.995 554 HD13 ILE 84 HD13 ILE 84 -4.586 9.545 -3.091 555 H ASP 85 HN ASP 85 -6.479 4.481 -6.747 556 HA ASP 85 HA ASP 85 -7.858 2.226 -5.467 557 HB2 ASP 85 HB2 ASP 85 -7.845 3.062 -8.085 558 HB3 ASP 85 HB1 ASP 85 -6.648 1.772 -8.099 559 H VAL 86 HN VAL 86 -6.794 0.308 -4.983 560 HA VAL 86 HA VAL 86 -3.845 0.416 -5.118 561 HB VAL 86 HB VAL 86 -5.381 -1.052 -2.979 562 HG11 VAL 86 HG11 VAL 86 -3.178 -0.860 -1.799 563 HG12 VAL 86 HG12 VAL 86 -2.502 -0.232 -3.301 564 HG13 VAL 86 HG13 VAL 86 -3.160 -1.869 -3.246 565 HG21 VAL 86 HG21 VAL 86 -4.919 0.790 -1.463 566 HG22 VAL 86 HG22 VAL 86 -5.910 1.338 -2.817 567 HG23 VAL 86 HG23 VAL 86 -4.186 1.708 -2.780 568 H PHE 87 HN PHE 87 -3.056 -1.069 -6.432 569 HA PHE 87 HA PHE 87 -4.559 -3.577 -6.817 570 HB2 PHE 87 HB2 PHE 87 -2.732 -2.067 -8.694 571 HB3 PHE 87 HB1 PHE 87 -3.318 -3.697 -9.013 572 HD1 PHE 87 HD1 PHE 87 -5.669 -4.096 -9.483 573 HD2 PHE 87 HD2 PHE 87 -4.168 -0.159 -8.918 574 HE1 PHE 87 HE1 PHE 87 -7.712 -3.178 -10.489 575 HE2 PHE 87 HE2 PHE 87 -6.214 0.765 -9.926 576 HZ PHE 87 HZ PHE 87 -7.990 -0.746 -10.709 577 H GLN 88 HN GLN 88 -3.064 -5.421 -7.536 578 HA GLN 88 HA GLN 88 -0.560 -5.338 -5.981 579 HB2 GLN 88 HB2 GLN 88 -2.392 -7.727 -6.288 580 HB3 GLN 88 HB1 GLN 88 -0.905 -7.664 -5.352 581 HG2 GLN 88 HG2 GLN 88 -2.292 -5.646 -4.217 582 HG3 GLN 88 HG1 GLN 88 -3.605 -6.724 -4.690 583 HE21 GLN 88 HE21 GLN 88 -4.147 -7.377 -2.653 584 HE22 GLN 88 HE22 GLN 88 -3.112 -8.340 -1.654 585 H GLN 89 HN GLN 89 1.208 -6.423 -6.862 586 HA GLN 89 HA GLN 89 1.121 -6.749 -9.723 587 HB2 GLN 89 HB2 GLN 89 3.055 -5.887 -8.091 588 HB3 GLN 89 HB1 GLN 89 3.503 -7.585 -8.146 589 HG2 GLN 89 HG2 GLN 89 4.731 -6.337 -9.805 590 HG3 GLN 89 HG1 GLN 89 3.632 -7.473 -10.585 591 HE21 GLN 89 HE21 GLN 89 1.908 -6.696 -11.778 592 HE22 GLN 89 HE22 GLN 89 1.741 -5.027 -12.199 593 H GLN 90 HN GLN 90 1.868 -8.686 -10.819 594 HA GLN 90 HA GLN 90 0.537 -11.009 -9.894 595 HB2 GLN 90 HB2 GLN 90 2.520 -10.676 -12.152 596 HB3 GLN 90 HB1 GLN 90 1.537 -12.106 -11.879 597 HG2 GLN 90 HG2 GLN 90 0.217 -11.116 -13.400 598 HG3 GLN 90 HG1 GLN 90 -0.404 -10.278 -11.977 599 HE21 GLN 90 HE21 GLN 90 -0.286 -9.475 -14.799 600 HE22 GLN 90 HE22 GLN 90 0.561 -7.967 -14.822 601 H THR 91 HN THR 91 1.351 -12.968 -9.189 602 HA THR 91 HA THR 91 3.908 -12.800 -7.817 603 HB THR 91 HB THR 91 2.184 -15.248 -7.760 604 HG1 THR 91 HG1 THR 91 1.636 -12.821 -6.350 605 HG21 THR 91 HG21 THR 91 3.738 -13.776 -5.629 606 HG22 THR 91 HG22 THR 91 4.304 -15.193 -6.511 607 HG23 THR 91 HG23 THR 91 2.916 -15.324 -5.432 608 H GLY 92 HN GLY 92 2.747 -13.844 -10.772 609 HA2 GLY 92 HA2 GLY 92 5.099 -14.671 -11.874 610 HA3 GLY 92 HA1 GLY 92 4.417 -16.137 -11.177 611 H ASN 357 HT1 ASN 357 -19.622 -3.591 5.845 612 HA ASN 357 HA ASN 357 -18.104 -2.011 3.875 613 HB2 ASN 357 HB2 ASN 357 -20.238 -0.888 4.328 614 HB3 ASN 357 HB1 ASN 357 -19.974 -1.052 6.060 615 HD21 ASN 357 HD21 ASN 357 -19.871 1.062 6.619 616 HD22 ASN 357 HD22 ASN 357 -18.668 2.167 6.045 617 H ASN 358 HN ASN 358 -16.068 -1.919 4.486 618 HA ASN 358 HA ASN 358 -15.450 -2.170 7.361 619 HB2 ASN 358 HB2 ASN 358 -14.676 -4.128 6.123 620 HB3 ASN 358 HB1 ASN 358 -13.822 -3.102 4.977 621 HD21 ASN 358 HD21 ASN 358 -11.899 -4.186 5.450 622 HD22 ASN 358 HD22 ASN 358 -11.026 -3.894 6.915 623 H ARG 359 HN ARG 359 -14.408 -0.528 8.249 624 HA ARG 359 HA ARG 359 -13.183 1.481 6.482 625 HB2 ARG 359 HB2 ARG 359 -13.878 3.151 8.247 626 HB3 ARG 359 HB1 ARG 359 -15.185 2.441 7.309 627 HG2 ARG 359 HG2 ARG 359 -15.595 0.849 9.157 628 HG3 ARG 359 HG1 ARG 359 -14.354 1.677 10.098 629 HD2 ARG 359 HD2 ARG 359 -15.617 3.647 10.233 630 HD3 ARG 359 HD1 ARG 359 -16.704 3.135 8.943 631 HE ARG 359 HE ARG 359 -16.880 1.304 11.068 632 HH11 ARG 359 HH11 ARG 359 -19.098 4.675 11.376 633 HH12 ARG 359 HH12 ARG 359 -17.679 4.625 10.260 634 HH21 ARG 359 HH21 ARG 359 -18.669 1.312 12.476 635 HH22 ARG 359 HH22 ARG 359 -19.656 2.816 12.619 636 H ASP 360 HN ASP 360 -11.166 1.949 6.856 637 HA ASP 360 HA ASP 360 -9.992 1.363 9.487 638 HB2 ASP 360 HB2 ASP 360 -9.164 -0.251 7.792 639 HB3 ASP 360 HB1 ASP 360 -8.598 1.095 6.817 640 HA PRO 361 HA PRO 361 -8.800 5.628 8.827 641 HB2 PRO 361 HB2 PRO 361 -8.464 6.256 11.416 642 HB3 PRO 361 HB1 PRO 361 -10.064 5.858 10.770 643 HG2 PRO 361 HG2 PRO 361 -8.405 4.307 12.608 644 HG3 PRO 361 HG1 PRO 361 -10.122 4.121 12.214 645 HD2 PRO 361 HD2 PRO 361 -7.817 2.667 11.123 646 HD3 PRO 361 HD1 PRO 361 -9.555 2.286 11.021 647 H ILE 362 HN ILE 362 -6.921 6.419 8.193 648 HA ILE 362 HA ILE 362 -4.465 5.591 9.577 649 HB ILE 362 HB ILE 362 -4.662 6.313 6.648 650 HG12 ILE 362 HG12 ILE 362 -4.690 3.645 8.056 651 HG13 ILE 362 HG11 ILE 362 -5.817 4.249 6.847 652 HG21 ILE 362 HG21 ILE 362 -2.398 5.372 6.526 653 HG22 ILE 362 HG22 ILE 362 -2.412 5.129 8.272 654 HG23 ILE 362 HG23 ILE 362 -2.478 6.762 7.612 655 HD11 ILE 362 HD11 ILE 362 -2.954 3.462 6.350 656 HD12 ILE 362 HD12 ILE 362 -4.089 4.053 5.137 657 HD13 ILE 362 HD13 ILE 362 -4.384 2.514 5.942 658 H VAL 363 HN VAL 363 -3.143 7.098 10.256 659 HA VAL 363 HA VAL 363 -3.811 9.906 9.656 660 HB VAL 363 HB VAL 363 -2.443 8.862 12.152 661 HG11 VAL 363 HG11 VAL 363 -2.993 11.090 13.052 662 HG12 VAL 363 HG12 VAL 363 -3.615 11.558 11.470 663 HG13 VAL 363 HG13 VAL 363 -1.905 11.167 11.668 664 HG21 VAL 363 HG21 VAL 363 -4.652 7.986 12.208 665 HG22 VAL 363 HG22 VAL 363 -5.338 9.520 11.670 666 HG23 VAL 363 HG23 VAL 363 -4.624 9.391 13.276 667 H ILE 364 HN ILE 364 -2.287 11.197 9.012 668 HA ILE 364 HA ILE 364 0.350 10.045 8.451 669 HB ILE 364 HB ILE 364 -1.481 11.176 6.682 670 HG12 ILE 364 HG12 ILE 364 0.225 10.782 5.030 671 HG13 ILE 364 HG11 ILE 364 1.496 10.868 6.252 672 HG21 ILE 364 HG21 ILE 364 0.678 13.150 7.351 673 HG22 ILE 364 HG22 ILE 364 -1.058 13.421 7.191 674 HG23 ILE 364 HG23 ILE 364 -0.080 13.099 5.763 675 HD11 ILE 364 HD11 ILE 364 -0.592 8.846 6.713 676 HD12 ILE 364 HD12 ILE 364 1.158 8.752 6.926 677 HD13 ILE 364 HD13 ILE 364 0.454 8.576 5.319 678 H SEP 365 HN SEP 365 2.180 11.272 8.846 679 HA SEP 365 HA SEP 365 1.742 13.332 10.890 680 HB2 SEP 365 HB1 SEP 365 3.088 11.408 11.569 681 HB3 SEP 365 HB2 SEP 365 4.163 12.804 11.405 682 H ASP 366 HN ASP 366 2.127 15.319 10.396 683 HA ASP 366 HA ASP 366 3.874 15.994 8.135 684 HB2 ASP 366 HB2 ASP 366 1.319 16.213 7.828 685 HB3 ASP 366 HB1 ASP 366 1.450 17.596 8.908 686 H SEP 367 HN SEP 367 5.425 17.471 8.589 687 HA SEP 367 HA SEP 367 5.884 18.313 11.234 688 HB2 SEP 367 HB1 SEP 367 7.652 19.742 10.168 689 HB3 SEP 367 HB2 SEP 367 7.030 19.233 8.596 690 HA PRO 368 HA PRO 368 3.614 22.013 11.981 691 HB2 PRO 368 HB2 PRO 368 6.246 23.419 12.210 692 HB3 PRO 368 HB1 PRO 368 4.867 23.424 13.320 693 HG2 PRO 368 HG2 PRO 368 7.009 21.980 13.886 694 HG3 PRO 368 HG1 PRO 368 5.379 21.355 14.209 695 HD2 PRO 368 HD2 PRO 368 7.284 20.616 12.052 696 HD3 PRO 368 HD1 PRO 368 6.095 19.616 12.905 Start of MODEL 18 1 H ASP 16 HT1 ASP 16 -3.894 22.538 6.215 2 HA ASP 16 HA ASP 16 -6.846 22.401 6.094 3 HB2 ASP 16 HB2 ASP 16 -4.787 23.090 4.038 4 HB3 ASP 16 HB1 ASP 16 -6.190 22.147 3.542 5 H HIS 17 HN HIS 17 -7.511 20.386 6.291 6 HA HIS 17 HA HIS 17 -5.620 18.220 5.676 7 HB2 HIS 17 HB2 HIS 17 -7.899 18.443 7.619 8 HB3 HIS 17 HB1 HIS 17 -7.378 16.861 7.050 9 HD2 HIS 17 HD2 HIS 17 -4.439 16.532 7.475 10 HE1 HIS 17 HE1 HIS 17 -4.753 18.755 11.061 11 HE2 HIS 17 HE2 HIS 17 -3.410 17.014 9.811 12 H ILE 18 HN ILE 18 -6.022 16.893 4.044 13 HA ILE 18 HA ILE 18 -8.618 17.141 2.685 14 HB ILE 18 HB ILE 18 -6.610 17.744 1.359 15 HG12 ILE 18 HG12 ILE 18 -7.917 15.224 0.324 16 HG13 ILE 18 HG11 ILE 18 -8.677 16.813 0.303 17 HG21 ILE 18 HG21 ILE 18 -5.074 15.979 0.605 18 HG22 ILE 18 HG22 ILE 18 -5.856 14.851 1.715 19 HG23 ILE 18 HG23 ILE 18 -4.989 16.250 2.346 20 HD11 ILE 18 HD11 ILE 18 -7.704 16.220 -1.857 21 HD12 ILE 18 HD12 ILE 18 -6.117 16.092 -1.101 22 HD13 ILE 18 HD13 ILE 18 -6.940 17.650 -1.161 23 H ASN 19 HN ASN 19 -9.853 15.344 2.280 24 HA ASN 19 HA ASN 19 -9.046 12.920 3.729 25 HB2 ASN 19 HB2 ASN 19 -11.774 13.735 2.692 26 HB3 ASN 19 HB1 ASN 19 -11.426 12.316 3.676 27 HD21 ASN 19 HD21 ASN 19 -11.585 15.795 3.610 28 HD22 ASN 19 HD22 ASN 19 -11.665 16.021 5.329 29 H LEU 20 HN LEU 20 -7.898 11.659 2.369 30 HA LEU 20 HA LEU 20 -8.909 11.260 -0.349 31 HB2 LEU 20 HB2 LEU 20 -6.296 10.482 0.945 32 HB3 LEU 20 HB1 LEU 20 -6.737 10.071 -0.701 33 HG LEU 20 HG LEU 20 -6.390 12.869 0.377 34 HD11 LEU 20 HD11 LEU 20 -4.689 11.230 -1.492 35 HD12 LEU 20 HD12 LEU 20 -4.269 11.726 0.148 36 HD13 LEU 20 HD13 LEU 20 -4.447 12.936 -1.123 37 HD21 LEU 20 HD21 LEU 20 -6.547 13.475 -2.055 38 HD22 LEU 20 HD22 LEU 20 -8.057 12.933 -1.318 39 HD23 LEU 20 HD23 LEU 20 -7.134 11.839 -2.350 40 H LYS 21 HN LYS 21 -9.966 9.468 -0.910 41 HA LYS 21 HA LYS 21 -10.206 7.370 1.118 42 HB2 LYS 21 HB2 LYS 21 -11.894 7.934 -1.326 43 HB3 LYS 21 HB1 LYS 21 -12.189 6.638 -0.172 44 HG2 LYS 21 HG2 LYS 21 -12.490 8.306 1.604 45 HG3 LYS 21 HG1 LYS 21 -12.245 9.590 0.418 46 HD2 LYS 21 HD2 LYS 21 -14.187 8.606 -0.864 47 HD3 LYS 21 HD1 LYS 21 -14.493 7.595 0.548 48 HE2 LYS 21 HE2 LYS 21 -14.832 9.534 1.929 49 HE3 LYS 21 HE1 LYS 21 -14.354 10.604 0.612 50 HZ1 LYS 21 HZ1 LYS 21 -16.667 10.663 0.631 51 HZ2 LYS 21 HZ2 LYS 21 -16.813 8.984 0.854 52 HZ3 LYS 21 HZ3 LYS 21 -16.297 9.595 -0.635 53 H VAL 22 HN VAL 22 -8.749 5.854 0.914 54 HA VAL 22 HA VAL 22 -7.943 4.929 -1.744 55 HB VAL 22 HB VAL 22 -6.803 4.288 0.987 56 HG11 VAL 22 HG11 VAL 22 -6.455 2.437 -0.525 57 HG12 VAL 22 HG12 VAL 22 -4.932 3.285 -0.255 58 HG13 VAL 22 HG13 VAL 22 -5.824 3.528 -1.758 59 HG21 VAL 22 HG21 VAL 22 -4.958 5.704 0.392 60 HG22 VAL 22 HG22 VAL 22 -6.456 6.619 0.217 61 HG23 VAL 22 HG23 VAL 22 -5.636 5.985 -1.210 62 H ALA 23 HN ALA 23 -9.058 3.269 -2.557 63 HA ALA 23 HA ALA 23 -10.429 1.464 -0.684 64 HB1 ALA 23 HB1 ALA 23 -11.894 0.885 -2.541 65 HB2 ALA 23 HB2 ALA 23 -10.965 1.933 -3.613 66 HB3 ALA 23 HB3 ALA 23 -11.876 2.628 -2.271 67 H GLY 24 HN GLY 24 -9.150 -0.209 -0.232 68 HA2 GLY 24 HA2 GLY 24 -7.279 -1.297 -2.107 69 HA3 GLY 24 HA1 GLY 24 -7.687 -1.972 -0.536 70 H GLN 25 HN GLN 25 -7.271 -3.552 -2.823 71 HA GLN 25 HA GLN 25 -9.632 -4.232 -4.193 72 HB2 GLN 25 HB2 GLN 25 -7.068 -5.699 -3.662 73 HB3 GLN 25 HB1 GLN 25 -8.395 -6.480 -4.508 74 HG2 GLN 25 HG2 GLN 25 -6.890 -4.017 -5.356 75 HG3 GLN 25 HG1 GLN 25 -6.865 -5.608 -6.117 76 HE21 GLN 25 HE21 GLN 25 -8.410 -2.577 -5.951 77 HE22 GLN 25 HE22 GLN 25 -9.685 -2.909 -7.068 78 H ASP 26 HN ASP 26 -8.705 -4.836 -0.975 79 HA ASP 26 HA ASP 26 -10.403 -7.177 -0.683 80 HB2 ASP 26 HB2 ASP 26 -9.653 -7.157 1.672 81 HB3 ASP 26 HB1 ASP 26 -8.305 -7.170 0.546 82 H GLY 27 HN GLY 27 -10.834 -3.889 -0.745 83 HA2 GLY 27 HA2 GLY 27 -12.910 -2.821 -0.494 84 HA3 GLY 27 HA1 GLY 27 -13.461 -4.164 0.494 85 H SER 28 HN SER 28 -10.417 -2.570 1.090 86 HA SER 28 HA SER 28 -11.253 -1.908 3.765 87 HB2 SER 28 HB2 SER 28 -8.855 -0.738 3.610 88 HB3 SER 28 HB1 SER 28 -9.022 -2.480 3.805 89 HG SER 28 HG SER 28 -8.504 -2.799 1.713 90 H VAL 29 HN VAL 29 -12.338 -0.130 4.261 91 HA VAL 29 HA VAL 29 -12.142 2.208 2.511 92 HB VAL 29 HB VAL 29 -14.067 1.605 4.769 93 HG11 VAL 29 HG11 VAL 29 -13.831 3.970 4.657 94 HG12 VAL 29 HG12 VAL 29 -15.335 3.563 3.829 95 HG13 VAL 29 HG13 VAL 29 -13.892 3.956 2.894 96 HG21 VAL 29 HG21 VAL 29 -15.731 1.347 2.996 97 HG22 VAL 29 HG22 VAL 29 -14.412 0.193 2.809 98 HG23 VAL 29 HG23 VAL 29 -14.483 1.626 1.782 99 H VAL 30 HN VAL 30 -10.265 3.207 3.079 100 HA VAL 30 HA VAL 30 -9.835 3.790 5.926 101 HB VAL 30 HB VAL 30 -7.531 4.460 5.224 102 HG11 VAL 30 HG11 VAL 30 -6.965 2.428 5.859 103 HG12 VAL 30 HG12 VAL 30 -7.398 1.777 4.276 104 HG13 VAL 30 HG13 VAL 30 -8.617 1.883 5.549 105 HG21 VAL 30 HG21 VAL 30 -8.316 3.238 2.580 106 HG22 VAL 30 HG22 VAL 30 -6.696 3.753 3.046 107 HG23 VAL 30 HG23 VAL 30 -7.983 4.946 2.873 108 H GLN 31 HN GLN 31 -9.654 5.819 6.689 109 HA GLN 31 HA GLN 31 -10.337 7.994 4.835 110 HB2 GLN 31 HB2 GLN 31 -11.726 7.504 6.975 111 HB3 GLN 31 HB1 GLN 31 -10.379 8.228 7.840 112 HG2 GLN 31 HG2 GLN 31 -10.659 10.275 6.479 113 HG3 GLN 31 HG1 GLN 31 -12.077 9.544 5.733 114 HE21 GLN 31 HE21 GLN 31 -11.917 11.980 7.260 115 HE22 GLN 31 HE22 GLN 31 -12.967 11.788 8.626 116 H PHE 32 HN PHE 32 -8.395 8.571 4.011 117 HA PHE 32 HA PHE 32 -6.050 8.799 5.655 118 HB2 PHE 32 HB2 PHE 32 -6.683 8.846 2.818 119 HB3 PHE 32 HB1 PHE 32 -5.513 10.084 3.253 120 HD1 PHE 32 HD1 PHE 32 -6.036 6.625 2.566 121 HD2 PHE 32 HD2 PHE 32 -3.435 9.367 4.514 122 HE1 PHE 32 HE1 PHE 32 -4.244 4.940 2.540 123 HE2 PHE 32 HE2 PHE 32 -1.637 7.687 4.493 124 HZ PHE 32 HZ PHE 32 -2.041 5.467 3.502 125 H LYS 33 HN LYS 33 -5.960 10.408 7.069 126 HA LYS 33 HA LYS 33 -6.910 13.062 6.292 127 HB2 LYS 33 HB2 LYS 33 -7.645 12.200 8.478 128 HB3 LYS 33 HB1 LYS 33 -5.965 12.015 8.970 129 HG2 LYS 33 HG2 LYS 33 -5.741 14.186 9.475 130 HG3 LYS 33 HG1 LYS 33 -6.682 14.716 8.074 131 HD2 LYS 33 HD2 LYS 33 -7.974 13.431 10.467 132 HD3 LYS 33 HD1 LYS 33 -7.657 15.170 10.398 133 HE2 LYS 33 HE2 LYS 33 -9.046 15.399 8.454 134 HE3 LYS 33 HE1 LYS 33 -9.216 13.650 8.304 135 HZ1 LYS 33 HZ1 LYS 33 -11.166 14.744 9.298 136 HZ2 LYS 33 HZ2 LYS 33 -10.211 15.245 10.598 137 HZ3 LYS 33 HZ3 LYS 33 -10.466 13.596 10.327 138 H ILE 34 HN ILE 34 -5.314 13.725 4.885 139 HA ILE 34 HA ILE 34 -2.678 14.157 6.121 140 HB ILE 34 HB ILE 34 -1.487 13.467 4.245 141 HG12 ILE 34 HG12 ILE 34 -4.023 13.421 2.598 142 HG13 ILE 34 HG11 ILE 34 -2.866 14.749 2.611 143 HG21 ILE 34 HG21 ILE 34 -1.943 11.248 4.119 144 HG22 ILE 34 HG22 ILE 34 -3.655 11.506 3.782 145 HG23 ILE 34 HG23 ILE 34 -3.050 11.664 5.430 146 HD11 ILE 34 HD11 ILE 34 -2.545 13.323 0.679 147 HD12 ILE 34 HD12 ILE 34 -2.299 11.932 1.735 148 HD13 ILE 34 HD13 ILE 34 -1.142 13.263 1.748 149 H LYS 35 HN LYS 35 -1.376 15.733 4.604 150 HA LYS 35 HA LYS 35 -3.055 18.100 4.299 151 HB2 LYS 35 HB2 LYS 35 -0.049 17.912 4.038 152 HB3 LYS 35 HB1 LYS 35 -1.010 19.368 4.253 153 HG2 LYS 35 HG2 LYS 35 -0.923 17.189 6.311 154 HG3 LYS 35 HG1 LYS 35 0.250 18.506 6.275 155 HD2 LYS 35 HD2 LYS 35 -1.779 20.063 6.276 156 HD3 LYS 35 HD1 LYS 35 -2.715 18.639 6.735 157 HE2 LYS 35 HE2 LYS 35 -2.123 19.766 8.745 158 HE3 LYS 35 HE1 LYS 35 -1.122 18.320 8.644 159 HZ1 LYS 35 HZ1 LYS 35 0.720 19.661 7.867 160 HZ2 LYS 35 HZ2 LYS 35 0.137 20.281 9.331 161 HZ3 LYS 35 HZ3 LYS 35 -0.249 21.053 7.878 162 H ARG 36 HN ARG 36 -2.449 19.535 2.341 163 HA ARG 36 HA ARG 36 -2.680 17.837 -0.007 164 HB2 ARG 36 HB2 ARG 36 -3.002 20.808 0.393 165 HB3 ARG 36 HB1 ARG 36 -3.127 20.026 -1.180 166 HG2 ARG 36 HG2 ARG 36 -5.008 18.716 -0.427 167 HG3 ARG 36 HG1 ARG 36 -4.844 19.366 1.205 168 HD2 ARG 36 HD2 ARG 36 -6.626 20.531 0.122 169 HD3 ARG 36 HD1 ARG 36 -5.261 21.635 0.266 170 HE ARG 36 HE ARG 36 -4.831 21.299 -2.093 171 HH11 ARG 36 HH11 ARG 36 -7.939 20.167 -0.889 172 HH12 ARG 36 HH12 ARG 36 -8.720 20.231 -2.517 173 HH21 ARG 36 HH21 ARG 36 -5.789 21.405 -4.158 174 HH22 ARG 36 HH22 ARG 36 -7.532 20.929 -4.335 175 H HIS 37 HN HIS 37 -0.110 19.020 1.636 176 HA HIS 37 HA HIS 37 1.425 19.477 -0.832 177 HB2 HIS 37 HB2 HIS 37 2.795 21.000 0.244 178 HB3 HIS 37 HB1 HIS 37 1.261 21.296 1.050 179 HD2 HIS 37 HD2 HIS 37 1.092 19.932 3.635 180 HE1 HIS 37 HE1 HIS 37 5.292 20.037 4.087 181 HE2 HIS 37 HE2 HIS 37 3.104 19.387 5.180 182 H THR 38 HN THR 38 1.183 17.543 2.045 183 HA THR 38 HA THR 38 3.742 16.402 2.089 184 HB THR 38 HB THR 38 1.300 14.856 2.897 185 HG1 THR 38 HG1 THR 38 2.413 16.828 4.606 186 HG21 THR 38 HG21 THR 38 3.521 13.851 3.227 187 HG22 THR 38 HG22 THR 38 2.729 14.186 4.766 188 HG23 THR 38 HG23 THR 38 4.008 15.252 4.183 189 HA PRO 39 HA PRO 39 3.780 14.072 -1.724 190 HB2 PRO 39 HB2 PRO 39 5.660 12.389 -0.137 191 HB3 PRO 39 HB1 PRO 39 5.866 13.100 -1.745 192 HG2 PRO 39 HG2 PRO 39 7.096 14.160 0.343 193 HG3 PRO 39 HG1 PRO 39 6.389 15.188 -0.920 194 HD2 PRO 39 HD2 PRO 39 5.381 14.621 1.823 195 HD3 PRO 39 HD1 PRO 39 5.292 16.114 0.866 196 H LEU 40 HN LEU 40 2.895 12.236 -2.536 197 HA LEU 40 HA LEU 40 1.119 10.774 -0.854 198 HB2 LEU 40 HB2 LEU 40 1.912 10.394 -3.740 199 HB3 LEU 40 HB1 LEU 40 0.650 9.473 -2.943 200 HG LEU 40 HG LEU 40 0.611 12.475 -3.271 201 HD11 LEU 40 HD11 LEU 40 -1.058 12.100 -5.000 202 HD12 LEU 40 HD12 LEU 40 -0.847 10.356 -4.842 203 HD13 LEU 40 HD13 LEU 40 0.480 11.355 -5.438 204 HD21 LEU 40 HD21 LEU 40 -1.481 10.506 -2.357 205 HD22 LEU 40 HD22 LEU 40 -1.761 12.219 -2.663 206 HD23 LEU 40 HD23 LEU 40 -0.676 11.724 -1.366 207 H SER 41 HN SER 41 4.383 10.464 -1.428 208 HA SER 41 HA SER 41 4.786 7.700 -1.546 209 HB2 SER 41 HB2 SER 41 6.732 9.227 0.052 210 HB3 SER 41 HB1 SER 41 6.977 8.284 -1.420 211 HG SER 41 HG SER 41 7.144 10.188 -2.319 212 H LYS 42 HN LYS 42 4.295 9.907 1.157 213 HA LYS 42 HA LYS 42 4.718 8.004 3.221 214 HB2 LYS 42 HB2 LYS 42 3.576 10.741 3.032 215 HB3 LYS 42 HB1 LYS 42 3.094 9.781 4.422 216 HG2 LYS 42 HG2 LYS 42 5.560 9.401 4.847 217 HG3 LYS 42 HG1 LYS 42 5.856 10.654 3.641 218 HD2 LYS 42 HD2 LYS 42 4.546 12.243 4.952 219 HD3 LYS 42 HD1 LYS 42 4.210 10.993 6.154 220 HE2 LYS 42 HE2 LYS 42 6.754 10.799 6.383 221 HE3 LYS 42 HE1 LYS 42 6.831 12.319 5.497 222 HZ1 LYS 42 HZ1 LYS 42 5.698 11.798 8.174 223 HZ2 LYS 42 HZ2 LYS 42 5.204 13.145 7.273 224 HZ3 LYS 42 HZ3 LYS 42 6.834 12.976 7.707 225 H LEU 43 HN LEU 43 1.955 9.026 1.338 226 HA LEU 43 HA LEU 43 -0.075 7.775 2.820 227 HB2 LEU 43 HB2 LEU 43 -0.423 9.491 1.055 228 HB3 LEU 43 HB1 LEU 43 -0.003 8.292 -0.152 229 HG LEU 43 HG LEU 43 -2.201 7.543 1.671 230 HD11 LEU 43 HD11 LEU 43 -2.752 9.864 1.380 231 HD12 LEU 43 HD12 LEU 43 -3.830 8.891 0.380 232 HD13 LEU 43 HD13 LEU 43 -2.479 9.753 -0.358 233 HD21 LEU 43 HD21 LEU 43 -1.832 7.432 -1.323 234 HD22 LEU 43 HD22 LEU 43 -3.158 6.701 -0.418 235 HD23 LEU 43 HD23 LEU 43 -1.509 6.122 -0.187 236 H MET 44 HN MET 44 1.782 6.665 0.023 237 HA MET 44 HA MET 44 0.547 4.140 -0.184 238 HB2 MET 44 HB2 MET 44 3.288 5.060 -1.065 239 HB3 MET 44 HB1 MET 44 2.567 3.522 -1.517 240 HG2 MET 44 HG2 MET 44 0.684 4.807 -2.544 241 HG3 MET 44 HG1 MET 44 1.606 6.278 -2.245 242 HE1 MET 44 HE1 MET 44 3.683 7.021 -3.518 243 HE2 MET 44 HE2 MET 44 4.622 5.998 -4.604 244 HE3 MET 44 HE3 MET 44 4.566 5.636 -2.878 245 H LYS 45 HN LYS 45 3.347 5.282 1.610 246 HA LYS 45 HA LYS 45 4.235 2.725 2.467 247 HB2 LYS 45 HB2 LYS 45 5.369 5.129 2.442 248 HB3 LYS 45 HB1 LYS 45 4.780 5.156 4.096 249 HG2 LYS 45 HG2 LYS 45 6.080 3.289 4.700 250 HG3 LYS 45 HG1 LYS 45 6.436 2.902 3.016 251 HD2 LYS 45 HD2 LYS 45 7.364 5.378 4.471 252 HD3 LYS 45 HD1 LYS 45 8.346 3.947 4.160 253 HE2 LYS 45 HE2 LYS 45 7.786 4.336 1.686 254 HE3 LYS 45 HE1 LYS 45 7.257 5.938 2.194 255 HZ1 LYS 45 HZ1 LYS 45 9.465 6.347 3.087 256 HZ2 LYS 45 HZ2 LYS 45 9.553 5.948 1.444 257 HZ3 LYS 45 HZ3 LYS 45 9.970 4.799 2.616 258 H ALA 46 HN ALA 46 2.119 5.169 3.903 259 HA ALA 46 HA ALA 46 1.841 4.051 6.447 260 HB1 ALA 46 HB1 ALA 46 1.090 6.300 5.910 261 HB2 ALA 46 HB2 ALA 46 -0.219 5.354 6.617 262 HB3 ALA 46 HB3 ALA 46 -0.180 5.644 4.878 263 H TYR 47 HN TYR 47 -0.216 3.597 3.568 264 HA TYR 47 HA TYR 47 -1.934 1.727 4.830 265 HB2 TYR 47 HB2 TYR 47 -2.630 2.999 2.853 266 HB3 TYR 47 HB1 TYR 47 -1.413 2.176 1.881 267 HD1 TYR 47 HD1 TYR 47 -1.979 0.223 0.739 268 HD2 TYR 47 HD2 TYR 47 -4.420 1.504 3.979 269 HE1 TYR 47 HE1 TYR 47 -3.597 -1.548 0.212 270 HE2 TYR 47 HE2 TYR 47 -6.047 -0.265 3.459 271 HH TYR 47 HH TYR 47 -6.722 -1.675 1.607 272 H CYS 48 HN CYS 48 1.075 1.460 3.090 273 HA CYS 48 HA CYS 48 1.080 -1.296 2.574 274 HB2 CYS 48 HB2 CYS 48 2.684 0.409 1.654 275 HB3 CYS 48 HB1 CYS 48 3.488 0.411 3.218 276 HG CYS 48 HG CYS 48 3.825 -2.533 2.913 277 H GLU 49 HN GLU 49 2.319 0.555 5.337 278 HA GLU 49 HA GLU 49 3.192 -1.733 6.788 279 HB2 GLU 49 HB2 GLU 49 2.647 1.123 7.601 280 HB3 GLU 49 HB1 GLU 49 3.251 -0.090 8.720 281 HG2 GLU 49 HG2 GLU 49 4.613 0.918 6.235 282 HG3 GLU 49 HG1 GLU 49 5.086 1.210 7.908 283 H ARG 50 HN ARG 50 0.205 0.032 6.559 284 HA ARG 50 HA ARG 50 -1.081 -0.912 8.876 285 HB2 ARG 50 HB2 ARG 50 -1.761 0.963 7.268 286 HB3 ARG 50 HB1 ARG 50 -2.452 -0.302 6.263 287 HG2 ARG 50 HG2 ARG 50 -4.181 -0.685 7.699 288 HG3 ARG 50 HG1 ARG 50 -3.262 -0.184 9.125 289 HD2 ARG 50 HD2 ARG 50 -4.212 1.678 6.961 290 HD3 ARG 50 HD1 ARG 50 -5.053 1.401 8.488 291 HE ARG 50 HE ARG 50 -2.409 2.667 8.194 292 HH11 ARG 50 HH11 ARG 50 -5.335 1.989 10.018 293 HH12 ARG 50 HH12 ARG 50 -4.884 3.110 11.362 294 HH21 ARG 50 HH21 ARG 50 -2.919 4.284 11.294 295 HH22 ARG 50 HH22 ARG 50 -1.803 4.114 9.886 296 H GLN 51 HN GLN 51 -0.969 -2.165 5.568 297 HA GLN 51 HA GLN 51 -2.564 -4.482 6.248 298 HB2 GLN 51 HB2 GLN 51 -1.185 -3.558 3.732 299 HB3 GLN 51 HB1 GLN 51 -1.914 -5.154 3.852 300 HG2 GLN 51 HG2 GLN 51 -3.546 -2.770 4.562 301 HG3 GLN 51 HG1 GLN 51 -3.242 -3.132 2.865 302 HE21 GLN 51 HE21 GLN 51 -5.457 -3.514 2.566 303 HE22 GLN 51 HE22 GLN 51 -6.203 -4.986 3.098 304 H GLY 52 HN GLY 52 0.744 -3.605 6.257 305 HA2 GLY 52 HA2 GLY 52 2.600 -4.784 6.936 306 HA3 GLY 52 HA1 GLY 52 1.529 -6.114 7.356 307 H LEU 53 HN LEU 53 2.192 -4.507 4.265 308 HA LEU 53 HA LEU 53 3.037 -7.115 3.191 309 HB2 LEU 53 HB2 LEU 53 1.465 -4.961 1.770 310 HB3 LEU 53 HB1 LEU 53 2.037 -6.449 1.040 311 HG LEU 53 HG LEU 53 0.012 -6.265 3.273 312 HD11 LEU 53 HD11 LEU 53 -1.571 -7.051 1.545 313 HD12 LEU 53 HD12 LEU 53 -0.306 -6.847 0.331 314 HD13 LEU 53 HD13 LEU 53 -0.924 -5.445 1.209 315 HD21 LEU 53 HD21 LEU 53 1.170 -8.319 3.508 316 HD22 LEU 53 HD22 LEU 53 1.166 -8.600 1.767 317 HD23 LEU 53 HD23 LEU 53 -0.341 -8.688 2.676 318 H SER 54 HN SER 54 4.209 -6.750 1.010 319 HA SER 54 HA SER 54 6.442 -5.005 1.533 320 HB2 SER 54 HB2 SER 54 6.892 -7.198 0.582 321 HB3 SER 54 HB1 SER 54 5.820 -6.872 -0.775 322 HG SER 54 HG SER 54 7.755 -6.410 -1.598 323 H MET 55 HN MET 55 6.796 -3.041 0.678 324 HA MET 55 HA MET 55 4.733 -1.644 -0.641 325 HB2 MET 55 HB2 MET 55 6.570 -0.682 0.827 326 HB3 MET 55 HB1 MET 55 7.630 -0.814 -0.571 327 HG2 MET 55 HG2 MET 55 6.202 0.677 -1.831 328 HG3 MET 55 HG1 MET 55 5.067 0.763 -0.486 329 HE1 MET 55 HE1 MET 55 5.065 3.251 -0.678 330 HE2 MET 55 HE2 MET 55 6.367 3.492 -1.845 331 HE3 MET 55 HE3 MET 55 6.403 4.331 -0.294 332 H ARG 56 HN ARG 56 7.031 -3.794 -1.880 333 HA ARG 56 HA ARG 56 6.987 -2.546 -4.527 334 HB2 ARG 56 HB2 ARG 56 9.137 -3.417 -3.515 335 HB3 ARG 56 HB1 ARG 56 8.484 -5.037 -3.710 336 HG2 ARG 56 HG2 ARG 56 8.366 -4.741 -6.106 337 HG3 ARG 56 HG1 ARG 56 8.916 -3.075 -5.949 338 HD2 ARG 56 HD2 ARG 56 11.054 -3.796 -5.132 339 HD3 ARG 56 HD1 ARG 56 10.513 -5.472 -5.072 340 HE ARG 56 HE ARG 56 10.717 -5.613 -7.385 341 HH11 ARG 56 HH11 ARG 56 12.118 -1.830 -7.788 342 HH12 ARG 56 HH12 ARG 56 11.337 -2.338 -6.246 343 HH21 ARG 56 HH21 ARG 56 12.322 -3.321 -9.524 344 HH22 ARG 56 HH22 ARG 56 11.692 -5.004 -9.353 345 H GLN 57 HN GLN 57 5.101 -4.638 -2.796 346 HA GLN 57 HA GLN 57 4.470 -6.322 -5.115 347 HB2 GLN 57 HB2 GLN 57 4.865 -7.357 -2.851 348 HB3 GLN 57 HB1 GLN 57 3.376 -6.591 -2.318 349 HG2 GLN 57 HG2 GLN 57 2.068 -7.875 -3.808 350 HG3 GLN 57 HG1 GLN 57 3.492 -8.446 -4.674 351 HE21 GLN 57 HE21 GLN 57 1.326 -9.918 -3.342 352 HE22 GLN 57 HE22 GLN 57 2.112 -10.959 -2.203 353 H ILE 58 HN ILE 58 3.315 -3.596 -3.417 354 HA ILE 58 HA ILE 58 0.627 -3.943 -4.545 355 HB ILE 58 HB ILE 58 0.070 -1.915 -3.103 356 HG12 ILE 58 HG12 ILE 58 2.762 -2.651 -1.929 357 HG13 ILE 58 HG11 ILE 58 2.314 -1.112 -2.657 358 HG21 ILE 58 HG21 ILE 58 -0.652 -4.162 -2.547 359 HG22 ILE 58 HG22 ILE 58 -0.180 -3.296 -1.083 360 HG23 ILE 58 HG23 ILE 58 0.904 -4.499 -1.785 361 HD11 ILE 58 HD11 ILE 58 1.389 -2.269 -0.048 362 HD12 ILE 58 HD12 ILE 58 0.607 -0.890 -0.815 363 HD13 ILE 58 HD13 ILE 58 2.298 -0.781 -0.328 364 H ARG 59 HN ARG 59 -0.373 -2.237 -5.700 365 HA ARG 59 HA ARG 59 1.463 -0.226 -6.822 366 HB2 ARG 59 HB2 ARG 59 -0.489 -1.956 -8.351 367 HB3 ARG 59 HB1 ARG 59 0.322 -0.552 -9.029 368 HG2 ARG 59 HG2 ARG 59 1.686 -3.024 -7.983 369 HG3 ARG 59 HG1 ARG 59 1.392 -2.650 -9.682 370 HD2 ARG 59 HD2 ARG 59 2.759 -0.609 -9.437 371 HD3 ARG 59 HD1 ARG 59 3.099 -1.061 -7.767 372 HE ARG 59 HE ARG 59 4.197 -2.261 -10.173 373 HH11 ARG 59 HH11 ARG 59 5.116 -3.609 -6.468 374 HH12 ARG 59 HH12 ARG 59 3.765 -2.427 -6.685 375 HH21 ARG 59 HH21 ARG 59 5.948 -3.699 -9.932 376 HH22 ARG 59 HH22 ARG 59 6.346 -4.317 -8.284 377 H PHE 60 HN PHE 60 0.677 1.759 -6.561 378 HA PHE 60 HA PHE 60 -2.173 2.068 -5.961 379 HB2 PHE 60 HB2 PHE 60 0.208 3.866 -5.497 380 HB3 PHE 60 HB1 PHE 60 -1.451 4.393 -5.244 381 HD1 PHE 60 HD1 PHE 60 0.962 1.757 -4.209 382 HD2 PHE 60 HD2 PHE 60 -2.468 4.066 -3.193 383 HE1 PHE 60 HE1 PHE 60 1.022 0.841 -1.931 384 HE2 PHE 60 HE2 PHE 60 -2.409 3.148 -0.913 385 HZ PHE 60 HZ PHE 60 -0.662 1.535 -0.282 386 H ARG 61 HN ARG 61 -3.536 3.137 -7.269 387 HA ARG 61 HA ARG 61 -2.380 4.565 -9.573 388 HB2 ARG 61 HB2 ARG 61 -4.657 2.590 -9.555 389 HB3 ARG 61 HB1 ARG 61 -4.433 3.747 -10.859 390 HG2 ARG 61 HG2 ARG 61 -2.101 2.797 -11.118 391 HG3 ARG 61 HG1 ARG 61 -2.619 1.499 -10.040 392 HD2 ARG 61 HD2 ARG 61 -4.365 0.864 -11.575 393 HD3 ARG 61 HD1 ARG 61 -4.000 2.238 -12.617 394 HE ARG 61 HE ARG 61 -2.245 -0.098 -12.200 395 HH11 ARG 61 HH11 ARG 61 -2.248 2.231 -15.508 396 HH12 ARG 61 HH12 ARG 61 -3.360 2.625 -14.145 397 HH21 ARG 61 HH21 ARG 61 -0.847 -0.622 -13.923 398 HH22 ARG 61 HH22 ARG 61 -0.854 0.427 -15.391 399 H PHE 62 HN PHE 62 -3.229 6.486 -10.057 400 HA PHE 62 HA PHE 62 -5.577 7.370 -8.506 401 HB2 PHE 62 HB2 PHE 62 -3.664 8.556 -7.670 402 HB3 PHE 62 HB1 PHE 62 -3.081 8.887 -9.296 403 HD1 PHE 62 HD1 PHE 62 -6.017 9.551 -7.098 404 HD2 PHE 62 HD2 PHE 62 -3.517 10.935 -10.248 405 HE1 PHE 62 HE1 PHE 62 -7.211 11.704 -7.095 406 HE2 PHE 62 HE2 PHE 62 -4.701 13.090 -10.251 407 HZ PHE 62 HZ PHE 62 -6.550 13.477 -8.674 408 H ASP 63 HN ASP 63 -7.264 7.683 -9.753 409 HA ASP 63 HA ASP 63 -8.632 8.312 -11.438 410 HB2 ASP 63 HB2 ASP 63 -7.310 10.414 -11.501 411 HB3 ASP 63 HB1 ASP 63 -6.241 9.673 -12.687 412 H GLY 64 HN GLY 64 -5.499 7.104 -12.499 413 HA2 GLY 64 HA2 GLY 64 -6.563 4.882 -13.828 414 HA3 GLY 64 HA1 GLY 64 -6.292 6.149 -15.017 415 H GLN 65 HN GLN 65 -4.011 7.309 -13.866 416 HA GLN 65 HA GLN 65 -2.035 5.367 -14.714 417 HB2 GLN 65 HB2 GLN 65 -1.881 8.297 -14.020 418 HB3 GLN 65 HB1 GLN 65 -0.482 7.339 -14.488 419 HG2 GLN 65 HG2 GLN 65 -2.917 7.575 -16.223 420 HG3 GLN 65 HG1 GLN 65 -1.588 8.729 -16.290 421 HE21 GLN 65 HE21 GLN 65 0.386 8.094 -17.097 422 HE22 GLN 65 HE22 GLN 65 0.599 6.633 -17.998 423 HA PRO 66 HA PRO 66 -0.597 4.312 -10.659 424 HB2 PRO 66 HB2 PRO 66 2.148 4.186 -11.675 425 HB3 PRO 66 HB1 PRO 66 1.108 2.873 -11.110 426 HG2 PRO 66 HG2 PRO 66 1.769 3.147 -13.701 427 HG3 PRO 66 HG1 PRO 66 0.207 2.491 -13.176 428 HD2 PRO 66 HD2 PRO 66 0.855 5.228 -14.186 429 HD3 PRO 66 HD1 PRO 66 -0.555 4.202 -14.520 430 H ILE 67 HN ILE 67 0.352 5.257 -8.881 431 HA ILE 67 HA ILE 67 1.141 8.031 -9.186 432 HB ILE 67 HB ILE 67 0.985 6.418 -6.633 433 HG12 ILE 67 HG12 ILE 67 -1.159 8.106 -7.948 434 HG13 ILE 67 HG11 ILE 67 -1.164 6.348 -7.845 435 HG21 ILE 67 HG21 ILE 67 0.847 9.392 -7.120 436 HG22 ILE 67 HG22 ILE 67 2.226 8.515 -6.456 437 HG23 ILE 67 HG23 ILE 67 0.710 8.588 -5.556 438 HD11 ILE 67 HD11 ILE 67 -1.354 8.294 -5.560 439 HD12 ILE 67 HD12 ILE 67 -1.231 6.543 -5.384 440 HD13 ILE 67 HD13 ILE 67 -2.632 7.252 -6.188 441 H ASN 68 HN ASN 68 3.117 8.916 -8.695 442 HA ASN 68 HA ASN 68 5.354 7.027 -8.587 443 HB2 ASN 68 HB2 ASN 68 4.983 9.799 -9.572 444 HB3 ASN 68 HB1 ASN 68 6.542 9.455 -8.828 445 HD21 ASN 68 HD21 ASN 68 5.476 9.903 -11.663 446 HD22 ASN 68 HD22 ASN 68 6.216 8.630 -12.573 447 H GLU 69 HN GLU 69 7.158 7.490 -7.116 448 HA GLU 69 HA GLU 69 6.207 8.001 -4.464 449 HB2 GLU 69 HB2 GLU 69 8.977 7.462 -5.539 450 HB3 GLU 69 HB1 GLU 69 8.615 7.647 -3.828 451 HG2 GLU 69 HG2 GLU 69 7.029 5.730 -4.033 452 HG3 GLU 69 HG1 GLU 69 7.615 5.501 -5.681 453 H THR 70 HN THR 70 6.724 10.178 -6.736 454 HA THR 70 HA THR 70 7.822 12.149 -4.848 455 HB THR 70 HB THR 70 8.176 12.832 -7.671 456 HG1 THR 70 HG1 THR 70 10.105 11.288 -7.643 457 HG21 THR 70 HG21 THR 70 9.184 14.093 -5.838 458 HG22 THR 70 HG22 THR 70 10.431 13.403 -6.874 459 HG23 THR 70 HG23 THR 70 10.066 12.657 -5.319 460 H ASP 71 HN ASP 71 5.050 11.210 -6.016 461 HA ASP 71 HA ASP 71 4.090 13.711 -7.144 462 HB2 ASP 71 HB2 ASP 71 2.942 10.973 -6.794 463 HB3 ASP 71 HB1 ASP 71 1.845 12.333 -7.005 464 H THR 72 HN THR 72 2.504 15.009 -6.225 465 HA THR 72 HA THR 72 1.938 14.537 -3.376 466 HB THR 72 HB THR 72 2.039 16.954 -2.970 467 HG1 THR 72 HG1 THR 72 3.216 18.084 -4.892 468 HG21 THR 72 HG21 THR 72 4.510 15.761 -4.218 469 HG22 THR 72 HG22 THR 72 4.084 15.825 -2.508 470 HG23 THR 72 HG23 THR 72 4.508 17.303 -3.369 471 HA PRO 73 HA PRO 73 -2.367 15.028 -4.268 472 HB2 PRO 73 HB2 PRO 73 -2.497 17.176 -2.210 473 HB3 PRO 73 HB1 PRO 73 -3.436 15.681 -2.337 474 HG2 PRO 73 HG2 PRO 73 -1.506 15.906 -0.523 475 HG3 PRO 73 HG1 PRO 73 -1.777 14.382 -1.391 476 HD2 PRO 73 HD2 PRO 73 0.356 16.423 -1.793 477 HD3 PRO 73 HD1 PRO 73 0.444 14.655 -1.918 478 H ALA 74 HN ALA 74 -0.558 18.032 -3.813 479 HA ALA 74 HA ALA 74 -2.393 19.635 -5.300 480 HB1 ALA 74 HB1 ALA 74 -0.670 21.369 -5.126 481 HB2 ALA 74 HB2 ALA 74 0.455 20.177 -4.476 482 HB3 ALA 74 HB3 ALA 74 -0.994 20.604 -3.569 483 H GLN 75 HN GLN 75 0.637 17.968 -6.035 484 HA GLN 75 HA GLN 75 1.090 19.070 -8.579 485 HB2 GLN 75 HB2 GLN 75 2.781 17.786 -7.342 486 HB3 GLN 75 HB1 GLN 75 1.821 16.326 -7.534 487 HG2 GLN 75 HG2 GLN 75 3.463 16.144 -9.162 488 HG3 GLN 75 HG1 GLN 75 2.052 16.728 -10.043 489 HE21 GLN 75 HE21 GLN 75 3.128 17.705 -11.674 490 HE22 GLN 75 HE22 GLN 75 4.143 19.091 -11.466 491 H LEU 76 HN LEU 76 -0.738 16.214 -7.571 492 HA LEU 76 HA LEU 76 -1.491 15.644 -10.315 493 HB2 LEU 76 HB2 LEU 76 -2.115 14.276 -7.706 494 HB3 LEU 76 HB1 LEU 76 -2.766 13.753 -9.246 495 HG LEU 76 HG LEU 76 0.163 13.841 -8.518 496 HD11 LEU 76 HD11 LEU 76 -1.736 11.524 -8.851 497 HD12 LEU 76 HD12 LEU 76 -1.025 12.082 -7.338 498 HD13 LEU 76 HD13 LEU 76 0.004 11.396 -8.595 499 HD21 LEU 76 HD21 LEU 76 -1.265 12.967 -11.024 500 HD22 LEU 76 HD22 LEU 76 0.402 12.542 -10.645 501 HD23 LEU 76 HD23 LEU 76 -0.045 14.233 -10.859 502 H GLU 77 HN GLU 77 -2.507 17.847 -8.190 503 HA GLU 77 HA GLU 77 -4.385 19.055 -7.835 504 HB2 GLU 77 HB2 GLU 77 -4.904 17.985 -10.599 505 HB3 GLU 77 HB1 GLU 77 -6.015 19.099 -9.813 506 HG2 GLU 77 HG2 GLU 77 -4.109 20.686 -9.545 507 HG3 GLU 77 HG1 GLU 77 -3.137 19.593 -10.529 508 H MET 78 HN MET 78 -4.499 16.938 -6.344 509 HA MET 78 HA MET 78 -6.946 15.439 -6.776 510 HB2 MET 78 HB2 MET 78 -5.141 15.407 -4.353 511 HB3 MET 78 HB1 MET 78 -6.338 14.201 -4.805 512 HG2 MET 78 HG2 MET 78 -5.035 13.518 -6.686 513 HG3 MET 78 HG1 MET 78 -3.897 14.842 -6.440 514 HE1 MET 78 HE1 MET 78 -5.070 11.329 -5.456 515 HE2 MET 78 HE2 MET 78 -5.560 12.159 -3.980 516 HE3 MET 78 HE3 MET 78 -4.233 10.999 -3.940 517 H GLU 79 HN GLU 79 -8.811 15.645 -5.536 518 HA GLU 79 HA GLU 79 -8.912 18.106 -3.925 519 HB2 GLU 79 HB2 GLU 79 -10.646 17.101 -6.030 520 HB3 GLU 79 HB1 GLU 79 -11.536 17.480 -4.560 521 HG2 GLU 79 HG2 GLU 79 -9.991 19.277 -6.361 522 HG3 GLU 79 HG1 GLU 79 -11.608 19.481 -5.690 523 H ASP 80 HN ASP 80 -10.887 18.049 -2.408 524 HA ASP 80 HA ASP 80 -10.400 16.051 -0.474 525 HB2 ASP 80 HB2 ASP 80 -11.414 18.448 -0.229 526 HB3 ASP 80 HB1 ASP 80 -12.947 17.644 -0.545 527 H GLU 81 HN GLU 81 -11.383 14.170 -0.046 528 HA GLU 81 HA GLU 81 -12.671 12.330 -0.235 529 HB2 GLU 81 HB2 GLU 81 -14.563 14.244 -1.588 530 HB3 GLU 81 HB1 GLU 81 -14.939 12.543 -1.359 531 HG2 GLU 81 HG2 GLU 81 -14.366 13.038 1.131 532 HG3 GLU 81 HG1 GLU 81 -14.672 14.711 0.665 533 H ASP 82 HN ASP 82 -10.600 12.903 -2.122 534 HA ASP 82 HA ASP 82 -11.501 11.997 -4.704 535 HB2 ASP 82 HB2 ASP 82 -9.313 13.402 -3.973 536 HB3 ASP 82 HB1 ASP 82 -8.618 11.783 -4.013 537 H THR 83 HN THR 83 -10.326 9.978 -5.666 538 HA THR 83 HA THR 83 -10.361 7.866 -3.606 539 HB THR 83 HB THR 83 -11.376 7.410 -6.404 540 HG1 THR 83 HG1 THR 83 -12.554 8.804 -4.362 541 HG21 THR 83 HG21 THR 83 -12.528 5.521 -5.348 542 HG22 THR 83 HG22 THR 83 -11.849 5.972 -3.786 543 HG23 THR 83 HG23 THR 83 -10.786 5.428 -5.083 544 H ILE 84 HN ILE 84 -8.799 6.398 -3.649 545 HA ILE 84 HA ILE 84 -6.971 6.292 -5.965 546 HB ILE 84 HB ILE 84 -6.130 5.964 -3.080 547 HG12 ILE 84 HG12 ILE 84 -5.663 8.367 -4.857 548 HG13 ILE 84 HG11 ILE 84 -6.862 8.301 -3.570 549 HG21 ILE 84 HG21 ILE 84 -3.853 6.189 -4.006 550 HG22 ILE 84 HG22 ILE 84 -4.544 6.221 -5.629 551 HG23 ILE 84 HG23 ILE 84 -4.712 4.778 -4.625 552 HD11 ILE 84 HD11 ILE 84 -3.870 8.153 -3.287 553 HD12 ILE 84 HD12 ILE 84 -5.004 7.883 -1.964 554 HD13 ILE 84 HD13 ILE 84 -4.938 9.454 -2.761 555 H ASP 85 HN ASP 85 -6.376 4.218 -6.592 556 HA ASP 85 HA ASP 85 -7.678 2.049 -5.086 557 HB2 ASP 85 HB2 ASP 85 -8.149 2.634 -7.656 558 HB3 ASP 85 HB1 ASP 85 -6.762 1.566 -7.868 559 H VAL 86 HN VAL 86 -6.592 0.030 -4.904 560 HA VAL 86 HA VAL 86 -3.666 0.185 -5.187 561 HB VAL 86 HB VAL 86 -5.051 -1.079 -2.816 562 HG11 VAL 86 HG11 VAL 86 -2.813 -1.151 -1.862 563 HG12 VAL 86 HG12 VAL 86 -2.155 -0.402 -3.317 564 HG13 VAL 86 HG13 VAL 86 -2.866 -2.013 -3.398 565 HG21 VAL 86 HG21 VAL 86 -4.255 0.829 -1.500 566 HG22 VAL 86 HG22 VAL 86 -5.405 1.327 -2.742 567 HG23 VAL 86 HG23 VAL 86 -3.679 1.602 -2.977 568 H PHE 87 HN PHE 87 -3.128 -1.311 -6.604 569 HA PHE 87 HA PHE 87 -4.586 -3.866 -6.622 570 HB2 PHE 87 HB2 PHE 87 -2.878 -2.575 -8.763 571 HB3 PHE 87 HB1 PHE 87 -3.641 -4.157 -8.903 572 HD1 PHE 87 HD1 PHE 87 -6.196 -4.242 -8.678 573 HD2 PHE 87 HD2 PHE 87 -4.012 -0.670 -9.422 574 HE1 PHE 87 HE1 PHE 87 -8.237 -3.180 -9.557 575 HE2 PHE 87 HE2 PHE 87 -6.044 0.400 -10.300 576 HZ PHE 87 HZ PHE 87 -8.162 -0.858 -10.368 577 H GLN 88 HN GLN 88 -3.021 -5.696 -7.488 578 HA GLN 88 HA GLN 88 -0.564 -5.520 -5.874 579 HB2 GLN 88 HB2 GLN 88 -2.545 -7.726 -6.228 580 HB3 GLN 88 HB1 GLN 88 -0.856 -8.149 -5.972 581 HG2 GLN 88 HG2 GLN 88 -1.256 -6.310 -4.011 582 HG3 GLN 88 HG1 GLN 88 -2.837 -7.083 -4.103 583 HE21 GLN 88 HE21 GLN 88 -2.596 -8.045 -2.083 584 HE22 GLN 88 HE22 GLN 88 -1.517 -9.369 -1.819 585 H GLN 89 HN GLN 89 1.275 -6.588 -6.630 586 HA GLN 89 HA GLN 89 1.603 -6.434 -9.479 587 HB2 GLN 89 HB2 GLN 89 3.368 -5.651 -7.983 588 HB3 GLN 89 HB1 GLN 89 3.516 -7.253 -7.279 589 HG2 GLN 89 HG2 GLN 89 5.313 -6.757 -8.858 590 HG3 GLN 89 HG1 GLN 89 4.344 -8.136 -9.367 591 HE21 GLN 89 HE21 GLN 89 4.970 -7.925 -11.495 592 HE22 GLN 89 HE22 GLN 89 4.387 -6.653 -12.513 593 H GLN 90 HN GLN 90 1.888 -8.058 -10.905 594 HA GLN 90 HA GLN 90 0.751 -10.576 -10.362 595 HB2 GLN 90 HB2 GLN 90 2.429 -9.586 -12.675 596 HB3 GLN 90 HB1 GLN 90 1.693 -11.181 -12.630 597 HG2 GLN 90 HG2 GLN 90 0.278 -9.801 -13.922 598 HG3 GLN 90 HG1 GLN 90 -0.529 -10.061 -12.378 599 HE21 GLN 90 HE21 GLN 90 -1.794 -8.219 -12.678 600 HE22 GLN 90 HE22 GLN 90 -1.148 -6.627 -12.483 601 H THR 91 HN THR 91 1.608 -12.307 -9.443 602 HA THR 91 HA THR 91 4.380 -12.367 -8.693 603 HB THR 91 HB THR 91 3.415 -14.827 -8.019 604 HG1 THR 91 HG1 THR 91 1.256 -14.628 -7.517 605 HG21 THR 91 HG21 THR 91 3.045 -12.245 -6.490 606 HG22 THR 91 HG22 THR 91 4.490 -13.255 -6.495 607 HG23 THR 91 HG23 THR 91 2.993 -13.865 -5.794 608 H GLY 92 HN GLY 92 2.594 -13.455 -11.368 609 HA2 GLY 92 HA2 GLY 92 4.893 -14.611 -12.585 610 HA3 GLY 92 HA1 GLY 92 3.744 -15.846 -12.092 611 H ASN 357 HT1 ASN 357 -19.153 -4.082 6.469 612 HA ASN 357 HA ASN 357 -17.660 -2.345 4.608 613 HB2 ASN 357 HB2 ASN 357 -19.942 -1.575 5.267 614 HB3 ASN 357 HB1 ASN 357 -19.437 -1.637 6.954 615 HD21 ASN 357 HD21 ASN 357 -19.614 0.534 7.383 616 HD22 ASN 357 HD22 ASN 357 -18.613 1.737 6.644 617 H ASN 358 HN ASN 358 -15.632 -2.072 5.154 618 HA ASN 358 HA ASN 358 -14.884 -2.352 7.995 619 HB2 ASN 358 HB2 ASN 358 -13.904 -4.145 6.625 620 HB3 ASN 358 HB1 ASN 358 -13.225 -2.953 5.525 621 HD21 ASN 358 HD21 ASN 358 -11.138 -3.677 5.856 622 HD22 ASN 358 HD22 ASN 358 -10.274 -3.375 7.322 623 H ARG 359 HN ARG 359 -14.051 -0.570 8.909 624 HA ARG 359 HA ARG 359 -13.127 1.549 7.092 625 HB2 ARG 359 HB2 ARG 359 -13.900 3.160 8.891 626 HB3 ARG 359 HB1 ARG 359 -15.161 2.361 7.963 627 HG2 ARG 359 HG2 ARG 359 -15.496 0.775 9.818 628 HG3 ARG 359 HG1 ARG 359 -14.259 1.628 10.744 629 HD2 ARG 359 HD2 ARG 359 -15.606 3.674 10.636 630 HD3 ARG 359 HD1 ARG 359 -16.845 2.803 9.737 631 HE ARG 359 HE ARG 359 -16.254 1.525 12.208 632 HH11 ARG 359 HH11 ARG 359 -19.202 4.304 12.127 633 HH12 ARG 359 HH12 ARG 359 -17.985 4.252 10.797 634 HH21 ARG 359 HH21 ARG 359 -17.750 1.593 13.919 635 HH22 ARG 359 HH22 ARG 359 -19.067 2.828 13.874 636 H ASP 360 HN ASP 360 -11.152 2.126 7.364 637 HA ASP 360 HA ASP 360 -9.825 1.621 9.928 638 HB2 ASP 360 HB2 ASP 360 -9.221 0.204 7.720 639 HB3 ASP 360 HB1 ASP 360 -8.168 1.592 7.470 640 HA PRO 361 HA PRO 361 -8.835 5.883 9.147 641 HB2 PRO 361 HB2 PRO 361 -8.272 6.556 11.656 642 HB3 PRO 361 HB1 PRO 361 -9.894 5.999 11.231 643 HG2 PRO 361 HG2 PRO 361 -7.814 4.607 12.788 644 HG3 PRO 361 HG1 PRO 361 -9.565 4.342 12.759 645 HD2 PRO 361 HD2 PRO 361 -7.491 2.905 11.291 646 HD3 PRO 361 HD1 PRO 361 -9.231 2.542 11.431 647 H ILE 362 HN ILE 362 -7.047 6.747 8.313 648 HA ILE 362 HA ILE 362 -4.463 5.871 9.395 649 HB ILE 362 HB ILE 362 -4.949 6.748 6.548 650 HG12 ILE 362 HG12 ILE 362 -4.875 3.975 7.757 651 HG13 ILE 362 HG11 ILE 362 -6.156 4.693 6.789 652 HG21 ILE 362 HG21 ILE 362 -2.744 5.887 6.118 653 HG22 ILE 362 HG22 ILE 362 -2.602 5.303 7.774 654 HG23 ILE 362 HG23 ILE 362 -2.660 7.038 7.454 655 HD11 ILE 362 HD11 ILE 362 -3.422 3.913 5.816 656 HD12 ILE 362 HD12 ILE 362 -4.679 4.675 4.842 657 HD13 ILE 362 HD13 ILE 362 -4.934 3.061 5.505 658 H VAL 363 HN VAL 363 -3.119 7.353 10.051 659 HA VAL 363 HA VAL 363 -3.764 10.161 9.493 660 HB VAL 363 HB VAL 363 -2.465 9.049 11.988 661 HG11 VAL 363 HG11 VAL 363 -3.148 11.848 11.119 662 HG12 VAL 363 HG12 VAL 363 -1.592 11.214 11.655 663 HG13 VAL 363 HG13 VAL 363 -2.908 11.416 12.811 664 HG21 VAL 363 HG21 VAL 363 -4.515 9.732 13.130 665 HG22 VAL 363 HG22 VAL 363 -4.834 8.508 11.900 666 HG23 VAL 363 HG23 VAL 363 -5.221 10.199 11.582 667 H ILE 364 HN ILE 364 -2.205 11.421 8.789 668 HA ILE 364 HA ILE 364 0.430 10.206 8.334 669 HB ILE 364 HB ILE 364 -1.324 11.306 6.447 670 HG12 ILE 364 HG12 ILE 364 0.361 10.745 4.874 671 HG13 ILE 364 HG11 ILE 364 1.645 10.976 6.054 672 HG21 ILE 364 HG21 ILE 364 0.072 13.165 5.490 673 HG22 ILE 364 HG22 ILE 364 0.932 13.214 7.026 674 HG23 ILE 364 HG23 ILE 364 -0.796 13.566 6.971 675 HD11 ILE 364 HD11 ILE 364 -0.369 8.937 6.726 676 HD12 ILE 364 HD12 ILE 364 1.386 8.918 6.925 677 HD13 ILE 364 HD13 ILE 364 0.673 8.579 5.347 678 H SEP 365 HN SEP 365 2.235 11.400 8.812 679 HA SEP 365 HA SEP 365 1.686 13.632 10.634 680 HB2 SEP 365 HB1 SEP 365 3.284 12.726 11.964 681 HB3 SEP 365 HB2 SEP 365 4.431 12.669 10.627 682 H ASP 366 HN ASP 366 2.384 15.575 10.156 683 HA ASP 366 HA ASP 366 3.923 15.909 7.672 684 HB2 ASP 366 HB2 ASP 366 1.506 16.594 7.654 685 HB3 ASP 366 HB1 ASP 366 1.886 17.783 8.892 686 H SEP 367 HN SEP 367 5.781 16.869 7.844 687 HA SEP 367 HA SEP 367 6.679 17.931 10.344 688 HB2 SEP 367 HB1 SEP 367 8.829 18.218 9.112 689 HB3 SEP 367 HB2 SEP 367 8.011 17.728 7.628 690 HA PRO 368 HA PRO 368 5.234 22.078 9.665 691 HB2 PRO 368 HB2 PRO 368 7.181 23.250 11.301 692 HB3 PRO 368 HB1 PRO 368 5.590 22.684 11.819 693 HG2 PRO 368 HG2 PRO 368 8.225 21.345 12.050 694 HG3 PRO 368 HG1 PRO 368 6.831 21.296 13.144 695 HD2 PRO 368 HD2 PRO 368 7.427 19.240 11.537 696 HD3 PRO 368 HD1 PRO 368 5.748 19.678 11.911 Start of MODEL 19 1 H ASP 16 HT1 ASP 16 -3.811 22.954 4.501 2 HA ASP 16 HA ASP 16 -6.216 22.820 6.213 3 HB2 ASP 16 HB2 ASP 16 -5.970 22.934 3.203 4 HB3 ASP 16 HB1 ASP 16 -7.429 22.426 4.047 5 H HIS 17 HN HIS 17 -7.433 20.775 5.629 6 HA HIS 17 HA HIS 17 -5.502 18.585 5.234 7 HB2 HIS 17 HB2 HIS 17 -7.954 18.787 6.978 8 HB3 HIS 17 HB1 HIS 17 -7.275 17.229 6.522 9 HD2 HIS 17 HD2 HIS 17 -4.211 17.504 7.120 10 HE1 HIS 17 HE1 HIS 17 -5.371 19.132 10.848 11 HE2 HIS 17 HE2 HIS 17 -3.557 17.877 9.602 12 H ILE 18 HN ILE 18 -6.100 16.864 3.910 13 HA ILE 18 HA ILE 18 -8.568 17.273 2.355 14 HB ILE 18 HB ILE 18 -6.592 17.887 1.018 15 HG12 ILE 18 HG12 ILE 18 -7.896 15.318 0.093 16 HG13 ILE 18 HG11 ILE 18 -8.573 16.934 -0.081 17 HG21 ILE 18 HG21 ILE 18 -4.970 16.206 0.325 18 HG22 ILE 18 HG22 ILE 18 -5.726 15.030 1.401 19 HG23 ILE 18 HG23 ILE 18 -4.934 16.459 2.070 20 HD11 ILE 18 HD11 ILE 18 -6.018 15.972 -1.340 21 HD12 ILE 18 HD12 ILE 18 -6.754 17.562 -1.550 22 HD13 ILE 18 HD13 ILE 18 -7.576 16.121 -2.152 23 H ASN 19 HN ASN 19 -9.868 15.567 2.163 24 HA ASN 19 HA ASN 19 -9.143 13.127 3.574 25 HB2 ASN 19 HB2 ASN 19 -11.717 14.021 2.258 26 HB3 ASN 19 HB1 ASN 19 -11.519 12.479 3.086 27 HD21 ASN 19 HD21 ASN 19 -11.692 15.937 3.453 28 HD22 ASN 19 HD22 ASN 19 -11.986 15.930 5.162 29 H LEU 20 HN LEU 20 -8.271 11.431 2.567 30 HA LEU 20 HA LEU 20 -8.876 11.087 -0.295 31 HB2 LEU 20 HB2 LEU 20 -6.315 10.488 1.184 32 HB3 LEU 20 HB1 LEU 20 -6.645 9.939 -0.448 33 HG LEU 20 HG LEU 20 -6.347 12.796 0.479 34 HD11 LEU 20 HD11 LEU 20 -4.753 11.123 -1.456 35 HD12 LEU 20 HD12 LEU 20 -4.252 11.585 0.170 36 HD13 LEU 20 HD13 LEU 20 -4.461 12.820 -1.072 37 HD21 LEU 20 HD21 LEU 20 -6.636 13.350 -1.939 38 HD22 LEU 20 HD22 LEU 20 -8.106 12.789 -1.144 39 HD23 LEU 20 HD23 LEU 20 -7.199 11.700 -2.195 40 H LYS 21 HN LYS 21 -9.936 9.297 -0.781 41 HA LYS 21 HA LYS 21 -10.196 7.238 1.276 42 HB2 LYS 21 HB2 LYS 21 -11.725 7.550 -1.315 43 HB3 LYS 21 HB1 LYS 21 -12.101 6.436 -0.008 44 HG2 LYS 21 HG2 LYS 21 -12.631 8.274 1.461 45 HG3 LYS 21 HG1 LYS 21 -12.140 9.435 0.227 46 HD2 LYS 21 HD2 LYS 21 -13.914 8.340 -1.254 47 HD3 LYS 21 HD1 LYS 21 -14.514 7.592 0.226 48 HE2 LYS 21 HE2 LYS 21 -14.936 9.729 1.214 49 HE3 LYS 21 HE1 LYS 21 -14.135 10.558 -0.119 50 HZ1 LYS 21 HZ1 LYS 21 -16.518 10.691 -0.345 51 HZ2 LYS 21 HZ2 LYS 21 -16.658 9.002 -0.295 52 HZ3 LYS 21 HZ3 LYS 21 -15.881 9.745 -1.601 53 H VAL 22 HN VAL 22 -8.484 5.909 1.149 54 HA VAL 22 HA VAL 22 -7.670 4.850 -1.459 55 HB VAL 22 HB VAL 22 -6.414 4.202 1.212 56 HG11 VAL 22 HG11 VAL 22 -5.828 2.734 -0.642 57 HG12 VAL 22 HG12 VAL 22 -4.446 3.699 -0.125 58 HG13 VAL 22 HG13 VAL 22 -5.324 4.130 -1.594 59 HG21 VAL 22 HG21 VAL 22 -4.820 5.977 0.857 60 HG22 VAL 22 HG22 VAL 22 -6.451 6.647 0.888 61 HG23 VAL 22 HG23 VAL 22 -5.612 6.430 -0.648 62 H ALA 23 HN ALA 23 -8.384 2.889 -2.119 63 HA ALA 23 HA ALA 23 -9.583 1.151 -0.064 64 HB1 ALA 23 HB1 ALA 23 -11.299 0.503 -1.619 65 HB2 ALA 23 HB2 ALA 23 -10.571 1.489 -2.886 66 HB3 ALA 23 HB3 ALA 23 -11.278 2.258 -1.467 67 H GLY 24 HN GLY 24 -9.238 -0.981 -0.144 68 HA2 GLY 24 HA2 GLY 24 -7.108 -1.894 -1.934 69 HA3 GLY 24 HA1 GLY 24 -7.672 -2.716 -0.482 70 H GLN 25 HN GLN 25 -7.418 -4.405 -2.441 71 HA GLN 25 HA GLN 25 -9.768 -4.496 -4.126 72 HB2 GLN 25 HB2 GLN 25 -7.506 -6.475 -3.797 73 HB3 GLN 25 HB1 GLN 25 -8.784 -6.586 -5.005 74 HG2 GLN 25 HG2 GLN 25 -6.690 -4.436 -4.771 75 HG3 GLN 25 HG1 GLN 25 -6.805 -5.680 -6.017 76 HE21 GLN 25 HE21 GLN 25 -6.894 -2.654 -5.980 77 HE22 GLN 25 HE22 GLN 25 -8.293 -2.259 -6.924 78 H ASP 26 HN ASP 26 -9.161 -5.369 -0.972 79 HA ASP 26 HA ASP 26 -10.925 -7.698 -1.019 80 HB2 ASP 26 HB2 ASP 26 -10.233 -8.139 1.204 81 HB3 ASP 26 HB1 ASP 26 -8.782 -7.607 0.361 82 H GLY 27 HN GLY 27 -11.065 -4.339 -0.521 83 HA2 GLY 27 HA2 GLY 27 -13.359 -3.429 -0.505 84 HA3 GLY 27 HA1 GLY 27 -13.734 -4.642 0.707 85 H SER 28 HN SER 28 -10.692 -3.582 1.419 86 HA SER 28 HA SER 28 -11.626 -2.091 3.671 87 HB2 SER 28 HB2 SER 28 -9.112 -1.692 4.015 88 HB3 SER 28 HB1 SER 28 -9.665 -3.363 4.066 89 HG SER 28 HG SER 28 -8.802 -3.732 2.082 90 H VAL 29 HN VAL 29 -12.015 0.008 3.807 91 HA VAL 29 HA VAL 29 -10.749 1.794 1.842 92 HB VAL 29 HB VAL 29 -13.178 1.625 1.422 93 HG11 VAL 29 HG11 VAL 29 -13.952 1.107 3.665 94 HG12 VAL 29 HG12 VAL 29 -14.792 2.521 3.027 95 HG13 VAL 29 HG13 VAL 29 -13.502 2.721 4.211 96 HG21 VAL 29 HG21 VAL 29 -13.689 4.044 1.484 97 HG22 VAL 29 HG22 VAL 29 -12.075 3.696 0.862 98 HG23 VAL 29 HG23 VAL 29 -12.276 4.288 2.512 99 H VAL 30 HN VAL 30 -9.619 3.478 2.685 100 HA VAL 30 HA VAL 30 -9.673 3.681 5.617 101 HB VAL 30 HB VAL 30 -7.398 4.445 5.584 102 HG11 VAL 30 HG11 VAL 30 -6.567 2.383 5.425 103 HG12 VAL 30 HG12 VAL 30 -6.942 2.272 3.704 104 HG13 VAL 30 HG13 VAL 30 -8.180 1.894 4.901 105 HG21 VAL 30 HG21 VAL 30 -6.140 4.456 3.384 106 HG22 VAL 30 HG22 VAL 30 -7.265 5.788 3.651 107 HG23 VAL 30 HG23 VAL 30 -7.717 4.449 2.599 108 H GLN 31 HN GLN 31 -9.697 5.577 6.649 109 HA GLN 31 HA GLN 31 -10.531 7.925 5.103 110 HB2 GLN 31 HB2 GLN 31 -11.917 7.180 7.065 111 HB3 GLN 31 HB1 GLN 31 -10.537 7.498 8.109 112 HG2 GLN 31 HG2 GLN 31 -10.686 9.885 6.989 113 HG3 GLN 31 HG1 GLN 31 -12.363 9.396 6.738 114 HE21 GLN 31 HE21 GLN 31 -11.198 11.472 8.440 115 HE22 GLN 31 HE22 GLN 31 -11.767 11.146 10.037 116 H PHE 32 HN PHE 32 -8.494 8.429 4.287 117 HA PHE 32 HA PHE 32 -6.243 8.737 6.044 118 HB2 PHE 32 HB2 PHE 32 -6.510 8.216 3.369 119 HB3 PHE 32 HB1 PHE 32 -6.010 9.904 3.372 120 HD1 PHE 32 HD1 PHE 32 -4.944 6.525 3.644 121 HD2 PHE 32 HD2 PHE 32 -3.941 10.515 4.718 122 HE1 PHE 32 HE1 PHE 32 -2.611 5.838 4.009 123 HE2 PHE 32 HE2 PHE 32 -1.614 9.837 5.076 124 HZ PHE 32 HZ PHE 32 -0.944 7.499 4.726 125 H LYS 33 HN LYS 33 -5.811 10.413 7.211 126 HA LYS 33 HA LYS 33 -6.918 13.042 6.511 127 HB2 LYS 33 HB2 LYS 33 -7.319 12.087 8.821 128 HB3 LYS 33 HB1 LYS 33 -5.585 12.185 9.095 129 HG2 LYS 33 HG2 LYS 33 -6.365 14.113 10.099 130 HG3 LYS 33 HG1 LYS 33 -5.876 14.691 8.505 131 HD2 LYS 33 HD2 LYS 33 -8.134 14.701 7.733 132 HD3 LYS 33 HD1 LYS 33 -8.694 13.864 9.183 133 HE2 LYS 33 HE2 LYS 33 -7.919 15.840 10.513 134 HE3 LYS 33 HE1 LYS 33 -7.594 16.661 8.988 135 HZ1 LYS 33 HZ1 LYS 33 -9.877 16.907 10.246 136 HZ2 LYS 33 HZ2 LYS 33 -10.256 15.526 9.352 137 HZ3 LYS 33 HZ3 LYS 33 -9.782 16.941 8.562 138 H ILE 34 HN ILE 34 -5.451 13.627 4.914 139 HA ILE 34 HA ILE 34 -2.679 14.005 5.834 140 HB ILE 34 HB ILE 34 -2.781 12.170 4.222 141 HG12 ILE 34 HG12 ILE 34 -1.643 14.585 2.803 142 HG13 ILE 34 HG11 ILE 34 -0.839 13.772 4.139 143 HG21 ILE 34 HG21 ILE 34 -3.534 12.539 1.910 144 HG22 ILE 34 HG22 ILE 34 -4.073 14.157 2.363 145 HG23 ILE 34 HG23 ILE 34 -4.833 12.738 3.087 146 HD11 ILE 34 HD11 ILE 34 0.100 13.008 2.078 147 HD12 ILE 34 HD12 ILE 34 -1.498 12.607 1.450 148 HD13 ILE 34 HD13 ILE 34 -0.827 11.692 2.799 149 H LYS 35 HN LYS 35 -1.541 15.786 4.557 150 HA LYS 35 HA LYS 35 -3.351 18.052 4.237 151 HB2 LYS 35 HB2 LYS 35 -0.333 17.869 4.324 152 HB3 LYS 35 HB1 LYS 35 -1.212 19.365 4.054 153 HG2 LYS 35 HG2 LYS 35 -2.314 19.024 6.274 154 HG3 LYS 35 HG1 LYS 35 -1.225 17.659 6.535 155 HD2 LYS 35 HD2 LYS 35 0.696 19.198 6.194 156 HD3 LYS 35 HD1 LYS 35 -0.441 20.539 6.095 157 HE2 LYS 35 HE2 LYS 35 -1.155 20.178 8.359 158 HE3 LYS 35 HE1 LYS 35 -0.204 18.696 8.468 159 HZ1 LYS 35 HZ1 LYS 35 1.807 20.054 8.146 160 HZ2 LYS 35 HZ2 LYS 35 0.960 20.468 9.553 161 HZ3 LYS 35 HZ3 LYS 35 0.854 21.454 8.179 162 H ARG 36 HN ARG 36 -2.578 19.612 2.351 163 HA ARG 36 HA ARG 36 -2.756 17.979 -0.055 164 HB2 ARG 36 HB2 ARG 36 -3.088 20.945 0.396 165 HB3 ARG 36 HB1 ARG 36 -3.184 20.186 -1.185 166 HG2 ARG 36 HG2 ARG 36 -5.079 18.840 -0.428 167 HG3 ARG 36 HG1 ARG 36 -4.986 19.606 1.159 168 HD2 ARG 36 HD2 ARG 36 -6.693 20.746 -0.010 169 HD3 ARG 36 HD1 ARG 36 -5.296 21.816 -0.039 170 HE ARG 36 HE ARG 36 -4.936 21.157 -2.343 171 HH11 ARG 36 HH11 ARG 36 -8.054 20.288 -0.928 172 HH12 ARG 36 HH12 ARG 36 -8.876 20.189 -2.534 173 HH21 ARG 36 HH21 ARG 36 -5.958 21.032 -4.385 174 HH22 ARG 36 HH22 ARG 36 -7.715 20.600 -4.453 175 H HIS 37 HN HIS 37 -0.203 18.401 1.526 176 HA HIS 37 HA HIS 37 1.415 19.102 -0.812 177 HB2 HIS 37 HB2 HIS 37 2.744 20.649 0.253 178 HB3 HIS 37 HB1 HIS 37 1.208 20.963 1.048 179 HD2 HIS 37 HD2 HIS 37 1.023 19.672 3.665 180 HE1 HIS 37 HE1 HIS 37 5.226 19.709 4.113 181 HE2 HIS 37 HE2 HIS 37 3.023 19.144 5.231 182 H THR 38 HN THR 38 1.006 17.253 2.098 183 HA THR 38 HA THR 38 3.519 16.102 2.386 184 HB THR 38 HB THR 38 0.963 14.594 2.875 185 HG1 THR 38 HG1 THR 38 2.044 16.464 4.727 186 HG21 THR 38 HG21 THR 38 3.568 14.755 4.402 187 HG22 THR 38 HG22 THR 38 3.066 13.425 3.357 188 HG23 THR 38 HG23 THR 38 2.174 13.764 4.839 189 HA PRO 39 HA PRO 39 4.104 13.831 -1.408 190 HB2 PRO 39 HB2 PRO 39 5.720 12.106 0.408 191 HB3 PRO 39 HB1 PRO 39 6.163 12.849 -1.136 192 HG2 PRO 39 HG2 PRO 39 7.067 13.865 1.142 193 HG3 PRO 39 HG1 PRO 39 6.571 14.917 -0.198 194 HD2 PRO 39 HD2 PRO 39 5.160 14.323 2.348 195 HD3 PRO 39 HD1 PRO 39 5.212 15.822 1.402 196 H LEU 40 HN LEU 40 3.073 12.193 -2.362 197 HA LEU 40 HA LEU 40 1.207 10.625 -0.900 198 HB2 LEU 40 HB2 LEU 40 2.120 10.541 -3.769 199 HB3 LEU 40 HB1 LEU 40 0.885 9.470 -3.134 200 HG LEU 40 HG LEU 40 0.690 12.482 -3.106 201 HD11 LEU 40 HD11 LEU 40 -0.920 12.203 -4.930 202 HD12 LEU 40 HD12 LEU 40 -0.537 10.482 -4.998 203 HD13 LEU 40 HD13 LEU 40 0.699 11.678 -5.392 204 HD21 LEU 40 HD21 LEU 40 -1.300 10.301 -2.495 205 HD22 LEU 40 HD22 LEU 40 -1.706 12.009 -2.664 206 HD23 LEU 40 HD23 LEU 40 -0.635 11.482 -1.367 207 H SER 41 HN SER 41 4.508 10.209 -1.603 208 HA SER 41 HA SER 41 4.691 7.403 -1.734 209 HB2 SER 41 HB2 SER 41 7.014 8.230 -0.482 210 HB3 SER 41 HB1 SER 41 6.763 8.166 -2.229 211 HG SER 41 HG SER 41 6.992 10.246 -2.205 212 H LYS 42 HN LYS 42 4.657 9.692 0.941 213 HA LYS 42 HA LYS 42 5.140 7.824 3.014 214 HB2 LYS 42 HB2 LYS 42 5.304 10.395 3.082 215 HB3 LYS 42 HB1 LYS 42 3.560 10.378 3.311 216 HG2 LYS 42 HG2 LYS 42 3.831 9.063 5.342 217 HG3 LYS 42 HG1 LYS 42 5.582 9.065 5.111 218 HD2 LYS 42 HD2 LYS 42 5.618 11.492 5.302 219 HD3 LYS 42 HD1 LYS 42 3.861 11.516 5.472 220 HE2 LYS 42 HE2 LYS 42 4.908 11.755 7.633 221 HE3 LYS 42 HE1 LYS 42 4.062 10.212 7.544 222 HZ1 LYS 42 HZ1 LYS 42 6.207 9.982 8.602 223 HZ2 LYS 42 HZ2 LYS 42 6.986 10.625 7.238 224 HZ3 LYS 42 HZ3 LYS 42 6.194 9.133 7.132 225 H LEU 43 HN LEU 43 2.319 8.956 1.324 226 HA LEU 43 HA LEU 43 0.340 7.871 3.027 227 HB2 LEU 43 HB2 LEU 43 0.100 9.626 1.170 228 HB3 LEU 43 HB1 LEU 43 0.055 8.273 0.058 229 HG LEU 43 HG LEU 43 -1.855 8.305 2.352 230 HD11 LEU 43 HD11 LEU 43 -2.031 10.549 1.455 231 HD12 LEU 43 HD12 LEU 43 -3.448 9.602 1.001 232 HD13 LEU 43 HD13 LEU 43 -2.176 9.912 -0.182 233 HD21 LEU 43 HD21 LEU 43 -1.962 7.328 -0.507 234 HD22 LEU 43 HD22 LEU 43 -3.306 7.238 0.631 235 HD23 LEU 43 HD23 LEU 43 -1.820 6.343 0.952 236 H MET 44 HN MET 44 1.897 6.691 0.072 237 HA MET 44 HA MET 44 0.497 4.272 -0.161 238 HB2 MET 44 HB2 MET 44 3.323 4.953 -1.008 239 HB3 MET 44 HB1 MET 44 2.459 3.505 -1.505 240 HG2 MET 44 HG2 MET 44 0.692 5.069 -2.445 241 HG3 MET 44 HG1 MET 44 1.874 6.355 -2.215 242 HE1 MET 44 HE1 MET 44 4.085 6.624 -3.641 243 HE2 MET 44 HE2 MET 44 4.754 5.320 -4.622 244 HE3 MET 44 HE3 MET 44 4.608 5.124 -2.873 245 H LYS 45 HN LYS 45 3.553 5.023 1.462 246 HA LYS 45 HA LYS 45 4.101 2.415 2.359 247 HB2 LYS 45 HB2 LYS 45 4.959 5.102 3.434 248 HB3 LYS 45 HB1 LYS 45 5.583 3.572 4.035 249 HG2 LYS 45 HG2 LYS 45 6.402 3.055 1.767 250 HG3 LYS 45 HG1 LYS 45 5.845 4.641 1.235 251 HD2 LYS 45 HD2 LYS 45 7.834 4.218 3.461 252 HD3 LYS 45 HD1 LYS 45 8.283 4.513 1.781 253 HE2 LYS 45 HE2 LYS 45 7.103 6.655 1.841 254 HE3 LYS 45 HE1 LYS 45 6.649 6.358 3.521 255 HZ1 LYS 45 HZ1 LYS 45 8.905 6.473 4.185 256 HZ2 LYS 45 HZ2 LYS 45 8.622 7.822 3.207 257 HZ3 LYS 45 HZ3 LYS 45 9.458 6.488 2.590 258 H ALA 46 HN ALA 46 2.228 5.052 3.767 259 HA ALA 46 HA ALA 46 1.889 4.010 6.344 260 HB1 ALA 46 HB1 ALA 46 1.325 6.309 5.759 261 HB2 ALA 46 HB2 ALA 46 -0.047 5.491 6.507 262 HB3 ALA 46 HB3 ALA 46 -0.010 5.735 4.760 263 H TYR 47 HN TYR 47 -0.228 3.699 3.478 264 HA TYR 47 HA TYR 47 -2.091 1.985 4.744 265 HB2 TYR 47 HB2 TYR 47 -2.702 3.158 2.698 266 HB3 TYR 47 HB1 TYR 47 -1.445 2.307 1.802 267 HD1 TYR 47 HD1 TYR 47 -1.964 0.326 0.685 268 HD2 TYR 47 HD2 TYR 47 -4.536 1.679 3.789 269 HE1 TYR 47 HE1 TYR 47 -3.542 -1.482 0.155 270 HE2 TYR 47 HE2 TYR 47 -6.128 -0.124 3.265 271 HH TYR 47 HH TYR 47 -6.716 -1.633 1.557 272 H CYS 48 HN CYS 48 0.872 1.429 2.962 273 HA CYS 48 HA CYS 48 0.692 -1.345 2.657 274 HB2 CYS 48 HB2 CYS 48 2.401 0.380 1.701 275 HB3 CYS 48 HB1 CYS 48 3.308 0.027 3.168 276 HG CYS 48 HG CYS 48 3.945 -2.500 2.608 277 H GLU 49 HN GLU 49 1.959 0.635 5.301 278 HA GLU 49 HA GLU 49 2.951 -1.497 6.870 279 HB2 GLU 49 HB2 GLU 49 2.077 1.308 7.566 280 HB3 GLU 49 HB1 GLU 49 2.752 0.201 8.755 281 HG2 GLU 49 HG2 GLU 49 4.222 0.821 6.229 282 HG3 GLU 49 HG1 GLU 49 4.296 1.910 7.613 283 H ARG 50 HN ARG 50 -0.205 -0.017 6.545 284 HA ARG 50 HA ARG 50 -1.386 -1.180 8.849 285 HB2 ARG 50 HB2 ARG 50 -2.167 0.719 7.087 286 HB3 ARG 50 HB1 ARG 50 -3.111 -0.644 6.505 287 HG2 ARG 50 HG2 ARG 50 -4.602 0.171 7.996 288 HG3 ARG 50 HG1 ARG 50 -3.680 -0.838 9.108 289 HD2 ARG 50 HD2 ARG 50 -2.331 1.623 8.963 290 HD3 ARG 50 HD1 ARG 50 -4.044 2.003 9.107 291 HE ARG 50 HE ARG 50 -2.364 0.702 11.085 292 HH11 ARG 50 HH11 ARG 50 -5.653 1.476 10.048 293 HH12 ARG 50 HH12 ARG 50 -6.285 1.455 11.744 294 HH21 ARG 50 HH21 ARG 50 -4.905 0.955 13.503 295 HH22 ARG 50 HH22 ARG 50 -3.150 0.652 13.216 296 H GLN 51 HN GLN 51 -0.824 -2.304 5.592 297 HA GLN 51 HA GLN 51 -2.488 -4.663 6.008 298 HB2 GLN 51 HB2 GLN 51 -0.938 -3.646 3.629 299 HB3 GLN 51 HB1 GLN 51 -1.737 -5.212 3.647 300 HG2 GLN 51 HG2 GLN 51 -3.222 -2.672 4.233 301 HG3 GLN 51 HG1 GLN 51 -2.970 -3.248 2.587 302 HE21 GLN 51 HE21 GLN 51 -5.216 -3.469 2.317 303 HE22 GLN 51 HE22 GLN 51 -6.077 -4.794 3.022 304 H GLY 52 HN GLY 52 0.795 -3.690 6.215 305 HA2 GLY 52 HA2 GLY 52 2.595 -4.845 7.098 306 HA3 GLY 52 HA1 GLY 52 1.564 -6.260 7.255 307 H LEU 53 HN LEU 53 2.058 -4.515 4.258 308 HA LEU 53 HA LEU 53 3.512 -6.858 3.214 309 HB2 LEU 53 HB2 LEU 53 1.639 -5.013 1.719 310 HB3 LEU 53 HB1 LEU 53 2.491 -6.381 1.031 311 HG LEU 53 HG LEU 53 0.438 -6.630 3.229 312 HD11 LEU 53 HD11 LEU 53 -1.073 -7.431 1.462 313 HD12 LEU 53 HD12 LEU 53 0.126 -6.971 0.250 314 HD13 LEU 53 HD13 LEU 53 -0.634 -5.734 1.255 315 HD21 LEU 53 HD21 LEU 53 2.026 -8.464 3.116 316 HD22 LEU 53 HD22 LEU 53 1.708 -8.651 1.392 317 HD23 LEU 53 HD23 LEU 53 0.434 -8.982 2.566 318 H SER 54 HN SER 54 4.427 -5.997 0.869 319 HA SER 54 HA SER 54 6.214 -3.789 1.609 320 HB2 SER 54 HB2 SER 54 7.409 -5.817 1.016 321 HB3 SER 54 HB1 SER 54 6.483 -5.972 -0.478 322 HG SER 54 HG SER 54 8.663 -4.389 0.099 323 H MET 55 HN MET 55 6.444 -1.996 0.285 324 HA MET 55 HA MET 55 4.176 -1.242 -1.227 325 HB2 MET 55 HB2 MET 55 5.890 0.251 0.007 326 HB3 MET 55 HB1 MET 55 6.846 0.118 -1.464 327 HG2 MET 55 HG2 MET 55 5.103 1.140 -2.757 328 HG3 MET 55 HG1 MET 55 4.010 1.129 -1.374 329 HE1 MET 55 HE1 MET 55 7.092 2.737 -3.081 330 HE2 MET 55 HE2 MET 55 7.872 2.116 -1.628 331 HE3 MET 55 HE3 MET 55 7.699 3.856 -1.862 332 H ARG 56 HN ARG 56 6.864 -3.116 -2.025 333 HA ARG 56 HA ARG 56 6.843 -2.471 -4.851 334 HB2 ARG 56 HB2 ARG 56 8.941 -3.082 -3.679 335 HB3 ARG 56 HB1 ARG 56 8.285 -4.684 -3.370 336 HG2 ARG 56 HG2 ARG 56 8.389 -5.290 -5.619 337 HG3 ARG 56 HG1 ARG 56 8.534 -3.616 -6.155 338 HD2 ARG 56 HD2 ARG 56 10.758 -3.490 -5.133 339 HD3 ARG 56 HD1 ARG 56 10.608 -5.169 -4.617 340 HE ARG 56 HE ARG 56 10.922 -5.871 -6.814 341 HH11 ARG 56 HH11 ARG 56 11.459 -2.110 -8.244 342 HH12 ARG 56 HH12 ARG 56 10.747 -2.359 -6.604 343 HH21 ARG 56 HH21 ARG 56 12.038 -3.917 -9.538 344 HH22 ARG 56 HH22 ARG 56 11.826 -5.597 -8.904 345 H GLN 57 HN GLN 57 5.067 -4.411 -2.748 346 HA GLN 57 HA GLN 57 4.434 -6.452 -4.721 347 HB2 GLN 57 HB2 GLN 57 4.690 -7.032 -2.314 348 HB3 GLN 57 HB1 GLN 57 3.290 -6.033 -1.953 349 HG2 GLN 57 HG2 GLN 57 1.927 -7.489 -3.414 350 HG3 GLN 57 HG1 GLN 57 3.334 -8.523 -3.641 351 HE21 GLN 57 HE21 GLN 57 0.771 -9.196 -2.529 352 HE22 GLN 57 HE22 GLN 57 1.064 -9.759 -0.920 353 H ILE 58 HN ILE 58 3.037 -3.562 -3.336 354 HA ILE 58 HA ILE 58 0.574 -4.035 -4.860 355 HB ILE 58 HB ILE 58 -0.276 -2.040 -3.485 356 HG12 ILE 58 HG12 ILE 58 2.155 -2.818 -1.858 357 HG13 ILE 58 HG11 ILE 58 1.865 -1.260 -2.626 358 HG21 ILE 58 HG21 ILE 58 -1.102 -4.263 -3.143 359 HG22 ILE 58 HG22 ILE 58 -0.806 -3.526 -1.565 360 HG23 ILE 58 HG23 ILE 58 0.336 -4.702 -2.218 361 HD11 ILE 58 HD11 ILE 58 0.348 -2.459 -0.319 362 HD12 ILE 58 HD12 ILE 58 -0.095 -0.960 -1.139 363 HD13 ILE 58 HD13 ILE 58 1.441 -1.074 -0.280 364 H ARG 59 HN ARG 59 -0.426 -2.156 -5.891 365 HA ARG 59 HA ARG 59 1.505 -0.148 -6.836 366 HB2 ARG 59 HB2 ARG 59 -0.395 -1.770 -8.540 367 HB3 ARG 59 HB1 ARG 59 0.434 -0.331 -9.107 368 HG2 ARG 59 HG2 ARG 59 1.785 -2.836 -8.142 369 HG3 ARG 59 HG1 ARG 59 1.524 -2.401 -9.831 370 HD2 ARG 59 HD2 ARG 59 2.871 -0.367 -9.486 371 HD3 ARG 59 HD1 ARG 59 3.164 -0.865 -7.818 372 HE ARG 59 HE ARG 59 4.386 -1.937 -10.209 373 HH11 ARG 59 HH11 ARG 59 4.981 -3.638 -6.575 374 HH12 ARG 59 HH12 ARG 59 3.712 -2.367 -6.778 375 HH21 ARG 59 HH21 ARG 59 6.050 -3.495 -9.966 376 HH22 ARG 59 HH22 ARG 59 6.296 -4.252 -8.348 377 H PHE 60 HN PHE 60 0.753 1.808 -6.376 378 HA PHE 60 HA PHE 60 -2.082 2.185 -5.869 379 HB2 PHE 60 HB2 PHE 60 0.343 3.926 -5.430 380 HB3 PHE 60 HB1 PHE 60 -1.298 4.526 -5.209 381 HD1 PHE 60 HD1 PHE 60 0.921 1.733 -4.125 382 HD2 PHE 60 HD2 PHE 60 -2.280 4.358 -3.139 383 HE1 PHE 60 HE1 PHE 60 0.910 0.852 -1.830 384 HE2 PHE 60 HE2 PHE 60 -2.298 3.482 -0.843 385 HZ PHE 60 HZ PHE 60 -0.700 1.726 -0.183 386 H ARG 61 HN ARG 61 -3.437 3.353 -7.109 387 HA ARG 61 HA ARG 61 -2.326 4.688 -9.485 388 HB2 ARG 61 HB2 ARG 61 -3.140 2.399 -10.036 389 HB3 ARG 61 HB1 ARG 61 -4.736 2.865 -9.469 390 HG2 ARG 61 HG2 ARG 61 -4.777 4.625 -11.225 391 HG3 ARG 61 HG1 ARG 61 -3.253 3.978 -11.837 392 HD2 ARG 61 HD2 ARG 61 -4.441 1.738 -11.982 393 HD3 ARG 61 HD1 ARG 61 -5.935 2.633 -11.722 394 HE ARG 61 HE ARG 61 -4.351 3.674 -13.876 395 HH11 ARG 61 HH11 ARG 61 -7.400 1.115 -14.612 396 HH12 ARG 61 HH12 ARG 61 -6.767 1.310 -12.936 397 HH21 ARG 61 HH21 ARG 61 -5.151 3.500 -16.013 398 HH22 ARG 61 HH22 ARG 61 -6.507 2.354 -16.332 399 H PHE 62 HN PHE 62 -3.230 6.594 -9.977 400 HA PHE 62 HA PHE 62 -5.588 7.435 -8.422 401 HB2 PHE 62 HB2 PHE 62 -3.777 8.840 -7.786 402 HB3 PHE 62 HB1 PHE 62 -3.214 8.995 -9.448 403 HD1 PHE 62 HD1 PHE 62 -6.334 9.668 -7.493 404 HD2 PHE 62 HD2 PHE 62 -3.597 11.011 -10.464 405 HE1 PHE 62 HE1 PHE 62 -7.632 11.743 -7.745 406 HE2 PHE 62 HE2 PHE 62 -4.887 13.092 -10.720 407 HZ PHE 62 HZ PHE 62 -6.908 13.457 -9.364 408 H ASP 63 HN ASP 63 -7.368 7.578 -9.577 409 HA ASP 63 HA ASP 63 -8.837 7.866 -11.277 410 HB2 ASP 63 HB2 ASP 63 -7.844 10.107 -11.473 411 HB3 ASP 63 HB1 ASP 63 -6.599 9.471 -12.543 412 H GLY 64 HN GLY 64 -6.027 7.940 -13.399 413 HA2 GLY 64 HA2 GLY 64 -6.563 5.169 -14.203 414 HA3 GLY 64 HA1 GLY 64 -6.614 6.432 -15.425 415 H GLN 65 HN GLN 65 -4.378 7.417 -13.244 416 HA GLN 65 HA GLN 65 -2.200 6.153 -14.777 417 HB2 GLN 65 HB2 GLN 65 -2.543 8.964 -13.777 418 HB3 GLN 65 HB1 GLN 65 -0.946 8.321 -14.132 419 HG2 GLN 65 HG2 GLN 65 -3.173 8.262 -16.138 420 HG3 GLN 65 HG1 GLN 65 -2.102 9.649 -15.961 421 HE21 GLN 65 HE21 GLN 65 0.044 9.467 -16.553 422 HE22 GLN 65 HE22 GLN 65 0.630 8.168 -17.532 423 HA PRO 66 HA PRO 66 -0.564 4.670 -10.937 424 HB2 PRO 66 HB2 PRO 66 2.077 4.525 -11.547 425 HB3 PRO 66 HB1 PRO 66 0.883 3.394 -12.206 426 HG2 PRO 66 HG2 PRO 66 2.089 5.804 -13.492 427 HG3 PRO 66 HG1 PRO 66 1.780 4.198 -14.181 428 HD2 PRO 66 HD2 PRO 66 0.142 6.293 -14.638 429 HD3 PRO 66 HD1 PRO 66 -0.450 4.623 -14.539 430 H ILE 67 HN ILE 67 0.569 5.357 -9.090 431 HA ILE 67 HA ILE 67 1.182 8.218 -9.066 432 HB ILE 67 HB ILE 67 0.837 6.329 -6.729 433 HG12 ILE 67 HG12 ILE 67 -1.088 8.343 -7.914 434 HG13 ILE 67 HG11 ILE 67 -1.240 6.592 -8.022 435 HG21 ILE 67 HG21 ILE 67 0.984 9.339 -6.829 436 HG22 ILE 67 HG22 ILE 67 2.232 8.260 -6.208 437 HG23 ILE 67 HG23 ILE 67 0.674 8.370 -5.389 438 HD11 ILE 67 HD11 ILE 67 -1.453 8.304 -5.564 439 HD12 ILE 67 HD12 ILE 67 -1.372 6.543 -5.528 440 HD13 ILE 67 HD13 ILE 67 -2.719 7.348 -6.333 441 H ASN 68 HN ASN 68 3.172 9.013 -8.700 442 HA ASN 68 HA ASN 68 5.363 7.083 -8.512 443 HB2 ASN 68 HB2 ASN 68 5.468 10.072 -8.999 444 HB3 ASN 68 HB1 ASN 68 6.825 8.956 -9.107 445 HD21 ASN 68 HD21 ASN 68 3.971 10.163 -10.628 446 HD22 ASN 68 HD22 ASN 68 4.219 9.396 -12.165 447 H GLU 69 HN GLU 69 7.197 7.639 -7.057 448 HA GLU 69 HA GLU 69 6.206 8.094 -4.410 449 HB2 GLU 69 HB2 GLU 69 9.030 7.722 -5.423 450 HB3 GLU 69 HB1 GLU 69 8.558 7.731 -3.728 451 HG2 GLU 69 HG2 GLU 69 7.552 5.677 -3.849 452 HG3 GLU 69 HG1 GLU 69 7.215 5.822 -5.574 453 H THR 70 HN THR 70 7.094 10.180 -6.819 454 HA THR 70 HA THR 70 7.976 12.249 -4.925 455 HB THR 70 HB THR 70 8.414 13.332 -7.383 456 HG1 THR 70 HG1 THR 70 9.463 11.506 -8.537 457 HG21 THR 70 HG21 THR 70 10.036 13.301 -5.589 458 HG22 THR 70 HG22 THR 70 10.784 12.659 -7.052 459 HG23 THR 70 HG23 THR 70 10.261 11.561 -5.775 460 H ASP 71 HN ASP 71 5.190 11.209 -6.084 461 HA ASP 71 HA ASP 71 4.144 13.722 -7.112 462 HB2 ASP 71 HB2 ASP 71 2.941 10.980 -6.757 463 HB3 ASP 71 HB1 ASP 71 1.965 12.377 -7.194 464 H THR 72 HN THR 72 2.469 14.888 -6.152 465 HA THR 72 HA THR 72 1.923 14.319 -3.319 466 HB THR 72 HB THR 72 2.030 16.726 -2.816 467 HG1 THR 72 HG1 THR 72 3.388 17.692 -4.872 468 HG21 THR 72 HG21 THR 72 4.519 15.556 -4.047 469 HG22 THR 72 HG22 THR 72 4.046 15.557 -2.348 470 HG23 THR 72 HG23 THR 72 4.508 17.064 -3.136 471 HA PRO 73 HA PRO 73 -2.362 14.977 -4.234 472 HB2 PRO 73 HB2 PRO 73 -2.538 17.017 -2.090 473 HB3 PRO 73 HB1 PRO 73 -3.440 15.506 -2.280 474 HG2 PRO 73 HG2 PRO 73 -1.532 15.721 -0.440 475 HG3 PRO 73 HG1 PRO 73 -1.772 14.215 -1.354 476 HD2 PRO 73 HD2 PRO 73 0.322 16.314 -1.692 477 HD3 PRO 73 HD1 PRO 73 0.457 14.549 -1.830 478 H ALA 74 HN ALA 74 -0.402 17.854 -3.743 479 HA ALA 74 HA ALA 74 -2.217 19.581 -5.166 480 HB1 ALA 74 HB1 ALA 74 -0.557 21.304 -4.837 481 HB2 ALA 74 HB2 ALA 74 0.633 20.104 -4.336 482 HB3 ALA 74 HB3 ALA 74 -0.783 20.413 -3.334 483 H GLN 75 HN GLN 75 0.692 17.756 -5.856 484 HA GLN 75 HA GLN 75 1.356 18.920 -8.326 485 HB2 GLN 75 HB2 GLN 75 2.821 17.397 -6.990 486 HB3 GLN 75 HB1 GLN 75 1.793 16.054 -7.473 487 HG2 GLN 75 HG2 GLN 75 3.694 16.027 -8.879 488 HG3 GLN 75 HG1 GLN 75 2.342 16.607 -9.849 489 HE21 GLN 75 HE21 GLN 75 3.607 17.668 -11.318 490 HE22 GLN 75 HE22 GLN 75 4.503 19.100 -10.939 491 H LEU 76 HN LEU 76 -0.590 16.053 -7.549 492 HA LEU 76 HA LEU 76 -1.345 15.701 -10.317 493 HB2 LEU 76 HB2 LEU 76 -2.330 14.312 -7.823 494 HB3 LEU 76 HB1 LEU 76 -2.708 13.832 -9.465 495 HG LEU 76 HG LEU 76 0.047 13.819 -8.235 496 HD11 LEU 76 HD11 LEU 76 -1.817 11.550 -8.926 497 HD12 LEU 76 HD12 LEU 76 -1.401 12.093 -7.299 498 HD13 LEU 76 HD13 LEU 76 -0.164 11.383 -8.338 499 HD21 LEU 76 HD21 LEU 76 0.142 14.254 -10.619 500 HD22 LEU 76 HD22 LEU 76 -0.928 12.887 -10.930 501 HD23 LEU 76 HD23 LEU 76 0.689 12.612 -10.282 502 H GLU 77 HN GLU 77 -2.302 17.726 -7.905 503 HA GLU 77 HA GLU 77 -4.074 19.067 -7.504 504 HB2 GLU 77 HB2 GLU 77 -3.562 19.596 -9.925 505 HB3 GLU 77 HB1 GLU 77 -4.882 18.520 -10.359 506 HG2 GLU 77 HG2 GLU 77 -6.442 19.915 -9.118 507 HG3 GLU 77 HG1 GLU 77 -5.124 20.988 -8.652 508 H MET 78 HN MET 78 -4.653 17.060 -6.215 509 HA MET 78 HA MET 78 -7.098 15.754 -7.146 510 HB2 MET 78 HB2 MET 78 -5.543 15.308 -4.587 511 HB3 MET 78 HB1 MET 78 -6.834 14.295 -5.218 512 HG2 MET 78 HG2 MET 78 -5.488 13.590 -7.053 513 HG3 MET 78 HG1 MET 78 -4.238 14.767 -6.653 514 HE1 MET 78 HE1 MET 78 -5.979 11.413 -5.700 515 HE2 MET 78 HE2 MET 78 -6.300 12.382 -4.263 516 HE3 MET 78 HE3 MET 78 -5.207 11.001 -4.168 517 H GLU 79 HN GLU 79 -8.970 15.656 -5.637 518 HA GLU 79 HA GLU 79 -9.177 18.180 -4.130 519 HB2 GLU 79 HB2 GLU 79 -10.853 17.109 -6.203 520 HB3 GLU 79 HB1 GLU 79 -11.777 17.252 -4.715 521 HG2 GLU 79 HG2 GLU 79 -10.699 19.334 -6.476 522 HG3 GLU 79 HG1 GLU 79 -12.126 19.344 -5.441 523 H ASP 80 HN ASP 80 -11.014 18.080 -2.483 524 HA ASP 80 HA ASP 80 -10.347 16.145 -0.545 525 HB2 ASP 80 HB2 ASP 80 -11.318 18.466 -0.152 526 HB3 ASP 80 HB1 ASP 80 -12.886 17.779 -0.565 527 H GLU 81 HN GLU 81 -11.246 14.286 0.051 528 HA GLU 81 HA GLU 81 -12.485 12.410 0.061 529 HB2 GLU 81 HB2 GLU 81 -14.474 14.341 -1.028 530 HB3 GLU 81 HB1 GLU 81 -14.831 12.621 -1.144 531 HG2 GLU 81 HG2 GLU 81 -14.236 12.577 1.372 532 HG3 GLU 81 HG1 GLU 81 -14.489 14.320 1.284 533 H ASP 82 HN ASP 82 -10.580 12.942 -2.015 534 HA ASP 82 HA ASP 82 -11.680 11.894 -4.458 535 HB2 ASP 82 HB2 ASP 82 -9.431 13.358 -3.900 536 HB3 ASP 82 HB1 ASP 82 -8.759 11.748 -4.157 537 H THR 83 HN THR 83 -10.205 9.953 -5.437 538 HA THR 83 HA THR 83 -10.211 7.854 -3.366 539 HB THR 83 HB THR 83 -10.929 6.983 -6.090 540 HG1 THR 83 HG1 THR 83 -12.099 9.038 -5.743 541 HG21 THR 83 HG21 THR 83 -12.498 5.586 -4.868 542 HG22 THR 83 HG22 THR 83 -12.161 6.470 -3.381 543 HG23 THR 83 HG23 THR 83 -10.902 5.489 -4.129 544 H ILE 84 HN ILE 84 -8.708 6.248 -3.522 545 HA ILE 84 HA ILE 84 -6.747 6.411 -5.711 546 HB ILE 84 HB ILE 84 -6.116 6.057 -2.770 547 HG12 ILE 84 HG12 ILE 84 -5.236 8.233 -4.681 548 HG13 ILE 84 HG11 ILE 84 -6.579 8.400 -3.552 549 HG21 ILE 84 HG21 ILE 84 -3.755 5.990 -3.505 550 HG22 ILE 84 HG22 ILE 84 -4.304 5.949 -5.180 551 HG23 ILE 84 HG23 ILE 84 -4.693 4.618 -4.088 552 HD11 ILE 84 HD11 ILE 84 -3.758 7.784 -2.705 553 HD12 ILE 84 HD12 ILE 84 -5.121 8.248 -1.683 554 HD13 ILE 84 HD13 ILE 84 -4.424 9.414 -2.806 555 H ASP 85 HN ASP 85 -6.487 4.514 -6.699 556 HA ASP 85 HA ASP 85 -7.697 2.128 -5.541 557 HB2 ASP 85 HB2 ASP 85 -6.515 2.662 -8.273 558 HB3 ASP 85 HB1 ASP 85 -7.197 1.120 -7.778 559 H VAL 86 HN VAL 86 -6.600 0.298 -4.961 560 HA VAL 86 HA VAL 86 -3.659 0.381 -5.175 561 HB VAL 86 HB VAL 86 -5.222 -0.863 -2.902 562 HG11 VAL 86 HG11 VAL 86 -3.042 -1.081 -1.829 563 HG12 VAL 86 HG12 VAL 86 -2.264 -0.387 -3.252 564 HG13 VAL 86 HG13 VAL 86 -3.082 -1.945 -3.366 565 HG21 VAL 86 HG21 VAL 86 -4.386 0.972 -1.523 566 HG22 VAL 86 HG22 VAL 86 -5.407 1.570 -2.829 567 HG23 VAL 86 HG23 VAL 86 -3.653 1.713 -2.944 568 H PHE 87 HN PHE 87 -3.101 -1.076 -6.655 569 HA PHE 87 HA PHE 87 -4.597 -3.606 -6.804 570 HB2 PHE 87 HB2 PHE 87 -2.722 -2.310 -8.798 571 HB3 PHE 87 HB1 PHE 87 -3.515 -3.867 -9.026 572 HD1 PHE 87 HD1 PHE 87 -5.991 -3.959 -9.217 573 HD2 PHE 87 HD2 PHE 87 -3.854 -0.283 -9.218 574 HE1 PHE 87 HE1 PHE 87 -7.940 -2.828 -10.200 575 HE2 PHE 87 HE2 PHE 87 -5.801 0.853 -10.199 576 HZ PHE 87 HZ PHE 87 -7.845 -0.421 -10.689 577 H GLN 88 HN GLN 88 -3.063 -5.464 -7.623 578 HA GLN 88 HA GLN 88 -0.644 -5.415 -5.937 579 HB2 GLN 88 HB2 GLN 88 -2.670 -7.586 -6.379 580 HB3 GLN 88 HB1 GLN 88 -1.020 -7.988 -5.924 581 HG2 GLN 88 HG2 GLN 88 -1.559 -6.147 -4.055 582 HG3 GLN 88 HG1 GLN 88 -3.185 -6.764 -4.346 583 HE21 GLN 88 HE21 GLN 88 -3.393 -7.773 -2.407 584 HE22 GLN 88 HE22 GLN 88 -2.486 -9.170 -1.950 585 H GLN 89 HN GLN 89 1.185 -6.507 -6.707 586 HA GLN 89 HA GLN 89 1.444 -6.453 -9.564 587 HB2 GLN 89 HB2 GLN 89 3.229 -5.822 -7.833 588 HB3 GLN 89 HB1 GLN 89 3.474 -7.548 -7.619 589 HG2 GLN 89 HG2 GLN 89 5.084 -6.480 -9.171 590 HG3 GLN 89 HG1 GLN 89 4.165 -7.803 -9.886 591 HE21 GLN 89 HE21 GLN 89 4.471 -7.092 -11.969 592 HE22 GLN 89 HE22 GLN 89 3.678 -5.690 -12.601 593 H GLN 90 HN GLN 90 1.840 -8.190 -10.935 594 HA GLN 90 HA GLN 90 0.480 -10.600 -10.256 595 HB2 GLN 90 HB2 GLN 90 2.219 -10.057 -12.672 596 HB3 GLN 90 HB1 GLN 90 1.034 -11.344 -12.504 597 HG2 GLN 90 HG2 GLN 90 -0.111 -9.811 -13.763 598 HG3 GLN 90 HG1 GLN 90 -0.642 -9.396 -12.134 599 HE21 GLN 90 HE21 GLN 90 -1.102 -7.286 -12.560 600 HE22 GLN 90 HE22 GLN 90 0.105 -6.107 -12.941 601 H THR 91 HN THR 91 1.351 -12.004 -8.892 602 HA THR 91 HA THR 91 4.216 -12.378 -8.755 603 HB THR 91 HB THR 91 3.240 -14.216 -7.032 604 HG1 THR 91 HG1 THR 91 1.396 -12.328 -6.362 605 HG21 THR 91 HG21 THR 91 3.436 -11.251 -6.491 606 HG22 THR 91 HG22 THR 91 4.782 -12.389 -6.490 607 HG23 THR 91 HG23 THR 91 3.509 -12.531 -5.280 608 H GLY 92 HN GLY 92 4.375 -13.259 -10.951 609 HA2 GLY 92 HA2 GLY 92 5.076 -15.754 -11.276 610 HA3 GLY 92 HA1 GLY 92 3.331 -15.971 -11.268 611 H ASN 357 HT1 ASN 357 -19.146 -4.443 6.825 612 HA ASN 357 HA ASN 357 -18.962 -1.605 6.034 613 HB2 ASN 357 HB2 ASN 357 -20.715 -1.705 7.659 614 HB3 ASN 357 HB1 ASN 357 -19.831 -2.861 8.648 615 HD21 ASN 357 HD21 ASN 357 -19.637 -1.782 10.494 616 HD22 ASN 357 HD22 ASN 357 -18.821 -0.268 10.676 617 H ASN 358 HN ASN 358 -16.757 -1.760 5.452 618 HA ASN 358 HA ASN 358 -15.031 -2.440 7.755 619 HB2 ASN 358 HB2 ASN 358 -14.832 -4.062 5.842 620 HB3 ASN 358 HB1 ASN 358 -14.266 -2.738 4.832 621 HD21 ASN 358 HD21 ASN 358 -13.204 -5.326 6.294 622 HD22 ASN 358 HD22 ASN 358 -11.618 -4.831 6.774 623 H ARG 359 HN ARG 359 -14.088 -0.707 8.554 624 HA ARG 359 HA ARG 359 -13.201 1.373 6.700 625 HB2 ARG 359 HB2 ARG 359 -13.792 3.120 8.327 626 HB3 ARG 359 HB1 ARG 359 -15.193 2.253 7.723 627 HG2 ARG 359 HG2 ARG 359 -15.446 1.070 9.768 628 HG3 ARG 359 HG1 ARG 359 -13.890 1.655 10.367 629 HD2 ARG 359 HD2 ARG 359 -14.722 3.917 10.444 630 HD3 ARG 359 HD1 ARG 359 -16.241 3.423 9.699 631 HE ARG 359 HE ARG 359 -16.410 1.970 11.830 632 HH11 ARG 359 HH11 ARG 359 -15.431 5.608 13.323 633 HH12 ARG 359 HH12 ARG 359 -15.028 5.203 11.612 634 HH21 ARG 359 HH21 ARG 359 -16.958 2.444 13.986 635 HH22 ARG 359 HH22 ARG 359 -16.549 4.073 14.646 636 H ASP 360 HN ASP 360 -11.154 1.944 6.905 637 HA ASP 360 HA ASP 360 -9.801 1.263 9.428 638 HB2 ASP 360 HB2 ASP 360 -9.156 -0.139 7.364 639 HB3 ASP 360 HB1 ASP 360 -8.375 1.324 6.773 640 HA PRO 361 HA PRO 361 -8.781 5.587 8.953 641 HB2 PRO 361 HB2 PRO 361 -8.411 6.110 11.554 642 HB3 PRO 361 HB1 PRO 361 -10.012 5.673 10.940 643 HG2 PRO 361 HG2 PRO 361 -8.193 4.106 12.627 644 HG3 PRO 361 HG1 PRO 361 -9.934 3.903 12.359 645 HD2 PRO 361 HD2 PRO 361 -7.713 2.495 11.079 646 HD3 PRO 361 HD1 PRO 361 -9.459 2.154 11.003 647 H ILE 362 HN ILE 362 -6.945 6.425 8.292 648 HA ILE 362 HA ILE 362 -4.454 5.672 9.647 649 HB ILE 362 HB ILE 362 -4.738 6.292 6.703 650 HG12 ILE 362 HG12 ILE 362 -4.521 3.695 8.227 651 HG13 ILE 362 HG11 ILE 362 -5.722 4.156 7.029 652 HG21 ILE 362 HG21 ILE 362 -2.399 5.517 6.584 653 HG22 ILE 362 HG22 ILE 362 -2.373 5.387 8.345 654 HG23 ILE 362 HG23 ILE 362 -2.584 6.962 7.579 655 HD11 ILE 362 HD11 ILE 362 -2.832 3.817 6.326 656 HD12 ILE 362 HD12 ILE 362 -4.233 3.837 5.253 657 HD13 ILE 362 HD13 ILE 362 -3.966 2.466 6.334 658 H VAL 363 HN VAL 363 -3.148 7.227 10.274 659 HA VAL 363 HA VAL 363 -3.898 10.022 9.687 660 HB VAL 363 HB VAL 363 -2.506 9.047 12.199 661 HG11 VAL 363 HG11 VAL 363 -2.120 11.398 11.590 662 HG12 VAL 363 HG12 VAL 363 -3.054 11.243 13.077 663 HG13 VAL 363 HG13 VAL 363 -3.863 11.670 11.571 664 HG21 VAL 363 HG21 VAL 363 -4.687 9.451 13.333 665 HG22 VAL 363 HG22 VAL 363 -4.690 8.076 12.230 666 HG23 VAL 363 HG23 VAL 363 -5.429 9.598 11.738 667 H ILE 364 HN ILE 364 -2.335 11.365 9.087 668 HA ILE 364 HA ILE 364 0.273 10.166 8.491 669 HB ILE 364 HB ILE 364 -1.393 11.096 6.628 670 HG12 ILE 364 HG12 ILE 364 0.622 11.539 5.207 671 HG13 ILE 364 HG11 ILE 364 1.613 11.454 6.661 672 HG21 ILE 364 HG21 ILE 364 -1.616 13.339 7.393 673 HG22 ILE 364 HG22 ILE 364 -0.614 13.383 5.943 674 HG23 ILE 364 HG23 ILE 364 0.131 13.530 7.534 675 HD11 ILE 364 HD11 ILE 364 1.475 9.206 6.776 676 HD12 ILE 364 HD12 ILE 364 1.193 9.375 5.046 677 HD13 ILE 364 HD13 ILE 364 -0.166 9.162 6.150 678 H SEP 365 HN SEP 365 2.114 11.302 8.921 679 HA SEP 365 HA SEP 365 1.784 13.404 10.936 680 HB2 SEP 365 HB1 SEP 365 2.991 11.585 11.849 681 HB3 SEP 365 HB2 SEP 365 4.281 12.669 11.315 682 H ASP 366 HN ASP 366 2.359 15.375 10.436 683 HA ASP 366 HA ASP 366 4.090 15.837 8.108 684 HB2 ASP 366 HB2 ASP 366 1.577 16.374 7.871 685 HB3 ASP 366 HB1 ASP 366 1.901 17.714 8.966 686 H SEP 367 HN SEP 367 5.783 17.056 8.440 687 HA SEP 367 HA SEP 367 6.646 17.869 10.951 688 HB2 SEP 367 HB1 SEP 367 8.472 18.903 9.759 689 HB3 SEP 367 HB2 SEP 367 7.516 18.996 8.286 690 HA PRO 368 HA PRO 368 4.523 21.602 12.009 691 HB2 PRO 368 HB2 PRO 368 7.249 22.547 12.782 692 HB3 PRO 368 HB1 PRO 368 5.746 22.555 13.718 693 HG2 PRO 368 HG2 PRO 368 7.613 20.754 14.236 694 HG3 PRO 368 HG1 PRO 368 5.893 20.314 14.261 695 HD2 PRO 368 HD2 PRO 368 7.962 19.705 12.206 696 HD3 PRO 368 HD1 PRO 368 6.580 18.732 12.748 Start of MODEL 20 1 H ASP 16 HT1 ASP 16 -4.306 23.163 4.231 2 HA ASP 16 HA ASP 16 -5.632 22.706 6.835 3 HB2 ASP 16 HB2 ASP 16 -6.788 22.567 4.039 4 HB3 ASP 16 HB1 ASP 16 -7.665 22.457 5.560 5 H HIS 17 HN HIS 17 -7.240 20.628 5.824 6 HA HIS 17 HA HIS 17 -5.240 18.541 5.258 7 HB2 HIS 17 HB2 HIS 17 -7.583 18.521 7.150 8 HB3 HIS 17 HB1 HIS 17 -6.909 17.025 6.518 9 HD2 HIS 17 HD2 HIS 17 -4.303 16.421 7.390 10 HE1 HIS 17 HE1 HIS 17 -4.405 19.254 10.529 11 HE2 HIS 17 HE2 HIS 17 -3.082 17.360 9.477 12 H ILE 18 HN ILE 18 -6.167 16.597 4.208 13 HA ILE 18 HA ILE 18 -8.576 17.186 2.644 14 HB ILE 18 HB ILE 18 -6.666 17.756 1.223 15 HG12 ILE 18 HG12 ILE 18 -7.865 15.148 0.285 16 HG13 ILE 18 HG11 ILE 18 -8.737 16.679 0.286 17 HG21 ILE 18 HG21 ILE 18 -5.065 16.056 0.495 18 HG22 ILE 18 HG22 ILE 18 -5.777 14.909 1.625 19 HG23 ILE 18 HG23 ILE 18 -4.965 16.350 2.231 20 HD11 ILE 18 HD11 ILE 18 -6.210 16.079 -1.239 21 HD12 ILE 18 HD12 ILE 18 -7.070 17.618 -1.237 22 HD13 ILE 18 HD13 ILE 18 -7.837 16.182 -1.912 23 H ASN 19 HN ASN 19 -9.979 15.542 2.621 24 HA ASN 19 HA ASN 19 -9.196 13.068 3.938 25 HB2 ASN 19 HB2 ASN 19 -11.841 14.240 3.108 26 HB3 ASN 19 HB1 ASN 19 -11.708 12.553 3.591 27 HD21 ASN 19 HD21 ASN 19 -11.635 15.847 4.627 28 HD22 ASN 19 HD22 ASN 19 -11.614 15.533 6.325 29 H LEU 20 HN LEU 20 -7.917 12.041 2.461 30 HA LEU 20 HA LEU 20 -9.064 11.390 -0.150 31 HB2 LEU 20 HB2 LEU 20 -6.301 10.938 0.986 32 HB3 LEU 20 HB1 LEU 20 -6.802 10.445 -0.617 33 HG LEU 20 HG LEU 20 -6.740 13.305 0.349 34 HD11 LEU 20 HD11 LEU 20 -4.816 11.831 -1.441 35 HD12 LEU 20 HD12 LEU 20 -4.495 12.363 0.210 36 HD13 LEU 20 HD13 LEU 20 -4.774 13.554 -1.061 37 HD21 LEU 20 HD21 LEU 20 -6.983 13.818 -2.056 38 HD22 LEU 20 HD22 LEU 20 -8.379 12.972 -1.388 39 HD23 LEU 20 HD23 LEU 20 -7.205 12.097 -2.372 40 H LYS 21 HN LYS 21 -9.808 9.404 -0.634 41 HA LYS 21 HA LYS 21 -9.646 7.377 1.483 42 HB2 LYS 21 HB2 LYS 21 -11.547 7.505 -0.861 43 HB3 LYS 21 HB1 LYS 21 -11.611 6.365 0.478 44 HG2 LYS 21 HG2 LYS 21 -12.107 8.175 2.018 45 HG3 LYS 21 HG1 LYS 21 -11.996 9.346 0.699 46 HD2 LYS 21 HD2 LYS 21 -13.791 7.815 -0.421 47 HD3 LYS 21 HD1 LYS 21 -14.079 7.269 1.232 48 HE2 LYS 21 HE2 LYS 21 -14.683 9.438 1.946 49 HE3 LYS 21 HE1 LYS 21 -14.058 10.177 0.472 50 HZ1 LYS 21 HZ1 LYS 21 -16.344 10.144 0.169 51 HZ2 LYS 21 HZ2 LYS 21 -16.522 8.589 0.825 52 HZ3 LYS 21 HZ3 LYS 21 -15.818 8.787 -0.699 53 H VAL 22 HN VAL 22 -8.777 5.444 1.127 54 HA VAL 22 HA VAL 22 -7.798 4.833 -1.584 55 HB VAL 22 HB VAL 22 -6.446 4.055 1.013 56 HG11 VAL 22 HG11 VAL 22 -6.063 2.488 -0.809 57 HG12 VAL 22 HG12 VAL 22 -4.591 3.382 -0.431 58 HG13 VAL 22 HG13 VAL 22 -5.541 3.811 -1.854 59 HG21 VAL 22 HG21 VAL 22 -4.718 5.690 0.427 60 HG22 VAL 22 HG22 VAL 22 -6.283 6.461 0.682 61 HG23 VAL 22 HG23 VAL 22 -5.682 6.208 -0.956 62 H ALA 23 HN ALA 23 -8.514 2.922 -2.371 63 HA ALA 23 HA ALA 23 -9.854 1.129 -0.456 64 HB1 ALA 23 HB1 ALA 23 -11.317 0.446 -2.299 65 HB2 ALA 23 HB2 ALA 23 -10.508 1.600 -3.356 66 HB3 ALA 23 HB3 ALA 23 -11.429 2.174 -1.968 67 H GLY 24 HN GLY 24 -9.056 -0.820 -0.207 68 HA2 GLY 24 HA2 GLY 24 -6.912 -1.743 -1.918 69 HA3 GLY 24 HA1 GLY 24 -7.491 -2.523 -0.454 70 H GLN 25 HN GLN 25 -7.091 -4.384 -2.059 71 HA GLN 25 HA GLN 25 -8.999 -4.790 -4.138 72 HB2 GLN 25 HB2 GLN 25 -6.971 -6.534 -2.778 73 HB3 GLN 25 HB1 GLN 25 -8.142 -7.233 -3.887 74 HG2 GLN 25 HG2 GLN 25 -6.193 -5.039 -4.558 75 HG3 GLN 25 HG1 GLN 25 -6.009 -6.741 -4.977 76 HE21 GLN 25 HE21 GLN 25 -7.443 -3.748 -5.801 77 HE22 GLN 25 HE22 GLN 25 -8.283 -4.283 -7.217 78 H ASP 26 HN ASP 26 -9.022 -5.323 -0.734 79 HA ASP 26 HA ASP 26 -11.188 -7.249 -0.834 80 HB2 ASP 26 HB2 ASP 26 -10.882 -7.545 1.449 81 HB3 ASP 26 HB1 ASP 26 -9.263 -7.086 0.935 82 H GLY 27 HN GLY 27 -10.761 -3.839 -0.546 83 HA2 GLY 27 HA2 GLY 27 -12.681 -2.450 -1.111 84 HA3 GLY 27 HA1 GLY 27 -13.673 -3.556 -0.176 85 H SER 28 HN SER 28 -10.642 -2.830 1.225 86 HA SER 28 HA SER 28 -11.782 -1.667 3.513 87 HB2 SER 28 HB2 SER 28 -9.222 -0.868 3.731 88 HB3 SER 28 HB1 SER 28 -9.727 -2.530 4.040 89 HG SER 28 HG SER 28 -8.937 -3.167 2.118 90 H VAL 29 HN VAL 29 -12.527 0.337 3.838 91 HA VAL 29 HA VAL 29 -11.593 2.440 2.022 92 HB VAL 29 HB VAL 29 -13.977 2.192 1.854 93 HG11 VAL 29 HG11 VAL 29 -14.193 1.130 4.166 94 HG12 VAL 29 HG12 VAL 29 -15.512 2.160 3.610 95 HG13 VAL 29 HG13 VAL 29 -14.339 2.782 4.770 96 HG21 VAL 29 HG21 VAL 29 -14.753 4.431 2.528 97 HG22 VAL 29 HG22 VAL 29 -13.176 4.466 1.739 98 HG23 VAL 29 HG23 VAL 29 -13.287 4.624 3.491 99 H VAL 30 HN VAL 30 -9.869 3.323 2.914 100 HA VAL 30 HA VAL 30 -9.734 3.769 5.783 101 HB VAL 30 HB VAL 30 -7.461 4.634 5.336 102 HG11 VAL 30 HG11 VAL 30 -6.498 2.588 5.176 103 HG12 VAL 30 HG12 VAL 30 -7.563 2.060 3.867 104 HG13 VAL 30 HG13 VAL 30 -8.163 2.105 5.525 105 HG21 VAL 30 HG21 VAL 30 -6.488 4.430 3.116 106 HG22 VAL 30 HG22 VAL 30 -7.855 5.546 3.112 107 HG23 VAL 30 HG23 VAL 30 -8.047 3.913 2.471 108 H GLN 31 HN GLN 31 -9.207 5.782 6.704 109 HA GLN 31 HA GLN 31 -10.113 8.125 5.159 110 HB2 GLN 31 HB2 GLN 31 -11.442 7.320 7.276 111 HB3 GLN 31 HB1 GLN 31 -10.105 8.042 8.165 112 HG2 GLN 31 HG2 GLN 31 -10.568 10.132 6.744 113 HG3 GLN 31 HG1 GLN 31 -12.115 9.364 6.386 114 HE21 GLN 31 HE21 GLN 31 -11.635 11.826 7.787 115 HE22 GLN 31 HE22 GLN 31 -12.304 11.637 9.374 116 H PHE 32 HN PHE 32 -8.136 8.731 4.389 117 HA PHE 32 HA PHE 32 -5.811 8.772 6.085 118 HB2 PHE 32 HB2 PHE 32 -6.389 9.061 3.239 119 HB3 PHE 32 HB1 PHE 32 -5.141 10.169 3.802 120 HD1 PHE 32 HD1 PHE 32 -5.998 6.724 3.101 121 HD2 PHE 32 HD2 PHE 32 -3.077 9.305 4.796 122 HE1 PHE 32 HE1 PHE 32 -4.349 4.904 3.011 123 HE2 PHE 32 HE2 PHE 32 -1.415 7.491 4.709 124 HZ PHE 32 HZ PHE 32 -2.052 5.282 3.817 125 H LYS 33 HN LYS 33 -5.583 10.289 7.568 126 HA LYS 33 HA LYS 33 -6.582 12.982 7.106 127 HB2 LYS 33 HB2 LYS 33 -6.783 11.885 9.354 128 HB3 LYS 33 HB1 LYS 33 -5.027 11.904 9.474 129 HG2 LYS 33 HG2 LYS 33 -5.333 14.466 9.033 130 HG3 LYS 33 HG1 LYS 33 -6.965 14.159 9.629 131 HD2 LYS 33 HD2 LYS 33 -6.026 13.202 11.680 132 HD3 LYS 33 HD1 LYS 33 -4.399 13.514 11.076 133 HE2 LYS 33 HE2 LYS 33 -4.938 15.928 10.978 134 HE3 LYS 33 HE1 LYS 33 -6.510 15.575 11.695 135 HZ1 LYS 33 HZ1 LYS 33 -5.027 16.273 13.406 136 HZ2 LYS 33 HZ2 LYS 33 -3.854 15.153 12.941 137 HZ3 LYS 33 HZ3 LYS 33 -5.307 14.619 13.616 138 H ILE 34 HN ILE 34 -5.212 13.373 5.290 139 HA ILE 34 HA ILE 34 -2.412 13.924 6.031 140 HB ILE 34 HB ILE 34 -2.547 12.027 4.499 141 HG12 ILE 34 HG12 ILE 34 -1.629 14.313 2.775 142 HG13 ILE 34 HG11 ILE 34 -0.751 13.885 4.237 143 HG21 ILE 34 HG21 ILE 34 -4.703 12.520 3.489 144 HG22 ILE 34 HG22 ILE 34 -3.476 12.229 2.257 145 HG23 ILE 34 HG23 ILE 34 -3.992 13.876 2.613 146 HD11 ILE 34 HD11 ILE 34 0.385 12.716 2.612 147 HD12 ILE 34 HD12 ILE 34 -1.082 12.348 1.705 148 HD13 ILE 34 HD13 ILE 34 -0.741 11.499 3.213 149 H LYS 35 HN LYS 35 -1.420 15.712 4.758 150 HA LYS 35 HA LYS 35 -3.337 17.866 4.355 151 HB2 LYS 35 HB2 LYS 35 -0.315 17.843 4.461 152 HB3 LYS 35 HB1 LYS 35 -1.271 19.286 4.153 153 HG2 LYS 35 HG2 LYS 35 -2.397 18.874 6.369 154 HG3 LYS 35 HG1 LYS 35 -1.173 17.635 6.663 155 HD2 LYS 35 HD2 LYS 35 0.537 19.472 6.143 156 HD3 LYS 35 HD1 LYS 35 -0.804 20.603 6.340 157 HE2 LYS 35 HE2 LYS 35 -1.045 20.108 8.599 158 HE3 LYS 35 HE1 LYS 35 -0.216 18.561 8.451 159 HZ1 LYS 35 HZ1 LYS 35 1.851 19.832 7.989 160 HZ2 LYS 35 HZ2 LYS 35 1.227 20.086 9.549 161 HZ3 LYS 35 HZ3 LYS 35 1.012 21.259 8.354 162 H ARG 36 HN ARG 36 -2.426 19.425 2.415 163 HA ARG 36 HA ARG 36 -2.738 17.719 0.075 164 HB2 ARG 36 HB2 ARG 36 -2.809 20.727 0.338 165 HB3 ARG 36 HB1 ARG 36 -3.126 19.835 -1.145 166 HG2 ARG 36 HG2 ARG 36 -5.054 18.780 -0.136 167 HG3 ARG 36 HG1 ARG 36 -4.715 19.579 1.398 168 HD2 ARG 36 HD2 ARG 36 -6.398 20.875 0.421 169 HD3 ARG 36 HD1 ARG 36 -4.911 21.768 0.110 170 HE ARG 36 HE ARG 36 -4.993 21.000 -2.168 171 HH11 ARG 36 HH11 ARG 36 -7.875 20.368 -0.250 172 HH12 ARG 36 HH12 ARG 36 -8.953 20.227 -1.695 173 HH21 ARG 36 HH21 ARG 36 -6.319 20.837 -4.022 174 HH22 ARG 36 HH22 ARG 36 -8.088 20.515 -3.799 175 H HIS 37 HN HIS 37 -0.180 19.205 1.720 176 HA HIS 37 HA HIS 37 1.424 19.320 -0.734 177 HB2 HIS 37 HB2 HIS 37 2.988 20.720 0.437 178 HB3 HIS 37 HB1 HIS 37 1.374 21.353 0.713 179 HD2 HIS 37 HD2 HIS 37 3.893 19.064 2.726 180 HE1 HIS 37 HE1 HIS 37 1.746 21.552 5.376 181 HE2 HIS 37 HE2 HIS 37 3.284 19.559 5.199 182 H THR 38 HN THR 38 0.810 17.255 1.815 183 HA THR 38 HA THR 38 3.421 16.219 2.268 184 HB THR 38 HB THR 38 0.875 14.679 2.711 185 HG1 THR 38 HG1 THR 38 1.949 16.724 4.406 186 HG21 THR 38 HG21 THR 38 3.111 13.638 3.172 187 HG22 THR 38 HG22 THR 38 2.056 13.740 4.582 188 HG23 THR 38 HG23 THR 38 3.383 14.888 4.384 189 HA PRO 39 HA PRO 39 3.991 13.990 -1.558 190 HB2 PRO 39 HB2 PRO 39 5.657 12.243 0.183 191 HB3 PRO 39 HB1 PRO 39 6.074 13.052 -1.335 192 HG2 PRO 39 HG2 PRO 39 6.988 13.984 0.971 193 HG3 PRO 39 HG1 PRO 39 6.472 15.082 -0.324 194 HD2 PRO 39 HD2 PRO 39 5.073 14.367 2.208 195 HD3 PRO 39 HD1 PRO 39 5.126 15.913 1.337 196 H LEU 40 HN LEU 40 2.949 12.366 -2.518 197 HA LEU 40 HA LEU 40 1.139 10.733 -1.056 198 HB2 LEU 40 HB2 LEU 40 2.001 10.787 -3.936 199 HB3 LEU 40 HB1 LEU 40 0.885 9.577 -3.337 200 HG LEU 40 HG LEU 40 0.429 12.564 -3.284 201 HD11 LEU 40 HD11 LEU 40 -1.294 12.089 -4.954 202 HD12 LEU 40 HD12 LEU 40 -0.798 10.397 -4.979 203 HD13 LEU 40 HD13 LEU 40 0.314 11.648 -5.529 204 HD21 LEU 40 HD21 LEU 40 -1.264 10.246 -2.368 205 HD22 LEU 40 HD22 LEU 40 -1.902 11.862 -2.664 206 HD23 LEU 40 HD23 LEU 40 -0.689 11.611 -1.408 207 H SER 41 HN SER 41 4.425 10.390 -1.879 208 HA SER 41 HA SER 41 4.678 7.604 -2.056 209 HB2 SER 41 HB2 SER 41 6.936 8.804 -0.719 210 HB3 SER 41 HB1 SER 41 6.825 8.195 -2.373 211 HG SER 41 HG SER 41 7.165 10.290 -2.710 212 H LYS 42 HN LYS 42 4.459 9.801 0.654 213 HA LYS 42 HA LYS 42 5.119 7.901 2.682 214 HB2 LYS 42 HB2 LYS 42 5.317 10.390 2.895 215 HB3 LYS 42 HB1 LYS 42 3.563 10.486 2.926 216 HG2 LYS 42 HG2 LYS 42 3.499 9.220 4.987 217 HG3 LYS 42 HG1 LYS 42 5.253 9.018 4.938 218 HD2 LYS 42 HD2 LYS 42 5.540 11.439 5.080 219 HD3 LYS 42 HD1 LYS 42 3.790 11.648 5.122 220 HE2 LYS 42 HE2 LYS 42 4.988 11.768 7.332 221 HE3 LYS 42 HE1 LYS 42 3.624 10.656 7.249 222 HZ1 LYS 42 HZ1 LYS 42 5.191 8.838 6.958 223 HZ2 LYS 42 HZ2 LYS 42 5.482 9.678 8.401 224 HZ3 LYS 42 HZ3 LYS 42 6.490 9.918 7.058 225 H LEU 43 HN LEU 43 2.249 8.908 1.016 226 HA LEU 43 HA LEU 43 0.317 7.823 2.781 227 HB2 LEU 43 HB2 LEU 43 0.050 9.538 0.850 228 HB3 LEU 43 HB1 LEU 43 -0.098 8.126 -0.176 229 HG LEU 43 HG LEU 43 -1.845 8.179 2.208 230 HD11 LEU 43 HD11 LEU 43 -1.992 10.493 1.537 231 HD12 LEU 43 HD12 LEU 43 -3.470 9.646 1.078 232 HD13 LEU 43 HD13 LEU 43 -2.252 10.021 -0.143 233 HD21 LEU 43 HD21 LEU 43 -2.234 7.488 -0.704 234 HD22 LEU 43 HD22 LEU 43 -3.449 7.297 0.559 235 HD23 LEU 43 HD23 LEU 43 -1.959 6.356 0.620 236 H MET 44 HN MET 44 2.005 6.572 -0.052 237 HA MET 44 HA MET 44 0.575 4.155 -0.281 238 HB2 MET 44 HB2 MET 44 3.409 4.838 -1.082 239 HB3 MET 44 HB1 MET 44 2.595 3.343 -1.525 240 HG2 MET 44 HG2 MET 44 0.816 4.810 -2.587 241 HG3 MET 44 HG1 MET 44 1.950 6.143 -2.385 242 HE1 MET 44 HE1 MET 44 4.281 6.334 -3.699 243 HE2 MET 44 HE2 MET 44 4.968 4.985 -4.604 244 HE3 MET 44 HE3 MET 44 4.735 4.850 -2.862 245 H LYS 45 HN LYS 45 3.571 4.975 1.427 246 HA LYS 45 HA LYS 45 4.191 2.428 2.399 247 HB2 LYS 45 HB2 LYS 45 4.715 5.069 3.776 248 HB3 LYS 45 HB1 LYS 45 5.558 3.558 4.072 249 HG2 LYS 45 HG2 LYS 45 6.535 3.616 1.872 250 HG3 LYS 45 HG1 LYS 45 5.597 5.054 1.460 251 HD2 LYS 45 HD2 LYS 45 6.720 6.218 3.378 252 HD3 LYS 45 HD1 LYS 45 7.769 4.809 3.529 253 HE2 LYS 45 HE2 LYS 45 8.638 5.153 1.312 254 HE3 LYS 45 HE1 LYS 45 7.487 6.458 1.024 255 HZ1 LYS 45 HZ1 LYS 45 8.555 7.724 2.798 256 HZ2 LYS 45 HZ2 LYS 45 9.649 7.341 1.568 257 HZ3 LYS 45 HZ3 LYS 45 9.685 6.484 3.025 258 H ALA 46 HN ALA 46 2.176 4.991 3.753 259 HA ALA 46 HA ALA 46 1.670 3.895 6.261 260 HB1 ALA 46 HB1 ALA 46 1.075 6.170 5.722 261 HB2 ALA 46 HB2 ALA 46 -0.358 5.298 6.270 262 HB3 ALA 46 HB3 ALA 46 -0.118 5.612 4.551 263 H TYR 47 HN TYR 47 -0.054 3.354 3.190 264 HA TYR 47 HA TYR 47 -2.040 1.685 4.362 265 HB2 TYR 47 HB2 TYR 47 -2.315 2.834 2.156 266 HB3 TYR 47 HB1 TYR 47 -1.144 1.711 1.473 267 HD1 TYR 47 HD1 TYR 47 -1.890 -0.299 0.552 268 HD2 TYR 47 HD2 TYR 47 -4.393 1.772 3.296 269 HE1 TYR 47 HE1 TYR 47 -3.688 -1.920 0.129 270 HE2 TYR 47 HE2 TYR 47 -6.201 0.156 2.880 271 HH TYR 47 HH TYR 47 -6.903 -1.532 1.540 272 H CYS 48 HN CYS 48 1.062 1.082 2.785 273 HA CYS 48 HA CYS 48 0.921 -1.716 2.701 274 HB2 CYS 48 HB2 CYS 48 3.314 0.115 2.957 275 HB3 CYS 48 HB1 CYS 48 3.423 -1.613 2.635 276 HG CYS 48 HG CYS 48 2.744 -1.572 0.103 277 H GLU 49 HN GLU 49 2.183 0.475 5.187 278 HA GLU 49 HA GLU 49 3.024 -1.534 6.996 279 HB2 GLU 49 HB2 GLU 49 2.218 1.338 7.507 280 HB3 GLU 49 HB1 GLU 49 3.035 0.304 8.668 281 HG2 GLU 49 HG2 GLU 49 4.314 0.635 6.024 282 HG3 GLU 49 HG1 GLU 49 4.326 2.022 7.110 283 H ARG 50 HN ARG 50 -0.050 -0.115 6.304 284 HA ARG 50 HA ARG 50 -1.342 -0.788 8.748 285 HB2 ARG 50 HB2 ARG 50 -2.002 0.864 6.776 286 HB3 ARG 50 HB1 ARG 50 -2.886 -0.548 6.215 287 HG2 ARG 50 HG2 ARG 50 -4.440 0.643 7.462 288 HG3 ARG 50 HG1 ARG 50 -3.894 -0.620 8.567 289 HD2 ARG 50 HD2 ARG 50 -2.438 1.962 8.583 290 HD3 ARG 50 HD1 ARG 50 -4.049 1.930 9.284 291 HE ARG 50 HE ARG 50 -1.892 0.126 10.176 292 HH11 ARG 50 HH11 ARG 50 -4.598 2.290 10.814 293 HH12 ARG 50 HH12 ARG 50 -4.453 2.117 12.604 294 HH21 ARG 50 HH21 ARG 50 -2.827 0.771 13.509 295 HH22 ARG 50 HH22 ARG 50 -1.693 -0.131 12.435 296 H GLN 51 HN GLN 51 -1.348 -2.269 5.515 297 HA GLN 51 HA GLN 51 -2.902 -4.518 6.460 298 HB2 GLN 51 HB2 GLN 51 -1.555 -4.127 3.783 299 HB3 GLN 51 HB1 GLN 51 -2.790 -5.317 4.166 300 HG2 GLN 51 HG2 GLN 51 -3.133 -2.326 4.107 301 HG3 GLN 51 HG1 GLN 51 -3.754 -3.488 2.936 302 HE21 GLN 51 HE21 GLN 51 -5.492 -4.799 3.505 303 HE22 GLN 51 HE22 GLN 51 -6.516 -4.428 4.846 304 H GLY 52 HN GLY 52 0.417 -3.728 6.209 305 HA2 GLY 52 HA2 GLY 52 2.205 -4.978 7.044 306 HA3 GLY 52 HA1 GLY 52 1.135 -6.368 7.179 307 H LEU 53 HN LEU 53 1.760 -4.338 4.383 308 HA LEU 53 HA LEU 53 2.885 -6.678 2.989 309 HB2 LEU 53 HB2 LEU 53 1.259 -4.483 1.708 310 HB3 LEU 53 HB1 LEU 53 1.814 -5.968 0.961 311 HG LEU 53 HG LEU 53 -0.212 -5.853 3.193 312 HD11 LEU 53 HD11 LEU 53 -1.869 -6.348 1.464 313 HD12 LEU 53 HD12 LEU 53 -0.623 -6.191 0.226 314 HD13 LEU 53 HD13 LEU 53 -1.092 -4.790 1.189 315 HD21 LEU 53 HD21 LEU 53 1.030 -7.954 3.081 316 HD22 LEU 53 HD22 LEU 53 0.635 -8.103 1.370 317 HD23 LEU 53 HD23 LEU 53 -0.647 -8.181 2.579 318 H SER 54 HN SER 54 4.092 -5.899 0.947 319 HA SER 54 HA SER 54 5.929 -3.797 1.801 320 HB2 SER 54 HB2 SER 54 7.049 -5.814 1.182 321 HB3 SER 54 HB1 SER 54 6.096 -5.975 -0.291 322 HG SER 54 HG SER 54 8.376 -5.080 -0.360 323 H MET 55 HN MET 55 6.561 -2.097 0.369 324 HA MET 55 HA MET 55 4.385 -0.991 -1.113 325 HB2 MET 55 HB2 MET 55 6.084 0.353 0.143 326 HB3 MET 55 HB1 MET 55 7.272 -0.091 -1.071 327 HG2 MET 55 HG2 MET 55 6.155 1.132 -2.753 328 HG3 MET 55 HG1 MET 55 4.718 1.333 -1.754 329 HE1 MET 55 HE1 MET 55 8.543 2.179 -2.023 330 HE2 MET 55 HE2 MET 55 8.377 1.721 -0.327 331 HE3 MET 55 HE3 MET 55 8.731 3.394 -0.761 332 H ARG 56 HN ARG 56 6.909 -3.132 -1.814 333 HA ARG 56 HA ARG 56 6.897 -2.606 -4.681 334 HB2 ARG 56 HB2 ARG 56 8.979 -3.187 -3.294 335 HB3 ARG 56 HB1 ARG 56 8.350 -4.825 -3.237 336 HG2 ARG 56 HG2 ARG 56 8.526 -5.048 -5.611 337 HG3 ARG 56 HG1 ARG 56 8.947 -3.342 -5.788 338 HD2 ARG 56 HD2 ARG 56 10.996 -3.721 -4.502 339 HD3 ARG 56 HD1 ARG 56 10.573 -5.420 -4.323 340 HE ARG 56 HE ARG 56 10.966 -5.724 -6.650 341 HH11 ARG 56 HH11 ARG 56 12.979 -2.212 -6.782 342 HH12 ARG 56 HH12 ARG 56 11.814 -2.528 -5.442 343 HH21 ARG 56 HH21 ARG 56 13.303 -3.763 -8.432 344 HH22 ARG 56 HH22 ARG 56 12.426 -5.339 -8.381 345 H GLN 57 HN GLN 57 5.061 -4.297 -2.499 346 HA GLN 57 HA GLN 57 4.531 -6.608 -4.188 347 HB2 GLN 57 HB2 GLN 57 4.676 -6.853 -1.730 348 HB3 GLN 57 HB1 GLN 57 3.280 -5.797 -1.558 349 HG2 GLN 57 HG2 GLN 57 1.978 -7.448 -2.907 350 HG3 GLN 57 HG1 GLN 57 3.367 -8.529 -2.809 351 HE21 GLN 57 HE21 GLN 57 0.654 -8.863 -1.788 352 HE22 GLN 57 HE22 GLN 57 0.818 -9.137 -0.086 353 H ILE 58 HN ILE 58 2.921 -3.641 -3.140 354 HA ILE 58 HA ILE 58 0.699 -4.295 -4.958 355 HB ILE 58 HB ILE 58 -0.568 -2.525 -3.637 356 HG12 ILE 58 HG12 ILE 58 1.669 -3.052 -1.664 357 HG13 ILE 58 HG11 ILE 58 1.382 -1.533 -2.503 358 HG21 ILE 58 HG21 ILE 58 -1.069 -4.884 -3.454 359 HG22 ILE 58 HG22 ILE 58 -1.168 -4.127 -1.866 360 HG23 ILE 58 HG23 ILE 58 0.239 -5.100 -2.291 361 HD11 ILE 58 HD11 ILE 58 -0.496 -2.828 -0.541 362 HD12 ILE 58 HD12 ILE 58 -0.739 -1.280 -1.353 363 HD13 ILE 58 HD13 ILE 58 0.585 -1.476 -0.204 364 H ARG 59 HN ARG 59 -0.401 -2.313 -5.864 365 HA ARG 59 HA ARG 59 1.507 -0.157 -6.474 366 HB2 ARG 59 HB2 ARG 59 -0.188 -1.663 -8.476 367 HB3 ARG 59 HB1 ARG 59 0.674 -0.175 -8.832 368 HG2 ARG 59 HG2 ARG 59 1.889 -2.822 -8.066 369 HG3 ARG 59 HG1 ARG 59 1.925 -2.056 -9.653 370 HD2 ARG 59 HD2 ARG 59 3.189 -0.165 -8.653 371 HD3 ARG 59 HD1 ARG 59 3.242 -1.055 -7.131 372 HE ARG 59 HE ARG 59 4.764 -1.597 -9.536 373 HH11 ARG 59 HH11 ARG 59 4.981 -4.019 -6.298 374 HH12 ARG 59 HH12 ARG 59 3.748 -2.696 -6.349 375 HH21 ARG 59 HH21 ARG 59 6.377 -3.198 -9.478 376 HH22 ARG 59 HH22 ARG 59 6.468 -4.288 -8.039 377 H PHE 60 HN PHE 60 0.595 1.855 -6.796 378 HA PHE 60 HA PHE 60 -2.260 2.063 -6.100 379 HB2 PHE 60 HB2 PHE 60 0.045 3.942 -5.563 380 HB3 PHE 60 HB1 PHE 60 -1.640 4.384 -5.315 381 HD1 PHE 60 HD1 PHE 60 0.790 1.717 -4.358 382 HD2 PHE 60 HD2 PHE 60 -2.552 4.097 -3.225 383 HE1 PHE 60 HE1 PHE 60 0.878 0.757 -2.097 384 HE2 PHE 60 HE2 PHE 60 -2.468 3.141 -0.962 385 HZ PHE 60 HZ PHE 60 -0.748 1.468 -0.398 386 H ARG 61 HN ARG 61 -3.602 3.328 -7.324 387 HA ARG 61 HA ARG 61 -2.413 4.731 -9.621 388 HB2 ARG 61 HB2 ARG 61 -4.705 2.773 -9.676 389 HB3 ARG 61 HB1 ARG 61 -4.419 3.932 -10.965 390 HG2 ARG 61 HG2 ARG 61 -2.183 2.957 -11.309 391 HG3 ARG 61 HG1 ARG 61 -2.547 1.751 -10.072 392 HD2 ARG 61 HD2 ARG 61 -4.552 1.111 -11.444 393 HD3 ARG 61 HD1 ARG 61 -3.920 2.148 -12.720 394 HE ARG 61 HE ARG 61 -1.840 0.611 -12.408 395 HH11 ARG 61 HH11 ARG 61 -4.924 -1.974 -12.900 396 HH12 ARG 61 HH12 ARG 61 -5.231 -0.298 -12.311 397 HH21 ARG 61 HH21 ARG 61 -1.400 -1.507 -13.181 398 HH22 ARG 61 HH22 ARG 61 -2.782 -2.643 -13.401 399 H PHE 62 HN PHE 62 -3.342 6.608 -10.197 400 HA PHE 62 HA PHE 62 -5.758 7.478 -8.746 401 HB2 PHE 62 HB2 PHE 62 -4.035 8.680 -7.663 402 HB3 PHE 62 HB1 PHE 62 -3.142 8.921 -9.159 403 HD1 PHE 62 HD1 PHE 62 -6.278 9.890 -7.417 404 HD2 PHE 62 HD2 PHE 62 -3.377 10.895 -10.367 405 HE1 PHE 62 HE1 PHE 62 -7.309 12.111 -7.669 406 HE2 PHE 62 HE2 PHE 62 -4.403 13.114 -10.620 407 HZ PHE 62 HZ PHE 62 -6.369 13.724 -9.275 408 H ASP 63 HN ASP 63 -7.336 8.006 -10.104 409 HA ASP 63 HA ASP 63 -8.492 8.499 -11.996 410 HB2 ASP 63 HB2 ASP 63 -6.957 10.629 -11.571 411 HB3 ASP 63 HB1 ASP 63 -6.238 10.117 -13.096 412 H GLY 64 HN GLY 64 -6.519 6.254 -11.992 413 HA2 GLY 64 HA2 GLY 64 -6.407 4.549 -13.625 414 HA3 GLY 64 HA1 GLY 64 -6.619 5.765 -14.873 415 H GLN 65 HN GLN 65 -4.454 7.309 -13.211 416 HA GLN 65 HA GLN 65 -2.224 6.134 -14.697 417 HB2 GLN 65 HB2 GLN 65 -2.633 8.842 -13.425 418 HB3 GLN 65 HB1 GLN 65 -1.077 8.315 -14.055 419 HG2 GLN 65 HG2 GLN 65 -3.626 8.607 -15.626 420 HG3 GLN 65 HG1 GLN 65 -2.240 9.697 -15.666 421 HE21 GLN 65 HE21 GLN 65 -0.349 9.034 -16.696 422 HE22 GLN 65 HE22 GLN 65 -0.318 7.701 -17.796 423 HA PRO 66 HA PRO 66 -0.420 4.505 -10.999 424 HB2 PRO 66 HB2 PRO 66 2.175 4.349 -11.778 425 HB3 PRO 66 HB1 PRO 66 0.930 3.242 -12.378 426 HG2 PRO 66 HG2 PRO 66 2.091 5.656 -13.695 427 HG3 PRO 66 HG1 PRO 66 1.695 4.073 -14.396 428 HD2 PRO 66 HD2 PRO 66 0.090 6.234 -14.681 429 HD3 PRO 66 HD1 PRO 66 -0.531 4.573 -14.617 430 H ILE 67 HN ILE 67 0.565 5.237 -9.151 431 HA ILE 67 HA ILE 67 1.303 8.050 -9.120 432 HB ILE 67 HB ILE 67 1.017 6.106 -6.818 433 HG12 ILE 67 HG12 ILE 67 -0.898 8.183 -7.910 434 HG13 ILE 67 HG11 ILE 67 -1.109 6.439 -7.979 435 HG21 ILE 67 HG21 ILE 67 1.224 9.118 -6.810 436 HG22 ILE 67 HG22 ILE 67 2.483 7.995 -6.293 437 HG23 ILE 67 HG23 ILE 67 0.966 8.094 -5.397 438 HD11 ILE 67 HD11 ILE 67 -1.096 8.151 -5.511 439 HD12 ILE 67 HD12 ILE 67 -1.198 6.391 -5.514 440 HD13 ILE 67 HD13 ILE 67 -2.488 7.350 -6.242 441 H ASN 68 HN ASN 68 3.315 8.832 -8.700 442 HA ASN 68 HA ASN 68 5.494 6.867 -8.707 443 HB2 ASN 68 HB2 ASN 68 5.611 9.860 -9.149 444 HB3 ASN 68 HB1 ASN 68 6.937 8.725 -9.369 445 HD21 ASN 68 HD21 ASN 68 3.924 9.902 -10.624 446 HD22 ASN 68 HD22 ASN 68 4.077 9.191 -12.201 447 H GLU 69 HN GLU 69 7.470 7.533 -7.422 448 HA GLU 69 HA GLU 69 6.695 7.824 -4.678 449 HB2 GLU 69 HB2 GLU 69 9.356 7.493 -6.047 450 HB3 GLU 69 HB1 GLU 69 9.206 7.680 -4.306 451 HG2 GLU 69 HG2 GLU 69 7.983 5.658 -4.107 452 HG3 GLU 69 HG1 GLU 69 7.798 5.529 -5.854 453 H THR 70 HN THR 70 6.977 10.123 -6.944 454 HA THR 70 HA THR 70 7.918 12.100 -4.979 455 HB THR 70 HB THR 70 8.327 12.576 -7.910 456 HG1 THR 70 HG1 THR 70 9.968 10.996 -6.193 457 HG21 THR 70 HG21 THR 70 8.705 14.419 -6.353 458 HG22 THR 70 HG22 THR 70 10.226 13.897 -7.076 459 HG23 THR 70 HG23 THR 70 9.828 13.419 -5.427 460 H ASP 71 HN ASP 71 5.230 11.035 -6.041 461 HA ASP 71 HA ASP 71 4.097 13.394 -7.281 462 HB2 ASP 71 HB2 ASP 71 3.196 10.627 -6.773 463 HB3 ASP 71 HB1 ASP 71 1.935 11.858 -6.738 464 H THR 72 HN THR 72 2.324 14.557 -6.419 465 HA THR 72 HA THR 72 1.941 14.396 -3.521 466 HB THR 72 HB THR 72 1.946 17.113 -3.943 467 HG1 THR 72 HG1 THR 72 4.125 15.975 -5.396 468 HG21 THR 72 HG21 THR 72 4.290 15.427 -3.057 469 HG22 THR 72 HG22 THR 72 2.943 15.924 -2.032 470 HG23 THR 72 HG23 THR 72 4.044 17.134 -2.693 471 HA PRO 73 HA PRO 73 -2.337 14.942 -4.504 472 HB2 PRO 73 HB2 PRO 73 -2.506 16.873 -2.258 473 HB3 PRO 73 HB1 PRO 73 -3.407 15.375 -2.525 474 HG2 PRO 73 HG2 PRO 73 -1.494 15.491 -0.682 475 HG3 PRO 73 HG1 PRO 73 -1.737 14.036 -1.671 476 HD2 PRO 73 HD2 PRO 73 0.359 16.150 -1.908 477 HD3 PRO 73 HD1 PRO 73 0.489 14.395 -2.142 478 H ALA 74 HN ALA 74 -0.667 17.933 -3.567 479 HA ALA 74 HA ALA 74 -2.401 19.684 -4.950 480 HB1 ALA 74 HB1 ALA 74 -0.608 21.349 -4.624 481 HB2 ALA 74 HB2 ALA 74 0.444 20.065 -4.032 482 HB3 ALA 74 HB3 ALA 74 -1.021 20.483 -3.146 483 H GLN 75 HN GLN 75 0.463 17.904 -5.924 484 HA GLN 75 HA GLN 75 0.917 19.354 -8.339 485 HB2 GLN 75 HB2 GLN 75 2.495 17.750 -6.983 486 HB3 GLN 75 HB1 GLN 75 1.763 16.505 -7.984 487 HG2 GLN 75 HG2 GLN 75 3.819 17.228 -8.984 488 HG3 GLN 75 HG1 GLN 75 2.465 17.738 -9.993 489 HE21 GLN 75 HE21 GLN 75 3.622 19.380 -10.963 490 HE22 GLN 75 HE22 GLN 75 4.058 20.830 -10.128 491 H LEU 76 HN LEU 76 -0.883 16.466 -7.464 492 HA LEU 76 HA LEU 76 -1.644 15.976 -10.226 493 HB2 LEU 76 HB2 LEU 76 -2.277 14.559 -7.644 494 HB3 LEU 76 HB1 LEU 76 -2.956 14.081 -9.187 495 HG LEU 76 HG LEU 76 -0.002 14.137 -8.568 496 HD11 LEU 76 HD11 LEU 76 -1.907 11.803 -8.666 497 HD12 LEU 76 HD12 LEU 76 -1.145 12.463 -7.220 498 HD13 LEU 76 HD13 LEU 76 -0.157 11.707 -8.469 499 HD21 LEU 76 HD21 LEU 76 -0.420 14.416 -10.916 500 HD22 LEU 76 HD22 LEU 76 -1.573 13.083 -10.914 501 HD23 LEU 76 HD23 LEU 76 0.139 12.768 -10.631 502 H GLU 77 HN GLU 77 -2.598 18.140 -8.043 503 HA GLU 77 HA GLU 77 -4.443 19.396 -7.648 504 HB2 GLU 77 HB2 GLU 77 -5.157 18.335 -10.386 505 HB3 GLU 77 HB1 GLU 77 -6.074 19.586 -9.559 506 HG2 GLU 77 HG2 GLU 77 -3.138 19.906 -10.012 507 HG3 GLU 77 HG1 GLU 77 -4.295 20.263 -11.294 508 H MET 78 HN MET 78 -4.442 16.945 -6.413 509 HA MET 78 HA MET 78 -6.934 15.580 -6.782 510 HB2 MET 78 HB2 MET 78 -4.952 15.463 -4.503 511 HB3 MET 78 HB1 MET 78 -6.305 14.363 -4.724 512 HG2 MET 78 HG2 MET 78 -5.345 13.497 -6.741 513 HG3 MET 78 HG1 MET 78 -4.064 14.707 -6.694 514 HE1 MET 78 HE1 MET 78 -5.403 11.328 -5.361 515 HE2 MET 78 HE2 MET 78 -5.666 12.348 -3.947 516 HE3 MET 78 HE3 MET 78 -4.453 11.071 -3.897 517 H GLU 79 HN GLU 79 -8.781 15.732 -5.591 518 HA GLU 79 HA GLU 79 -8.913 17.979 -3.691 519 HB2 GLU 79 HB2 GLU 79 -10.092 18.219 -5.983 520 HB3 GLU 79 HB1 GLU 79 -11.250 17.059 -5.351 521 HG2 GLU 79 HG2 GLU 79 -11.823 19.522 -5.144 522 HG3 GLU 79 HG1 GLU 79 -12.001 18.527 -3.701 523 H ASP 80 HN ASP 80 -10.794 17.772 -2.175 524 HA ASP 80 HA ASP 80 -10.579 15.456 -0.633 525 HB2 ASP 80 HB2 ASP 80 -11.559 17.884 -0.149 526 HB3 ASP 80 HB1 ASP 80 -13.083 17.081 -0.501 527 H GLU 81 HN GLU 81 -12.115 13.796 -0.182 528 HA GLU 81 HA GLU 81 -13.628 12.175 -0.648 529 HB2 GLU 81 HB2 GLU 81 -14.754 14.312 -2.442 530 HB3 GLU 81 HB1 GLU 81 -15.462 12.706 -2.341 531 HG2 GLU 81 HG2 GLU 81 -15.054 14.491 0.040 532 HG3 GLU 81 HG1 GLU 81 -16.533 14.462 -0.919 533 H ASP 82 HN ASP 82 -11.087 12.570 -2.233 534 HA ASP 82 HA ASP 82 -11.749 11.341 -4.782 535 HB2 ASP 82 HB2 ASP 82 -9.698 12.990 -4.052 536 HB3 ASP 82 HB1 ASP 82 -8.908 11.416 -3.986 537 H THR 83 HN THR 83 -10.299 9.352 -5.395 538 HA THR 83 HA THR 83 -9.983 7.557 -3.113 539 HB THR 83 HB THR 83 -11.630 6.693 -5.484 540 HG1 THR 83 HG1 THR 83 -12.329 8.051 -3.134 541 HG21 THR 83 HG21 THR 83 -12.263 4.841 -4.035 542 HG22 THR 83 HG22 THR 83 -11.301 5.516 -2.719 543 HG23 THR 83 HG23 THR 83 -10.508 4.919 -4.176 544 H ILE 84 HN ILE 84 -8.193 6.448 -3.268 545 HA ILE 84 HA ILE 84 -6.849 6.212 -5.868 546 HB ILE 84 HB ILE 84 -5.734 5.721 -3.096 547 HG12 ILE 84 HG12 ILE 84 -5.379 8.122 -4.904 548 HG13 ILE 84 HG11 ILE 84 -6.390 8.078 -3.466 549 HG21 ILE 84 HG21 ILE 84 -3.541 5.852 -4.231 550 HG22 ILE 84 HG22 ILE 84 -4.377 5.930 -5.782 551 HG23 ILE 84 HG23 ILE 84 -4.517 4.488 -4.775 552 HD11 ILE 84 HD11 ILE 84 -3.399 7.799 -3.575 553 HD12 ILE 84 HD12 ILE 84 -4.369 7.605 -2.115 554 HD13 ILE 84 HD13 ILE 84 -4.320 9.162 -2.942 555 H ASP 85 HN ASP 85 -6.530 4.253 -6.812 556 HA ASP 85 HA ASP 85 -7.791 1.936 -5.553 557 HB2 ASP 85 HB2 ASP 85 -6.815 2.471 -8.356 558 HB3 ASP 85 HB1 ASP 85 -7.332 0.877 -7.829 559 H VAL 86 HN VAL 86 -6.735 0.119 -4.947 560 HA VAL 86 HA VAL 86 -3.804 0.084 -5.285 561 HB VAL 86 HB VAL 86 -5.346 -1.179 -3.011 562 HG11 VAL 86 HG11 VAL 86 -3.176 -1.487 -1.984 563 HG12 VAL 86 HG12 VAL 86 -2.392 -0.686 -3.344 564 HG13 VAL 86 HG13 VAL 86 -3.194 -2.238 -3.578 565 HG21 VAL 86 HG21 VAL 86 -4.481 0.622 -1.605 566 HG22 VAL 86 HG22 VAL 86 -5.521 1.250 -2.884 567 HG23 VAL 86 HG23 VAL 86 -3.767 1.390 -3.023 568 H PHE 87 HN PHE 87 -3.008 -1.597 -6.365 569 HA PHE 87 HA PHE 87 -4.668 -4.024 -6.628 570 HB2 PHE 87 HB2 PHE 87 -2.937 -2.759 -8.768 571 HB3 PHE 87 HB1 PHE 87 -3.813 -4.277 -8.928 572 HD1 PHE 87 HD1 PHE 87 -6.258 -4.291 -9.071 573 HD2 PHE 87 HD2 PHE 87 -4.046 -0.658 -8.953 574 HE1 PHE 87 HE1 PHE 87 -8.230 -3.071 -9.898 575 HE2 PHE 87 HE2 PHE 87 -6.010 0.571 -9.777 576 HZ PHE 87 HZ PHE 87 -8.107 -0.636 -10.254 577 H GLN 88 HN GLN 88 -3.508 -5.999 -6.830 578 HA GLN 88 HA GLN 88 -0.923 -5.948 -5.500 579 HB2 GLN 88 HB2 GLN 88 -2.755 -8.218 -6.305 580 HB3 GLN 88 HB1 GLN 88 -1.214 -8.445 -5.490 581 HG2 GLN 88 HG2 GLN 88 -3.046 -6.563 -4.180 582 HG3 GLN 88 HG1 GLN 88 -3.600 -8.235 -4.240 583 HE21 GLN 88 HE21 GLN 88 -3.415 -8.317 -1.966 584 HE22 GLN 88 HE22 GLN 88 -1.876 -8.514 -1.205 585 H GLN 89 HN GLN 89 0.993 -6.587 -6.426 586 HA GLN 89 HA GLN 89 1.133 -6.430 -9.290 587 HB2 GLN 89 HB2 GLN 89 2.843 -5.472 -7.723 588 HB3 GLN 89 HB1 GLN 89 3.332 -7.114 -7.332 589 HG2 GLN 89 HG2 GLN 89 4.831 -6.119 -8.950 590 HG3 GLN 89 HG1 GLN 89 3.968 -7.486 -9.653 591 HE21 GLN 89 HE21 GLN 89 4.242 -6.803 -11.742 592 HE22 GLN 89 HE22 GLN 89 3.424 -5.427 -12.396 593 H GLN 90 HN GLN 90 1.696 -8.030 -10.739 594 HA GLN 90 HA GLN 90 0.873 -10.671 -10.116 595 HB2 GLN 90 HB2 GLN 90 2.362 -9.579 -12.514 596 HB3 GLN 90 HB1 GLN 90 1.734 -11.218 -12.402 597 HG2 GLN 90 HG2 GLN 90 0.095 -10.140 -13.610 598 HG3 GLN 90 HG1 GLN 90 -0.538 -10.061 -11.968 599 HE21 GLN 90 HE21 GLN 90 -1.802 -8.285 -12.434 600 HE22 GLN 90 HE22 GLN 90 -1.135 -6.706 -12.664 601 H THR 91 HN THR 91 1.993 -12.131 -9.032 602 HA THR 91 HA THR 91 4.744 -11.859 -8.418 603 HB THR 91 HB THR 91 4.112 -14.493 -7.882 604 HG1 THR 91 HG1 THR 91 1.944 -14.362 -7.075 605 HG21 THR 91 HG21 THR 91 3.527 -12.083 -6.157 606 HG22 THR 91 HG22 THR 91 5.101 -12.858 -6.326 607 HG23 THR 91 HG23 THR 91 3.761 -13.737 -5.590 608 H GLY 92 HN GLY 92 2.942 -13.645 -10.816 609 HA2 GLY 92 HA2 GLY 92 4.777 -13.869 -12.769 610 HA3 GLY 92 HA1 GLY 92 5.210 -15.197 -11.696 611 H ASN 357 HT1 ASN 357 -18.976 -3.975 6.233 612 HA ASN 357 HA ASN 357 -17.847 -1.844 4.538 613 HB2 ASN 357 HB2 ASN 357 -20.050 -1.182 5.433 614 HB3 ASN 357 HB1 ASN 357 -19.514 -1.603 7.057 615 HD21 ASN 357 HD21 ASN 357 -19.547 0.351 8.022 616 HD22 ASN 357 HD22 ASN 357 -18.623 1.720 7.513 617 H ASN 358 HN ASN 358 -15.734 -2.086 4.862 618 HA ASN 358 HA ASN 358 -14.813 -2.430 7.647 619 HB2 ASN 358 HB2 ASN 358 -14.084 -4.308 6.351 620 HB3 ASN 358 HB1 ASN 358 -13.611 -3.284 5.001 621 HD21 ASN 358 HD21 ASN 358 -11.529 -4.010 4.898 622 HD22 ASN 358 HD22 ASN 358 -10.352 -3.674 6.122 623 H ARG 359 HN ARG 359 -13.873 -0.722 8.474 624 HA ARG 359 HA ARG 359 -12.790 1.315 6.663 625 HB2 ARG 359 HB2 ARG 359 -13.569 3.024 8.296 626 HB3 ARG 359 HB1 ARG 359 -14.871 2.148 7.507 627 HG2 ARG 359 HG2 ARG 359 -15.247 0.817 9.452 628 HG3 ARG 359 HG1 ARG 359 -13.806 1.466 10.234 629 HD2 ARG 359 HD2 ARG 359 -14.925 3.746 10.001 630 HD3 ARG 359 HD1 ARG 359 -16.398 2.849 9.642 631 HE ARG 359 HE ARG 359 -15.536 1.729 11.942 632 HH11 ARG 359 HH11 ARG 359 -16.564 5.592 12.561 633 HH12 ARG 359 HH12 ARG 359 -16.043 5.048 10.926 634 HH21 ARG 359 HH21 ARG 359 -16.156 2.384 14.042 635 HH22 ARG 359 HH22 ARG 359 -16.619 4.108 14.308 636 H ASP 360 HN ASP 360 -10.825 1.961 7.046 637 HA ASP 360 HA ASP 360 -9.626 1.380 9.659 638 HB2 ASP 360 HB2 ASP 360 -8.841 0.085 7.445 639 HB3 ASP 360 HB1 ASP 360 -7.847 1.528 7.285 640 HA PRO 361 HA PRO 361 -8.691 5.724 9.204 641 HB2 PRO 361 HB2 PRO 361 -8.151 6.200 11.806 642 HB3 PRO 361 HB1 PRO 361 -9.789 5.825 11.257 643 HG2 PRO 361 HG2 PRO 361 -7.990 4.194 12.873 644 HG3 PRO 361 HG1 PRO 361 -9.724 3.989 12.576 645 HD2 PRO 361 HD2 PRO 361 -7.465 2.656 11.276 646 HD3 PRO 361 HD1 PRO 361 -9.197 2.248 11.234 647 H ILE 362 HN ILE 362 -6.898 6.658 8.512 648 HA ILE 362 HA ILE 362 -4.308 5.709 9.527 649 HB ILE 362 HB ILE 362 -4.522 6.907 6.805 650 HG12 ILE 362 HG12 ILE 362 -6.346 5.180 6.979 651 HG13 ILE 362 HG11 ILE 362 -5.125 4.795 5.771 652 HG21 ILE 362 HG21 ILE 362 -2.674 5.341 6.358 653 HG22 ILE 362 HG22 ILE 362 -2.798 4.746 8.014 654 HG23 ILE 362 HG23 ILE 362 -2.330 6.420 7.711 655 HD11 ILE 362 HD11 ILE 362 -5.246 3.651 8.547 656 HD12 ILE 362 HD12 ILE 362 -4.099 3.221 7.274 657 HD13 ILE 362 HD13 ILE 362 -5.813 2.855 7.079 658 H VAL 363 HN VAL 363 -2.944 7.128 10.262 659 HA VAL 363 HA VAL 363 -3.520 9.998 9.902 660 HB VAL 363 HB VAL 363 -2.066 8.728 12.244 661 HG11 VAL 363 HG11 VAL 363 -3.296 11.460 12.189 662 HG12 VAL 363 HG12 VAL 363 -1.674 11.190 11.555 663 HG13 VAL 363 HG13 VAL 363 -2.031 10.824 13.243 664 HG21 VAL 363 HG21 VAL 363 -4.926 9.663 12.064 665 HG22 VAL 363 HG22 VAL 363 -4.106 9.174 13.547 666 HG23 VAL 363 HG23 VAL 363 -4.378 8.000 12.257 667 H ILE 364 HN ILE 364 -1.988 11.229 9.193 668 HA ILE 364 HA ILE 364 0.604 10.033 8.545 669 HB ILE 364 HB ILE 364 -1.254 11.019 6.766 670 HG12 ILE 364 HG12 ILE 364 0.578 10.914 5.117 671 HG13 ILE 364 HG11 ILE 364 1.748 10.858 6.431 672 HG21 ILE 364 HG21 ILE 364 -0.881 13.313 7.461 673 HG22 ILE 364 HG22 ILE 364 -0.293 13.063 5.821 674 HG23 ILE 364 HG23 ILE 364 0.848 13.141 7.160 675 HD11 ILE 364 HD11 ILE 364 1.488 8.672 6.659 676 HD12 ILE 364 HD12 ILE 364 0.555 8.708 5.163 677 HD13 ILE 364 HD13 ILE 364 -0.267 8.810 6.721 678 H SEP 365 HN SEP 365 2.433 11.204 9.017 679 HA SEP 365 HA SEP 365 1.954 13.535 10.734 680 HB2 SEP 365 HB1 SEP 365 3.799 12.856 11.932 681 HB3 SEP 365 HB2 SEP 365 4.657 12.317 10.490 682 H ASP 366 HN ASP 366 2.354 15.411 9.965 683 HA ASP 366 HA ASP 366 4.152 15.742 7.682 684 HB2 ASP 366 HB2 ASP 366 1.818 15.873 6.952 685 HB3 ASP 366 HB1 ASP 366 1.521 17.157 8.122 686 H SEP 367 HN SEP 367 5.480 17.419 7.688 687 HA SEP 367 HA SEP 367 6.702 18.548 9.724 688 HB2 SEP 367 HB1 SEP 367 7.521 20.127 8.223 689 HB3 SEP 367 HB2 SEP 367 5.951 20.364 7.464 690 HA PRO 368 HA PRO 368 4.169 21.095 12.335 691 HB2 PRO 368 HB2 PRO 368 6.458 22.999 12.171 692 HB3 PRO 368 HB1 PRO 368 5.652 22.333 13.595 693 HG2 PRO 368 HG2 PRO 368 8.041 21.445 12.843 694 HG3 PRO 368 HG1 PRO 368 6.816 20.353 13.520 695 HD2 PRO 368 HD2 PRO 368 7.731 20.658 10.715 696 HD3 PRO 368 HD1 PRO 368 7.136 19.217 11.564
Contact the webmaster for help, if required. Friday, June 28, 2024 2:42:46 PM GMT (wattos1)