NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
592185 | 2mq8 | 25018 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -5.563 -3.162 21.381 2 H2 MET 1 2H MET 1 -3.985 -3.550 21.838 3 H3 MET 1 3H MET 1 -4.917 -4.673 20.985 4 HA MET 1 HA MET 1 -4.961 -3.261 19.071 5 HB2 MET 1 2HB MET 1 -4.833 -1.083 20.208 6 HB3 MET 1 3HB MET 1 -3.203 -1.431 20.764 7 HG2 MET 1 2HG MET 1 -2.420 -1.417 18.408 8 HG3 MET 1 3HG MET 1 -4.055 -1.020 17.883 9 HE1 MET 1 3HE MET 1 -5.204 1.369 18.260 10 HE2 MET 1 1HE MET 1 -4.517 2.600 19.320 11 HE3 MET 1 2HE MET 1 -5.079 1.072 19.997 12 H LEU 2 H LEU 2 -3.791 -4.353 17.681 13 HA LEU 2 HA LEU 2 -1.012 -5.193 18.268 14 HB2 LEU 2 2HB LEU 2 -1.468 -7.029 16.569 15 HB3 LEU 2 3HB LEU 2 -2.361 -7.149 18.068 16 HG LEU 2 HG LEU 2 -4.369 -6.125 16.809 17 HD11 LEU 2 1HD1 LEU 2 -4.452 -6.413 14.379 18 HD12 LEU 2 2HD1 LEU 2 -2.742 -6.848 14.361 19 HD13 LEU 2 3HD1 LEU 2 -3.238 -5.229 14.853 20 HD21 LEU 2 3HD2 LEU 2 -4.300 -8.483 17.437 21 HD22 LEU 2 1HD2 LEU 2 -3.410 -8.876 15.964 22 HD23 LEU 2 2HD2 LEU 2 -5.070 -8.281 15.865 23 H THR 3 H THR 3 0.487 -5.097 16.447 24 HA THR 3 HA THR 3 -0.367 -3.333 14.230 25 HB THR 3 HB THR 3 2.533 -3.891 15.028 26 HG1 THR 3 HG1 THR 3 0.792 -2.517 16.452 27 HG21 THR 3 3HG2 THR 3 2.979 -1.871 13.711 28 HG22 THR 3 1HG2 THR 3 1.262 -1.705 13.351 29 HG23 THR 3 2HG2 THR 3 2.167 -3.084 12.718 30 H VAL 4 H VAL 4 -0.243 -4.105 12.188 31 HA VAL 4 HA VAL 4 1.017 -6.733 11.662 32 HB VAL 4 HB VAL 4 -1.447 -7.035 11.701 33 HG11 VAL 4 1HG1 VAL 4 -1.567 -4.985 9.477 34 HG12 VAL 4 2HG1 VAL 4 -2.177 -4.784 11.121 35 HG13 VAL 4 3HG1 VAL 4 -2.916 -5.973 10.047 36 HG21 VAL 4 3HG2 VAL 4 -0.316 -7.251 8.884 37 HG22 VAL 4 1HG2 VAL 4 -1.739 -8.107 9.490 38 HG23 VAL 4 2HG2 VAL 4 -0.144 -8.449 10.167 39 H GLU 5 H GLU 5 2.333 -6.726 9.927 40 HA GLU 5 HA GLU 5 2.372 -4.416 8.095 41 HB2 GLU 5 2HB GLU 5 4.611 -6.311 8.909 42 HB3 GLU 5 3HB GLU 5 4.744 -5.172 7.573 43 HG2 GLU 5 2HG GLU 5 4.279 -3.323 9.257 44 HG3 GLU 5 3HG GLU 5 4.450 -4.553 10.516 45 H VAL 6 H VAL 6 2.404 -4.763 5.970 46 HA VAL 6 HA VAL 6 2.445 -7.508 4.889 47 HB VAL 6 HB VAL 6 0.130 -6.633 4.764 48 HG11 VAL 6 1HG1 VAL 6 1.225 -4.325 3.131 49 HG12 VAL 6 2HG1 VAL 6 0.548 -4.223 4.757 50 HG13 VAL 6 3HG1 VAL 6 -0.483 -4.682 3.402 51 HG21 VAL 6 3HG2 VAL 6 0.889 -8.127 2.984 52 HG22 VAL 6 1HG2 VAL 6 1.454 -6.749 2.036 53 HG23 VAL 6 2HG2 VAL 6 -0.271 -6.956 2.352 54 H GLU 7 H GLU 7 4.198 -7.735 3.626 55 HA GLU 7 HA GLU 7 5.568 -5.402 2.473 56 HB2 GLU 7 2HB GLU 7 6.855 -6.949 3.969 57 HB3 GLU 7 3HB GLU 7 6.554 -8.264 2.834 58 HG2 GLU 7 2HG GLU 7 7.801 -7.103 1.089 59 HG3 GLU 7 3HG GLU 7 8.047 -5.709 2.147 60 H VAL 8 H VAL 8 4.711 -5.003 0.547 61 HA VAL 8 HA VAL 8 4.095 -7.147 -1.373 62 HB VAL 8 HB VAL 8 3.417 -4.160 -1.492 63 HG11 VAL 8 1HG1 VAL 8 1.868 -4.792 -3.309 64 HG12 VAL 8 2HG1 VAL 8 2.427 -6.464 -3.209 65 HG13 VAL 8 3HG1 VAL 8 3.539 -5.190 -3.716 66 HG21 VAL 8 3HG2 VAL 8 2.250 -5.242 0.389 67 HG22 VAL 8 1HG2 VAL 8 1.618 -6.483 -0.697 68 HG23 VAL 8 2HG2 VAL 8 1.110 -4.801 -0.885 69 H LYS 9 H LYS 9 5.917 -7.672 -2.522 70 HA LYS 9 HA LYS 9 7.881 -5.660 -3.303 71 HB2 LYS 9 2HB LYS 9 8.600 -7.921 -2.541 72 HB3 LYS 9 3HB LYS 9 7.764 -8.647 -3.911 73 HG2 LYS 9 2HG LYS 9 9.277 -7.528 -5.474 74 HG3 LYS 9 3HG LYS 9 10.080 -6.687 -4.144 75 HD2 LYS 9 2HD LYS 9 10.848 -8.881 -3.242 76 HD3 LYS 9 3HD LYS 9 10.049 -9.702 -4.585 77 HE2 LYS 9 2HE LYS 9 11.535 -8.563 -6.175 78 HE3 LYS 9 3HE LYS 9 12.327 -7.715 -4.844 79 HZ1 LYS 9 3HZ LYS 9 12.283 -10.668 -5.222 80 HZ2 LYS 9 1HZ LYS 9 13.065 -9.843 -3.968 81 HZ3 LYS 9 2HZ LYS 9 13.595 -9.658 -5.561 82 H ILE 10 H ILE 10 7.562 -4.485 -5.072 83 HA ILE 10 HA ILE 10 5.593 -5.314 -7.121 84 HB ILE 10 HB ILE 10 6.642 -2.507 -6.504 85 HG12 ILE 10 2HG1 ILE 10 3.984 -3.731 -5.640 86 HG13 ILE 10 3HG1 ILE 10 5.355 -3.446 -4.579 87 HG21 ILE 10 1HG2 ILE 10 4.291 -3.379 -8.223 88 HG22 ILE 10 2HG2 ILE 10 5.832 -2.753 -8.813 89 HG23 ILE 10 3HG2 ILE 10 4.756 -1.710 -7.882 90 HD11 ILE 10 3HD1 ILE 10 3.747 -1.322 -5.995 91 HD12 ILE 10 1HD1 ILE 10 5.140 -1.041 -4.942 92 HD13 ILE 10 2HD1 ILE 10 3.670 -1.758 -4.287 93 H THR 11 H THR 11 6.658 -6.183 -8.863 94 HA THR 11 HA THR 11 9.212 -5.064 -9.773 95 HB THR 11 HB THR 11 8.955 -7.512 -9.856 96 HG1 THR 11 HG1 THR 11 9.449 -7.696 -12.225 97 HG21 THR 11 3HG2 THR 11 6.787 -7.086 -11.940 98 HG22 THR 11 1HG2 THR 11 6.554 -7.741 -10.317 99 HG23 THR 11 2HG2 THR 11 7.507 -8.636 -11.501 100 H ALA 12 H ALA 12 9.292 -3.422 -11.177 101 HA ALA 12 HA ALA 12 7.102 -2.848 -13.053 102 HB1 ALA 12 3HB ALA 12 6.904 -0.507 -12.291 103 HB2 ALA 12 1HB ALA 12 8.059 -0.815 -10.989 104 HB3 ALA 12 2HB ALA 12 6.489 -1.619 -10.986 105 H ASP 13 H ASP 13 7.767 -1.494 -14.783 106 HA ASP 13 HA ASP 13 10.539 -1.780 -15.510 107 HB2 ASP 13 2HB ASP 13 8.741 -1.972 -17.196 108 HB3 ASP 13 3HB ASP 13 8.269 -0.305 -16.913 109 H ASP 14 H ASP 14 8.404 0.897 -14.582 110 HA ASP 14 HA ASP 14 10.775 2.637 -14.176 111 HB2 ASP 14 2HB ASP 14 8.926 3.395 -15.843 112 HB3 ASP 14 3HB ASP 14 7.915 3.655 -14.429 113 H GLU 15 H GLU 15 11.189 1.683 -12.173 114 HA GLU 15 HA GLU 15 9.385 1.402 -10.024 115 HB2 GLU 15 2HB GLU 15 11.279 0.967 -8.605 116 HB3 GLU 15 3HB GLU 15 11.620 0.248 -10.169 117 HG2 GLU 15 2HG GLU 15 12.750 2.865 -9.152 118 HG3 GLU 15 3HG GLU 15 13.594 1.321 -9.144 119 H ASN 16 H ASN 16 11.173 4.212 -11.138 120 HA ASN 16 HA ASN 16 11.208 5.795 -8.813 121 HB2 ASN 16 2HB ASN 16 12.566 6.291 -10.855 122 HB3 ASN 16 3HB ASN 16 11.097 6.752 -11.712 123 HD21 ASN 16 1HD2 ASN 16 10.028 8.715 -11.094 124 HD22 ASN 16 2HD2 ASN 16 10.852 9.936 -10.192 125 H LYS 17 H LYS 17 8.919 5.785 -11.545 126 HA LYS 17 HA LYS 17 7.013 7.532 -10.384 127 HB2 LYS 17 2HB LYS 17 6.845 5.522 -12.662 128 HB3 LYS 17 3HB LYS 17 5.430 6.432 -12.148 129 HG2 LYS 17 2HG LYS 17 8.015 7.623 -13.194 130 HG3 LYS 17 3HG LYS 17 6.523 7.438 -14.113 131 HD2 LYS 17 2HD LYS 17 6.912 9.205 -11.668 132 HD3 LYS 17 3HD LYS 17 6.793 9.746 -13.341 133 HE2 LYS 17 2HE LYS 17 4.470 8.799 -13.430 134 HE3 LYS 17 3HE LYS 17 4.605 8.418 -11.710 135 HZ1 LYS 17 3HZ LYS 17 4.761 11.139 -12.905 136 HZ2 LYS 17 1HZ LYS 17 4.934 10.782 -11.263 137 HZ3 LYS 17 2HZ LYS 17 3.456 10.509 -12.030 138 H ALA 18 H ALA 18 7.383 4.007 -10.465 139 HA ALA 18 HA ALA 18 4.948 3.138 -9.525 140 HB1 ALA 18 3HB ALA 18 6.723 1.626 -10.320 141 HB2 ALA 18 1HB ALA 18 6.095 1.103 -8.757 142 HB3 ALA 18 2HB ALA 18 7.653 1.931 -8.851 143 H GLU 19 H GLU 19 7.745 4.123 -7.580 144 HA GLU 19 HA GLU 19 6.721 3.606 -5.016 145 HB2 GLU 19 2HB GLU 19 9.121 4.014 -5.541 146 HB3 GLU 19 3HB GLU 19 8.760 5.703 -5.883 147 HG2 GLU 19 2HG GLU 19 7.984 5.953 -3.509 148 HG3 GLU 19 3HG GLU 19 8.513 4.301 -3.204 149 H GLU 20 H GLU 20 6.779 6.616 -6.916 150 HA GLU 20 HA GLU 20 5.689 8.311 -4.925 151 HB2 GLU 20 2HB GLU 20 5.866 8.675 -7.943 152 HB3 GLU 20 3HB GLU 20 5.455 9.957 -6.808 153 HG2 GLU 20 2HG GLU 20 8.089 8.460 -6.919 154 HG3 GLU 20 3HG GLU 20 7.799 10.091 -7.511 155 H ILE 21 H ILE 21 4.202 6.496 -7.557 156 HA ILE 21 HA ILE 21 1.580 7.598 -7.414 157 HB ILE 21 HB ILE 21 2.591 4.929 -8.504 158 HG12 ILE 21 2HG1 ILE 21 1.743 7.444 -10.020 159 HG13 ILE 21 3HG1 ILE 21 3.411 6.985 -9.698 160 HG21 ILE 21 1HG2 ILE 21 -0.173 6.136 -8.824 161 HG22 ILE 21 2HG2 ILE 21 0.233 4.666 -7.937 162 HG23 ILE 21 3HG2 ILE 21 0.424 4.720 -9.690 163 HD11 ILE 21 3HD1 ILE 21 1.445 5.430 -11.380 164 HD12 ILE 21 1HD1 ILE 21 3.112 4.958 -11.033 165 HD13 ILE 21 2HD1 ILE 21 2.785 6.422 -11.959 166 H VAL 22 H VAL 22 3.121 4.687 -6.019 167 HA VAL 22 HA VAL 22 0.890 3.679 -4.628 168 HB VAL 22 HB VAL 22 3.878 3.321 -4.127 169 HG11 VAL 22 1HG1 VAL 22 2.732 2.934 -1.993 170 HG12 VAL 22 2HG1 VAL 22 3.316 1.410 -2.657 171 HG13 VAL 22 3HG1 VAL 22 1.605 1.825 -2.774 172 HG21 VAL 22 3HG2 VAL 22 3.529 1.091 -5.132 173 HG22 VAL 22 1HG2 VAL 22 3.027 2.367 -6.243 174 HG23 VAL 22 2HG2 VAL 22 1.814 1.448 -5.352 175 H LYS 23 H LYS 23 3.431 5.990 -3.604 176 HA LYS 23 HA LYS 23 2.660 6.393 -0.921 177 HB2 LYS 23 2HB LYS 23 3.976 8.269 -2.923 178 HB3 LYS 23 3HB LYS 23 3.742 8.708 -1.233 179 HG2 LYS 23 2HG LYS 23 5.187 6.910 -0.503 180 HG3 LYS 23 3HG LYS 23 5.339 6.304 -2.159 181 HD2 LYS 23 2HD LYS 23 6.510 8.329 -2.849 182 HD3 LYS 23 3HD LYS 23 6.238 9.075 -1.271 183 HE2 LYS 23 2HE LYS 23 7.717 7.533 -0.197 184 HE3 LYS 23 3HE LYS 23 7.826 6.528 -1.646 185 HZ1 LYS 23 3HZ LYS 23 8.828 9.323 -1.428 186 HZ2 LYS 23 1HZ LYS 23 8.965 8.318 -2.784 187 HZ3 LYS 23 2HZ LYS 23 9.784 7.928 -1.365 188 H ARG 24 H ARG 24 1.646 8.060 -3.879 189 HA ARG 24 HA ARG 24 -0.069 10.004 -2.825 190 HB2 ARG 24 2HB ARG 24 0.726 9.931 -5.196 191 HB3 ARG 24 3HB ARG 24 -0.302 8.534 -5.485 192 HG2 ARG 24 2HG ARG 24 -2.303 9.959 -4.962 193 HG3 ARG 24 3HG ARG 24 -1.225 11.352 -4.821 194 HD2 ARG 24 2HD ARG 24 -2.209 11.366 -7.029 195 HD3 ARG 24 3HD ARG 24 -0.498 10.959 -7.188 196 HE ARG 24 HE ARG 24 -2.452 8.767 -7.090 197 HH11 ARG 24 1HH1 ARG 24 -0.227 10.693 -9.052 198 HH12 ARG 24 2HH1 ARG 24 -0.236 9.576 -10.383 199 HH21 ARG 24 1HH2 ARG 24 -2.525 7.354 -8.892 200 HH22 ARG 24 2HH2 ARG 24 -1.542 7.683 -10.284 201 H VAL 25 H VAL 25 -0.647 6.637 -3.735 202 HA VAL 25 HA VAL 25 -3.431 6.535 -3.258 203 HB VAL 25 HB VAL 25 -1.298 4.371 -3.345 204 HG11 VAL 25 1HG1 VAL 25 -4.280 3.997 -2.941 205 HG12 VAL 25 2HG1 VAL 25 -2.986 3.517 -1.840 206 HG13 VAL 25 3HG1 VAL 25 -3.168 2.705 -3.396 207 HG21 VAL 25 3HG2 VAL 25 -3.520 5.091 -5.297 208 HG22 VAL 25 1HG2 VAL 25 -2.360 3.773 -5.501 209 HG23 VAL 25 2HG2 VAL 25 -1.805 5.449 -5.500 210 H ILE 26 H ILE 26 -0.625 5.614 -1.240 211 HA ILE 26 HA ILE 26 -1.956 4.477 0.918 212 HB ILE 26 HB ILE 26 0.695 6.003 0.969 213 HG12 ILE 26 2HG1 ILE 26 0.305 2.981 0.849 214 HG13 ILE 26 3HG1 ILE 26 0.500 3.973 -0.588 215 HG21 ILE 26 1HG2 ILE 26 1.220 4.750 3.052 216 HG22 ILE 26 2HG2 ILE 26 -0.404 4.063 3.044 217 HG23 ILE 26 3HG2 ILE 26 -0.187 5.799 3.259 218 HD11 ILE 26 3HD1 ILE 26 2.698 4.688 0.187 219 HD12 ILE 26 1HD1 ILE 26 2.585 2.937 0.033 220 HD13 ILE 26 2HD1 ILE 26 2.517 3.682 1.628 221 H ASP 27 H ASP 27 -1.026 7.842 0.343 222 HA ASP 27 HA ASP 27 -1.829 8.815 2.916 223 HB2 ASP 27 2HB ASP 27 -0.021 9.856 1.536 224 HB3 ASP 27 3HB ASP 27 -1.231 10.395 0.372 225 H GLU 28 H GLU 28 -3.356 8.758 -0.304 226 HA GLU 28 HA GLU 28 -5.613 10.387 0.425 227 HB2 GLU 28 2HB GLU 28 -4.978 8.642 -1.958 228 HB3 GLU 28 3HB GLU 28 -6.580 9.343 -1.778 229 HG2 GLU 28 2HG GLU 28 -4.018 10.958 -1.857 230 HG3 GLU 28 3HG GLU 28 -5.031 10.635 -3.260 231 H VAL 29 H VAL 29 -4.921 6.951 0.563 232 HA VAL 29 HA VAL 29 -7.614 6.175 1.288 233 HB VAL 29 HB VAL 29 -4.972 4.628 1.453 234 HG11 VAL 29 1HG1 VAL 29 -6.327 2.587 1.775 235 HG12 VAL 29 2HG1 VAL 29 -7.787 3.575 1.869 236 HG13 VAL 29 3HG1 VAL 29 -6.540 3.728 3.107 237 HG21 VAL 29 3HG2 VAL 29 -5.634 5.105 -0.859 238 HG22 VAL 29 1HG2 VAL 29 -7.236 4.427 -0.564 239 HG23 VAL 29 2HG2 VAL 29 -5.814 3.381 -0.521 240 H GLU 30 H GLU 30 -4.597 7.045 2.880 241 HA GLU 30 HA GLU 30 -5.063 5.979 5.450 242 HB2 GLU 30 2HB GLU 30 -2.828 6.666 4.557 243 HB3 GLU 30 3HB GLU 30 -3.303 8.353 4.691 244 HG2 GLU 30 2HG GLU 30 -3.451 8.133 7.134 245 HG3 GLU 30 3HG GLU 30 -3.024 6.421 7.019 246 H ARG 31 H ARG 31 -5.485 9.264 4.202 247 HA ARG 31 HA ARG 31 -6.412 10.553 6.509 248 HB2 ARG 31 2HB ARG 31 -7.417 12.217 4.892 249 HB3 ARG 31 3HB ARG 31 -5.718 11.861 4.614 250 HG2 ARG 31 2HG ARG 31 -6.349 10.332 2.762 251 HG3 ARG 31 3HG ARG 31 -8.045 10.730 3.028 252 HD2 ARG 31 2HD ARG 31 -5.954 12.816 2.310 253 HD3 ARG 31 3HD ARG 31 -6.910 11.947 1.107 254 HE ARG 31 HE ARG 31 -8.332 13.398 3.210 255 HH11 ARG 31 1HH1 ARG 31 -7.322 13.372 -0.202 256 HH12 ARG 31 2HH1 ARG 31 -8.494 14.568 -0.668 257 HH21 ARG 31 1HH2 ARG 31 -9.920 14.879 2.536 258 HH22 ARG 31 2HH2 ARG 31 -9.963 15.415 0.890 259 H GLU 32 H GLU 32 -8.119 8.526 4.190 260 HA GLU 32 HA GLU 32 -10.772 9.076 5.189 261 HB2 GLU 32 2HB GLU 32 -9.800 6.846 3.360 262 HB3 GLU 32 3HB GLU 32 -11.477 7.315 3.611 263 HG2 GLU 32 2HG GLU 32 -9.304 8.938 2.274 264 HG3 GLU 32 3HG GLU 32 -10.701 8.195 1.502 265 H VAL 33 H VAL 33 -8.348 6.532 5.578 266 HA VAL 33 HA VAL 33 -9.923 4.704 7.086 267 HB VAL 33 HB VAL 33 -6.909 4.986 6.697 268 HG11 VAL 33 1HG1 VAL 33 -8.297 2.762 8.237 269 HG12 VAL 33 2HG1 VAL 33 -7.207 3.972 8.918 270 HG13 VAL 33 3HG1 VAL 33 -6.594 2.780 7.771 271 HG21 VAL 33 3HG2 VAL 33 -7.154 2.937 5.341 272 HG22 VAL 33 1HG2 VAL 33 -8.190 4.231 4.735 273 HG23 VAL 33 2HG2 VAL 33 -8.886 2.913 5.680 274 H GLN 34 H GLN 34 -7.997 7.520 7.999 275 HA GLN 34 HA GLN 34 -7.956 6.969 10.809 276 HB2 GLN 34 2HB GLN 34 -7.675 9.653 9.396 277 HB3 GLN 34 3HB GLN 34 -7.284 9.342 11.083 278 HG2 GLN 34 2HG GLN 34 -5.876 8.207 8.657 279 HG3 GLN 34 3HG GLN 34 -5.241 9.402 9.780 280 HE21 GLN 34 1HE2 GLN 34 -4.242 6.717 8.969 281 HE22 GLN 34 2HE2 GLN 34 -4.048 5.839 10.444 282 H LYS 35 H LYS 35 -10.429 8.093 8.707 283 HA LYS 35 HA LYS 35 -12.069 9.225 10.868 284 HB2 LYS 35 2HB LYS 35 -12.556 9.024 7.865 285 HB3 LYS 35 3HB LYS 35 -13.668 9.776 9.008 286 HG2 LYS 35 2HG LYS 35 -11.901 11.427 9.608 287 HG3 LYS 35 3HG LYS 35 -10.835 10.702 8.410 288 HD2 LYS 35 2HD LYS 35 -13.532 11.918 7.705 289 HD3 LYS 35 3HD LYS 35 -12.036 12.846 7.712 290 HE2 LYS 35 2HE LYS 35 -12.461 12.210 5.456 291 HE3 LYS 35 3HE LYS 35 -11.117 11.217 6.014 292 HZ1 LYS 35 3HZ LYS 35 -12.739 9.969 4.719 293 HZ2 LYS 35 1HZ LYS 35 -13.956 10.345 5.823 294 HZ3 LYS 35 2HZ LYS 35 -12.653 9.370 6.290 295 H GLN 36 H GLN 36 -12.028 6.454 8.623 296 HA GLN 36 HA GLN 36 -14.580 5.395 9.527 297 HB2 GLN 36 2HB GLN 36 -12.460 4.183 7.698 298 HB3 GLN 36 3HB GLN 36 -14.082 3.544 7.938 299 HG2 GLN 36 2HG GLN 36 -13.367 6.198 6.664 300 HG3 GLN 36 3HG GLN 36 -13.947 4.755 5.832 301 HE21 GLN 36 1HE2 GLN 36 -16.149 4.159 6.071 302 HE22 GLN 36 2HE2 GLN 36 -17.345 5.284 6.617 303 H TYR 37 H TYR 37 -11.168 4.638 9.912 304 HA TYR 37 HA TYR 37 -11.726 2.903 12.247 305 HB2 TYR 37 2HB TYR 37 -9.265 2.672 10.455 306 HB3 TYR 37 3HB TYR 37 -9.753 1.570 11.728 307 HD1 TYR 37 HD2 TYR 37 -10.523 2.697 8.261 308 HD2 TYR 37 HD1 TYR 37 -11.257 -0.284 11.237 309 HE1 TYR 37 HE2 TYR 37 -11.573 1.263 6.562 310 HE2 TYR 37 HE1 TYR 37 -12.290 -1.722 9.534 311 HH TYR 37 HH TYR 37 -13.439 -1.433 7.320 312 HA PRO 38 HA PRO 38 -9.332 6.822 13.436 313 HB2 PRO 38 2HB PRO 38 -10.960 6.599 15.941 314 HB3 PRO 38 3HB PRO 38 -10.727 7.996 14.869 315 HG2 PRO 38 2HG PRO 38 -13.060 6.717 14.891 316 HG3 PRO 38 3HG PRO 38 -12.370 7.300 13.357 317 HD2 PRO 38 2HD PRO 38 -12.322 4.497 14.491 318 HD3 PRO 38 3HD PRO 38 -12.724 5.042 12.842 319 H ASN 39 H ASN 39 -9.824 3.773 14.971 320 HA ASN 39 HA ASN 39 -7.745 3.919 16.932 321 HB2 ASN 39 2HB ASN 39 -9.672 2.340 17.080 322 HB3 ASN 39 3HB ASN 39 -9.087 1.491 15.654 323 HD21 ASN 39 1HD2 ASN 39 -8.586 2.056 19.060 324 HD22 ASN 39 2HD2 ASN 39 -7.435 0.789 19.306 325 H ALA 40 H ALA 40 -7.905 3.041 13.526 326 HA ALA 40 HA ALA 40 -5.406 1.553 13.547 327 HB1 ALA 40 3HB ALA 40 -7.291 0.749 12.203 328 HB2 ALA 40 1HB ALA 40 -5.886 1.099 11.195 329 HB3 ALA 40 2HB ALA 40 -7.248 2.223 11.236 330 H THR 41 H THR 41 -3.518 2.550 13.383 331 HA THR 41 HA THR 41 -3.188 5.097 11.938 332 HB THR 41 HB THR 41 -1.232 3.640 13.787 333 HG1 THR 41 HG1 THR 41 -3.458 4.964 14.398 334 HG21 THR 41 3HG2 THR 41 -0.071 5.817 13.928 335 HG22 THR 41 1HG2 THR 41 -1.223 6.521 12.790 336 HG23 THR 41 2HG2 THR 41 -0.115 5.253 12.256 337 H ILE 42 H ILE 42 -2.291 5.008 9.914 338 HA ILE 42 HA ILE 42 -0.975 2.535 9.001 339 HB ILE 42 HB ILE 42 -1.895 4.925 7.341 340 HG12 ILE 42 2HG1 ILE 42 -3.225 2.204 7.685 341 HG13 ILE 42 3HG1 ILE 42 -3.815 3.728 8.339 342 HG21 ILE 42 1HG2 ILE 42 -1.538 3.474 5.369 343 HG22 ILE 42 2HG2 ILE 42 -0.918 2.199 6.419 344 HG23 ILE 42 3HG2 ILE 42 -0.037 3.720 6.268 345 HD11 ILE 42 3HD1 ILE 42 -5.049 3.104 6.371 346 HD12 ILE 42 1HD1 ILE 42 -3.570 3.045 5.412 347 HD13 ILE 42 2HD1 ILE 42 -4.135 4.578 6.080 348 H THR 43 H THR 43 1.124 2.493 8.572 349 HA THR 43 HA THR 43 2.742 4.947 8.313 350 HB THR 43 HB THR 43 3.608 2.328 9.648 351 HG1 THR 43 HG1 THR 43 2.517 4.700 10.659 352 HG21 THR 43 3HG2 THR 43 5.499 3.558 8.589 353 HG22 THR 43 1HG2 THR 43 5.620 3.554 10.352 354 HG23 THR 43 2HG2 THR 43 5.056 4.997 9.510 355 H ARG 44 H ARG 44 4.394 4.727 6.703 356 HA ARG 44 HA ARG 44 4.164 2.386 4.904 357 HB2 ARG 44 2HB ARG 44 4.096 3.775 2.944 358 HB3 ARG 44 3HB ARG 44 2.811 4.301 4.015 359 HG2 ARG 44 2HG ARG 44 5.468 5.748 3.772 360 HG3 ARG 44 3HG ARG 44 4.058 6.130 2.789 361 HD2 ARG 44 2HD ARG 44 4.035 6.232 5.816 362 HD3 ARG 44 3HD ARG 44 4.433 7.618 4.810 363 HE ARG 44 HE ARG 44 1.795 6.433 5.221 364 HH11 ARG 44 1HH1 ARG 44 3.722 8.731 3.349 365 HH12 ARG 44 2HH1 ARG 44 2.345 9.624 2.798 366 HH21 ARG 44 1HH2 ARG 44 -0.003 7.665 4.513 367 HH22 ARG 44 2HH2 ARG 44 0.236 9.018 3.459 368 H THR 45 H THR 45 6.044 1.714 3.971 369 HA THR 45 HA THR 45 8.467 3.359 4.105 370 HB THR 45 HB THR 45 8.377 0.484 5.164 371 HG1 THR 45 HG1 THR 45 8.463 3.021 6.400 372 HG21 THR 45 3HG2 THR 45 10.728 2.415 4.977 373 HG22 THR 45 1HG2 THR 45 10.523 0.965 3.991 374 HG23 THR 45 2HG2 THR 45 10.772 0.823 5.734 375 H LEU 46 H LEU 46 8.842 3.525 1.972 376 HA LEU 46 HA LEU 46 8.763 1.116 0.250 377 HB2 LEU 46 2HB LEU 46 8.491 4.039 -0.577 378 HB3 LEU 46 3HB LEU 46 8.582 2.681 -1.680 379 HG LEU 46 HG LEU 46 6.407 1.828 -0.548 380 HD11 LEU 46 1HD1 LEU 46 4.941 3.487 0.440 381 HD12 LEU 46 2HD1 LEU 46 6.225 4.698 0.377 382 HD13 LEU 46 3HD1 LEU 46 6.398 3.274 1.407 383 HD21 LEU 46 3HD2 LEU 46 4.987 3.184 -2.016 384 HD22 LEU 46 1HD2 LEU 46 6.461 2.661 -2.829 385 HD23 LEU 46 2HD2 LEU 46 6.312 4.324 -2.256 386 H THR 47 H THR 47 10.618 0.593 -0.822 387 HA THR 47 HA THR 47 12.831 2.547 -0.990 388 HB THR 47 HB THR 47 13.241 -0.362 -0.120 389 HG1 THR 47 HG1 THR 47 12.444 0.739 1.648 390 HG21 THR 47 3HG2 THR 47 15.137 0.539 -1.422 391 HG22 THR 47 1HG2 THR 47 15.584 0.299 0.270 392 HG23 THR 47 2HG2 THR 47 15.235 1.921 -0.332 393 H ARG 48 H ARG 48 13.500 2.651 -3.046 394 HA ARG 48 HA ARG 48 12.464 0.779 -5.009 395 HB2 ARG 48 2HB ARG 48 14.094 3.319 -5.381 396 HB3 ARG 48 3HB ARG 48 13.428 2.344 -6.694 397 HG2 ARG 48 2HG ARG 48 11.139 2.748 -5.743 398 HG3 ARG 48 3HG ARG 48 11.875 3.856 -4.582 399 HD2 ARG 48 2HD ARG 48 11.940 4.141 -7.597 400 HD3 ARG 48 3HD ARG 48 10.906 5.048 -6.494 401 HE ARG 48 HE ARG 48 13.844 5.240 -6.314 402 HH11 ARG 48 1HH1 ARG 48 10.724 6.836 -6.780 403 HH12 ARG 48 2HH1 ARG 48 11.400 8.426 -6.735 404 HH21 ARG 48 1HH2 ARG 48 14.717 7.319 -6.344 405 HH22 ARG 48 2HH2 ARG 48 13.680 8.700 -6.487 406 H ASP 49 H ASP 49 13.843 0.092 -6.755 407 HA ASP 49 HA ASP 49 16.551 -0.753 -6.152 408 HB2 ASP 49 2HB ASP 49 15.109 -2.301 -4.770 409 HB3 ASP 49 3HB ASP 49 14.238 -2.761 -6.219 410 H ASP 50 H ASP 50 17.249 -2.336 -8.042 411 HA ASP 50 HA ASP 50 16.825 -1.150 -10.542 412 HB2 ASP 50 2HB ASP 50 18.848 -2.462 -9.884 413 HB3 ASP 50 3HB ASP 50 17.898 -3.944 -9.926 414 H GLY 51 H GLY 51 14.589 -1.016 -10.912 415 HA2 GLY 51 2HA GLY 51 12.700 -1.641 -12.089 416 HA3 GLY 51 3HA GLY 51 13.392 -3.238 -12.321 417 H THR 52 H THR 52 13.168 -2.045 -9.075 418 HA THR 52 HA THR 52 10.596 -3.386 -8.541 419 HB THR 52 HB THR 52 13.199 -4.089 -7.103 420 HG1 THR 52 HG1 THR 52 12.252 -5.102 -9.261 421 HG21 THR 52 3HG2 THR 52 11.889 -5.693 -5.751 422 HG22 THR 52 1HG2 THR 52 10.398 -5.100 -6.485 423 HG23 THR 52 2HG2 THR 52 11.352 -4.038 -5.446 424 H VAL 53 H VAL 53 9.478 -2.586 -6.748 425 HA VAL 53 HA VAL 53 10.809 -0.672 -4.916 426 HB VAL 53 HB VAL 53 7.840 -0.580 -5.708 427 HG11 VAL 53 1HG1 VAL 53 9.443 1.327 -3.959 428 HG12 VAL 53 2HG1 VAL 53 8.234 0.171 -3.396 429 HG13 VAL 53 3HG1 VAL 53 7.749 1.525 -4.418 430 HG21 VAL 53 3HG2 VAL 53 10.062 1.319 -6.530 431 HG22 VAL 53 1HG2 VAL 53 8.340 1.549 -6.858 432 HG23 VAL 53 2HG2 VAL 53 9.204 0.192 -7.583 433 H GLU 54 H GLU 54 10.902 -1.571 -2.911 434 HA GLU 54 HA GLU 54 9.140 -3.776 -2.146 435 HB2 GLU 54 2HB GLU 54 11.563 -3.928 -1.597 436 HB3 GLU 54 3HB GLU 54 11.445 -2.452 -0.644 437 HG2 GLU 54 2HG GLU 54 9.789 -3.640 0.865 438 HG3 GLU 54 3HG GLU 54 10.110 -5.121 -0.034 439 H LEU 55 H LEU 55 7.173 -3.036 -1.603 440 HA LEU 55 HA LEU 55 6.797 -0.608 0.001 441 HB2 LEU 55 2HB LEU 55 5.305 -0.822 -1.885 442 HB3 LEU 55 3HB LEU 55 4.898 -2.477 -1.467 443 HG LEU 55 HG LEU 55 3.720 -1.607 0.590 444 HD11 LEU 55 1HD1 LEU 55 4.889 0.486 0.897 445 HD12 LEU 55 2HD1 LEU 55 3.160 0.774 0.728 446 HD13 LEU 55 3HD1 LEU 55 4.242 1.109 -0.624 447 HD21 LEU 55 3HD2 LEU 55 2.448 -2.167 -1.422 448 HD22 LEU 55 1HD2 LEU 55 2.687 -0.535 -2.052 449 HD23 LEU 55 2HD2 LEU 55 1.727 -0.790 -0.591 450 H ARG 56 H ARG 56 6.530 -0.748 2.152 451 HA ARG 56 HA ARG 56 5.455 -3.207 3.393 452 HB2 ARG 56 2HB ARG 56 7.687 -1.435 4.483 453 HB3 ARG 56 3HB ARG 56 6.877 -2.695 5.409 454 HG2 ARG 56 2HG ARG 56 7.691 -4.395 3.788 455 HG3 ARG 56 3HG ARG 56 8.555 -3.128 2.912 456 HD2 ARG 56 2HD ARG 56 10.054 -4.385 4.399 457 HD3 ARG 56 3HD ARG 56 9.938 -2.694 4.894 458 HE ARG 56 HE ARG 56 8.042 -3.952 6.416 459 HH11 ARG 56 1HH1 ARG 56 11.515 -4.467 5.973 460 HH12 ARG 56 2HH1 ARG 56 11.740 -5.102 7.576 461 HH21 ARG 56 1HH2 ARG 56 8.371 -4.787 8.518 462 HH22 ARG 56 2HH2 ARG 56 9.954 -5.281 9.014 463 H ILE 57 H ILE 57 3.430 -2.612 3.866 464 HA ILE 57 HA ILE 57 2.849 0.022 5.035 465 HB ILE 57 HB ILE 57 0.984 -2.193 4.060 466 HG12 ILE 57 2HG1 ILE 57 2.115 -0.909 2.244 467 HG13 ILE 57 3HG1 ILE 57 0.375 -0.644 2.248 468 HG21 ILE 57 1HG2 ILE 57 -0.893 -0.628 4.460 469 HG22 ILE 57 2HG2 ILE 57 0.224 0.514 5.211 470 HG23 ILE 57 3HG2 ILE 57 -0.064 -1.058 5.959 471 HD11 ILE 57 3HD1 ILE 57 1.584 1.399 1.826 472 HD12 ILE 57 1HD1 ILE 57 2.459 1.238 3.345 473 HD13 ILE 57 2HD1 ILE 57 0.713 1.517 3.353 474 H LYS 58 H LYS 58 2.767 0.190 7.150 475 HA LYS 58 HA LYS 58 2.381 -2.163 8.887 476 HB2 LYS 58 2HB LYS 58 4.542 -1.034 9.194 477 HB3 LYS 58 3HB LYS 58 3.744 0.531 9.366 478 HG2 LYS 58 2HG LYS 58 2.642 -0.310 11.441 479 HG3 LYS 58 3HG LYS 58 3.555 -1.809 11.289 480 HD2 LYS 58 2HD LYS 58 4.792 0.949 11.610 481 HD3 LYS 58 3HD LYS 58 4.531 -0.192 12.930 482 HE2 LYS 58 2HE LYS 58 6.282 -0.715 10.514 483 HE3 LYS 58 3HE LYS 58 6.855 -0.207 12.099 484 HZ1 LYS 58 3HZ LYS 58 6.031 -2.235 13.048 485 HZ2 LYS 58 1HZ LYS 58 7.071 -2.591 11.767 486 HZ3 LYS 58 2HZ LYS 58 5.401 -2.732 11.562 487 H VAL 59 H VAL 59 0.186 -2.240 9.218 488 HA VAL 59 HA VAL 59 -1.280 0.215 9.981 489 HB VAL 59 HB VAL 59 -2.461 -2.531 9.314 490 HG11 VAL 59 1HG1 VAL 59 -3.810 0.173 9.647 491 HG12 VAL 59 2HG1 VAL 59 -3.897 -1.177 10.779 492 HG13 VAL 59 3HG1 VAL 59 -4.615 -1.328 9.173 493 HG21 VAL 59 3HG2 VAL 59 -3.134 -1.581 7.141 494 HG22 VAL 59 1HG2 VAL 59 -1.376 -1.586 7.323 495 HG23 VAL 59 2HG2 VAL 59 -2.279 -0.083 7.525 496 H LYS 60 H LYS 60 -1.100 0.534 12.140 497 HA LYS 60 HA LYS 60 -1.223 -1.669 14.067 498 HB2 LYS 60 2HB LYS 60 0.374 0.240 14.391 499 HB3 LYS 60 3HB LYS 60 -0.992 1.347 14.504 500 HG2 LYS 60 2HG LYS 60 -1.785 0.183 16.521 501 HG3 LYS 60 3HG LYS 60 -0.437 -0.952 16.401 502 HD2 LYS 60 2HD LYS 60 0.086 0.737 18.081 503 HD3 LYS 60 3HD LYS 60 1.154 0.963 16.693 504 HE2 LYS 60 2HE LYS 60 -0.320 2.803 15.890 505 HE3 LYS 60 3HE LYS 60 -1.348 2.574 17.309 506 HZ1 LYS 60 3HZ LYS 60 1.520 3.360 17.374 507 HZ2 LYS 60 1HZ LYS 60 0.528 3.138 18.722 508 HZ3 LYS 60 2HZ LYS 60 0.211 4.394 17.641 509 H ALA 61 H ALA 61 -3.238 -2.395 14.533 510 HA ALA 61 HA ALA 61 -5.511 -0.523 14.793 511 HB1 ALA 61 3HB ALA 61 -5.576 -3.024 13.057 512 HB2 ALA 61 1HB ALA 61 -5.571 -1.359 12.466 513 HB3 ALA 61 2HB ALA 61 -6.946 -1.962 13.395 514 H ASP 62 H ASP 62 -7.438 -1.643 15.712 515 HA ASP 62 HA ASP 62 -7.006 -2.983 18.121 516 HB2 ASP 62 2HB ASP 62 -9.071 -1.758 17.683 517 HB3 ASP 62 3HB ASP 62 -9.481 -2.821 16.342 518 H THR 63 H THR 63 -7.992 -4.245 14.979 519 HA THR 63 HA THR 63 -7.125 -6.966 15.694 520 HB THR 63 HB THR 63 -9.224 -7.701 14.236 521 HG1 THR 63 HG1 THR 63 -10.459 -5.450 15.377 522 HG21 THR 63 3HG2 THR 63 -8.964 -8.317 16.613 523 HG22 THR 63 1HG2 THR 63 -10.638 -7.883 16.252 524 HG23 THR 63 2HG2 THR 63 -9.593 -6.741 17.098 525 H GLU 64 H GLU 64 -6.215 -8.122 14.039 526 HA GLU 64 HA GLU 64 -5.104 -6.623 11.880 527 HB2 GLU 64 2HB GLU 64 -4.032 -8.816 11.202 528 HB3 GLU 64 3HB GLU 64 -3.682 -8.257 12.828 529 HG2 GLU 64 2HG GLU 64 -3.972 -10.576 13.027 530 HG3 GLU 64 3HG GLU 64 -5.453 -9.869 13.656 531 H GLU 65 H GLU 65 -7.927 -8.628 12.176 532 HA GLU 65 HA GLU 65 -8.433 -9.184 9.465 533 HB2 GLU 65 2HB GLU 65 -9.657 -10.290 11.286 534 HB3 GLU 65 3HB GLU 65 -10.378 -8.758 11.781 535 HG2 GLU 65 2HG GLU 65 -11.588 -8.621 9.637 536 HG3 GLU 65 3HG GLU 65 -10.845 -10.127 9.105 537 H LYS 66 H LYS 66 -9.664 -6.490 11.505 538 HA LYS 66 HA LYS 66 -10.873 -5.020 9.387 539 HB2 LYS 66 2HB LYS 66 -9.855 -4.037 12.082 540 HB3 LYS 66 3HB LYS 66 -10.871 -3.100 10.989 541 HG2 LYS 66 2HG LYS 66 -12.662 -4.827 11.217 542 HG3 LYS 66 3HG LYS 66 -11.639 -5.692 12.369 543 HD2 LYS 66 2HD LYS 66 -13.263 -4.360 13.606 544 HD3 LYS 66 3HD LYS 66 -11.656 -3.675 13.854 545 HE2 LYS 66 2HE LYS 66 -12.155 -1.944 12.139 546 HE3 LYS 66 3HE LYS 66 -13.771 -2.631 11.947 547 HZ1 LYS 66 3HZ LYS 66 -14.224 -2.116 14.272 548 HZ2 LYS 66 1HZ LYS 66 -13.817 -0.720 13.415 549 HZ3 LYS 66 2HZ LYS 66 -12.690 -1.436 14.449 550 H ALA 67 H ALA 67 -7.601 -5.156 10.638 551 HA ALA 67 HA ALA 67 -6.533 -2.958 9.167 552 HB1 ALA 67 3HB ALA 67 -5.419 -3.899 11.130 553 HB2 ALA 67 1HB ALA 67 -4.350 -3.921 9.728 554 HB3 ALA 67 2HB ALA 67 -5.133 -5.410 10.265 555 H LYS 68 H LYS 68 -7.050 -6.405 8.377 556 HA LYS 68 HA LYS 68 -5.637 -6.518 5.922 557 HB2 LYS 68 2HB LYS 68 -8.099 -8.082 6.825 558 HB3 LYS 68 3HB LYS 68 -7.277 -8.398 5.308 559 HG2 LYS 68 2HG LYS 68 -6.188 -8.821 8.101 560 HG3 LYS 68 3HG LYS 68 -6.612 -10.049 6.911 561 HD2 LYS 68 2HD LYS 68 -4.778 -8.952 5.426 562 HD3 LYS 68 3HD LYS 68 -4.248 -8.160 6.911 563 HE2 LYS 68 2HE LYS 68 -4.426 -11.159 6.448 564 HE3 LYS 68 3HE LYS 68 -2.949 -10.200 6.503 565 HZ1 LYS 68 3HZ LYS 68 -3.358 -11.380 8.574 566 HZ2 LYS 68 1HZ LYS 68 -4.829 -10.572 8.776 567 HZ3 LYS 68 2HZ LYS 68 -3.376 -9.711 8.815 568 H SER 69 H SER 69 -8.924 -5.494 6.721 569 HA SER 69 HA SER 69 -9.988 -5.026 4.187 570 HB2 SER 69 2HB SER 69 -11.357 -4.877 6.224 571 HB3 SER 69 3HB SER 69 -10.429 -3.489 6.786 572 HG SER 69 HG SER 69 -11.609 -2.242 5.577 573 H ILE 70 H ILE 70 -8.128 -2.857 6.281 574 HA ILE 70 HA ILE 70 -8.030 -0.551 4.673 575 HB ILE 70 HB ILE 70 -6.087 -1.578 6.794 576 HG12 ILE 70 2HG1 ILE 70 -8.352 0.448 7.115 577 HG13 ILE 70 3HG1 ILE 70 -8.522 -1.264 7.479 578 HG21 ILE 70 1HG2 ILE 70 -6.349 1.240 5.703 579 HG22 ILE 70 2HG2 ILE 70 -4.991 0.144 5.443 580 HG23 ILE 70 3HG2 ILE 70 -5.333 0.753 7.063 581 HD11 ILE 70 3HD1 ILE 70 -8.156 0.009 9.484 582 HD12 ILE 70 1HD1 ILE 70 -6.642 0.650 8.844 583 HD13 ILE 70 2HD1 ILE 70 -6.796 -1.075 9.191 584 H ILE 71 H ILE 71 -5.771 -3.270 5.009 585 HA ILE 71 HA ILE 71 -3.761 -2.509 3.222 586 HB ILE 71 HB ILE 71 -4.722 -5.284 4.058 587 HG12 ILE 71 2HG1 ILE 71 -2.277 -3.700 4.986 588 HG13 ILE 71 3HG1 ILE 71 -3.795 -3.791 5.866 589 HG21 ILE 71 1HG2 ILE 71 -2.179 -4.614 2.541 590 HG22 ILE 71 2HG2 ILE 71 -3.558 -5.520 1.916 591 HG23 ILE 71 3HG2 ILE 71 -2.578 -6.194 3.219 592 HD11 ILE 71 3HD1 ILE 71 -3.488 -6.199 6.150 593 HD12 ILE 71 1HD1 ILE 71 -2.153 -5.269 6.826 594 HD13 ILE 71 2HD1 ILE 71 -1.949 -6.104 5.285 595 H LYS 72 H LYS 72 -6.855 -4.190 2.674 596 HA LYS 72 HA LYS 72 -6.393 -4.860 -0.061 597 HB2 LYS 72 2HB LYS 72 -8.019 -6.103 1.317 598 HB3 LYS 72 3HB LYS 72 -8.993 -4.654 1.523 599 HG2 LYS 72 2HG LYS 72 -9.988 -6.205 -0.118 600 HG3 LYS 72 3HG LYS 72 -9.576 -4.652 -0.847 601 HD2 LYS 72 2HD LYS 72 -9.010 -6.497 -2.349 602 HD3 LYS 72 3HD LYS 72 -7.549 -5.648 -1.841 603 HE2 LYS 72 2HE LYS 72 -7.215 -8.082 -1.850 604 HE3 LYS 72 3HE LYS 72 -7.077 -7.441 -0.211 605 HZ1 LYS 72 3HZ LYS 72 -9.314 -8.194 0.241 606 HZ2 LYS 72 1HZ LYS 72 -8.373 -9.485 -0.304 607 HZ3 LYS 72 2HZ LYS 72 -9.488 -8.754 -1.340 608 H LEU 73 H LEU 73 -7.932 -2.074 1.555 609 HA LEU 73 HA LEU 73 -8.917 -0.712 -0.712 610 HB2 LEU 73 2HB LEU 73 -8.095 0.120 2.058 611 HB3 LEU 73 3HB LEU 73 -8.270 1.392 0.868 612 HG LEU 73 HG LEU 73 -10.637 0.825 0.544 613 HD11 LEU 73 1HD1 LEU 73 -10.593 -1.582 0.921 614 HD12 LEU 73 2HD1 LEU 73 -11.814 -0.798 1.921 615 HD13 LEU 73 3HD1 LEU 73 -10.289 -1.319 2.641 616 HD21 LEU 73 3HD2 LEU 73 -11.478 1.537 2.744 617 HD22 LEU 73 1HD2 LEU 73 -10.054 2.456 2.261 618 HD23 LEU 73 2HD2 LEU 73 -9.908 1.174 3.467 619 H ILE 74 H ILE 74 -5.739 -0.659 0.856 620 HA ILE 74 HA ILE 74 -4.464 1.172 -0.893 621 HB ILE 74 HB ILE 74 -3.259 -1.004 0.887 622 HG12 ILE 74 2HG1 ILE 74 -3.648 1.989 1.395 623 HG13 ILE 74 3HG1 ILE 74 -4.614 0.705 2.103 624 HG21 ILE 74 1HG2 ILE 74 -1.630 -0.349 -0.838 625 HG22 ILE 74 2HG2 ILE 74 -1.125 0.228 0.751 626 HG23 ILE 74 3HG2 ILE 74 -1.839 1.351 -0.409 627 HD11 ILE 74 3HD1 ILE 74 -2.643 -0.111 3.299 628 HD12 ILE 74 1HD1 ILE 74 -3.030 1.563 3.694 629 HD13 ILE 74 2HD1 ILE 74 -1.686 1.204 2.610 630 H GLU 75 H GLU 75 -4.686 -2.403 -0.916 631 HA GLU 75 HA GLU 75 -2.902 -3.014 -2.981 632 HB2 GLU 75 2HB GLU 75 -5.430 -4.430 -2.067 633 HB3 GLU 75 3HB GLU 75 -4.392 -5.102 -3.322 634 HG2 GLU 75 2HG GLU 75 -2.531 -5.251 -1.739 635 HG3 GLU 75 3HG GLU 75 -3.521 -4.506 -0.481 636 H GLU 76 H GLU 76 -6.395 -2.383 -3.187 637 HA GLU 76 HA GLU 76 -6.670 -2.934 -5.945 638 HB2 GLU 76 2HB GLU 76 -8.430 -1.228 -4.135 639 HB3 GLU 76 3HB GLU 76 -8.892 -1.812 -5.729 640 HG2 GLU 76 2HG GLU 76 -8.366 -3.472 -3.257 641 HG3 GLU 76 3HG GLU 76 -9.917 -3.204 -4.047 642 H ARG 77 H ARG 77 -6.150 0.076 -4.157 643 HA ARG 77 HA ARG 77 -6.488 1.790 -6.431 644 HB2 ARG 77 2HB ARG 77 -5.452 2.290 -3.624 645 HB3 ARG 77 3HB ARG 77 -5.642 3.569 -4.811 646 HG2 ARG 77 2HG ARG 77 -7.957 1.831 -3.925 647 HG3 ARG 77 3HG ARG 77 -7.480 3.286 -3.054 648 HD2 ARG 77 2HD ARG 77 -9.328 3.778 -4.550 649 HD3 ARG 77 3HD ARG 77 -7.880 4.633 -5.080 650 HE ARG 77 HE ARG 77 -8.624 2.081 -6.353 651 HH11 ARG 77 1HH1 ARG 77 -8.239 5.567 -6.645 652 HH12 ARG 77 2HH1 ARG 77 -8.357 5.565 -8.372 653 HH21 ARG 77 1HH2 ARG 77 -8.793 2.098 -8.648 654 HH22 ARG 77 2HH2 ARG 77 -8.669 3.603 -9.507 655 H ILE 78 H ILE 78 -3.588 0.544 -4.645 656 HA ILE 78 HA ILE 78 -1.674 2.037 -6.117 657 HB ILE 78 HB ILE 78 0.092 0.483 -5.355 658 HG12 ILE 78 2HG1 ILE 78 -2.127 -1.237 -4.157 659 HG13 ILE 78 3HG1 ILE 78 -1.127 -1.669 -5.535 660 HG21 ILE 78 1HG2 ILE 78 -1.822 1.152 -3.106 661 HG22 ILE 78 2HG2 ILE 78 -0.636 2.244 -3.823 662 HG23 ILE 78 3HG2 ILE 78 -0.096 0.817 -2.938 663 HD11 ILE 78 3HD1 ILE 78 -0.369 -2.829 -3.565 664 HD12 ILE 78 1HD1 ILE 78 -0.168 -1.310 -2.690 665 HD13 ILE 78 2HD1 ILE 78 0.859 -1.676 -4.078 666 H GLU 79 H GLU 79 -3.052 -1.201 -6.613 667 HA GLU 79 HA GLU 79 -1.439 -1.950 -8.803 668 HB2 GLU 79 2HB GLU 79 -2.684 -3.656 -7.595 669 HB3 GLU 79 3HB GLU 79 -4.223 -2.900 -8.001 670 HG2 GLU 79 2HG GLU 79 -3.881 -3.419 -10.369 671 HG3 GLU 79 3HG GLU 79 -2.296 -4.093 -10.018 672 H GLU 80 H GLU 80 -4.628 -0.372 -8.647 673 HA GLU 80 HA GLU 80 -5.114 -0.261 -11.426 674 HB2 GLU 80 2HB GLU 80 -6.256 1.141 -9.021 675 HB3 GLU 80 3HB GLU 80 -6.620 1.810 -10.604 676 HG2 GLU 80 2HG GLU 80 -7.214 -1.030 -9.730 677 HG3 GLU 80 3HG GLU 80 -8.382 0.287 -9.800 678 H GLU 81 H GLU 81 -3.926 2.295 -9.227 679 HA GLU 81 HA GLU 81 -3.717 4.306 -11.192 680 HB2 GLU 81 2HB GLU 81 -2.471 4.034 -8.432 681 HB3 GLU 81 3HB GLU 81 -2.382 5.505 -9.389 682 HG2 GLU 81 2HG GLU 81 -4.967 4.219 -8.473 683 HG3 GLU 81 3HG GLU 81 -4.146 5.521 -7.620 684 H LEU 82 H LEU 82 -1.374 1.941 -9.978 685 HA LEU 82 HA LEU 82 0.949 3.209 -11.037 686 HB2 LEU 82 2HB LEU 82 0.594 1.233 -9.215 687 HB3 LEU 82 3HB LEU 82 0.987 0.239 -10.600 688 HG LEU 82 HG LEU 82 2.733 2.400 -9.365 689 HD11 LEU 82 1HD1 LEU 82 4.224 0.573 -8.728 690 HD12 LEU 82 2HD1 LEU 82 3.094 -0.605 -9.398 691 HD13 LEU 82 3HD1 LEU 82 2.626 0.382 -8.012 692 HD21 LEU 82 3HD2 LEU 82 4.505 1.667 -10.938 693 HD22 LEU 82 1HD2 LEU 82 3.134 2.417 -11.750 694 HD23 LEU 82 2HD2 LEU 82 3.324 0.666 -11.779 695 H ARG 83 H ARG 83 -1.087 0.482 -12.164 696 HA ARG 83 HA ARG 83 0.364 -0.097 -14.530 697 HB2 ARG 83 2HB ARG 83 -2.556 -0.619 -13.893 698 HB3 ARG 83 3HB ARG 83 -1.723 -1.275 -15.303 699 HG2 ARG 83 2HG ARG 83 -0.131 -2.445 -13.762 700 HG3 ARG 83 3HG ARG 83 -1.084 -1.856 -12.395 701 HD2 ARG 83 2HD ARG 83 -3.087 -3.041 -13.423 702 HD3 ARG 83 3HD ARG 83 -1.965 -3.788 -14.567 703 HE ARG 83 HE ARG 83 -1.988 -4.187 -11.651 704 HH11 ARG 83 1HH1 ARG 83 -0.951 -5.324 -14.805 705 HH12 ARG 83 2HH1 ARG 83 -0.379 -6.839 -14.187 706 HH21 ARG 83 1HH2 ARG 83 -1.322 -6.201 -10.881 707 HH22 ARG 83 2HH2 ARG 83 -0.594 -7.332 -11.970 708 H LYS 84 H LYS 84 -1.894 2.431 -13.838 709 HA LYS 84 HA LYS 84 -2.695 3.075 -16.509 710 HB2 LYS 84 2HB LYS 84 -2.715 4.663 -13.917 711 HB3 LYS 84 3HB LYS 84 -3.404 5.269 -15.423 712 HG2 LYS 84 2HG LYS 84 -5.074 3.527 -15.466 713 HG3 LYS 84 3HG LYS 84 -4.284 2.657 -14.150 714 HD2 LYS 84 2HD LYS 84 -6.265 3.781 -13.291 715 HD3 LYS 84 3HD LYS 84 -4.827 4.535 -12.607 716 HE2 LYS 84 2HE LYS 84 -5.037 6.370 -14.265 717 HE3 LYS 84 3HE LYS 84 -6.503 5.610 -14.891 718 HZ1 LYS 84 3HZ LYS 84 -6.973 7.403 -13.302 719 HZ2 LYS 84 1HZ LYS 84 -6.159 6.549 -12.090 720 HZ3 LYS 84 2HZ LYS 84 -7.566 5.913 -12.769 721 H ARG 85 H ARG 85 0.178 3.744 -14.661 722 HA ARG 85 HA ARG 85 1.216 5.548 -16.777 723 HB2 ARG 85 2HB ARG 85 1.495 6.488 -14.562 724 HB3 ARG 85 3HB ARG 85 2.136 4.978 -13.927 725 HG2 ARG 85 2HG ARG 85 3.910 6.654 -14.183 726 HG3 ARG 85 3HG ARG 85 4.199 5.277 -15.244 727 HD2 ARG 85 2HD ARG 85 3.161 6.663 -17.131 728 HD3 ARG 85 3HD ARG 85 3.188 8.041 -16.029 729 HE ARG 85 HE ARG 85 5.490 8.156 -16.220 730 HH11 ARG 85 1HH1 ARG 85 4.348 5.295 -17.958 731 HH12 ARG 85 2HH1 ARG 85 5.860 5.037 -18.762 732 HH21 ARG 85 1HH2 ARG 85 7.449 7.791 -17.296 733 HH22 ARG 85 2HH2 ARG 85 7.612 6.458 -18.384 734 H ASP 86 H ASP 86 1.688 2.392 -15.225 735 HA ASP 86 HA ASP 86 3.672 1.604 -17.233 736 HB2 ASP 86 2HB ASP 86 5.052 2.553 -15.414 737 HB3 ASP 86 3HB ASP 86 4.276 1.489 -14.243 738 HA PRO 87 HA PRO 87 0.679 -1.805 -16.510 739 HB2 PRO 87 2HB PRO 87 1.654 -2.761 -19.164 740 HB3 PRO 87 3HB PRO 87 0.009 -2.323 -18.662 741 HG2 PRO 87 2HG PRO 87 1.390 -0.763 -20.345 742 HG3 PRO 87 3HG PRO 87 0.311 -0.059 -19.116 743 HD2 PRO 87 2HD PRO 87 3.316 -0.367 -19.029 744 HD3 PRO 87 3HD PRO 87 2.314 1.050 -18.623 745 H ASN 88 H ASN 88 4.087 -1.862 -16.820 746 HA ASN 88 HA ASN 88 4.525 -4.712 -16.713 747 HB2 ASN 88 2HB ASN 88 6.425 -2.407 -16.081 748 HB3 ASN 88 3HB ASN 88 6.898 -4.094 -16.244 749 HD21 ASN 88 1HD2 ASN 88 5.849 -1.238 -17.944 750 HD22 ASN 88 2HD2 ASN 88 6.268 -1.786 -19.526 751 H ALA 89 H ALA 89 3.665 -2.336 -14.432 752 HA ALA 89 HA ALA 89 4.793 -3.264 -12.051 753 HB1 ALA 89 3HB ALA 89 3.061 -1.936 -10.935 754 HB2 ALA 89 1HB ALA 89 2.167 -1.806 -12.455 755 HB3 ALA 89 2HB ALA 89 3.756 -1.058 -12.298 756 H THR 90 H THR 90 4.647 -5.476 -11.743 757 HA THR 90 HA THR 90 1.990 -6.636 -11.145 758 HB THR 90 HB THR 90 4.670 -8.069 -11.493 759 HG1 THR 90 HG1 THR 90 4.039 -8.501 -13.530 760 HG21 THR 90 3HG2 THR 90 3.318 -10.143 -11.544 761 HG22 THR 90 1HG2 THR 90 1.849 -9.210 -11.267 762 HG23 THR 90 2HG2 THR 90 3.087 -9.301 -10.011 763 H ILE 91 H ILE 91 1.520 -6.756 -9.028 764 HA ILE 91 HA ILE 91 3.620 -6.243 -7.030 765 HB ILE 91 HB ILE 91 1.936 -5.586 -5.468 766 HG12 ILE 91 2HG1 ILE 91 0.141 -7.271 -5.999 767 HG13 ILE 91 3HG1 ILE 91 -0.480 -5.645 -5.777 768 HG21 ILE 91 1HG2 ILE 91 2.591 -3.878 -7.078 769 HG22 ILE 91 2HG2 ILE 91 0.909 -3.642 -6.599 770 HG23 ILE 91 3HG2 ILE 91 1.287 -4.358 -8.168 771 HD11 ILE 91 3HD1 ILE 91 -0.658 -5.414 -8.226 772 HD12 ILE 91 1HD1 ILE 91 -1.623 -6.737 -7.572 773 HD13 ILE 91 2HD1 ILE 91 -0.106 -7.084 -8.393 774 H THR 92 H THR 92 4.149 -7.701 -5.455 775 HA THR 92 HA THR 92 2.753 -10.320 -5.370 776 HB THR 92 HB THR 92 5.718 -9.760 -4.847 777 HG1 THR 92 HG1 THR 92 4.295 -10.491 -7.129 778 HG21 THR 92 3HG2 THR 92 5.957 -12.230 -4.838 779 HG22 THR 92 1HG2 THR 92 4.206 -12.396 -4.976 780 HG23 THR 92 2HG2 THR 92 4.913 -11.679 -3.525 781 H ARG 93 H ARG 93 1.540 -10.273 -3.560 782 HA ARG 93 HA ARG 93 2.287 -8.615 -1.272 783 HB2 ARG 93 2HB ARG 93 -0.056 -8.602 -2.194 784 HB3 ARG 93 3HB ARG 93 -0.221 -10.290 -1.714 785 HG2 ARG 93 2HG ARG 93 0.237 -9.586 0.659 786 HG3 ARG 93 3HG ARG 93 0.178 -7.908 0.118 787 HD2 ARG 93 2HD ARG 93 -1.952 -8.513 1.086 788 HD3 ARG 93 3HD ARG 93 -2.164 -8.295 -0.655 789 HE ARG 93 HE ARG 93 -1.633 -11.009 -0.110 790 HH11 ARG 93 1HH1 ARG 93 -4.249 -8.653 0.311 791 HH12 ARG 93 2HH1 ARG 93 -5.487 -9.863 0.299 792 HH21 ARG 93 1HH2 ARG 93 -3.280 -12.569 -0.111 793 HH22 ARG 93 2HH2 ARG 93 -4.935 -12.085 0.061 794 H THR 94 H THR 94 3.347 -9.436 0.426 795 HA THR 94 HA THR 94 2.851 -12.207 1.342 796 HB THR 94 HB THR 94 5.511 -10.699 1.293 797 HG1 THR 94 HG1 THR 94 4.334 -12.514 -0.392 798 HG21 THR 94 3HG2 THR 94 4.934 -13.462 2.421 799 HG22 THR 94 1HG2 THR 94 5.349 -12.033 3.370 800 HG23 THR 94 2HG2 THR 94 6.531 -12.733 2.261 801 H VAL 95 H VAL 95 2.064 -12.204 3.424 802 HA VAL 95 HA VAL 95 1.895 -9.723 4.890 803 HB VAL 95 HB VAL 95 0.067 -11.426 4.960 804 HG11 VAL 95 1HG1 VAL 95 1.869 -13.063 6.756 805 HG12 VAL 95 2HG1 VAL 95 1.352 -13.499 5.128 806 HG13 VAL 95 3HG1 VAL 95 0.162 -13.375 6.426 807 HG21 VAL 95 3HG2 VAL 95 -0.493 -11.121 7.345 808 HG22 VAL 95 1HG2 VAL 95 0.156 -9.644 6.625 809 HG23 VAL 95 2HG2 VAL 95 1.172 -10.637 7.671 810 H ARG 96 H ARG 96 3.396 -8.937 6.200 811 HA ARG 96 HA ARG 96 5.843 -10.423 6.734 812 HB2 ARG 96 2HB ARG 96 5.996 -8.125 5.856 813 HB3 ARG 96 3HB ARG 96 5.087 -7.512 7.226 814 HG2 ARG 96 2HG ARG 96 7.516 -7.023 7.355 815 HG3 ARG 96 3HG ARG 96 6.917 -7.951 8.731 816 HD2 ARG 96 2HD ARG 96 9.109 -8.742 7.944 817 HD3 ARG 96 3HD ARG 96 7.873 -9.993 7.818 818 HE ARG 96 HE ARG 96 8.686 -8.374 5.473 819 HH11 ARG 96 1HH1 ARG 96 8.328 -11.545 6.986 820 HH12 ARG 96 2HH1 ARG 96 8.671 -12.411 5.524 821 HH21 ARG 96 1HH2 ARG 96 9.166 -9.554 3.563 822 HH22 ARG 96 2HH2 ARG 96 9.141 -11.284 3.594 823 H THR 97 H THR 97 3.037 -9.303 8.538 824 HA THR 97 HA THR 97 4.175 -10.361 11.057 825 HB THR 97 HB THR 97 1.673 -8.687 10.631 826 HG1 THR 97 HG1 THR 97 4.227 -7.974 10.737 827 HG21 THR 97 3HG2 THR 97 1.651 -8.440 13.109 828 HG22 THR 97 1HG2 THR 97 2.994 -9.579 13.234 829 HG23 THR 97 2HG2 THR 97 1.425 -10.123 12.635 830 H GLU 98 H GLU 98 3.651 -12.368 11.569 831 HA GLU 98 HA GLU 98 1.110 -13.586 10.663 832 HB2 GLU 98 2HB GLU 98 3.241 -14.854 10.196 833 HB3 GLU 98 3HB GLU 98 3.567 -14.894 11.925 834 HG2 GLU 98 2HG GLU 98 1.481 -16.188 12.282 835 HG3 GLU 98 3HG GLU 98 1.190 -16.197 10.542 836 H VAL 99 H VAL 99 -0.459 -13.173 12.156 837 HA VAL 99 HA VAL 99 0.062 -11.788 14.522 838 HB VAL 99 HB VAL 99 -2.037 -11.436 13.434 839 HG11 VAL 99 1HG1 VAL 99 -2.426 -13.617 12.409 840 HG12 VAL 99 2HG1 VAL 99 -3.859 -13.067 13.278 841 HG13 VAL 99 3HG1 VAL 99 -2.824 -14.311 13.984 842 HG21 VAL 99 3HG2 VAL 99 -2.603 -12.740 16.120 843 HG22 VAL 99 1HG2 VAL 99 -3.630 -11.558 15.302 844 HG23 VAL 99 2HG2 VAL 99 -2.027 -11.091 15.876 845 H GLY 100 H GLY 100 1.220 -12.651 16.099 846 HA2 GLY 100 2HA GLY 100 0.986 -15.401 17.034 847 HA3 GLY 100 3HA GLY 100 2.092 -14.162 17.620 848 H SER 101 H SER 101 1.593 -14.874 19.755 849 HA SER 101 HA SER 101 0.529 -15.014 21.738 850 HB2 SER 101 2HB SER 101 -1.103 -12.658 20.687 851 HB3 SER 101 3HB SER 101 -1.024 -13.164 22.378 852 HG SER 101 HG SER 101 1.462 -12.868 21.442 853 H SER 102 H SER 102 -0.397 -16.596 19.480 854 HA SER 102 HA SER 102 -3.221 -17.016 19.609 855 HB2 SER 102 2HB SER 102 -2.609 -19.194 18.425 856 HB3 SER 102 3HB SER 102 -2.016 -17.735 17.627 857 HG SER 102 HG SER 102 -0.560 -19.726 18.150 858 H TRP 103 H TRP 103 -0.388 -18.733 20.942 859 HA TRP 103 HA TRP 103 -1.835 -20.579 22.520 860 HB2 TRP 103 2HB TRP 103 0.505 -20.975 21.811 861 HB3 TRP 103 3HB TRP 103 1.053 -19.666 22.848 862 HD1 TRP 103 HD1 TRP 103 -1.468 -22.387 23.997 863 HE1 TRP 103 HE1 TRP 103 -0.399 -23.743 25.894 864 HE3 TRP 103 HE3 TRP 103 3.234 -20.351 23.919 865 HZ2 TRP 103 HZ2 TRP 103 2.091 -23.943 27.186 866 HZ3 TRP 103 HZ3 TRP 103 4.902 -21.197 25.518 867 HH2 TRP 103 HH2 TRP 103 4.344 -22.957 27.119 868 H SER 104 H SER 104 -3.266 -19.767 23.865 869 HA SER 104 HA SER 104 -2.702 -17.646 25.797 870 HB2 SER 104 2HB SER 104 -5.256 -19.287 25.431 871 HB3 SER 104 3HB SER 104 -5.088 -17.726 26.243 872 HG SER 104 HG SER 104 -4.611 -18.181 23.475 873 H LEU 105 H LEU 105 -1.655 -18.302 27.623 874 HA LEU 105 HA LEU 105 -1.837 -21.052 28.570 875 HB2 LEU 105 2HB LEU 105 -0.285 -18.683 29.692 876 HB3 LEU 105 3HB LEU 105 -0.230 -20.314 30.335 877 HG LEU 105 HG LEU 105 0.654 -21.050 28.018 878 HD11 LEU 105 1HD1 LEU 105 1.185 -18.093 27.688 879 HD12 LEU 105 2HD1 LEU 105 0.053 -19.061 26.741 880 HD13 LEU 105 3HD1 LEU 105 1.781 -19.391 26.646 881 HD21 LEU 105 3HD2 LEU 105 2.969 -20.482 28.559 882 HD22 LEU 105 1HD2 LEU 105 2.081 -20.953 30.008 883 HD23 LEU 105 2HD2 LEU 105 2.420 -19.248 29.698 884 H GLU 106 H GLU 106 -4.222 -20.649 28.778 885 HA GLU 106 HA GLU 106 -5.186 -19.086 30.996 886 HB2 GLU 106 2HB GLU 106 -6.530 -19.370 28.909 887 HB3 GLU 106 3HB GLU 106 -6.668 -21.094 29.236 888 HG2 GLU 106 2HG GLU 106 -7.880 -20.560 31.346 889 HG3 GLU 106 3HG GLU 106 -7.809 -18.851 30.935 890 H HIS 107 H HIS 107 -4.380 -19.838 32.854 891 HA HIS 107 HA HIS 107 -4.738 -22.677 33.603 892 HB2 HIS 107 2HB HIS 107 -2.941 -22.314 35.264 893 HB3 HIS 107 3HB HIS 107 -2.393 -21.964 33.634 894 HD1 HIS 107 HD1 HIS 107 -2.584 -20.538 36.988 895 HD2 HIS 107 HD2 HIS 107 -2.120 -19.079 33.133 896 HE1 HIS 107 HE1 HIS 107 -1.698 -18.212 37.246 897 HE2 HIS 107 HE2 HIS 107 -1.643 -17.290 34.917 898 H HIS 108 H HIS 108 -6.485 -23.008 34.779 899 HA HIS 108 HA HIS 108 -7.178 -21.369 37.055 900 HB2 HIS 108 2HB HIS 108 -9.476 -20.827 36.321 901 HB3 HIS 108 3HB HIS 108 -8.286 -20.089 35.262 902 HD1 HIS 108 HD1 HIS 108 -11.432 -21.631 35.021 903 HD2 HIS 108 HD2 HIS 108 -7.915 -22.001 32.847 904 HE1 HIS 108 HE1 HIS 108 -12.110 -22.559 32.794 905 HE2 HIS 108 HE2 HIS 108 -10.002 -22.537 31.436 906 H HIS 109 H HIS 109 -7.809 -22.668 38.575 907 HA HIS 109 HA HIS 109 -9.853 -24.668 38.151 908 HB2 HIS 109 2HB HIS 109 -7.778 -26.031 37.921 909 HB3 HIS 109 3HB HIS 109 -7.189 -25.421 39.464 910 HD1 HIS 109 HD1 HIS 109 -7.867 -26.696 41.516 911 HD2 HIS 109 HD2 HIS 109 -10.170 -27.729 38.217 912 HE1 HIS 109 HE1 HIS 109 -9.285 -28.623 42.262 913 HE2 HIS 109 HE2 HIS 109 -10.703 -29.204 40.274 914 H HIS 110 H HIS 110 -11.047 -23.086 39.217 915 HA HIS 110 HA HIS 110 -10.250 -21.994 41.772 916 HB2 HIS 110 2HB HIS 110 -12.886 -21.743 40.250 917 HB3 HIS 110 3HB HIS 110 -12.451 -20.826 41.690 918 HD1 HIS 110 HD1 HIS 110 -12.373 -20.621 38.085 919 HD2 HIS 110 HD2 HIS 110 -10.069 -19.094 41.188 920 HE1 HIS 110 HE1 HIS 110 -11.050 -18.743 37.081 921 HE2 HIS 110 HE2 HIS 110 -9.628 -17.874 38.956 922 H HIS 111 H HIS 111 -10.570 -22.997 43.679 923 HA HIS 111 HA HIS 111 -12.434 -25.183 44.013 924 HB2 HIS 111 2HB HIS 111 -11.711 -25.177 46.392 925 HB3 HIS 111 3HB HIS 111 -10.359 -25.266 45.280 926 HD1 HIS 111 HD1 HIS 111 -8.584 -23.475 45.442 927 HD2 HIS 111 HD2 HIS 111 -11.898 -22.656 47.809 928 HE1 HIS 111 HE1 HIS 111 -7.919 -21.544 46.892 929 HE2 HIS 111 HE2 HIS 111 -9.873 -21.179 48.426 930 H HIS 112 H HIS 112 -14.453 -25.112 44.869 931 HA HIS 112 HA HIS 112 -15.627 -22.480 45.545 932 HB2 HIS 112 2HB HIS 112 -17.731 -23.332 44.340 933 HB3 HIS 112 3HB HIS 112 -16.367 -22.897 43.319 934 HD1 HIS 112 HD1 HIS 112 -18.458 -25.805 44.376 935 HD2 HIS 112 HD2 HIS 112 -15.199 -25.070 41.915 936 HE1 HIS 112 HE1 HIS 112 -18.163 -27.884 43.020 937 HE2 HIS 112 HE2 HIS 112 -16.264 -27.381 41.462 Start of MODEL 2 1 H1 MET 1 1H MET 1 -5.429 -3.529 20.568 2 H2 MET 1 2H MET 1 -5.923 -3.883 18.995 3 H3 MET 1 3H MET 1 -6.499 -2.491 19.768 4 HA MET 1 HA MET 1 -4.813 -1.961 18.149 5 HB2 MET 1 2HB MET 1 -3.895 -1.555 21.029 6 HB3 MET 1 3HB MET 1 -3.312 -0.640 19.642 7 HG2 MET 1 2HG MET 1 -6.128 -0.641 20.748 8 HG3 MET 1 3HG MET 1 -4.950 0.668 20.852 9 HE1 MET 1 3HE MET 1 -4.711 1.813 17.089 10 HE2 MET 1 1HE MET 1 -3.668 0.618 17.860 11 HE3 MET 1 2HE MET 1 -4.120 2.090 18.726 12 H LEU 2 H LEU 2 -3.922 -3.708 17.081 13 HA LEU 2 HA LEU 2 -1.285 -4.628 18.064 14 HB2 LEU 2 2HB LEU 2 -1.610 -6.624 16.513 15 HB3 LEU 2 3HB LEU 2 -2.611 -6.589 17.948 16 HG LEU 2 HG LEU 2 -4.539 -5.755 16.478 17 HD11 LEU 2 1HD1 LEU 2 -4.455 -6.174 14.072 18 HD12 LEU 2 2HD1 LEU 2 -2.741 -6.579 14.183 19 HD13 LEU 2 3HD1 LEU 2 -3.293 -4.942 14.544 20 HD21 LEU 2 3HD2 LEU 2 -3.418 -8.502 15.860 21 HD22 LEU 2 1HD2 LEU 2 -5.096 -7.990 15.652 22 HD23 LEU 2 2HD2 LEU 2 -4.392 -8.068 17.267 23 H THR 3 H THR 3 0.331 -4.890 16.367 24 HA THR 3 HA THR 3 -0.083 -3.075 14.057 25 HB THR 3 HB THR 3 2.564 -3.658 15.463 26 HG1 THR 3 HG1 THR 3 0.596 -2.247 16.446 27 HG21 THR 3 3HG2 THR 3 2.777 -2.881 13.124 28 HG22 THR 3 1HG2 THR 3 3.336 -1.645 14.256 29 HG23 THR 3 2HG2 THR 3 1.753 -1.491 13.496 30 H VAL 4 H VAL 4 0.061 -4.053 12.125 31 HA VAL 4 HA VAL 4 1.411 -6.682 11.850 32 HB VAL 4 HB VAL 4 -0.999 -7.112 11.915 33 HG11 VAL 4 1HG1 VAL 4 -1.311 -5.093 9.666 34 HG12 VAL 4 2HG1 VAL 4 -1.855 -4.892 11.333 35 HG13 VAL 4 3HG1 VAL 4 -2.596 -6.124 10.311 36 HG21 VAL 4 3HG2 VAL 4 0.275 -8.488 10.334 37 HG22 VAL 4 1HG2 VAL 4 0.010 -7.303 9.051 38 HG23 VAL 4 2HG2 VAL 4 -1.355 -8.207 9.717 39 H GLU 5 H GLU 5 2.934 -6.676 10.275 40 HA GLU 5 HA GLU 5 2.891 -4.675 8.120 41 HB2 GLU 5 2HB GLU 5 5.065 -6.650 8.946 42 HB3 GLU 5 3HB GLU 5 5.184 -5.579 7.553 43 HG2 GLU 5 2HG GLU 5 4.873 -3.642 9.219 44 HG3 GLU 5 3HG GLU 5 5.181 -4.837 10.486 45 H VAL 6 H VAL 6 2.870 -5.230 5.998 46 HA VAL 6 HA VAL 6 3.135 -8.026 5.160 47 HB VAL 6 HB VAL 6 0.714 -7.566 5.002 48 HG11 VAL 6 1HG1 VAL 6 0.743 -5.123 4.844 49 HG12 VAL 6 2HG1 VAL 6 -0.211 -5.824 3.539 50 HG13 VAL 6 3HG1 VAL 6 1.410 -5.219 3.210 51 HG21 VAL 6 3HG2 VAL 6 1.687 -9.021 3.276 52 HG22 VAL 6 1HG2 VAL 6 1.989 -7.624 2.242 53 HG23 VAL 6 2HG2 VAL 6 0.331 -8.104 2.616 54 H GLU 7 H GLU 7 4.706 -8.189 3.718 55 HA GLU 7 HA GLU 7 6.031 -5.841 2.623 56 HB2 GLU 7 2HB GLU 7 7.334 -7.647 3.741 57 HB3 GLU 7 3HB GLU 7 6.755 -8.804 2.546 58 HG2 GLU 7 2HG GLU 7 7.874 -7.446 0.764 59 HG3 GLU 7 3HG GLU 7 8.535 -6.408 2.030 60 H VAL 8 H VAL 8 5.033 -5.128 0.831 61 HA VAL 8 HA VAL 8 4.069 -6.977 -1.261 62 HB VAL 8 HB VAL 8 3.388 -4.027 -0.805 63 HG11 VAL 8 1HG1 VAL 8 3.197 -4.646 -3.167 64 HG12 VAL 8 2HG1 VAL 8 1.592 -4.392 -2.480 65 HG13 VAL 8 3HG1 VAL 8 2.187 -6.032 -2.745 66 HG21 VAL 8 3HG2 VAL 8 1.165 -4.812 -0.035 67 HG22 VAL 8 1HG2 VAL 8 2.454 -5.424 1.006 68 HG23 VAL 8 2HG2 VAL 8 1.700 -6.487 -0.186 69 H LYS 9 H LYS 9 5.748 -7.311 -2.652 70 HA LYS 9 HA LYS 9 7.640 -5.178 -3.304 71 HB2 LYS 9 2HB LYS 9 7.626 -8.159 -3.718 72 HB3 LYS 9 3HB LYS 9 8.632 -7.177 -4.776 73 HG2 LYS 9 2HG LYS 9 9.766 -6.212 -2.793 74 HG3 LYS 9 3HG LYS 9 8.795 -7.261 -1.743 75 HD2 LYS 9 2HD LYS 9 9.806 -9.252 -2.934 76 HD3 LYS 9 3HD LYS 9 10.843 -8.132 -3.824 77 HE2 LYS 9 2HE LYS 9 10.825 -8.586 -0.818 78 HE3 LYS 9 3HE LYS 9 12.087 -9.076 -1.949 79 HZ1 LYS 9 3HZ LYS 9 12.654 -7.050 -0.725 80 HZ2 LYS 9 1HZ LYS 9 11.319 -6.257 -1.379 81 HZ3 LYS 9 2HZ LYS 9 12.577 -6.759 -2.388 82 H ILE 10 H ILE 10 7.108 -3.823 -4.795 83 HA ILE 10 HA ILE 10 5.098 -4.428 -6.823 84 HB ILE 10 HB ILE 10 6.280 -1.737 -5.993 85 HG12 ILE 10 2HG1 ILE 10 3.666 -3.027 -5.084 86 HG13 ILE 10 3HG1 ILE 10 5.110 -2.845 -4.096 87 HG21 ILE 10 1HG2 ILE 10 4.332 -0.753 -7.140 88 HG22 ILE 10 2HG2 ILE 10 3.790 -2.362 -7.621 89 HG23 ILE 10 3HG2 ILE 10 5.306 -1.713 -8.253 90 HD11 ILE 10 3HD1 ILE 10 4.868 -0.407 -4.214 91 HD12 ILE 10 1HD1 ILE 10 3.461 -1.200 -3.513 92 HD13 ILE 10 2HD1 ILE 10 3.394 -0.604 -5.169 93 H THR 11 H THR 11 5.978 -5.193 -8.639 94 HA THR 11 HA THR 11 8.521 -4.063 -9.681 95 HB THR 11 HB THR 11 8.347 -6.565 -9.538 96 HG1 THR 11 HG1 THR 11 9.792 -5.808 -11.031 97 HG21 THR 11 3HG2 THR 11 6.999 -7.828 -11.185 98 HG22 THR 11 1HG2 THR 11 6.267 -6.320 -11.744 99 HG23 THR 11 2HG2 THR 11 5.964 -6.893 -10.105 100 H ALA 12 H ALA 12 8.545 -2.867 -11.529 101 HA ALA 12 HA ALA 12 6.124 -2.398 -13.128 102 HB1 ALA 12 3HB ALA 12 6.208 0.041 -12.728 103 HB2 ALA 12 1HB ALA 12 7.527 -0.180 -11.573 104 HB3 ALA 12 2HB ALA 12 5.926 -0.835 -11.224 105 H ASP 13 H ASP 13 6.780 -0.462 -14.748 106 HA ASP 13 HA ASP 13 9.179 -1.248 -16.185 107 HB2 ASP 13 2HB ASP 13 7.076 -0.707 -17.395 108 HB3 ASP 13 3HB ASP 13 7.115 0.935 -16.759 109 H ASP 14 H ASP 14 7.935 1.719 -14.652 110 HA ASP 14 HA ASP 14 10.709 2.712 -14.271 111 HB2 ASP 14 2HB ASP 14 8.104 4.258 -14.599 112 HB3 ASP 14 3HB ASP 14 9.587 5.003 -14.015 113 H GLU 15 H GLU 15 11.204 1.916 -12.312 114 HA GLU 15 HA GLU 15 9.452 1.488 -10.142 115 HB2 GLU 15 2HB GLU 15 11.414 0.944 -8.813 116 HB3 GLU 15 3HB GLU 15 11.591 0.251 -10.414 117 HG2 GLU 15 2HG GLU 15 12.968 2.786 -9.457 118 HG3 GLU 15 3HG GLU 15 13.700 1.179 -9.458 119 H ASN 16 H ASN 16 11.504 4.256 -10.933 120 HA ASN 16 HA ASN 16 11.423 5.518 -8.369 121 HB2 ASN 16 2HB ASN 16 11.989 6.723 -11.107 122 HB3 ASN 16 3HB ASN 16 12.325 7.514 -9.573 123 HD21 ASN 16 1HD2 ASN 16 13.351 5.083 -8.276 124 HD22 ASN 16 2HD2 ASN 16 14.886 4.783 -9.000 125 H LYS 17 H LYS 17 9.642 5.998 -11.390 126 HA LYS 17 HA LYS 17 7.858 8.005 -10.475 127 HB2 LYS 17 2HB LYS 17 7.803 6.066 -12.806 128 HB3 LYS 17 3HB LYS 17 6.500 7.221 -12.542 129 HG2 LYS 17 2HG LYS 17 9.420 7.984 -12.927 130 HG3 LYS 17 3HG LYS 17 8.208 7.971 -14.212 131 HD2 LYS 17 2HD LYS 17 7.992 9.663 -11.678 132 HD3 LYS 17 3HD LYS 17 8.614 10.255 -13.223 133 HE2 LYS 17 2HE LYS 17 6.452 9.831 -14.288 134 HE3 LYS 17 3HE LYS 17 5.819 9.143 -12.790 135 HZ1 LYS 17 3HZ LYS 17 5.111 11.424 -13.110 136 HZ2 LYS 17 1HZ LYS 17 6.719 11.944 -13.151 137 HZ3 LYS 17 2HZ LYS 17 6.081 11.283 -11.734 138 H ALA 18 H ALA 18 7.659 4.480 -10.719 139 HA ALA 18 HA ALA 18 5.010 4.029 -9.986 140 HB1 ALA 18 3HB ALA 18 5.746 1.741 -9.397 141 HB2 ALA 18 1HB ALA 18 7.426 2.266 -9.449 142 HB3 ALA 18 2HB ALA 18 6.457 2.273 -10.924 143 H GLU 19 H GLU 19 7.912 4.402 -8.016 144 HA GLU 19 HA GLU 19 6.839 3.696 -5.515 145 HB2 GLU 19 2HB GLU 19 9.268 3.753 -6.065 146 HB3 GLU 19 3HB GLU 19 9.202 5.509 -6.141 147 HG2 GLU 19 2HG GLU 19 8.710 5.658 -3.770 148 HG3 GLU 19 3HG GLU 19 8.545 3.909 -3.656 149 H GLU 20 H GLU 20 7.328 6.894 -7.071 150 HA GLU 20 HA GLU 20 6.257 8.458 -4.977 151 HB2 GLU 20 2HB GLU 20 6.587 9.023 -7.942 152 HB3 GLU 20 3HB GLU 20 5.956 10.230 -6.822 153 HG2 GLU 20 2HG GLU 20 8.707 8.952 -6.753 154 HG3 GLU 20 3HG GLU 20 8.319 10.617 -7.191 155 H ILE 21 H ILE 21 4.690 6.916 -7.781 156 HA ILE 21 HA ILE 21 2.120 8.060 -7.518 157 HB ILE 21 HB ILE 21 2.899 5.307 -8.587 158 HG12 ILE 21 2HG1 ILE 21 2.208 7.863 -10.109 159 HG13 ILE 21 3HG1 ILE 21 3.833 7.243 -9.865 160 HG21 ILE 21 1HG2 ILE 21 0.210 6.711 -8.851 161 HG22 ILE 21 2HG2 ILE 21 0.534 5.245 -7.926 162 HG23 ILE 21 3HG2 ILE 21 0.671 5.222 -9.682 163 HD11 ILE 21 3HD1 ILE 21 1.645 5.879 -11.439 164 HD12 ILE 21 1HD1 ILE 21 3.284 5.262 -11.193 165 HD13 ILE 21 2HD1 ILE 21 3.027 6.755 -12.094 166 H VAL 22 H VAL 22 3.489 5.018 -6.272 167 HA VAL 22 HA VAL 22 1.290 4.015 -4.859 168 HB VAL 22 HB VAL 22 4.283 3.544 -4.526 169 HG11 VAL 22 1HG1 VAL 22 2.055 2.037 -3.112 170 HG12 VAL 22 2HG1 VAL 22 3.262 3.060 -2.337 171 HG13 VAL 22 3HG1 VAL 22 3.757 1.562 -3.125 172 HG21 VAL 22 3HG2 VAL 22 2.089 1.798 -5.699 173 HG22 VAL 22 1HG2 VAL 22 3.808 1.399 -5.641 174 HG23 VAL 22 2HG2 VAL 22 3.247 2.747 -6.633 175 H LYS 23 H LYS 23 3.977 6.061 -3.744 176 HA LYS 23 HA LYS 23 3.385 6.183 -1.018 177 HB2 LYS 23 2HB LYS 23 4.764 8.199 -2.839 178 HB3 LYS 23 3HB LYS 23 4.685 8.392 -1.087 179 HG2 LYS 23 2HG LYS 23 6.010 6.438 -0.709 180 HG3 LYS 23 3HG LYS 23 5.869 5.925 -2.390 181 HD2 LYS 23 2HD LYS 23 8.096 6.815 -2.017 182 HD3 LYS 23 3HD LYS 23 7.215 7.904 -3.088 183 HE2 LYS 23 2HE LYS 23 6.802 9.427 -1.186 184 HE3 LYS 23 3HE LYS 23 7.658 8.318 -0.114 185 HZ1 LYS 23 3HZ LYS 23 8.841 9.753 -2.432 186 HZ2 LYS 23 1HZ LYS 23 9.660 8.659 -1.434 187 HZ3 LYS 23 2HZ LYS 23 9.093 10.118 -0.799 188 H ARG 24 H ARG 24 2.358 8.443 -3.655 189 HA ARG 24 HA ARG 24 0.703 10.014 -1.963 190 HB2 ARG 24 2HB ARG 24 1.429 10.911 -4.168 191 HB3 ARG 24 3HB ARG 24 0.431 9.702 -4.986 192 HG2 ARG 24 2HG ARG 24 -1.589 10.641 -3.874 193 HG3 ARG 24 3HG ARG 24 -0.586 11.862 -3.109 194 HD2 ARG 24 2HD ARG 24 -0.129 12.879 -5.285 195 HD3 ARG 24 3HD ARG 24 -1.055 11.599 -6.093 196 HE ARG 24 HE ARG 24 -2.670 12.728 -4.095 197 HH11 ARG 24 1HH1 ARG 24 -1.347 13.728 -7.198 198 HH12 ARG 24 2HH1 ARG 24 -2.646 14.830 -7.515 199 HH21 ARG 24 1HH2 ARG 24 -4.377 14.102 -4.544 200 HH22 ARG 24 2HH2 ARG 24 -4.376 15.042 -6.000 201 H VAL 25 H VAL 25 0.047 7.077 -3.864 202 HA VAL 25 HA VAL 25 -2.758 7.070 -3.762 203 HB VAL 25 HB VAL 25 -0.724 4.828 -4.080 204 HG11 VAL 25 1HG1 VAL 25 -3.739 4.511 -4.176 205 HG12 VAL 25 2HG1 VAL 25 -2.654 3.781 -2.991 206 HG13 VAL 25 3HG1 VAL 25 -2.573 3.287 -4.682 207 HG21 VAL 25 3HG2 VAL 25 -1.554 4.756 -6.407 208 HG22 VAL 25 1HG2 VAL 25 -0.986 6.377 -5.990 209 HG23 VAL 25 2HG2 VAL 25 -2.715 6.032 -6.036 210 H ILE 26 H ILE 26 -0.343 5.722 -1.508 211 HA ILE 26 HA ILE 26 -2.142 4.530 0.339 212 HB ILE 26 HB ILE 26 0.660 5.623 0.871 213 HG12 ILE 26 2HG1 ILE 26 -0.099 2.741 0.226 214 HG13 ILE 26 3HG1 ILE 26 0.482 3.880 -0.980 215 HG21 ILE 26 1HG2 ILE 26 0.718 4.053 2.791 216 HG22 ILE 26 2HG2 ILE 26 -0.958 3.603 2.470 217 HG23 ILE 26 3HG2 ILE 26 -0.564 5.250 2.969 218 HD11 ILE 26 3HD1 ILE 26 2.260 2.430 -0.219 219 HD12 ILE 26 1HD1 ILE 26 2.020 2.961 1.446 220 HD13 ILE 26 2HD1 ILE 26 2.590 4.103 0.224 221 H ASP 27 H ASP 27 -0.737 7.771 0.014 222 HA ASP 27 HA ASP 27 -1.782 8.901 2.418 223 HB2 ASP 27 2HB ASP 27 0.116 9.837 0.998 224 HB3 ASP 27 3HB ASP 27 -1.092 10.394 -0.151 225 H GLU 28 H GLU 28 -3.149 8.495 -0.827 226 HA GLU 28 HA GLU 28 -5.470 10.138 -0.469 227 HB2 GLU 28 2HB GLU 28 -5.064 7.827 -2.423 228 HB3 GLU 28 3HB GLU 28 -6.348 9.026 -2.508 229 HG2 GLU 28 2HG GLU 28 -3.386 9.498 -2.938 230 HG3 GLU 28 3HG GLU 28 -4.637 9.483 -4.171 231 H VAL 29 H VAL 29 -4.725 6.693 -0.042 232 HA VAL 29 HA VAL 29 -7.351 5.829 0.711 233 HB VAL 29 HB VAL 29 -4.629 4.517 1.202 234 HG11 VAL 29 1HG1 VAL 29 -5.881 2.398 1.544 235 HG12 VAL 29 2HG1 VAL 29 -7.400 3.291 1.437 236 HG13 VAL 29 3HG1 VAL 29 -6.285 3.602 2.768 237 HG21 VAL 29 3HG2 VAL 29 -5.123 4.790 -1.198 238 HG22 VAL 29 1HG2 VAL 29 -6.674 3.981 -0.981 239 HG23 VAL 29 2HG2 VAL 29 -5.171 3.085 -0.744 240 H GLU 30 H GLU 30 -4.599 7.176 2.378 241 HA GLU 30 HA GLU 30 -4.936 6.407 5.018 242 HB2 GLU 30 2HB GLU 30 -2.926 7.539 4.211 243 HB3 GLU 30 3HB GLU 30 -3.834 8.999 3.865 244 HG2 GLU 30 2HG GLU 30 -2.551 9.373 5.860 245 HG3 GLU 30 3HG GLU 30 -4.251 9.281 6.309 246 H ARG 31 H ARG 31 -6.290 9.273 3.379 247 HA ARG 31 HA ARG 31 -7.578 10.365 5.674 248 HB2 ARG 31 2HB ARG 31 -8.567 11.970 4.165 249 HB3 ARG 31 3HB ARG 31 -6.902 11.696 3.674 250 HG2 ARG 31 2HG ARG 31 -7.737 10.159 1.873 251 HG3 ARG 31 3HG ARG 31 -9.385 10.585 2.338 252 HD2 ARG 31 2HD ARG 31 -7.280 12.334 1.048 253 HD3 ARG 31 3HD ARG 31 -8.894 11.953 0.462 254 HE ARG 31 HE ARG 31 -8.163 14.169 2.009 255 HH11 ARG 31 1HH1 ARG 31 -10.837 11.861 1.900 256 HH12 ARG 31 2HH1 ARG 31 -11.953 12.977 2.607 257 HH21 ARG 31 1HH2 ARG 31 -9.634 15.574 2.930 258 HH22 ARG 31 2HH2 ARG 31 -11.276 15.085 3.192 259 H GLU 32 H GLU 32 -8.498 7.955 3.316 260 HA GLU 32 HA GLU 32 -11.333 8.050 3.943 261 HB2 GLU 32 2HB GLU 32 -9.751 6.230 2.089 262 HB3 GLU 32 3HB GLU 32 -11.507 6.215 2.255 263 HG2 GLU 32 2HG GLU 32 -9.807 8.497 1.198 264 HG3 GLU 32 3HG GLU 32 -10.867 7.453 0.255 265 H VAL 33 H VAL 33 -8.529 6.315 4.972 266 HA VAL 33 HA VAL 33 -9.959 4.131 6.230 267 HB VAL 33 HB VAL 33 -7.051 5.035 6.271 268 HG11 VAL 33 1HG1 VAL 33 -8.212 2.690 7.820 269 HG12 VAL 33 2HG1 VAL 33 -7.494 4.142 8.519 270 HG13 VAL 33 3HG1 VAL 33 -6.489 3.016 7.604 271 HG21 VAL 33 3HG2 VAL 33 -8.386 2.518 5.204 272 HG22 VAL 33 1HG2 VAL 33 -6.659 2.877 5.117 273 HG23 VAL 33 2HG2 VAL 33 -7.814 3.878 4.234 274 H GLN 34 H GLN 34 -8.543 7.247 7.220 275 HA GLN 34 HA GLN 34 -8.897 6.802 10.030 276 HB2 GLN 34 2HB GLN 34 -8.290 9.354 8.505 277 HB3 GLN 34 3HB GLN 34 -8.273 9.224 10.264 278 HG2 GLN 34 2HG GLN 34 -6.477 7.722 8.340 279 HG3 GLN 34 3HG GLN 34 -6.012 9.086 9.350 280 HE21 GLN 34 1HE2 GLN 34 -4.964 6.322 9.224 281 HE22 GLN 34 2HE2 GLN 34 -5.058 5.724 10.835 282 H LYS 35 H LYS 35 -11.098 7.814 7.603 283 HA LYS 35 HA LYS 35 -12.911 9.189 9.451 284 HB2 LYS 35 2HB LYS 35 -14.301 9.611 7.532 285 HB3 LYS 35 3HB LYS 35 -12.634 9.911 7.055 286 HG2 LYS 35 2HG LYS 35 -12.664 7.505 6.101 287 HG3 LYS 35 3HG LYS 35 -14.416 7.582 6.292 288 HD2 LYS 35 2HD LYS 35 -12.710 9.458 4.610 289 HD3 LYS 35 3HD LYS 35 -13.711 8.149 3.994 290 HE2 LYS 35 2HE LYS 35 -15.730 9.315 4.757 291 HE3 LYS 35 3HE LYS 35 -14.744 10.617 5.433 292 HZ1 LYS 35 3HZ LYS 35 -14.888 9.850 2.564 293 HZ2 LYS 35 1HZ LYS 35 -13.904 11.069 3.200 294 HZ3 LYS 35 2HZ LYS 35 -15.588 11.221 3.261 295 H GLN 36 H GLN 36 -12.273 5.959 8.513 296 HA GLN 36 HA GLN 36 -14.944 4.991 9.348 297 HB2 GLN 36 2HB GLN 36 -12.774 3.716 7.626 298 HB3 GLN 36 3HB GLN 36 -14.177 2.828 8.207 299 HG2 GLN 36 2HG GLN 36 -14.256 5.260 6.391 300 HG3 GLN 36 3HG GLN 36 -14.476 3.584 5.881 301 HE21 GLN 36 1HE2 GLN 36 -16.308 5.939 5.742 302 HE22 GLN 36 2HE2 GLN 36 -17.762 5.433 6.527 303 H TYR 37 H TYR 37 -11.518 4.122 9.558 304 HA TYR 37 HA TYR 37 -11.872 2.707 12.096 305 HB2 TYR 37 2HB TYR 37 -9.375 2.846 10.361 306 HB3 TYR 37 3HB TYR 37 -9.711 1.693 11.643 307 HD1 TYR 37 HD1 TYR 37 -11.220 -0.245 11.216 308 HD2 TYR 37 HD2 TYR 37 -10.355 2.575 8.119 309 HE1 TYR 37 HE1 TYR 37 -12.107 -1.808 9.533 310 HE2 TYR 37 HE2 TYR 37 -11.243 1.019 6.443 311 HH TYR 37 HH TYR 37 -11.627 -1.411 6.194 312 HA PRO 38 HA PRO 38 -10.218 6.722 13.717 313 HB2 PRO 38 2HB PRO 38 -10.963 6.345 16.346 314 HB3 PRO 38 3HB PRO 38 -12.101 6.879 15.092 315 HG2 PRO 38 2HG PRO 38 -11.687 4.103 16.180 316 HG3 PRO 38 3HG PRO 38 -13.208 4.976 15.874 317 HD2 PRO 38 2HD PRO 38 -12.255 3.145 14.116 318 HD3 PRO 38 3HD PRO 38 -13.135 4.589 13.568 319 H ASN 39 H ASN 39 -9.687 3.482 15.015 320 HA ASN 39 HA ASN 39 -7.231 4.247 16.433 321 HB2 ASN 39 2HB ASN 39 -8.866 1.676 16.371 322 HB3 ASN 39 3HB ASN 39 -7.332 1.812 17.223 323 HD21 ASN 39 1HD2 ASN 39 -8.247 1.436 19.261 324 HD22 ASN 39 2HD2 ASN 39 -9.258 2.598 20.047 325 H ALA 40 H ALA 40 -7.632 3.903 13.368 326 HA ALA 40 HA ALA 40 -5.550 1.986 12.703 327 HB1 ALA 40 3HB ALA 40 -7.428 2.285 11.165 328 HB2 ALA 40 1HB ALA 40 -5.912 2.735 10.380 329 HB3 ALA 40 2HB ALA 40 -7.018 3.987 10.957 330 H THR 41 H THR 41 -3.455 2.479 12.234 331 HA THR 41 HA THR 41 -2.693 5.220 11.507 332 HB THR 41 HB THR 41 -1.019 3.481 13.385 333 HG1 THR 41 HG1 THR 41 -3.052 5.063 14.019 334 HG21 THR 41 3HG2 THR 41 0.418 5.478 13.629 335 HG22 THR 41 1HG2 THR 41 -0.578 6.335 12.452 336 HG23 THR 41 2HG2 THR 41 0.368 4.932 11.950 337 H ILE 42 H ILE 42 -1.994 4.998 9.436 338 HA ILE 42 HA ILE 42 -0.874 2.450 8.498 339 HB ILE 42 HB ILE 42 -1.503 4.953 6.867 340 HG12 ILE 42 2HG1 ILE 42 -3.197 2.432 7.180 341 HG13 ILE 42 3HG1 ILE 42 -3.569 4.002 7.883 342 HG21 ILE 42 1HG2 ILE 42 0.174 3.516 5.789 343 HG22 ILE 42 2HG2 ILE 42 -1.348 3.462 4.900 344 HG23 ILE 42 3HG2 ILE 42 -0.896 2.118 5.948 345 HD11 ILE 42 3HD1 ILE 42 -4.902 3.581 5.902 346 HD12 ILE 42 1HD1 ILE 42 -3.449 3.387 4.923 347 HD13 ILE 42 2HD1 ILE 42 -3.830 4.955 5.647 348 H THR 43 H THR 43 1.194 2.379 9.245 349 HA THR 43 HA THR 43 3.130 4.465 8.536 350 HB THR 43 HB THR 43 3.475 1.805 10.003 351 HG1 THR 43 HG1 THR 43 2.816 4.375 10.787 352 HG21 THR 43 3HG2 THR 43 5.700 2.645 10.669 353 HG22 THR 43 1HG2 THR 43 5.467 4.086 9.682 354 HG23 THR 43 2HG2 THR 43 5.599 2.502 8.913 355 H ARG 44 H ARG 44 4.494 4.249 6.804 356 HA ARG 44 HA ARG 44 4.802 1.681 5.448 357 HB2 ARG 44 2HB ARG 44 4.266 2.567 3.199 358 HB3 ARG 44 3HB ARG 44 2.860 2.547 4.247 359 HG2 ARG 44 2HG ARG 44 4.493 5.042 3.678 360 HG3 ARG 44 3HG ARG 44 3.084 4.560 2.735 361 HD2 ARG 44 2HD ARG 44 1.731 4.639 4.875 362 HD3 ARG 44 3HD ARG 44 3.140 5.340 5.675 363 HE ARG 44 HE ARG 44 2.783 7.005 3.595 364 HH11 ARG 44 1HH1 ARG 44 0.539 5.786 5.999 365 HH12 ARG 44 2HH1 ARG 44 -0.469 7.185 5.943 366 HH21 ARG 44 1HH2 ARG 44 1.424 8.848 3.518 367 HH22 ARG 44 2HH2 ARG 44 0.025 8.927 4.538 368 H THR 45 H THR 45 6.720 1.424 4.420 369 HA THR 45 HA THR 45 8.382 3.740 3.754 370 HB THR 45 HB THR 45 9.430 1.447 5.480 371 HG1 THR 45 HG1 THR 45 8.633 4.084 6.009 372 HG21 THR 45 3HG2 THR 45 11.145 2.210 3.866 373 HG22 THR 45 1HG2 THR 45 11.564 2.717 5.506 374 HG23 THR 45 2HG2 THR 45 10.889 3.884 4.369 375 H LEU 46 H LEU 46 9.193 3.458 1.797 376 HA LEU 46 HA LEU 46 9.014 0.838 0.466 377 HB2 LEU 46 2HB LEU 46 9.186 3.642 -0.713 378 HB3 LEU 46 3HB LEU 46 9.122 2.161 -1.652 379 HG LEU 46 HG LEU 46 6.835 1.735 -0.439 380 HD11 LEU 46 1HD1 LEU 46 7.022 4.717 0.017 381 HD12 LEU 46 2HD1 LEU 46 6.985 3.464 1.258 382 HD13 LEU 46 3HD1 LEU 46 5.576 3.721 0.231 383 HD21 LEU 46 3HD2 LEU 46 6.994 3.930 -2.513 384 HD22 LEU 46 1HD2 LEU 46 5.577 2.945 -2.135 385 HD23 LEU 46 2HD2 LEU 46 7.011 2.195 -2.834 386 H THR 47 H THR 47 10.786 -0.041 -0.578 387 HA THR 47 HA THR 47 13.454 1.194 -0.145 388 HB THR 47 HB THR 47 12.719 -1.746 0.293 389 HG1 THR 47 HG1 THR 47 12.468 0.352 1.935 390 HG21 THR 47 3HG2 THR 47 15.068 -1.449 -0.447 391 HG22 THR 47 1HG2 THR 47 14.979 -1.988 1.235 392 HG23 THR 47 2HG2 THR 47 15.328 -0.298 0.867 393 H ARG 48 H ARG 48 15.071 0.456 -1.737 394 HA ARG 48 HA ARG 48 13.835 -0.298 -4.316 395 HB2 ARG 48 2HB ARG 48 15.073 1.992 -3.909 396 HB3 ARG 48 3HB ARG 48 16.545 1.041 -4.021 397 HG2 ARG 48 2HG ARG 48 16.185 1.953 -6.185 398 HG3 ARG 48 3HG ARG 48 15.722 0.251 -6.303 399 HD2 ARG 48 2HD ARG 48 14.120 1.832 -7.439 400 HD3 ARG 48 3HD ARG 48 13.360 0.819 -6.212 401 HE ARG 48 HE ARG 48 12.731 2.730 -5.157 402 HH11 ARG 48 1HH1 ARG 48 15.609 3.609 -7.036 403 HH12 ARG 48 2HH1 ARG 48 15.539 5.270 -6.557 404 HH21 ARG 48 1HH2 ARG 48 12.761 4.919 -4.510 405 HH22 ARG 48 2HH2 ARG 48 13.956 6.002 -5.153 406 H ASP 49 H ASP 49 14.007 -2.530 -4.299 407 HA ASP 49 HA ASP 49 16.648 -3.790 -3.851 408 HB2 ASP 49 2HB ASP 49 13.952 -5.077 -4.461 409 HB3 ASP 49 3HB ASP 49 15.441 -5.949 -4.092 410 H ASP 50 H ASP 50 17.660 -2.878 -5.641 411 HA ASP 50 HA ASP 50 18.496 -2.689 -7.715 412 HB2 ASP 50 2HB ASP 50 16.827 -5.137 -8.437 413 HB3 ASP 50 3HB ASP 50 18.133 -4.461 -9.406 414 H GLY 51 H GLY 51 15.236 -3.882 -8.601 415 HA2 GLY 51 2HA GLY 51 14.443 -1.167 -9.493 416 HA3 GLY 51 3HA GLY 51 14.237 -2.563 -10.547 417 H THR 52 H THR 52 13.635 -4.126 -7.899 418 HA THR 52 HA THR 52 10.739 -3.707 -8.011 419 HB THR 52 HB THR 52 12.318 -5.844 -6.518 420 HG1 THR 52 HG1 THR 52 12.361 -5.636 -9.013 421 HG21 THR 52 3HG2 THR 52 10.181 -7.116 -6.553 422 HG22 THR 52 1HG2 THR 52 9.380 -5.744 -7.320 423 HG23 THR 52 2HG2 THR 52 9.997 -5.595 -5.673 424 H VAL 53 H VAL 53 9.771 -2.396 -6.620 425 HA VAL 53 HA VAL 53 11.219 -1.260 -4.379 426 HB VAL 53 HB VAL 53 8.432 -0.614 -5.451 427 HG11 VAL 53 1HG1 VAL 53 8.647 0.049 -3.087 428 HG12 VAL 53 2HG1 VAL 53 8.591 1.472 -4.128 429 HG13 VAL 53 3HG1 VAL 53 10.131 0.932 -3.460 430 HG21 VAL 53 3HG2 VAL 53 9.487 1.379 -6.487 431 HG22 VAL 53 1HG2 VAL 53 10.191 -0.115 -7.116 432 HG23 VAL 53 2HG2 VAL 53 11.069 0.840 -5.919 433 H GLU 54 H GLU 54 11.157 -2.248 -2.414 434 HA GLU 54 HA GLU 54 9.052 -4.073 -1.655 435 HB2 GLU 54 2HB GLU 54 11.405 -4.518 -1.013 436 HB3 GLU 54 3HB GLU 54 11.431 -3.038 -0.063 437 HG2 GLU 54 2HG GLU 54 9.699 -3.968 1.436 438 HG3 GLU 54 3HG GLU 54 9.655 -5.439 0.470 439 H LEU 55 H LEU 55 7.174 -3.030 -1.269 440 HA LEU 55 HA LEU 55 7.029 -0.588 0.327 441 HB2 LEU 55 2HB LEU 55 5.565 -0.665 -1.596 442 HB3 LEU 55 3HB LEU 55 4.964 -2.255 -1.155 443 HG LEU 55 HG LEU 55 3.817 -1.264 0.834 444 HD11 LEU 55 1HD1 LEU 55 5.298 0.644 1.213 445 HD12 LEU 55 2HD1 LEU 55 3.615 1.140 1.097 446 HD13 LEU 55 3HD1 LEU 55 4.704 1.409 -0.265 447 HD21 LEU 55 3HD2 LEU 55 3.066 0.004 -1.813 448 HD22 LEU 55 1HD2 LEU 55 2.024 -0.107 -0.390 449 HD23 LEU 55 2HD2 LEU 55 2.550 -1.574 -1.212 450 H ARG 56 H ARG 56 6.845 -0.727 2.472 451 HA ARG 56 HA ARG 56 5.959 -3.234 3.760 452 HB2 ARG 56 2HB ARG 56 7.460 -0.830 4.915 453 HB3 ARG 56 3HB ARG 56 7.091 -2.321 5.781 454 HG2 ARG 56 2HG ARG 56 8.860 -2.152 3.314 455 HG3 ARG 56 3HG ARG 56 9.454 -2.177 4.979 456 HD2 ARG 56 2HD ARG 56 7.751 -4.389 3.771 457 HD3 ARG 56 3HD ARG 56 9.517 -4.399 3.790 458 HE ARG 56 HE ARG 56 7.954 -4.193 6.292 459 HH11 ARG 56 1HH1 ARG 56 10.403 -5.863 4.364 460 HH12 ARG 56 2HH1 ARG 56 10.904 -6.875 5.682 461 HH21 ARG 56 1HH2 ARG 56 8.673 -5.463 8.013 462 HH22 ARG 56 2HH2 ARG 56 9.917 -6.647 7.758 463 H ILE 57 H ILE 57 3.747 -3.082 3.880 464 HA ILE 57 HA ILE 57 2.500 -0.578 4.815 465 HB ILE 57 HB ILE 57 1.279 -3.152 3.715 466 HG12 ILE 57 2HG1 ILE 57 2.252 -1.671 2.002 467 HG13 ILE 57 3HG1 ILE 57 0.499 -1.699 1.850 468 HG21 ILE 57 1HG2 ILE 57 -0.953 -2.074 3.873 469 HG22 ILE 57 2HG2 ILE 57 -0.225 -0.719 4.742 470 HG23 ILE 57 3HG2 ILE 57 -0.230 -2.329 5.462 471 HD11 ILE 57 3HD1 ILE 57 1.383 0.521 1.524 472 HD12 ILE 57 1HD1 ILE 57 2.142 0.499 3.114 473 HD13 ILE 57 2HD1 ILE 57 0.378 0.483 2.971 474 H LYS 58 H LYS 58 2.479 -0.349 6.889 475 HA LYS 58 HA LYS 58 2.307 -2.635 8.743 476 HB2 LYS 58 2HB LYS 58 4.560 -1.544 8.656 477 HB3 LYS 58 3HB LYS 58 3.818 0.004 9.033 478 HG2 LYS 58 2HG LYS 58 3.187 -0.790 11.257 479 HG3 LYS 58 3HG LYS 58 3.807 -2.406 10.879 480 HD2 LYS 58 2HD LYS 58 6.085 -1.385 10.535 481 HD3 LYS 58 3HD LYS 58 5.434 0.165 11.068 482 HE2 LYS 58 2HE LYS 58 5.011 -0.729 13.280 483 HE3 LYS 58 3HE LYS 58 5.480 -2.350 12.760 484 HZ1 LYS 58 3HZ LYS 58 7.713 -1.474 12.308 485 HZ2 LYS 58 1HZ LYS 58 7.290 -1.313 13.935 486 HZ3 LYS 58 2HZ LYS 58 7.251 0.032 12.910 487 H VAL 59 H VAL 59 0.184 -2.555 9.232 488 HA VAL 59 HA VAL 59 -1.143 0.016 9.774 489 HB VAL 59 HB VAL 59 -2.369 -2.711 9.155 490 HG11 VAL 59 1HG1 VAL 59 -3.739 -0.023 9.537 491 HG12 VAL 59 2HG1 VAL 59 -3.839 -1.398 10.639 492 HG13 VAL 59 3HG1 VAL 59 -4.535 -1.515 9.021 493 HG21 VAL 59 3HG2 VAL 59 -3.043 -1.708 7.001 494 HG22 VAL 59 1HG2 VAL 59 -1.287 -1.709 7.182 495 HG23 VAL 59 2HG2 VAL 59 -2.201 -0.216 7.427 496 H LYS 60 H LYS 60 -1.107 0.506 11.858 497 HA LYS 60 HA LYS 60 -1.474 -1.536 13.930 498 HB2 LYS 60 2HB LYS 60 0.220 0.220 14.312 499 HB3 LYS 60 3HB LYS 60 -1.002 1.468 14.097 500 HG2 LYS 60 2HG LYS 60 -2.183 0.652 16.122 501 HG3 LYS 60 3HG LYS 60 -0.940 -0.586 16.337 502 HD2 LYS 60 2HD LYS 60 -0.562 1.361 17.812 503 HD3 LYS 60 3HD LYS 60 0.768 1.137 16.673 504 HE2 LYS 60 2HE LYS 60 -0.145 2.944 15.255 505 HE3 LYS 60 3HE LYS 60 -1.497 3.140 16.375 506 HZ1 LYS 60 3HZ LYS 60 -0.014 3.859 18.065 507 HZ2 LYS 60 1HZ LYS 60 0.306 4.762 16.673 508 HZ3 LYS 60 2HZ LYS 60 1.346 3.509 17.124 509 H ALA 61 H ALA 61 -3.551 -2.085 14.253 510 HA ALA 61 HA ALA 61 -5.699 -0.065 14.269 511 HB1 ALA 61 3HB ALA 61 -5.688 -0.983 11.969 512 HB2 ALA 61 1HB ALA 61 -7.151 -1.453 12.842 513 HB3 ALA 61 2HB ALA 61 -5.843 -2.616 12.618 514 H ASP 62 H ASP 62 -7.786 -1.134 15.026 515 HA ASP 62 HA ASP 62 -7.583 -2.064 17.606 516 HB2 ASP 62 2HB ASP 62 -9.617 -1.062 16.826 517 HB3 ASP 62 3HB ASP 62 -9.823 -2.272 15.561 518 H THR 63 H THR 63 -8.509 -4.044 14.793 519 HA THR 63 HA THR 63 -7.315 -6.453 16.024 520 HB THR 63 HB THR 63 -9.207 -7.728 14.704 521 HG1 THR 63 HG1 THR 63 -10.556 -5.249 15.099 522 HG21 THR 63 3HG2 THR 63 -10.784 -7.617 16.585 523 HG22 THR 63 1HG2 THR 63 -9.961 -6.185 17.210 524 HG23 THR 63 2HG2 THR 63 -9.123 -7.738 17.167 525 H GLU 64 H GLU 64 -6.589 -8.058 14.457 526 HA GLU 64 HA GLU 64 -5.245 -6.915 12.218 527 HB2 GLU 64 2HB GLU 64 -4.434 -9.221 11.759 528 HB3 GLU 64 3HB GLU 64 -4.227 -8.756 13.435 529 HG2 GLU 64 2HG GLU 64 -4.907 -11.008 13.509 530 HG3 GLU 64 3HG GLU 64 -6.334 -10.077 13.954 531 H GLU 65 H GLU 65 -8.275 -8.600 12.611 532 HA GLU 65 HA GLU 65 -8.973 -9.239 10.003 533 HB2 GLU 65 2HB GLU 65 -10.257 -9.929 11.987 534 HB3 GLU 65 3HB GLU 65 -10.691 -8.261 12.327 535 HG2 GLU 65 2HG GLU 65 -12.576 -9.491 11.370 536 HG3 GLU 65 3HG GLU 65 -12.076 -8.178 10.305 537 H LYS 66 H LYS 66 -9.588 -6.212 11.793 538 HA LYS 66 HA LYS 66 -10.695 -4.825 9.543 539 HB2 LYS 66 2HB LYS 66 -9.710 -3.699 12.193 540 HB3 LYS 66 3HB LYS 66 -10.759 -2.878 11.035 541 HG2 LYS 66 2HG LYS 66 -12.478 -4.666 11.387 542 HG3 LYS 66 3HG LYS 66 -11.436 -5.379 12.621 543 HD2 LYS 66 2HD LYS 66 -13.111 -4.059 13.741 544 HD3 LYS 66 3HD LYS 66 -11.570 -3.212 13.897 545 HE2 LYS 66 2HE LYS 66 -12.209 -1.640 12.152 546 HE3 LYS 66 3HE LYS 66 -13.673 -2.563 11.810 547 HZ1 LYS 66 3HZ LYS 66 -13.066 -1.093 14.307 548 HZ2 LYS 66 1HZ LYS 66 -14.423 -2.075 14.075 549 HZ3 LYS 66 2HZ LYS 66 -14.220 -0.684 13.140 550 H ALA 67 H ALA 67 -7.507 -5.215 10.881 551 HA ALA 67 HA ALA 67 -6.189 -3.066 9.561 552 HB1 ALA 67 3HB ALA 67 -5.249 -4.188 11.544 553 HB2 ALA 67 1HB ALA 67 -4.118 -4.222 10.188 554 HB3 ALA 67 2HB ALA 67 -5.039 -5.670 10.610 555 H LYS 68 H LYS 68 -6.749 -6.494 8.708 556 HA LYS 68 HA LYS 68 -5.356 -6.653 6.284 557 HB2 LYS 68 2HB LYS 68 -7.915 -8.053 7.155 558 HB3 LYS 68 3HB LYS 68 -7.106 -8.426 5.640 559 HG2 LYS 68 2HG LYS 68 -6.013 -8.855 8.429 560 HG3 LYS 68 3HG LYS 68 -6.603 -10.094 7.315 561 HD2 LYS 68 2HD LYS 68 -4.742 -9.323 5.707 562 HD3 LYS 68 3HD LYS 68 -4.097 -8.390 7.066 563 HE2 LYS 68 2HE LYS 68 -4.427 -11.401 6.889 564 HE3 LYS 68 3HE LYS 68 -2.923 -10.487 7.004 565 HZ1 LYS 68 3HZ LYS 68 -3.546 -9.800 9.235 566 HZ2 LYS 68 1HZ LYS 68 -3.523 -11.483 9.117 567 HZ3 LYS 68 2HZ LYS 68 -5.000 -10.662 9.137 568 H SER 69 H SER 69 -8.582 -5.430 7.045 569 HA SER 69 HA SER 69 -9.561 -5.074 4.420 570 HB2 SER 69 2HB SER 69 -11.003 -5.146 6.446 571 HB3 SER 69 3HB SER 69 -10.325 -3.607 6.979 572 HG SER 69 HG SER 69 -12.417 -3.809 5.613 573 H ILE 70 H ILE 70 -7.760 -2.946 6.623 574 HA ILE 70 HA ILE 70 -7.761 -0.582 5.040 575 HB ILE 70 HB ILE 70 -5.839 -1.558 7.199 576 HG12 ILE 70 2HG1 ILE 70 -8.143 0.434 7.418 577 HG13 ILE 70 3HG1 ILE 70 -8.261 -1.260 7.865 578 HG21 ILE 70 1HG2 ILE 70 -5.096 0.786 7.447 579 HG22 ILE 70 2HG2 ILE 70 -6.078 1.241 6.053 580 HG23 ILE 70 3HG2 ILE 70 -4.709 0.146 5.852 581 HD11 ILE 70 3HD1 ILE 70 -7.995 0.147 9.806 582 HD12 ILE 70 1HD1 ILE 70 -6.478 0.790 9.178 583 HD13 ILE 70 2HD1 ILE 70 -6.601 -0.915 9.624 584 H ILE 71 H ILE 71 -5.450 -3.257 5.395 585 HA ILE 71 HA ILE 71 -3.462 -2.507 3.569 586 HB ILE 71 HB ILE 71 -4.412 -5.299 4.376 587 HG12 ILE 71 2HG1 ILE 71 -2.017 -3.701 5.408 588 HG13 ILE 71 3HG1 ILE 71 -3.546 -3.871 6.258 589 HG21 ILE 71 1HG2 ILE 71 -2.237 -6.144 3.564 590 HG22 ILE 71 2HG2 ILE 71 -1.845 -4.535 2.951 591 HG23 ILE 71 3HG2 ILE 71 -3.194 -5.443 2.263 592 HD11 ILE 71 3HD1 ILE 71 -1.907 -5.345 7.211 593 HD12 ILE 71 1HD1 ILE 71 -1.586 -6.086 5.643 594 HD13 ILE 71 2HD1 ILE 71 -3.155 -6.309 6.423 595 H LYS 72 H LYS 72 -6.489 -4.302 3.123 596 HA LYS 72 HA LYS 72 -6.294 -5.063 0.436 597 HB2 LYS 72 2HB LYS 72 -7.965 -6.133 1.759 598 HB3 LYS 72 3HB LYS 72 -8.602 -4.609 2.344 599 HG2 LYS 72 2HG LYS 72 -10.192 -5.697 0.847 600 HG3 LYS 72 3HG LYS 72 -9.644 -4.163 0.173 601 HD2 LYS 72 2HD LYS 72 -9.787 -5.837 -1.587 602 HD3 LYS 72 3HD LYS 72 -8.101 -5.389 -1.337 603 HE2 LYS 72 2HE LYS 72 -7.791 -7.475 -0.009 604 HE3 LYS 72 3HE LYS 72 -9.466 -7.914 -0.352 605 HZ1 LYS 72 3HZ LYS 72 -8.972 -7.980 -2.683 606 HZ2 LYS 72 1HZ LYS 72 -7.883 -8.974 -1.860 607 HZ3 LYS 72 2HZ LYS 72 -7.386 -7.457 -2.423 608 H LEU 73 H LEU 73 -7.722 -2.143 1.927 609 HA LEU 73 HA LEU 73 -8.668 -0.889 -0.410 610 HB2 LEU 73 2HB LEU 73 -8.084 -0.012 2.397 611 HB3 LEU 73 3HB LEU 73 -8.152 1.267 1.201 612 HG LEU 73 HG LEU 73 -10.473 0.659 0.624 613 HD11 LEU 73 1HD1 LEU 73 -11.755 -0.971 1.892 614 HD12 LEU 73 2HD1 LEU 73 -10.307 -1.444 2.784 615 HD13 LEU 73 3HD1 LEU 73 -10.416 -1.743 1.049 616 HD21 LEU 73 3HD2 LEU 73 -10.105 2.324 2.360 617 HD22 LEU 73 1HD2 LEU 73 -10.050 1.065 3.598 618 HD23 LEU 73 2HD2 LEU 73 -11.548 1.380 2.717 619 H ILE 74 H ILE 74 -5.506 -0.755 1.208 620 HA ILE 74 HA ILE 74 -4.306 1.190 -0.494 621 HB ILE 74 HB ILE 74 -3.012 -0.952 1.250 622 HG12 ILE 74 2HG1 ILE 74 -3.484 2.014 1.805 623 HG13 ILE 74 3HG1 ILE 74 -4.445 0.699 2.470 624 HG21 ILE 74 1HG2 ILE 74 -0.934 0.393 1.121 625 HG22 ILE 74 2HG2 ILE 74 -1.706 1.469 -0.042 626 HG23 ILE 74 3HG2 ILE 74 -1.411 -0.219 -0.461 627 HD11 ILE 74 3HD1 ILE 74 -2.473 -0.116 3.679 628 HD12 ILE 74 1HD1 ILE 74 -2.895 1.542 4.105 629 HD13 ILE 74 2HD1 ILE 74 -1.529 1.231 3.035 630 H GLU 75 H GLU 75 -4.364 -2.392 -0.605 631 HA GLU 75 HA GLU 75 -2.364 -2.655 -2.612 632 HB2 GLU 75 2HB GLU 75 -4.354 -4.654 -1.501 633 HB3 GLU 75 3HB GLU 75 -3.133 -5.081 -2.699 634 HG2 GLU 75 2HG GLU 75 -1.348 -4.394 -1.121 635 HG3 GLU 75 3HG GLU 75 -2.575 -3.990 0.080 636 H GLU 76 H GLU 76 -5.939 -2.778 -2.762 637 HA GLU 76 HA GLU 76 -6.119 -3.421 -5.525 638 HB2 GLU 76 2HB GLU 76 -8.118 -1.805 -3.877 639 HB3 GLU 76 3HB GLU 76 -8.436 -2.554 -5.439 640 HG2 GLU 76 2HG GLU 76 -7.976 -3.908 -2.780 641 HG3 GLU 76 3HG GLU 76 -9.436 -3.918 -3.761 642 H ARG 77 H ARG 77 -5.710 -0.412 -3.759 643 HA ARG 77 HA ARG 77 -6.169 1.330 -5.983 644 HB2 ARG 77 2HB ARG 77 -5.258 1.728 -3.132 645 HB3 ARG 77 3HB ARG 77 -5.121 3.053 -4.279 646 HG2 ARG 77 2HG ARG 77 -7.706 1.624 -3.579 647 HG3 ARG 77 3HG ARG 77 -7.189 3.181 -2.922 648 HD2 ARG 77 2HD ARG 77 -7.205 4.139 -5.210 649 HD3 ARG 77 3HD ARG 77 -7.736 2.580 -5.854 650 HE ARG 77 HE ARG 77 -9.435 3.674 -3.791 651 HH11 ARG 77 1HH1 ARG 77 -8.852 3.597 -7.271 652 HH12 ARG 77 2HH1 ARG 77 -10.481 4.043 -7.664 653 HH21 ARG 77 1HH2 ARG 77 -11.542 4.256 -4.315 654 HH22 ARG 77 2HH2 ARG 77 -12.013 4.419 -5.976 655 H ILE 78 H ILE 78 -3.164 0.143 -4.354 656 HA ILE 78 HA ILE 78 -1.439 1.820 -5.886 657 HB ILE 78 HB ILE 78 0.454 0.382 -5.163 658 HG12 ILE 78 2HG1 ILE 78 -1.658 -1.371 -3.827 659 HG13 ILE 78 3HG1 ILE 78 -0.661 -1.834 -5.198 660 HG21 ILE 78 1HG2 ILE 78 -1.427 1.075 -2.878 661 HG22 ILE 78 2HG2 ILE 78 -0.327 2.189 -3.691 662 HG23 ILE 78 3HG2 ILE 78 0.322 0.846 -2.754 663 HD11 ILE 78 3HD1 ILE 78 0.161 -2.853 -3.180 664 HD12 ILE 78 1HD1 ILE 78 0.315 -1.283 -2.390 665 HD13 ILE 78 2HD1 ILE 78 1.339 -1.687 -3.772 666 H GLU 79 H GLU 79 -2.648 -1.492 -6.280 667 HA GLU 79 HA GLU 79 -1.260 -2.229 -8.622 668 HB2 GLU 79 2HB GLU 79 -2.536 -3.774 -7.107 669 HB3 GLU 79 3HB GLU 79 -4.037 -3.076 -7.695 670 HG2 GLU 79 2HG GLU 79 -3.716 -5.183 -8.792 671 HG3 GLU 79 3HG GLU 79 -3.486 -3.908 -9.988 672 H GLU 80 H GLU 80 -4.527 -0.755 -8.216 673 HA GLU 80 HA GLU 80 -5.155 -0.697 -11.003 674 HB2 GLU 80 2HB GLU 80 -6.878 -0.797 -9.221 675 HB3 GLU 80 3HB GLU 80 -6.415 0.807 -8.674 676 HG2 GLU 80 2HG GLU 80 -8.468 0.965 -9.935 677 HG3 GLU 80 3HG GLU 80 -7.180 1.749 -10.845 678 H GLU 81 H GLU 81 -4.299 1.939 -8.721 679 HA GLU 81 HA GLU 81 -4.565 3.997 -10.655 680 HB2 GLU 81 2HB GLU 81 -3.106 4.252 -8.001 681 HB3 GLU 81 3HB GLU 81 -3.804 5.553 -8.959 682 HG2 GLU 81 2HG GLU 81 -5.258 3.441 -7.350 683 HG3 GLU 81 3HG GLU 81 -5.212 5.173 -7.057 684 H LEU 82 H LEU 82 -1.761 2.082 -9.531 685 HA LEU 82 HA LEU 82 0.242 3.736 -10.733 686 HB2 LEU 82 2HB LEU 82 0.350 1.643 -9.036 687 HB3 LEU 82 3HB LEU 82 0.681 0.768 -10.509 688 HG LEU 82 HG LEU 82 2.345 3.003 -9.286 689 HD11 LEU 82 1HD1 LEU 82 4.039 1.282 -8.967 690 HD12 LEU 82 2HD1 LEU 82 2.977 0.066 -9.679 691 HD13 LEU 82 3HD1 LEU 82 2.542 0.839 -8.153 692 HD21 LEU 82 3HD2 LEU 82 3.985 2.634 -11.061 693 HD22 LEU 82 1HD2 LEU 82 2.456 3.203 -11.720 694 HD23 LEU 82 2HD2 LEU 82 2.894 1.497 -11.857 695 H ARG 83 H ARG 83 -1.565 0.858 -11.851 696 HA ARG 83 HA ARG 83 -0.241 0.587 -14.329 697 HB2 ARG 83 2HB ARG 83 -2.924 -0.480 -13.439 698 HB3 ARG 83 3HB ARG 83 -2.163 -0.919 -14.970 699 HG2 ARG 83 2HG ARG 83 -0.271 -1.897 -13.791 700 HG3 ARG 83 3HG ARG 83 -0.938 -1.375 -12.241 701 HD2 ARG 83 2HD ARG 83 -1.466 -3.661 -12.435 702 HD3 ARG 83 3HD ARG 83 -2.962 -2.799 -12.760 703 HE ARG 83 HE ARG 83 -2.472 -3.206 -15.174 704 HH11 ARG 83 1HH1 ARG 83 -1.105 -5.349 -12.729 705 HH12 ARG 83 2HH1 ARG 83 -0.998 -6.703 -13.811 706 HH21 ARG 83 1HH2 ARG 83 -2.357 -5.001 -16.567 707 HH22 ARG 83 2HH2 ARG 83 -1.709 -6.501 -15.990 708 H LYS 84 H LYS 84 -2.594 2.903 -13.452 709 HA LYS 84 HA LYS 84 -3.777 3.480 -15.950 710 HB2 LYS 84 2HB LYS 84 -2.930 5.492 -13.813 711 HB3 LYS 84 3HB LYS 84 -4.113 5.774 -15.087 712 HG2 LYS 84 2HG LYS 84 -4.384 3.854 -12.758 713 HG3 LYS 84 3HG LYS 84 -5.214 5.401 -12.946 714 HD2 LYS 84 2HD LYS 84 -6.387 4.489 -14.963 715 HD3 LYS 84 3HD LYS 84 -5.587 2.935 -14.701 716 HE2 LYS 84 2HE LYS 84 -6.692 2.816 -12.455 717 HE3 LYS 84 3HE LYS 84 -7.567 4.299 -12.851 718 HZ1 LYS 84 3HZ LYS 84 -7.718 1.747 -14.369 719 HZ2 LYS 84 1HZ LYS 84 -8.574 3.163 -14.723 720 HZ3 LYS 84 2HZ LYS 84 -8.886 2.322 -13.292 721 H ARG 85 H ARG 85 -0.629 4.175 -14.591 722 HA ARG 85 HA ARG 85 0.268 5.670 -16.980 723 HB2 ARG 85 2HB ARG 85 1.564 5.481 -14.220 724 HB3 ARG 85 3HB ARG 85 2.051 6.553 -15.531 725 HG2 ARG 85 2HG ARG 85 -0.550 6.682 -13.961 726 HG3 ARG 85 3HG ARG 85 0.811 7.801 -13.838 727 HD2 ARG 85 2HD ARG 85 0.423 8.590 -16.112 728 HD3 ARG 85 3HD ARG 85 -0.828 7.371 -16.364 729 HE ARG 85 HE ARG 85 -1.453 9.056 -14.150 730 HH11 ARG 85 1HH1 ARG 85 -1.472 9.021 -17.686 731 HH12 ARG 85 2HH1 ARG 85 -2.745 10.193 -17.807 732 HH21 ARG 85 1HH2 ARG 85 -3.133 10.587 -14.351 733 HH22 ARG 85 2HH2 ARG 85 -3.679 11.073 -15.927 734 H ASP 86 H ASP 86 0.773 2.712 -15.137 735 HA ASP 86 HA ASP 86 3.154 2.006 -16.766 736 HB2 ASP 86 2HB ASP 86 3.652 2.814 -14.372 737 HB3 ASP 86 3HB ASP 86 2.845 1.362 -13.800 738 HA PRO 87 HA PRO 87 0.134 -1.459 -17.165 739 HB2 PRO 87 2HB PRO 87 0.929 -2.352 -19.614 740 HB3 PRO 87 3HB PRO 87 0.000 -0.848 -19.432 741 HG2 PRO 87 2HG PRO 87 2.973 -1.183 -19.783 742 HG3 PRO 87 3HG PRO 87 1.863 -0.062 -20.612 743 HD2 PRO 87 2HD PRO 87 3.389 0.721 -18.481 744 HD3 PRO 87 3HD PRO 87 1.803 1.429 -18.833 745 H ASN 88 H ASN 88 3.495 -1.503 -16.683 746 HA ASN 88 HA ASN 88 3.737 -4.436 -16.631 747 HB2 ASN 88 2HB ASN 88 5.835 -2.286 -16.108 748 HB3 ASN 88 3HB ASN 88 6.145 -4.017 -16.091 749 HD21 ASN 88 1HD2 ASN 88 7.582 -4.102 -17.767 750 HD22 ASN 88 2HD2 ASN 88 7.202 -3.672 -19.395 751 H ALA 89 H ALA 89 2.763 -1.971 -14.573 752 HA ALA 89 HA ALA 89 3.948 -2.679 -12.117 753 HB1 ALA 89 3HB ALA 89 2.877 -0.512 -12.471 754 HB2 ALA 89 1HB ALA 89 2.178 -1.330 -11.071 755 HB3 ALA 89 2HB ALA 89 1.302 -1.291 -12.603 756 H THR 90 H THR 90 3.768 -4.502 -11.101 757 HA THR 90 HA THR 90 1.233 -5.870 -10.612 758 HB THR 90 HB THR 90 3.760 -7.249 -11.659 759 HG1 THR 90 HG1 THR 90 1.586 -6.295 -12.912 760 HG21 THR 90 3HG2 THR 90 1.176 -8.523 -10.685 761 HG22 THR 90 1HG2 THR 90 2.751 -8.635 -9.889 762 HG23 THR 90 2HG2 THR 90 2.504 -9.375 -11.472 763 H ILE 91 H ILE 91 1.120 -6.211 -8.438 764 HA ILE 91 HA ILE 91 3.564 -5.796 -6.826 765 HB ILE 91 HB ILE 91 2.159 -5.222 -4.982 766 HG12 ILE 91 2HG1 ILE 91 -0.226 -6.259 -6.586 767 HG13 ILE 91 3HG1 ILE 91 0.423 -6.950 -5.106 768 HG21 ILE 91 1HG2 ILE 91 0.889 -3.302 -5.846 769 HG22 ILE 91 2HG2 ILE 91 0.927 -3.986 -7.474 770 HG23 ILE 91 3HG2 ILE 91 2.426 -3.471 -6.695 771 HD11 ILE 91 3HD1 ILE 91 -1.612 -5.755 -4.660 772 HD12 ILE 91 1HD1 ILE 91 -0.955 -4.283 -5.373 773 HD13 ILE 91 2HD1 ILE 91 -0.257 -4.934 -3.885 774 H THR 92 H THR 92 4.276 -7.305 -5.314 775 HA THR 92 HA THR 92 3.170 -10.034 -5.469 776 HB THR 92 HB THR 92 5.967 -9.148 -4.618 777 HG1 THR 92 HG1 THR 92 5.146 -10.421 -7.030 778 HG21 THR 92 3HG2 THR 92 6.564 -11.532 -4.800 779 HG22 THR 92 1HG2 THR 92 4.897 -11.934 -5.200 780 HG23 THR 92 2HG2 THR 92 5.292 -11.313 -3.593 781 H ARG 93 H ARG 93 1.758 -10.212 -3.831 782 HA ARG 93 HA ARG 93 2.005 -8.928 -1.276 783 HB2 ARG 93 2HB ARG 93 -0.184 -9.307 -2.269 784 HB3 ARG 93 3HB ARG 93 0.092 -11.043 -2.342 785 HG2 ARG 93 2HG ARG 93 0.059 -11.163 0.127 786 HG3 ARG 93 3HG ARG 93 -0.172 -9.414 0.218 787 HD2 ARG 93 2HD ARG 93 -2.103 -11.355 -1.104 788 HD3 ARG 93 3HD ARG 93 -2.289 -10.690 0.522 789 HE ARG 93 HE ARG 93 -2.633 -8.541 -0.413 790 HH11 ARG 93 1HH1 ARG 93 -2.534 -11.043 -2.898 791 HH12 ARG 93 2HH1 ARG 93 -3.331 -10.065 -4.084 792 HH21 ARG 93 1HH2 ARG 93 -3.649 -7.265 -1.978 793 HH22 ARG 93 2HH2 ARG 93 -3.970 -7.905 -3.561 794 H THR 94 H THR 94 3.459 -9.614 0.138 795 HA THR 94 HA THR 94 3.650 -12.484 0.835 796 HB THR 94 HB THR 94 5.948 -10.473 0.935 797 HG1 THR 94 HG1 THR 94 5.437 -10.933 -1.225 798 HG21 THR 94 3HG2 THR 94 7.380 -12.454 1.286 799 HG22 THR 94 1HG2 THR 94 5.960 -13.502 1.263 800 HG23 THR 94 2HG2 THR 94 6.172 -12.329 2.566 801 H VAL 95 H VAL 95 2.702 -12.649 2.839 802 HA VAL 95 HA VAL 95 2.301 -10.337 4.508 803 HB VAL 95 HB VAL 95 0.583 -12.063 4.485 804 HG11 VAL 95 1HG1 VAL 95 1.952 -14.055 4.054 805 HG12 VAL 95 2HG1 VAL 95 0.884 -14.317 5.434 806 HG13 VAL 95 3HG1 VAL 95 2.597 -13.982 5.696 807 HG21 VAL 95 3HG2 VAL 95 0.768 -10.739 6.530 808 HG22 VAL 95 1HG2 VAL 95 1.884 -11.921 7.221 809 HG23 VAL 95 2HG2 VAL 95 0.204 -12.368 6.904 810 H ARG 96 H ARG 96 3.635 -9.563 6.007 811 HA ARG 96 HA ARG 96 6.198 -10.869 6.470 812 HB2 ARG 96 2HB ARG 96 6.056 -8.435 5.834 813 HB3 ARG 96 3HB ARG 96 5.241 -8.112 7.356 814 HG2 ARG 96 2HG ARG 96 7.509 -7.461 7.655 815 HG3 ARG 96 3HG ARG 96 7.310 -8.967 8.550 816 HD2 ARG 96 2HD ARG 96 8.558 -8.716 5.782 817 HD3 ARG 96 3HD ARG 96 9.458 -8.857 7.289 818 HE ARG 96 HE ARG 96 8.203 -11.080 7.513 819 HH11 ARG 96 1HH1 ARG 96 9.242 -9.760 4.392 820 HH12 ARG 96 2HH1 ARG 96 9.366 -11.323 3.656 821 HH21 ARG 96 1HH2 ARG 96 8.279 -13.092 6.472 822 HH22 ARG 96 2HH2 ARG 96 8.820 -13.206 4.830 823 H THR 97 H THR 97 3.663 -9.349 8.452 824 HA THR 97 HA THR 97 4.383 -10.902 10.826 825 HB THR 97 HB THR 97 2.221 -8.788 10.429 826 HG1 THR 97 HG1 THR 97 4.942 -8.599 10.778 827 HG21 THR 97 3HG2 THR 97 3.433 -9.899 12.993 828 HG22 THR 97 1HG2 THR 97 1.799 -10.224 12.402 829 HG23 THR 97 2HG2 THR 97 2.250 -8.593 12.896 830 H GLU 98 H GLU 98 3.676 -12.977 10.509 831 HA GLU 98 HA GLU 98 1.068 -13.550 9.304 832 HB2 GLU 98 2HB GLU 98 1.978 -16.038 9.964 833 HB3 GLU 98 3HB GLU 98 2.399 -15.223 8.471 834 HG2 GLU 98 2HG GLU 98 4.341 -16.326 9.528 835 HG3 GLU 98 3HG GLU 98 4.575 -14.589 9.347 836 H VAL 99 H VAL 99 -0.249 -12.619 10.907 837 HA VAL 99 HA VAL 99 -0.026 -12.996 13.679 838 HB VAL 99 HB VAL 99 -2.397 -12.136 13.814 839 HG11 VAL 99 1HG1 VAL 99 -1.906 -9.882 12.920 840 HG12 VAL 99 2HG1 VAL 99 -0.565 -10.541 11.979 841 HG13 VAL 99 3HG1 VAL 99 -0.499 -10.563 13.742 842 HG21 VAL 99 3HG2 VAL 99 -3.534 -11.390 11.734 843 HG22 VAL 99 1HG2 VAL 99 -3.331 -13.142 11.779 844 HG23 VAL 99 2HG2 VAL 99 -2.267 -12.157 10.777 845 H GLY 100 H GLY 100 -0.301 -14.724 14.854 846 HA2 GLY 100 2HA GLY 100 -2.327 -16.796 14.190 847 HA3 GLY 100 3HA GLY 100 -0.696 -17.199 14.722 848 H SER 101 H SER 101 -3.473 -15.238 15.677 849 HA SER 101 HA SER 101 -2.960 -15.836 18.532 850 HB2 SER 101 2HB SER 101 -2.739 -13.415 17.985 851 HB3 SER 101 3HB SER 101 -4.368 -13.414 17.309 852 HG SER 101 HG SER 101 -4.423 -12.658 19.429 853 H SER 102 H SER 102 -4.726 -16.436 19.809 854 HA SER 102 HA SER 102 -7.417 -16.627 18.780 855 HB2 SER 102 2HB SER 102 -7.576 -19.127 19.164 856 HB3 SER 102 3HB SER 102 -6.534 -18.698 17.809 857 HG SER 102 HG SER 102 -4.835 -19.399 18.863 858 H TRP 103 H TRP 103 -8.942 -17.221 20.438 859 HA TRP 103 HA TRP 103 -8.067 -17.473 23.211 860 HB2 TRP 103 2HB TRP 103 -9.417 -15.510 23.971 861 HB3 TRP 103 3HB TRP 103 -8.074 -15.037 22.951 862 HD1 TRP 103 HD1 TRP 103 -8.844 -14.565 20.227 863 HE1 TRP 103 HE1 TRP 103 -10.881 -13.228 19.419 864 HE3 TRP 103 HE3 TRP 103 -11.726 -14.820 24.457 865 HZ2 TRP 103 HZ2 TRP 103 -13.363 -12.371 20.425 866 HZ3 TRP 103 HZ3 TRP 103 -13.917 -13.691 24.455 867 HH2 TRP 103 HH2 TRP 103 -14.720 -12.492 22.478 868 H SER 104 H SER 104 -9.766 -18.215 24.583 869 HA SER 104 HA SER 104 -11.815 -19.748 23.240 870 HB2 SER 104 2HB SER 104 -10.550 -20.650 25.183 871 HB3 SER 104 3HB SER 104 -11.257 -19.423 26.225 872 HG SER 104 HG SER 104 -13.284 -20.338 25.846 873 H LEU 105 H LEU 105 -13.877 -19.098 22.896 874 HA LEU 105 HA LEU 105 -14.903 -16.658 24.197 875 HB2 LEU 105 2HB LEU 105 -15.956 -18.065 21.706 876 HB3 LEU 105 3HB LEU 105 -16.564 -16.565 22.384 877 HG LEU 105 HG LEU 105 -14.159 -15.633 21.917 878 HD11 LEU 105 1HD1 LEU 105 -12.962 -16.616 20.045 879 HD12 LEU 105 2HD1 LEU 105 -14.114 -17.955 19.989 880 HD13 LEU 105 3HD1 LEU 105 -13.065 -17.746 21.393 881 HD21 LEU 105 3HD2 LEU 105 -16.021 -16.208 19.597 882 HD22 LEU 105 1HD2 LEU 105 -14.778 -14.951 19.653 883 HD23 LEU 105 2HD2 LEU 105 -16.168 -14.867 20.736 884 H GLU 106 H GLU 106 -17.123 -16.626 24.889 885 HA GLU 106 HA GLU 106 -18.648 -19.053 25.246 886 HB2 GLU 106 2HB GLU 106 -18.649 -19.083 27.702 887 HB3 GLU 106 3HB GLU 106 -17.011 -19.305 27.097 888 HG2 GLU 106 2HG GLU 106 -16.480 -16.949 27.595 889 HG3 GLU 106 3HG GLU 106 -18.127 -16.690 28.171 890 H HIS 107 H HIS 107 -20.766 -18.600 26.143 891 HA HIS 107 HA HIS 107 -21.516 -15.782 26.533 892 HB2 HIS 107 2HB HIS 107 -23.152 -17.634 24.726 893 HB3 HIS 107 3HB HIS 107 -23.436 -15.921 25.035 894 HD1 HIS 107 HD1 HIS 107 -21.679 -14.240 23.922 895 HD2 HIS 107 HD2 HIS 107 -21.424 -18.190 22.671 896 HE1 HIS 107 HE1 HIS 107 -20.244 -14.211 21.865 897 HE2 HIS 107 HE2 HIS 107 -19.896 -16.650 21.326 898 H HIS 108 H HIS 108 -21.539 -16.513 28.767 899 HA HIS 108 HA HIS 108 -23.668 -18.333 29.562 900 HB2 HIS 108 2HB HIS 108 -23.024 -17.736 31.910 901 HB3 HIS 108 3HB HIS 108 -21.710 -18.397 30.958 902 HD1 HIS 108 HD1 HIS 108 -19.612 -17.053 30.811 903 HD2 HIS 108 HD2 HIS 108 -22.731 -14.882 32.478 904 HE1 HIS 108 HE1 HIS 108 -18.568 -14.986 31.752 905 HE2 HIS 108 HE2 HIS 108 -20.442 -13.795 32.930 906 H HIS 109 H HIS 109 -25.696 -17.779 29.996 907 HA HIS 109 HA HIS 109 -26.472 -14.922 29.887 908 HB2 HIS 109 2HB HIS 109 -27.345 -16.256 28.030 909 HB3 HIS 109 3HB HIS 109 -28.004 -17.450 29.138 910 HD1 HIS 109 HD1 HIS 109 -28.656 -14.016 27.748 911 HD2 HIS 109 HD2 HIS 109 -30.492 -16.775 30.251 912 HE1 HIS 109 HE1 HIS 109 -31.037 -13.243 27.989 913 HE2 HIS 109 HE2 HIS 109 -32.157 -15.035 29.359 914 H HIS 110 H HIS 110 -26.723 -14.179 31.922 915 HA HIS 110 HA HIS 110 -27.667 -15.658 34.164 916 HB2 HIS 110 2HB HIS 110 -27.512 -12.655 33.675 917 HB3 HIS 110 3HB HIS 110 -28.039 -13.352 35.200 918 HD1 HIS 110 HD1 HIS 110 -25.031 -12.523 33.235 919 HD2 HIS 110 HD2 HIS 110 -25.940 -14.637 36.694 920 HE1 HIS 110 HE1 HIS 110 -22.844 -12.865 34.412 921 HE2 HIS 110 HE2 HIS 110 -23.406 -14.234 36.444 922 H HIS 111 H HIS 111 -29.679 -15.513 35.221 923 HA HIS 111 HA HIS 111 -32.027 -14.320 34.145 924 HB2 HIS 111 2HB HIS 111 -33.227 -16.463 33.531 925 HB3 HIS 111 3HB HIS 111 -31.902 -16.073 32.440 926 HD1 HIS 111 HD1 HIS 111 -29.766 -17.574 32.580 927 HD2 HIS 111 HD2 HIS 111 -32.927 -18.889 34.918 928 HE1 HIS 111 HE1 HIS 111 -29.168 -19.906 33.255 929 HE2 HIS 111 HE2 HIS 111 -30.999 -20.592 34.839 930 H HIS 112 H HIS 112 -33.740 -14.446 35.615 931 HA HIS 112 HA HIS 112 -33.211 -15.680 38.227 932 HB2 HIS 112 2HB HIS 112 -33.995 -13.374 38.319 933 HB3 HIS 112 3HB HIS 112 -35.377 -13.743 37.290 934 HD1 HIS 112 HD1 HIS 112 -37.486 -14.296 38.474 935 HD2 HIS 112 HD2 HIS 112 -34.183 -14.778 40.946 936 HE1 HIS 112 HE1 HIS 112 -38.413 -14.862 40.735 937 HE2 HIS 112 HE2 HIS 112 -36.393 -15.356 42.146 Start of MODEL 3 1 H1 MET 1 1H MET 1 -4.478 -4.084 22.109 2 H2 MET 1 2H MET 1 -2.798 -4.221 21.960 3 H3 MET 1 3H MET 1 -3.792 -5.526 21.549 4 HA MET 1 HA MET 1 -4.743 -4.323 19.731 5 HB2 MET 1 2HB MET 1 -4.475 -2.068 20.831 6 HB3 MET 1 3HB MET 1 -2.758 -2.112 20.467 7 HG2 MET 1 2HG MET 1 -3.241 -2.057 18.074 8 HG3 MET 1 3HG MET 1 -4.974 -2.134 18.404 9 HE1 MET 1 3HE MET 1 -5.597 0.029 17.043 10 HE2 MET 1 1HE MET 1 -3.919 0.131 16.506 11 HE3 MET 1 2HE MET 1 -4.717 1.554 17.174 12 H LEU 2 H LEU 2 -3.877 -4.916 17.742 13 HA LEU 2 HA LEU 2 -1.138 -6.004 17.840 14 HB2 LEU 2 2HB LEU 2 -1.811 -7.464 15.940 15 HB3 LEU 2 3HB LEU 2 -2.697 -7.740 17.421 16 HG LEU 2 HG LEU 2 -4.610 -6.365 16.383 17 HD11 LEU 2 1HD1 LEU 2 -4.786 -6.272 13.940 18 HD12 LEU 2 2HD1 LEU 2 -3.123 -6.845 13.782 19 HD13 LEU 2 3HD1 LEU 2 -3.456 -5.279 14.526 20 HD21 LEU 2 3HD2 LEU 2 -5.525 -8.286 15.198 21 HD22 LEU 2 1HD2 LEU 2 -4.697 -8.799 16.664 22 HD23 LEU 2 2HD2 LEU 2 -3.924 -9.021 15.091 23 H THR 3 H THR 3 0.183 -5.896 15.939 24 HA THR 3 HA THR 3 -0.485 -3.772 13.997 25 HB THR 3 HB THR 3 2.346 -4.326 15.028 26 HG1 THR 3 HG1 THR 3 0.663 -3.286 16.532 27 HG21 THR 3 3HG2 THR 3 2.875 -2.166 13.983 28 HG22 THR 3 1HG2 THR 3 1.202 -1.997 13.437 29 HG23 THR 3 2HG2 THR 3 2.224 -3.279 12.784 30 H VAL 4 H VAL 4 -0.250 -4.398 11.879 31 HA VAL 4 HA VAL 4 1.069 -6.985 11.310 32 HB VAL 4 HB VAL 4 -1.329 -7.317 11.146 33 HG11 VAL 4 1HG1 VAL 4 -2.763 -6.088 9.562 34 HG12 VAL 4 2HG1 VAL 4 -1.412 -5.029 9.151 35 HG13 VAL 4 3HG1 VAL 4 -2.078 -5.014 10.784 36 HG21 VAL 4 3HG2 VAL 4 -0.075 -7.179 8.371 37 HG22 VAL 4 1HG2 VAL 4 -1.516 -8.104 8.797 38 HG23 VAL 4 2HG2 VAL 4 0.040 -8.527 9.504 39 H GLU 5 H GLU 5 2.804 -6.717 10.099 40 HA GLU 5 HA GLU 5 2.999 -4.551 8.136 41 HB2 GLU 5 2HB GLU 5 5.023 -6.654 9.026 42 HB3 GLU 5 3HB GLU 5 5.325 -5.475 7.758 43 HG2 GLU 5 2HG GLU 5 5.064 -3.653 9.389 44 HG3 GLU 5 3HG GLU 5 4.765 -4.831 10.658 45 H VAL 6 H VAL 6 2.660 -4.870 6.047 46 HA VAL 6 HA VAL 6 2.820 -7.594 4.920 47 HB VAL 6 HB VAL 6 0.471 -6.846 4.925 48 HG11 VAL 6 1HG1 VAL 6 -0.293 -4.931 3.576 49 HG12 VAL 6 2HG1 VAL 6 1.382 -4.490 3.246 50 HG13 VAL 6 3HG1 VAL 6 0.761 -4.423 4.896 51 HG21 VAL 6 3HG2 VAL 6 1.683 -6.881 2.138 52 HG22 VAL 6 1HG2 VAL 6 -0.009 -7.191 2.531 53 HG23 VAL 6 2HG2 VAL 6 1.242 -8.293 3.103 54 H GLU 7 H GLU 7 4.457 -7.775 3.629 55 HA GLU 7 HA GLU 7 5.895 -5.500 2.498 56 HB2 GLU 7 2HB GLU 7 7.086 -7.334 3.704 57 HB3 GLU 7 3HB GLU 7 6.464 -8.508 2.550 58 HG2 GLU 7 2HG GLU 7 7.724 -7.269 0.753 59 HG3 GLU 7 3HG GLU 7 8.456 -6.285 2.021 60 H VAL 8 H VAL 8 4.911 -4.799 0.637 61 HA VAL 8 HA VAL 8 3.894 -6.750 -1.335 62 HB VAL 8 HB VAL 8 3.378 -3.735 -1.152 63 HG11 VAL 8 1HG1 VAL 8 3.179 -4.578 -3.442 64 HG12 VAL 8 2HG1 VAL 8 1.598 -4.128 -2.811 65 HG13 VAL 8 3HG1 VAL 8 2.049 -5.833 -2.919 66 HG21 VAL 8 3HG2 VAL 8 1.520 -6.005 -0.306 67 HG22 VAL 8 1HG2 VAL 8 1.119 -4.286 -0.327 68 HG23 VAL 8 2HG2 VAL 8 2.358 -4.886 0.773 69 H LYS 9 H LYS 9 5.577 -7.252 -2.636 70 HA LYS 9 HA LYS 9 7.559 -5.289 -3.473 71 HB2 LYS 9 2HB LYS 9 7.293 -8.279 -3.595 72 HB3 LYS 9 3HB LYS 9 8.220 -7.533 -4.892 73 HG2 LYS 9 2HG LYS 9 9.778 -6.551 -3.330 74 HG3 LYS 9 3HG LYS 9 8.802 -7.067 -1.945 75 HD2 LYS 9 2HD LYS 9 9.288 -9.420 -2.424 76 HD3 LYS 9 3HD LYS 9 10.142 -8.981 -3.905 77 HE2 LYS 9 2HE LYS 9 11.013 -8.151 -1.110 78 HE3 LYS 9 3HE LYS 9 11.667 -9.526 -1.999 79 HZ1 LYS 9 3HZ LYS 9 13.107 -7.656 -2.254 80 HZ2 LYS 9 1HZ LYS 9 11.839 -6.675 -2.783 81 HZ3 LYS 9 2HZ LYS 9 12.366 -7.959 -3.744 82 H ILE 10 H ILE 10 6.900 -3.934 -4.919 83 HA ILE 10 HA ILE 10 4.958 -4.567 -7.009 84 HB ILE 10 HB ILE 10 6.198 -1.878 -6.215 85 HG12 ILE 10 2HG1 ILE 10 3.510 -3.052 -5.326 86 HG13 ILE 10 3HG1 ILE 10 4.926 -2.858 -4.301 87 HG21 ILE 10 1HG2 ILE 10 4.297 -0.894 -7.454 88 HG22 ILE 10 2HG2 ILE 10 3.750 -2.506 -7.912 89 HG23 ILE 10 3HG2 ILE 10 5.300 -1.898 -8.498 90 HD11 ILE 10 3HD1 ILE 10 3.292 -1.135 -3.867 91 HD12 ILE 10 1HD1 ILE 10 3.324 -0.636 -5.558 92 HD13 ILE 10 2HD1 ILE 10 4.756 -0.422 -4.547 93 H THR 11 H THR 11 6.039 -5.507 -8.668 94 HA THR 11 HA THR 11 8.577 -4.394 -9.650 95 HB THR 11 HB THR 11 8.590 -6.794 -9.574 96 HG1 THR 11 HG1 THR 11 8.134 -6.259 -12.316 97 HG21 THR 11 3HG2 THR 11 6.164 -7.294 -9.614 98 HG22 THR 11 1HG2 THR 11 7.046 -8.253 -10.805 99 HG23 THR 11 2HG2 THR 11 6.106 -6.854 -11.322 100 H ALA 12 H ALA 12 8.406 -2.665 -10.921 101 HA ALA 12 HA ALA 12 6.194 -2.443 -12.897 102 HB1 ALA 12 3HB ALA 12 5.821 -0.856 -11.036 103 HB2 ALA 12 1HB ALA 12 6.196 0.007 -12.530 104 HB3 ALA 12 2HB ALA 12 7.427 -0.173 -11.279 105 H ASP 13 H ASP 13 6.904 -0.558 -14.534 106 HA ASP 13 HA ASP 13 9.368 -1.478 -15.776 107 HB2 ASP 13 2HB ASP 13 7.343 0.604 -16.679 108 HB3 ASP 13 3HB ASP 13 8.689 0.012 -17.655 109 H ASP 14 H ASP 14 8.309 1.322 -13.923 110 HA ASP 14 HA ASP 14 11.160 2.046 -13.674 111 HB2 ASP 14 2HB ASP 14 9.970 3.699 -15.225 112 HB3 ASP 14 3HB ASP 14 8.991 4.187 -13.851 113 H GLU 15 H GLU 15 11.706 1.878 -11.602 114 HA GLU 15 HA GLU 15 9.792 1.314 -9.578 115 HB2 GLU 15 2HB GLU 15 11.702 0.985 -8.106 116 HB3 GLU 15 3HB GLU 15 12.002 0.244 -9.674 117 HG2 GLU 15 2HG GLU 15 13.344 2.291 -10.300 118 HG3 GLU 15 3HG GLU 15 13.163 2.851 -8.639 119 H ASN 16 H ASN 16 11.528 4.274 -10.404 120 HA ASN 16 HA ASN 16 10.938 5.535 -7.838 121 HB2 ASN 16 2HB ASN 16 12.363 6.446 -10.342 122 HB3 ASN 16 3HB ASN 16 11.893 7.621 -9.118 123 HD21 ASN 16 1HD2 ASN 16 12.950 7.628 -7.132 124 HD22 ASN 16 2HD2 ASN 16 14.380 6.710 -6.823 125 H LYS 17 H LYS 17 9.647 5.685 -11.143 126 HA LYS 17 HA LYS 17 7.647 7.654 -10.592 127 HB2 LYS 17 2HB LYS 17 7.652 5.434 -12.678 128 HB3 LYS 17 3HB LYS 17 6.528 6.786 -12.641 129 HG2 LYS 17 2HG LYS 17 9.514 6.924 -13.136 130 HG3 LYS 17 3HG LYS 17 8.228 7.153 -14.325 131 HD2 LYS 17 2HD LYS 17 7.480 9.185 -13.143 132 HD3 LYS 17 3HD LYS 17 8.730 8.945 -11.919 133 HE2 LYS 17 2HE LYS 17 9.191 9.521 -14.864 134 HE3 LYS 17 3HE LYS 17 9.451 10.636 -13.521 135 HZ1 LYS 17 3HZ LYS 17 11.511 9.608 -14.289 136 HZ2 LYS 17 1HZ LYS 17 10.902 8.076 -13.911 137 HZ3 LYS 17 2HZ LYS 17 11.178 9.201 -12.681 138 H ALA 18 H ALA 18 7.798 4.127 -10.445 139 HA ALA 18 HA ALA 18 5.190 3.491 -9.710 140 HB1 ALA 18 3HB ALA 18 6.132 1.430 -8.739 141 HB2 ALA 18 1HB ALA 18 7.747 2.126 -8.806 142 HB3 ALA 18 2HB ALA 18 6.864 1.799 -10.300 143 H GLU 19 H GLU 19 7.974 4.305 -7.683 144 HA GLU 19 HA GLU 19 6.801 4.138 -5.156 145 HB2 GLU 19 2HB GLU 19 9.200 4.241 -5.365 146 HB3 GLU 19 3HB GLU 19 9.138 5.804 -6.179 147 HG2 GLU 19 2HG GLU 19 8.330 6.865 -4.146 148 HG3 GLU 19 3HG GLU 19 8.283 5.307 -3.318 149 H GLU 20 H GLU 20 7.233 6.970 -7.294 150 HA GLU 20 HA GLU 20 6.139 8.927 -5.636 151 HB2 GLU 20 2HB GLU 20 6.318 8.768 -8.655 152 HB3 GLU 20 3HB GLU 20 5.699 10.192 -7.829 153 HG2 GLU 20 2HG GLU 20 8.482 9.041 -7.545 154 HG3 GLU 20 3HG GLU 20 8.031 10.490 -8.442 155 H ILE 21 H ILE 21 4.509 6.926 -8.080 156 HA ILE 21 HA ILE 21 1.928 8.046 -7.900 157 HB ILE 21 HB ILE 21 2.775 5.216 -8.678 158 HG12 ILE 21 2HG1 ILE 21 1.985 7.558 -10.482 159 HG13 ILE 21 3HG1 ILE 21 3.649 7.106 -10.125 160 HG21 ILE 21 1HG2 ILE 21 0.057 6.533 -9.084 161 HG22 ILE 21 2HG2 ILE 21 0.411 5.175 -8.016 162 HG23 ILE 21 3HG2 ILE 21 0.551 4.975 -9.758 163 HD11 ILE 21 3HD1 ILE 21 2.971 6.282 -12.293 164 HD12 ILE 21 1HD1 ILE 21 1.622 5.403 -11.572 165 HD13 ILE 21 2HD1 ILE 21 3.284 4.933 -11.200 166 H VAL 22 H VAL 22 3.408 5.236 -6.240 167 HA VAL 22 HA VAL 22 1.118 4.490 -4.735 168 HB VAL 22 HB VAL 22 4.068 3.874 -4.291 169 HG11 VAL 22 1HG1 VAL 22 1.697 2.598 -2.862 170 HG12 VAL 22 2HG1 VAL 22 2.928 3.626 -2.129 171 HG13 VAL 22 3HG1 VAL 22 3.376 2.048 -2.770 172 HG21 VAL 22 3HG2 VAL 22 3.521 1.675 -5.237 173 HG22 VAL 22 1HG2 VAL 22 3.119 2.965 -6.372 174 HG23 VAL 22 2HG2 VAL 22 1.839 2.163 -5.458 175 H LYS 23 H LYS 23 3.733 6.803 -4.087 176 HA LYS 23 HA LYS 23 3.211 7.191 -1.312 177 HB2 LYS 23 2HB LYS 23 4.575 8.977 -3.369 178 HB3 LYS 23 3HB LYS 23 4.476 9.386 -1.658 179 HG2 LYS 23 2HG LYS 23 5.760 7.358 -1.082 180 HG3 LYS 23 3HG LYS 23 5.829 6.913 -2.788 181 HD2 LYS 23 2HD LYS 23 7.944 7.910 -2.197 182 HD3 LYS 23 3HD LYS 23 7.088 9.042 -3.244 183 HE2 LYS 23 2HE LYS 23 6.422 10.365 -1.272 184 HE3 LYS 23 3HE LYS 23 7.250 9.217 -0.212 185 HZ1 LYS 23 3HZ LYS 23 8.652 11.098 -0.582 186 HZ2 LYS 23 1HZ LYS 23 8.500 10.965 -2.260 187 HZ3 LYS 23 2HZ LYS 23 9.327 9.776 -1.391 188 H ARG 24 H ARG 24 2.087 8.892 -4.241 189 HA ARG 24 HA ARG 24 0.356 10.764 -2.974 190 HB2 ARG 24 2HB ARG 24 0.947 11.083 -5.309 191 HB3 ARG 24 3HB ARG 24 0.282 9.513 -5.757 192 HG2 ARG 24 2HG ARG 24 -1.992 10.328 -5.176 193 HG3 ARG 24 3HG ARG 24 -1.320 11.908 -4.785 194 HD2 ARG 24 2HD ARG 24 -0.736 12.300 -7.093 195 HD3 ARG 24 3HD ARG 24 -1.089 10.626 -7.520 196 HE ARG 24 HE ARG 24 -3.334 11.097 -7.590 197 HH11 ARG 24 1HH1 ARG 24 -1.733 13.872 -6.144 198 HH12 ARG 24 2HH1 ARG 24 -3.138 14.879 -6.244 199 HH21 ARG 24 1HH2 ARG 24 -5.143 12.435 -7.760 200 HH22 ARG 24 2HH2 ARG 24 -5.085 14.062 -7.167 201 H VAL 25 H VAL 25 -0.171 7.463 -4.184 202 HA VAL 25 HA VAL 25 -2.941 7.273 -3.783 203 HB VAL 25 HB VAL 25 -0.808 5.094 -3.807 204 HG11 VAL 25 1HG1 VAL 25 -3.827 4.726 -3.878 205 HG12 VAL 25 2HG1 VAL 25 -2.741 4.230 -2.578 206 HG13 VAL 25 3HG1 VAL 25 -2.631 3.454 -4.155 207 HG21 VAL 25 3HG2 VAL 25 -2.783 5.926 -5.971 208 HG22 VAL 25 1HG2 VAL 25 -1.581 4.641 -6.091 209 HG23 VAL 25 2HG2 VAL 25 -1.063 6.317 -5.942 210 H ILE 26 H ILE 26 -0.226 6.399 -1.621 211 HA ILE 26 HA ILE 26 -1.728 5.309 0.502 212 HB ILE 26 HB ILE 26 1.030 6.621 0.512 213 HG12 ILE 26 2HG1 ILE 26 0.250 3.666 0.695 214 HG13 ILE 26 3HG1 ILE 26 0.831 4.467 -0.762 215 HG21 ILE 26 1HG2 ILE 26 0.116 6.825 2.782 216 HG22 ILE 26 2HG2 ILE 26 1.403 5.626 2.757 217 HG23 ILE 26 3HG2 ILE 26 -0.282 5.105 2.811 218 HD11 ILE 26 3HD1 ILE 26 2.594 3.209 0.257 219 HD12 ILE 26 1HD1 ILE 26 2.378 4.047 1.791 220 HD13 ILE 26 2HD1 ILE 26 2.968 4.925 0.376 221 H ASP 27 H ASP 27 -0.603 8.624 -0.183 222 HA ASP 27 HA ASP 27 -1.474 9.954 2.115 223 HB2 ASP 27 2HB ASP 27 -0.168 11.105 0.415 224 HB3 ASP 27 3HB ASP 27 -1.445 10.904 -0.782 225 H GLU 28 H GLU 28 -3.309 9.070 -0.782 226 HA GLU 28 HA GLU 28 -5.716 10.434 -0.044 227 HB2 GLU 28 2HB GLU 28 -5.165 8.333 -2.178 228 HB3 GLU 28 3HB GLU 28 -6.670 9.243 -2.039 229 HG2 GLU 28 2HG GLU 28 -5.431 11.356 -2.402 230 HG3 GLU 28 3HG GLU 28 -3.926 10.454 -2.530 231 H VAL 29 H VAL 29 -4.703 6.992 0.069 232 HA VAL 29 HA VAL 29 -7.153 5.996 1.132 233 HB VAL 29 HB VAL 29 -4.380 4.751 1.425 234 HG11 VAL 29 1HG1 VAL 29 -6.015 3.710 2.914 235 HG12 VAL 29 2HG1 VAL 29 -5.616 2.601 1.606 236 HG13 VAL 29 3HG1 VAL 29 -7.146 3.479 1.579 237 HG21 VAL 29 3HG2 VAL 29 -4.864 5.197 -0.957 238 HG22 VAL 29 1HG2 VAL 29 -6.385 4.310 -0.829 239 HG23 VAL 29 2HG2 VAL 29 -4.846 3.471 -0.616 240 H GLU 30 H GLU 30 -4.236 7.309 2.573 241 HA GLU 30 HA GLU 30 -4.378 6.432 5.218 242 HB2 GLU 30 2HB GLU 30 -2.386 7.501 4.279 243 HB3 GLU 30 3HB GLU 30 -3.261 9.005 4.032 244 HG2 GLU 30 2HG GLU 30 -1.783 9.226 5.916 245 HG3 GLU 30 3HG GLU 30 -3.454 9.303 6.463 246 H ARG 31 H ARG 31 -5.479 9.505 3.815 247 HA ARG 31 HA ARG 31 -6.598 10.577 6.187 248 HB2 ARG 31 2HB ARG 31 -7.591 12.295 4.671 249 HB3 ARG 31 3HB ARG 31 -5.875 12.035 4.404 250 HG2 ARG 31 2HG ARG 31 -6.450 10.599 2.428 251 HG3 ARG 31 3HG ARG 31 -8.145 11.020 2.669 252 HD2 ARG 31 2HD ARG 31 -7.216 12.414 0.921 253 HD3 ARG 31 3HD ARG 31 -7.563 13.424 2.324 254 HE ARG 31 HE ARG 31 -4.877 12.551 1.414 255 HH11 ARG 31 1HH1 ARG 31 -6.851 14.813 3.256 256 HH12 ARG 31 2HH1 ARG 31 -5.515 15.862 3.601 257 HH21 ARG 31 1HH2 ARG 31 -3.157 13.948 1.891 258 HH22 ARG 31 2HH2 ARG 31 -3.435 15.378 2.831 259 H GLU 32 H GLU 32 -7.893 8.444 3.743 260 HA GLU 32 HA GLU 32 -10.660 8.689 4.497 261 HB2 GLU 32 2HB GLU 32 -9.191 6.544 2.912 262 HB3 GLU 32 3HB GLU 32 -10.938 6.584 3.137 263 HG2 GLU 32 2HG GLU 32 -11.068 8.723 1.939 264 HG3 GLU 32 3HG GLU 32 -9.313 8.737 1.757 265 H VAL 33 H VAL 33 -8.023 6.424 5.281 266 HA VAL 33 HA VAL 33 -9.609 4.571 6.740 267 HB VAL 33 HB VAL 33 -6.596 5.037 6.680 268 HG11 VAL 33 1HG1 VAL 33 -6.300 2.851 7.805 269 HG12 VAL 33 2HG1 VAL 33 -8.045 2.731 8.050 270 HG13 VAL 33 3HG1 VAL 33 -7.125 4.005 8.851 271 HG21 VAL 33 3HG2 VAL 33 -6.546 2.984 5.314 272 HG22 VAL 33 1HG2 VAL 33 -7.576 4.208 4.572 273 HG23 VAL 33 2HG2 VAL 33 -8.303 2.844 5.424 274 H GLN 34 H GLN 34 -7.932 7.545 7.675 275 HA GLN 34 HA GLN 34 -8.211 7.135 10.511 276 HB2 GLN 34 2HB GLN 34 -7.916 9.749 8.985 277 HB3 GLN 34 3HB GLN 34 -7.666 9.527 10.714 278 HG2 GLN 34 2HG GLN 34 -5.988 8.406 8.455 279 HG3 GLN 34 3HG GLN 34 -5.517 9.620 9.636 280 HE21 GLN 34 1HE2 GLN 34 -5.944 6.222 9.038 281 HE22 GLN 34 2HE2 GLN 34 -5.226 5.655 10.501 282 H LYS 35 H LYS 35 -10.450 8.012 8.065 283 HA LYS 35 HA LYS 35 -12.444 9.130 9.902 284 HB2 LYS 35 2HB LYS 35 -12.713 8.410 6.950 285 HB3 LYS 35 3HB LYS 35 -13.834 9.384 7.896 286 HG2 LYS 35 2HG LYS 35 -12.173 11.163 8.101 287 HG3 LYS 35 3HG LYS 35 -10.975 10.167 7.270 288 HD2 LYS 35 2HD LYS 35 -12.492 10.151 5.247 289 HD3 LYS 35 3HD LYS 35 -13.534 11.306 6.082 290 HE2 LYS 35 2HE LYS 35 -10.633 11.735 5.300 291 HE3 LYS 35 3HE LYS 35 -12.042 12.461 4.526 292 HZ1 LYS 35 3HZ LYS 35 -11.015 14.011 6.020 293 HZ2 LYS 35 1HZ LYS 35 -11.127 12.925 7.308 294 HZ3 LYS 35 2HZ LYS 35 -12.534 13.579 6.626 295 H GLN 36 H GLN 36 -11.740 6.141 8.125 296 HA GLN 36 HA GLN 36 -14.275 4.871 8.689 297 HB2 GLN 36 2HB GLN 36 -11.700 3.643 7.611 298 HB3 GLN 36 3HB GLN 36 -13.300 2.916 7.548 299 HG2 GLN 36 2HG GLN 36 -12.498 5.450 6.091 300 HG3 GLN 36 3HG GLN 36 -12.518 3.838 5.385 301 HE21 GLN 36 1HE2 GLN 36 -14.012 4.347 3.824 302 HE22 GLN 36 2HE2 GLN 36 -15.674 4.677 4.163 303 H TYR 37 H TYR 37 -10.928 4.240 9.620 304 HA TYR 37 HA TYR 37 -11.773 2.967 12.149 305 HB2 TYR 37 2HB TYR 37 -9.164 2.444 10.640 306 HB3 TYR 37 3HB TYR 37 -9.794 1.562 12.028 307 HD1 TYR 37 HD1 TYR 37 -11.675 -0.051 11.726 308 HD2 TYR 37 HD2 TYR 37 -9.945 1.941 8.362 309 HE1 TYR 37 HE1 TYR 37 -12.717 -1.677 10.217 310 HE2 TYR 37 HE2 TYR 37 -10.994 0.303 6.859 311 HH TYR 37 HH TYR 37 -11.840 -2.043 7.004 312 HA PRO 38 HA PRO 38 -9.872 7.140 13.016 313 HB2 PRO 38 2HB PRO 38 -11.122 6.567 15.711 314 HB3 PRO 38 3HB PRO 38 -11.222 8.028 14.699 315 HG2 PRO 38 2HG PRO 38 -13.297 6.403 14.846 316 HG3 PRO 38 3HG PRO 38 -12.834 7.097 13.272 317 HD2 PRO 38 2HD PRO 38 -12.288 4.331 14.348 318 HD3 PRO 38 3HD PRO 38 -12.842 4.820 12.730 319 H ASN 39 H ASN 39 -9.555 4.206 14.953 320 HA ASN 39 HA ASN 39 -7.264 5.253 16.470 321 HB2 ASN 39 2HB ASN 39 -8.813 2.639 16.720 322 HB3 ASN 39 3HB ASN 39 -7.480 3.120 17.772 323 HD21 ASN 39 1HD2 ASN 39 -7.808 4.849 19.228 324 HD22 ASN 39 2HD2 ASN 39 -9.379 5.404 19.666 325 H ALA 40 H ALA 40 -7.642 3.742 13.515 326 HA ALA 40 HA ALA 40 -5.526 1.795 13.646 327 HB1 ALA 40 3HB ALA 40 -7.350 1.535 12.038 328 HB2 ALA 40 1HB ALA 40 -5.801 1.638 11.201 329 HB3 ALA 40 2HB ALA 40 -6.886 3.031 11.232 330 H THR 41 H THR 41 -3.391 2.097 13.320 331 HA THR 41 HA THR 41 -2.398 4.736 12.387 332 HB THR 41 HB THR 41 -0.902 2.659 14.067 333 HG1 THR 41 HG1 THR 41 -2.717 4.625 14.785 334 HG21 THR 41 3HG2 THR 41 0.663 4.509 14.542 335 HG22 THR 41 1HG2 THR 41 -0.274 5.588 13.505 336 HG23 THR 41 2HG2 THR 41 0.572 4.205 12.808 337 H ILE 42 H ILE 42 -1.882 4.528 10.262 338 HA ILE 42 HA ILE 42 -0.646 2.074 9.210 339 HB ILE 42 HB ILE 42 -1.282 4.695 7.754 340 HG12 ILE 42 2HG1 ILE 42 -2.975 2.138 7.823 341 HG13 ILE 42 3HG1 ILE 42 -3.359 3.629 8.678 342 HG21 ILE 42 1HG2 ILE 42 -0.654 1.925 6.623 343 HG22 ILE 42 2HG2 ILE 42 0.423 3.323 6.606 344 HG23 ILE 42 3HG2 ILE 42 -1.071 3.361 5.676 345 HD11 ILE 42 3HD1 ILE 42 -4.662 3.394 6.648 346 HD12 ILE 42 1HD1 ILE 42 -3.188 3.318 5.685 347 HD13 ILE 42 2HD1 ILE 42 -3.601 4.800 6.553 348 H THR 43 H THR 43 1.534 1.945 8.827 349 HA THR 43 HA THR 43 3.218 4.373 9.001 350 HB THR 43 HB THR 43 4.028 1.500 9.653 351 HG1 THR 43 HG1 THR 43 3.286 3.684 11.302 352 HG21 THR 43 3HG2 THR 43 5.919 2.831 8.809 353 HG22 THR 43 1HG2 THR 43 6.109 2.492 10.530 354 HG23 THR 43 2HG2 THR 43 5.574 4.087 10.000 355 H ARG 44 H ARG 44 3.957 4.928 7.065 356 HA ARG 44 HA ARG 44 3.920 3.017 4.812 357 HB2 ARG 44 2HB ARG 44 3.898 5.088 3.390 358 HB3 ARG 44 3HB ARG 44 2.525 4.984 4.483 359 HG2 ARG 44 2HG ARG 44 3.638 6.589 6.026 360 HG3 ARG 44 3HG ARG 44 4.984 6.723 4.897 361 HD2 ARG 44 2HD ARG 44 2.110 7.491 4.285 362 HD3 ARG 44 3HD ARG 44 3.393 8.623 4.735 363 HE ARG 44 HE ARG 44 3.838 6.928 2.392 364 HH11 ARG 44 1HH1 ARG 44 3.046 10.137 3.593 365 HH12 ARG 44 2HH1 ARG 44 3.377 10.911 2.083 366 HH21 ARG 44 1HH2 ARG 44 4.298 7.948 0.452 367 HH22 ARG 44 2HH2 ARG 44 4.092 9.661 0.288 368 H THR 45 H THR 45 5.816 2.259 4.096 369 HA THR 45 HA THR 45 8.206 3.962 4.054 370 HB THR 45 HB THR 45 8.215 1.155 5.286 371 HG1 THR 45 HG1 THR 45 8.115 3.724 6.403 372 HG21 THR 45 3HG2 THR 45 10.592 1.610 5.822 373 HG22 THR 45 1HG2 THR 45 10.492 3.154 4.968 374 HG23 THR 45 2HG2 THR 45 10.320 1.640 4.081 375 H LEU 46 H LEU 46 8.457 3.986 1.876 376 HA LEU 46 HA LEU 46 8.350 1.476 0.329 377 HB2 LEU 46 2HB LEU 46 8.572 4.380 -0.591 378 HB3 LEU 46 3HB LEU 46 8.688 2.999 -1.670 379 HG LEU 46 HG LEU 46 6.324 2.343 -0.839 380 HD11 LEU 46 1HD1 LEU 46 6.179 3.780 1.124 381 HD12 LEU 46 2HD1 LEU 46 4.889 4.140 -0.016 382 HD13 LEU 46 3HD1 LEU 46 6.279 5.222 0.107 383 HD21 LEU 46 3HD2 LEU 46 5.212 3.820 -2.452 384 HD22 LEU 46 1HD2 LEU 46 6.725 3.184 -3.088 385 HD23 LEU 46 2HD2 LEU 46 6.642 4.852 -2.513 386 H THR 47 H THR 47 10.143 0.812 -0.904 387 HA THR 47 HA THR 47 12.736 2.133 -0.459 388 HB THR 47 HB THR 47 12.206 -0.834 0.074 389 HG1 THR 47 HG1 THR 47 12.420 1.426 1.683 390 HG21 THR 47 3HG2 THR 47 14.835 0.707 0.240 391 HG22 THR 47 1HG2 THR 47 14.443 -0.538 -0.948 392 HG23 THR 47 2HG2 THR 47 14.591 -0.963 0.757 393 H ARG 48 H ARG 48 13.986 2.149 -2.292 394 HA ARG 48 HA ARG 48 13.022 0.751 -4.678 395 HB2 ARG 48 2HB ARG 48 15.379 2.646 -4.259 396 HB3 ARG 48 3HB ARG 48 15.044 1.837 -5.783 397 HG2 ARG 48 2HG ARG 48 14.124 3.970 -6.068 398 HG3 ARG 48 3HG ARG 48 12.732 2.953 -5.697 399 HD2 ARG 48 2HD ARG 48 12.639 5.104 -4.510 400 HD3 ARG 48 3HD ARG 48 12.742 3.753 -3.378 401 HE ARG 48 HE ARG 48 15.334 4.492 -3.700 402 HH11 ARG 48 1HH1 ARG 48 12.477 6.340 -2.795 403 HH12 ARG 48 2HH1 ARG 48 13.385 7.472 -1.840 404 HH21 ARG 48 1HH2 ARG 48 16.494 5.960 -2.446 405 HH22 ARG 48 2HH2 ARG 48 15.662 7.257 -1.639 406 H ASP 49 H ASP 49 13.447 -1.325 -4.711 407 HA ASP 49 HA ASP 49 15.844 -2.504 -3.450 408 HB2 ASP 49 2HB ASP 49 13.575 -3.252 -2.682 409 HB3 ASP 49 3HB ASP 49 13.180 -3.743 -4.324 410 H ASP 50 H ASP 50 15.906 -1.127 -6.003 411 HA ASP 50 HA ASP 50 16.785 -1.196 -8.045 412 HB2 ASP 50 2HB ASP 50 18.654 -2.355 -7.010 413 HB3 ASP 50 3HB ASP 50 17.824 -3.904 -7.126 414 H GLY 51 H GLY 51 14.962 -1.101 -9.222 415 HA2 GLY 51 2HA GLY 51 13.711 -1.802 -11.071 416 HA3 GLY 51 3HA GLY 51 14.083 -3.473 -10.682 417 H THR 52 H THR 52 13.302 -3.632 -8.082 418 HA THR 52 HA THR 52 10.364 -3.501 -8.233 419 HB THR 52 HB THR 52 12.177 -5.124 -6.381 420 HG1 THR 52 HG1 THR 52 12.327 -5.802 -8.553 421 HG21 THR 52 3HG2 THR 52 9.920 -4.734 -5.424 422 HG22 THR 52 1HG2 THR 52 10.146 -6.424 -5.875 423 HG23 THR 52 2HG2 THR 52 9.189 -5.357 -6.905 424 H VAL 53 H VAL 53 9.267 -2.121 -6.895 425 HA VAL 53 HA VAL 53 10.615 -0.685 -4.728 426 HB VAL 53 HB VAL 53 7.636 -0.613 -5.473 427 HG11 VAL 53 1HG1 VAL 53 7.622 1.575 -4.301 428 HG12 VAL 53 2HG1 VAL 53 9.319 1.362 -3.863 429 HG13 VAL 53 3HG1 VAL 53 8.095 0.265 -3.219 430 HG21 VAL 53 3HG2 VAL 53 8.115 1.441 -6.749 431 HG22 VAL 53 1HG2 VAL 53 8.949 0.041 -7.426 432 HG23 VAL 53 2HG2 VAL 53 9.844 1.223 -6.468 433 H GLU 54 H GLU 54 10.563 -1.468 -2.635 434 HA GLU 54 HA GLU 54 8.652 -3.595 -1.946 435 HB2 GLU 54 2HB GLU 54 11.096 -3.966 -1.432 436 HB3 GLU 54 3HB GLU 54 11.044 -2.595 -0.322 437 HG2 GLU 54 2HG GLU 54 9.430 -3.728 1.097 438 HG3 GLU 54 3HG GLU 54 9.280 -5.061 -0.046 439 H LEU 55 H LEU 55 6.801 -2.687 -1.426 440 HA LEU 55 HA LEU 55 6.598 -0.219 0.114 441 HB2 LEU 55 2HB LEU 55 5.117 -0.406 -1.792 442 HB3 LEU 55 3HB LEU 55 4.557 -1.991 -1.285 443 HG LEU 55 HG LEU 55 3.445 -0.967 0.685 444 HD11 LEU 55 1HD1 LEU 55 3.184 1.455 0.881 445 HD12 LEU 55 2HD1 LEU 55 4.301 1.696 -0.465 446 HD13 LEU 55 3HD1 LEU 55 4.868 0.964 1.040 447 HD21 LEU 55 3HD2 LEU 55 2.584 0.264 -1.951 448 HD22 LEU 55 1HD2 LEU 55 1.585 0.115 -0.501 449 HD23 LEU 55 2HD2 LEU 55 2.133 -1.331 -1.345 450 H ARG 56 H ARG 56 6.454 -0.302 2.241 451 HA ARG 56 HA ARG 56 5.679 -2.792 3.641 452 HB2 ARG 56 2HB ARG 56 7.364 -0.439 4.636 453 HB3 ARG 56 3HB ARG 56 7.015 -1.912 5.539 454 HG2 ARG 56 2HG ARG 56 8.594 -1.818 2.943 455 HG3 ARG 56 3HG ARG 56 9.313 -1.849 4.552 456 HD2 ARG 56 2HD ARG 56 7.511 -4.019 3.431 457 HD3 ARG 56 3HD ARG 56 9.278 -4.080 3.443 458 HE ARG 56 HE ARG 56 7.707 -3.838 5.944 459 HH11 ARG 56 1HH1 ARG 56 10.163 -5.518 4.062 460 HH12 ARG 56 2HH1 ARG 56 10.630 -6.539 5.385 461 HH21 ARG 56 1HH2 ARG 56 8.374 -5.148 7.670 462 HH22 ARG 56 2HH2 ARG 56 9.621 -6.331 7.423 463 H ILE 57 H ILE 57 3.524 -2.564 3.923 464 HA ILE 57 HA ILE 57 2.456 -0.067 5.107 465 HB ILE 57 HB ILE 57 1.076 -2.436 3.785 466 HG12 ILE 57 2HG1 ILE 57 2.073 -0.846 2.193 467 HG13 ILE 57 3HG1 ILE 57 0.320 -0.779 2.112 468 HG21 ILE 57 1HG2 ILE 57 -1.071 -1.278 4.134 469 HG22 ILE 57 2HG2 ILE 57 -0.255 -0.054 5.105 470 HG23 ILE 57 3HG2 ILE 57 -0.317 -1.727 5.664 471 HD11 ILE 57 3HD1 ILE 57 0.348 1.302 3.433 472 HD12 ILE 57 1HD1 ILE 57 1.280 1.438 1.943 473 HD13 ILE 57 2HD1 ILE 57 2.112 1.237 3.483 474 H LYS 58 H LYS 58 2.548 -0.091 7.229 475 HA LYS 58 HA LYS 58 2.191 -2.627 8.728 476 HB2 LYS 58 2HB LYS 58 4.464 -1.757 8.867 477 HB3 LYS 58 3HB LYS 58 3.886 -0.163 9.298 478 HG2 LYS 58 2HG LYS 58 3.094 -1.011 11.464 479 HG3 LYS 58 3HG LYS 58 3.612 -2.642 11.020 480 HD2 LYS 58 2HD LYS 58 5.975 -1.786 10.837 481 HD3 LYS 58 3HD LYS 58 5.409 -0.214 11.417 482 HE2 LYS 58 2HE LYS 58 4.672 -1.275 13.535 483 HE3 LYS 58 3HE LYS 58 5.252 -2.836 12.947 484 HZ1 LYS 58 3HZ LYS 58 6.923 -0.434 13.440 485 HZ2 LYS 58 1HZ LYS 58 7.486 -1.912 12.843 486 HZ3 LYS 58 2HZ LYS 58 6.849 -1.816 14.408 487 H VAL 59 H VAL 59 0.095 -2.603 9.315 488 HA VAL 59 HA VAL 59 -1.183 -0.090 10.210 489 HB VAL 59 HB VAL 59 -2.502 -2.667 9.202 490 HG11 VAL 59 1HG1 VAL 59 -4.608 -1.372 9.216 491 HG12 VAL 59 2HG1 VAL 59 -3.771 0.012 9.923 492 HG13 VAL 59 3HG1 VAL 59 -3.921 -1.491 10.835 493 HG21 VAL 59 3HG2 VAL 59 -1.349 -1.474 7.383 494 HG22 VAL 59 1HG2 VAL 59 -2.189 0.024 7.795 495 HG23 VAL 59 2HG2 VAL 59 -3.095 -1.364 7.184 496 H LYS 60 H LYS 60 -1.061 0.046 12.350 497 HA LYS 60 HA LYS 60 -1.447 -2.208 14.142 498 HB2 LYS 60 2HB LYS 60 0.163 -0.373 14.687 499 HB3 LYS 60 3HB LYS 60 -1.166 0.787 14.712 500 HG2 LYS 60 2HG LYS 60 -2.160 -0.367 16.647 501 HG3 LYS 60 3HG LYS 60 -0.886 -1.587 16.601 502 HD2 LYS 60 2HD LYS 60 -0.408 0.045 18.358 503 HD3 LYS 60 3HD LYS 60 0.801 0.175 17.081 504 HE2 LYS 60 2HE LYS 60 -0.483 2.120 16.145 505 HE3 LYS 60 3HE LYS 60 -1.561 2.026 17.542 506 HZ1 LYS 60 3HZ LYS 60 1.362 2.535 17.611 507 HZ2 LYS 60 1HZ LYS 60 0.366 2.389 18.971 508 HZ3 LYS 60 2HZ LYS 60 0.139 3.668 17.891 509 H ALA 61 H ALA 61 -3.455 -2.905 14.535 510 HA ALA 61 HA ALA 61 -5.714 -1.041 14.855 511 HB1 ALA 61 3HB ALA 61 -7.194 -2.449 13.473 512 HB2 ALA 61 1HB ALA 61 -5.842 -3.511 13.074 513 HB3 ALA 61 2HB ALA 61 -5.846 -1.840 12.513 514 H ASP 62 H ASP 62 -7.620 -2.254 15.778 515 HA ASP 62 HA ASP 62 -6.868 -3.585 18.184 516 HB2 ASP 62 2HB ASP 62 -9.354 -3.734 18.564 517 HB3 ASP 62 3HB ASP 62 -8.813 -2.115 18.149 518 H THR 63 H THR 63 -8.366 -4.700 15.144 519 HA THR 63 HA THR 63 -7.621 -7.493 15.812 520 HB THR 63 HB THR 63 -9.702 -8.204 14.479 521 HG1 THR 63 HG1 THR 63 -10.587 -5.545 15.041 522 HG21 THR 63 3HG2 THR 63 -9.657 -8.409 16.949 523 HG22 THR 63 1HG2 THR 63 -11.270 -8.001 16.364 524 HG23 THR 63 2HG2 THR 63 -10.262 -6.760 17.109 525 H GLU 64 H GLU 64 -7.025 -8.769 14.022 526 HA GLU 64 HA GLU 64 -5.609 -7.330 12.010 527 HB2 GLU 64 2HB GLU 64 -4.781 -9.503 11.224 528 HB3 GLU 64 3HB GLU 64 -4.641 -9.357 12.963 529 HG2 GLU 64 2HG GLU 64 -5.322 -11.568 12.660 530 HG3 GLU 64 3HG GLU 64 -6.810 -10.735 13.099 531 H GLU 65 H GLU 65 -8.750 -8.892 12.085 532 HA GLU 65 HA GLU 65 -9.331 -9.186 9.371 533 HB2 GLU 65 2HB GLU 65 -10.828 -10.008 11.118 534 HB3 GLU 65 3HB GLU 65 -11.135 -8.373 11.684 535 HG2 GLU 65 2HG GLU 65 -13.061 -9.104 10.475 536 HG3 GLU 65 3HG GLU 65 -12.260 -7.871 9.512 537 H LYS 66 H LYS 66 -9.873 -6.369 11.465 538 HA LYS 66 HA LYS 66 -10.845 -4.612 9.428 539 HB2 LYS 66 2HB LYS 66 -9.716 -4.037 12.205 540 HB3 LYS 66 3HB LYS 66 -10.586 -2.867 11.208 541 HG2 LYS 66 2HG LYS 66 -12.631 -4.189 11.353 542 HG3 LYS 66 3HG LYS 66 -11.777 -5.482 12.196 543 HD2 LYS 66 2HD LYS 66 -13.082 -4.184 13.796 544 HD3 LYS 66 3HD LYS 66 -11.362 -3.962 14.108 545 HE2 LYS 66 2HE LYS 66 -11.478 -1.787 12.861 546 HE3 LYS 66 3HE LYS 66 -13.225 -2.007 12.726 547 HZ1 LYS 66 3HZ LYS 66 -11.687 -1.802 15.255 548 HZ2 LYS 66 1HZ LYS 66 -13.365 -2.007 15.134 549 HZ3 LYS 66 2HZ LYS 66 -12.645 -0.589 14.582 550 H ALA 67 H ALA 67 -7.688 -5.269 10.854 551 HA ALA 67 HA ALA 67 -6.228 -3.165 9.631 552 HB1 ALA 67 3HB ALA 67 -4.240 -4.424 10.258 553 HB2 ALA 67 1HB ALA 67 -5.209 -5.869 10.539 554 HB3 ALA 67 2HB ALA 67 -5.420 -4.449 11.566 555 H LYS 68 H LYS 68 -6.941 -6.472 8.543 556 HA LYS 68 HA LYS 68 -5.298 -6.455 6.195 557 HB2 LYS 68 2HB LYS 68 -7.660 -8.245 6.940 558 HB3 LYS 68 3HB LYS 68 -6.636 -8.500 5.533 559 HG2 LYS 68 2HG LYS 68 -5.720 -8.645 8.420 560 HG3 LYS 68 3HG LYS 68 -6.105 -10.025 7.395 561 HD2 LYS 68 2HD LYS 68 -4.246 -9.500 5.916 562 HD3 LYS 68 3HD LYS 68 -3.909 -8.014 6.811 563 HE2 LYS 68 2HE LYS 68 -2.346 -9.817 7.423 564 HE3 LYS 68 3HE LYS 68 -3.320 -9.301 8.798 565 HZ1 LYS 68 3HZ LYS 68 -4.715 -11.236 8.518 566 HZ2 LYS 68 1HZ LYS 68 -3.097 -11.709 8.670 567 HZ3 LYS 68 2HZ LYS 68 -3.840 -11.722 7.154 568 H SER 69 H SER 69 -8.578 -5.486 6.972 569 HA SER 69 HA SER 69 -9.614 -5.206 4.354 570 HB2 SER 69 2HB SER 69 -10.974 -5.197 6.469 571 HB3 SER 69 3HB SER 69 -10.336 -3.597 6.840 572 HG SER 69 HG SER 69 -11.784 -4.243 4.482 573 H ILE 70 H ILE 70 -7.932 -2.941 6.516 574 HA ILE 70 HA ILE 70 -7.812 -0.649 4.868 575 HB ILE 70 HB ILE 70 -5.868 -1.628 7.009 576 HG12 ILE 70 2HG1 ILE 70 -8.126 0.409 7.267 577 HG13 ILE 70 3HG1 ILE 70 -8.289 -1.290 7.694 578 HG21 ILE 70 1HG2 ILE 70 -4.750 0.062 5.620 579 HG22 ILE 70 2HG2 ILE 70 -5.094 0.714 7.220 580 HG23 ILE 70 3HG2 ILE 70 -6.100 1.179 5.847 581 HD11 ILE 70 3HD1 ILE 70 -7.934 0.083 9.644 582 HD12 ILE 70 1HD1 ILE 70 -6.410 0.675 8.982 583 HD13 ILE 70 2HD1 ILE 70 -6.586 -1.031 9.410 584 H ILE 71 H ILE 71 -5.558 -3.360 5.285 585 HA ILE 71 HA ILE 71 -3.551 -2.638 3.471 586 HB ILE 71 HB ILE 71 -4.526 -5.382 4.369 587 HG12 ILE 71 2HG1 ILE 71 -2.095 -3.746 5.251 588 HG13 ILE 71 3HG1 ILE 71 -3.596 -3.895 6.157 589 HG21 ILE 71 1HG2 ILE 71 -3.363 -5.674 2.227 590 HG22 ILE 71 2HG2 ILE 71 -2.404 -6.340 3.544 591 HG23 ILE 71 3HG2 ILE 71 -1.967 -4.783 2.837 592 HD11 ILE 71 3HD1 ILE 71 -1.898 -5.314 7.096 593 HD12 ILE 71 1HD1 ILE 71 -1.653 -6.117 5.547 594 HD13 ILE 71 2HD1 ILE 71 -3.183 -6.306 6.408 595 H LYS 72 H LYS 72 -6.615 -4.391 2.936 596 HA LYS 72 HA LYS 72 -6.106 -5.145 0.245 597 HB2 LYS 72 2HB LYS 72 -7.758 -6.329 1.632 598 HB3 LYS 72 3HB LYS 72 -8.771 -4.895 1.694 599 HG2 LYS 72 2HG LYS 72 -9.621 -6.589 0.095 600 HG3 LYS 72 3HG LYS 72 -9.245 -5.058 -0.692 601 HD2 LYS 72 2HD LYS 72 -8.470 -6.883 -2.106 602 HD3 LYS 72 3HD LYS 72 -7.074 -6.013 -1.473 603 HE2 LYS 72 2HE LYS 72 -6.833 -7.796 0.283 604 HE3 LYS 72 3HE LYS 72 -8.134 -8.692 -0.509 605 HZ1 LYS 72 3HZ LYS 72 -5.494 -7.972 -1.679 606 HZ2 LYS 72 1HZ LYS 72 -6.753 -8.715 -2.537 607 HZ3 LYS 72 2HZ LYS 72 -6.023 -9.523 -1.247 608 H LEU 73 H LEU 73 -7.741 -2.362 1.700 609 HA LEU 73 HA LEU 73 -8.653 -1.084 -0.624 610 HB2 LEU 73 2HB LEU 73 -7.886 -0.159 2.129 611 HB3 LEU 73 3HB LEU 73 -7.976 1.079 0.891 612 HG LEU 73 HG LEU 73 -10.339 0.610 0.498 613 HD11 LEU 73 1HD1 LEU 73 -10.152 -1.571 2.592 614 HD12 LEU 73 2HD1 LEU 73 -10.372 -1.811 0.858 615 HD13 LEU 73 3HD1 LEU 73 -11.625 -1.006 1.797 616 HD21 LEU 73 3HD2 LEU 73 -9.791 2.217 2.263 617 HD22 LEU 73 1HD2 LEU 73 -9.737 0.922 3.464 618 HD23 LEU 73 2HD2 LEU 73 -11.260 1.339 2.672 619 H ILE 74 H ILE 74 -5.531 -0.779 1.070 620 HA ILE 74 HA ILE 74 -4.304 1.043 -0.685 621 HB ILE 74 HB ILE 74 -3.035 -1.030 1.160 622 HG12 ILE 74 2HG1 ILE 74 -3.623 1.946 1.592 623 HG13 ILE 74 3HG1 ILE 74 -4.538 0.619 2.294 624 HG21 ILE 74 1HG2 ILE 74 -1.724 1.399 -0.130 625 HG22 ILE 74 2HG2 ILE 74 -1.390 -0.289 -0.521 626 HG23 ILE 74 3HG2 ILE 74 -0.980 0.338 1.072 627 HD11 ILE 74 3HD1 ILE 74 -3.065 1.623 3.915 628 HD12 ILE 74 1HD1 ILE 74 -1.668 1.311 2.888 629 HD13 ILE 74 2HD1 ILE 74 -2.566 -0.037 3.590 630 H GLU 75 H GLU 75 -4.279 -2.531 -0.692 631 HA GLU 75 HA GLU 75 -2.474 -3.053 -2.770 632 HB2 GLU 75 2HB GLU 75 -4.973 -4.575 -1.939 633 HB3 GLU 75 3HB GLU 75 -3.799 -5.201 -3.091 634 HG2 GLU 75 2HG GLU 75 -2.083 -5.286 -1.371 635 HG3 GLU 75 3HG GLU 75 -3.171 -4.523 -0.208 636 H GLU 76 H GLU 76 -6.002 -2.647 -2.911 637 HA GLU 76 HA GLU 76 -6.308 -3.034 -5.689 638 HB2 GLU 76 2HB GLU 76 -8.092 -1.546 -3.726 639 HB3 GLU 76 3HB GLU 76 -8.564 -1.976 -5.367 640 HG2 GLU 76 2HG GLU 76 -7.848 -3.968 -3.191 641 HG3 GLU 76 3HG GLU 76 -9.482 -3.494 -3.636 642 H ARG 77 H ARG 77 -5.858 -0.111 -3.742 643 HA ARG 77 HA ARG 77 -6.391 1.759 -5.832 644 HB2 ARG 77 2HB ARG 77 -4.879 2.104 -3.221 645 HB3 ARG 77 3HB ARG 77 -5.395 3.422 -4.266 646 HG2 ARG 77 2HG ARG 77 -7.273 1.502 -2.872 647 HG3 ARG 77 3HG ARG 77 -6.813 3.083 -2.253 648 HD2 ARG 77 2HD ARG 77 -7.779 4.091 -4.351 649 HD3 ARG 77 3HD ARG 77 -8.380 2.484 -4.769 650 HE ARG 77 HE ARG 77 -10.022 2.695 -3.190 651 HH11 ARG 77 1HH1 ARG 77 -7.673 5.248 -2.629 652 HH12 ARG 77 2HH1 ARG 77 -8.666 6.058 -1.464 653 HH21 ARG 77 1HH2 ARG 77 -11.278 3.761 -1.619 654 HH22 ARG 77 2HH2 ARG 77 -10.691 5.222 -0.897 655 H ILE 78 H ILE 78 -3.315 0.627 -4.315 656 HA ILE 78 HA ILE 78 -1.591 2.288 -5.762 657 HB ILE 78 HB ILE 78 0.300 0.799 -5.161 658 HG12 ILE 78 2HG1 ILE 78 -1.834 -1.093 -4.065 659 HG13 ILE 78 3HG1 ILE 78 -0.813 -1.403 -5.459 660 HG21 ILE 78 1HG2 ILE 78 -1.633 1.255 -2.861 661 HG22 ILE 78 2HG2 ILE 78 -0.475 2.423 -3.502 662 HG23 ILE 78 3HG2 ILE 78 0.101 0.963 -2.700 663 HD11 ILE 78 3HD1 ILE 78 1.150 -1.437 -3.971 664 HD12 ILE 78 1HD1 ILE 78 -0.059 -2.651 -3.563 665 HD13 ILE 78 2HD1 ILE 78 0.074 -1.186 -2.592 666 H GLU 79 H GLU 79 -2.674 -1.037 -6.514 667 HA GLU 79 HA GLU 79 -1.023 -1.298 -8.827 668 HB2 GLU 79 2HB GLU 79 -1.937 -3.260 -7.535 669 HB3 GLU 79 3HB GLU 79 -3.540 -2.898 -8.180 670 HG2 GLU 79 2HG GLU 79 -2.516 -3.124 -10.506 671 HG3 GLU 79 3HG GLU 79 -1.071 -3.761 -9.725 672 H GLU 80 H GLU 80 -4.443 -0.389 -8.300 673 HA GLU 80 HA GLU 80 -5.203 -0.453 -11.033 674 HB2 GLU 80 2HB GLU 80 -6.873 -0.513 -9.235 675 HB3 GLU 80 3HB GLU 80 -6.447 1.120 -8.740 676 HG2 GLU 80 2HG GLU 80 -7.396 2.079 -10.705 677 HG3 GLU 80 3HG GLU 80 -7.498 0.517 -11.516 678 H GLU 81 H GLU 81 -3.661 2.046 -9.088 679 HA GLU 81 HA GLU 81 -3.939 4.095 -11.158 680 HB2 GLU 81 2HB GLU 81 -2.394 4.221 -8.535 681 HB3 GLU 81 3HB GLU 81 -2.815 5.581 -9.574 682 HG2 GLU 81 2HG GLU 81 -4.731 3.856 -7.981 683 HG3 GLU 81 3HG GLU 81 -4.281 5.523 -7.645 684 H LEU 82 H LEU 82 -1.437 1.926 -9.917 685 HA LEU 82 HA LEU 82 0.739 3.304 -11.253 686 HB2 LEU 82 2HB LEU 82 0.673 1.776 -9.038 687 HB3 LEU 82 3HB LEU 82 1.081 0.508 -10.175 688 HG LEU 82 HG LEU 82 2.705 3.019 -9.585 689 HD11 LEU 82 1HD1 LEU 82 4.307 1.501 -8.574 690 HD12 LEU 82 2HD1 LEU 82 3.284 0.117 -8.957 691 HD13 LEU 82 3HD1 LEU 82 2.733 1.334 -7.803 692 HD21 LEU 82 3HD2 LEU 82 3.407 0.767 -11.499 693 HD22 LEU 82 1HD2 LEU 82 4.473 2.089 -11.021 694 HD23 LEU 82 2HD2 LEU 82 3.016 2.428 -11.948 695 H ARG 83 H ARG 83 -0.820 0.119 -11.576 696 HA ARG 83 HA ARG 83 0.443 -0.739 -13.932 697 HB2 ARG 83 2HB ARG 83 -0.768 -2.247 -12.394 698 HB3 ARG 83 3HB ARG 83 -2.300 -1.504 -12.842 699 HG2 ARG 83 2HG ARG 83 -2.034 -2.361 -15.152 700 HG3 ARG 83 3HG ARG 83 -0.499 -3.113 -14.699 701 HD2 ARG 83 2HD ARG 83 -2.396 -4.740 -14.713 702 HD3 ARG 83 3HD ARG 83 -1.642 -4.591 -13.125 703 HE ARG 83 HE ARG 83 -3.587 -3.734 -12.274 704 HH11 ARG 83 1HH1 ARG 83 -3.910 -3.757 -15.780 705 HH12 ARG 83 2HH1 ARG 83 -5.593 -3.352 -15.741 706 HH21 ARG 83 1HH2 ARG 83 -5.792 -3.143 -12.264 707 HH22 ARG 83 2HH2 ARG 83 -6.651 -3.004 -13.763 708 H LYS 84 H LYS 84 -2.176 1.489 -13.443 709 HA LYS 84 HA LYS 84 -3.276 1.715 -16.016 710 HB2 LYS 84 2HB LYS 84 -4.124 2.667 -13.843 711 HB3 LYS 84 3HB LYS 84 -2.829 3.853 -13.885 712 HG2 LYS 84 2HG LYS 84 -3.778 4.789 -15.955 713 HG3 LYS 84 3HG LYS 84 -5.090 3.610 -15.880 714 HD2 LYS 84 2HD LYS 84 -4.501 5.755 -13.788 715 HD3 LYS 84 3HD LYS 84 -5.795 5.820 -14.983 716 HE2 LYS 84 2HE LYS 84 -6.870 3.861 -13.956 717 HE3 LYS 84 3HE LYS 84 -5.551 3.724 -12.795 718 HZ1 LYS 84 3HZ LYS 84 -6.172 5.892 -11.907 719 HZ2 LYS 84 1HZ LYS 84 -7.460 4.797 -11.814 720 HZ3 LYS 84 2HZ LYS 84 -7.452 5.993 -13.010 721 H ARG 85 H ARG 85 -0.384 3.032 -14.534 722 HA ARG 85 HA ARG 85 0.376 4.712 -16.806 723 HB2 ARG 85 2HB ARG 85 0.629 5.671 -14.590 724 HB3 ARG 85 3HB ARG 85 1.520 4.273 -14.016 725 HG2 ARG 85 2HG ARG 85 2.994 6.190 -14.317 726 HG3 ARG 85 3HG ARG 85 3.432 4.885 -15.420 727 HD2 ARG 85 2HD ARG 85 3.568 7.029 -16.558 728 HD3 ARG 85 3HD ARG 85 2.268 6.062 -17.258 729 HE ARG 85 HE ARG 85 0.893 7.530 -15.507 730 HH11 ARG 85 1HH1 ARG 85 3.403 8.568 -17.730 731 HH12 ARG 85 2HH1 ARG 85 2.747 10.161 -17.919 732 HH21 ARG 85 1HH2 ARG 85 0.018 9.623 -15.801 733 HH22 ARG 85 2HH2 ARG 85 0.835 10.759 -16.827 734 H ASP 86 H ASP 86 1.271 1.674 -15.269 735 HA ASP 86 HA ASP 86 3.383 1.180 -17.267 736 HB2 ASP 86 2HB ASP 86 3.503 0.582 -14.274 737 HB3 ASP 86 3HB ASP 86 4.618 -0.118 -15.443 738 HA PRO 87 HA PRO 87 0.334 -2.157 -18.065 739 HB2 PRO 87 2HB PRO 87 2.668 -3.051 -19.785 740 HB3 PRO 87 3HB PRO 87 0.935 -2.948 -20.188 741 HG2 PRO 87 2HG PRO 87 2.595 -1.090 -21.072 742 HG3 PRO 87 3HG PRO 87 0.988 -0.629 -20.458 743 HD2 PRO 87 2HD PRO 87 3.671 -0.355 -19.125 744 HD3 PRO 87 3HD PRO 87 2.272 0.740 -19.091 745 H ASN 88 H ASN 88 3.770 -2.758 -17.277 746 HA ASN 88 HA ASN 88 3.124 -5.507 -16.357 747 HB2 ASN 88 2HB ASN 88 5.755 -4.172 -17.091 748 HB3 ASN 88 3HB ASN 88 5.678 -5.747 -16.303 749 HD21 ASN 88 1HD2 ASN 88 4.854 -7.525 -17.466 750 HD22 ASN 88 2HD2 ASN 88 4.692 -7.502 -19.184 751 H ALA 89 H ALA 89 2.663 -2.845 -14.845 752 HA ALA 89 HA ALA 89 4.340 -3.072 -12.498 753 HB1 ALA 89 3HB ALA 89 3.409 -0.896 -13.143 754 HB2 ALA 89 1HB ALA 89 2.905 -1.350 -11.512 755 HB3 ALA 89 2HB ALA 89 1.779 -1.501 -12.862 756 H THR 90 H THR 90 3.980 -5.359 -12.230 757 HA THR 90 HA THR 90 1.484 -6.276 -11.033 758 HB THR 90 HB THR 90 4.163 -7.705 -11.450 759 HG1 THR 90 HG1 THR 90 2.315 -6.993 -13.212 760 HG21 THR 90 3HG2 THR 90 1.429 -8.894 -10.836 761 HG22 THR 90 1HG2 THR 90 2.789 -8.825 -9.714 762 HG23 THR 90 2HG2 THR 90 2.902 -9.805 -11.178 763 H ILE 91 H ILE 91 1.228 -6.613 -8.844 764 HA ILE 91 HA ILE 91 3.466 -5.942 -7.034 765 HB ILE 91 HB ILE 91 1.856 -5.275 -5.346 766 HG12 ILE 91 2HG1 ILE 91 -0.348 -5.980 -7.346 767 HG13 ILE 91 3HG1 ILE 91 -0.001 -6.847 -5.852 768 HG21 ILE 91 1HG2 ILE 91 1.159 -3.959 -8.004 769 HG22 ILE 91 2HG2 ILE 91 2.537 -3.553 -6.984 770 HG23 ILE 91 3HG2 ILE 91 0.901 -3.254 -6.405 771 HD11 ILE 91 3HD1 ILE 91 -1.925 -5.417 -5.592 772 HD12 ILE 91 1HD1 ILE 91 -0.981 -4.010 -6.080 773 HD13 ILE 91 2HD1 ILE 91 -0.605 -4.845 -4.571 774 H THR 92 H THR 92 3.948 -7.335 -5.389 775 HA THR 92 HA THR 92 2.676 -10.012 -5.376 776 HB THR 92 HB THR 92 5.628 -9.351 -4.895 777 HG1 THR 92 HG1 THR 92 4.334 -10.570 -7.130 778 HG21 THR 92 3HG2 THR 92 5.990 -11.805 -4.994 779 HG22 THR 92 1HG2 THR 92 4.249 -12.065 -5.144 780 HG23 THR 92 2HG2 THR 92 4.917 -11.385 -3.662 781 H ARG 93 H ARG 93 1.492 -10.130 -3.537 782 HA ARG 93 HA ARG 93 2.243 -8.587 -1.178 783 HB2 ARG 93 2HB ARG 93 -0.146 -8.694 -1.800 784 HB3 ARG 93 3HB ARG 93 -0.147 -10.448 -1.592 785 HG2 ARG 93 2HG ARG 93 0.379 -10.180 0.802 786 HG3 ARG 93 3HG ARG 93 0.444 -8.429 0.600 787 HD2 ARG 93 2HD ARG 93 -1.660 -8.979 1.588 788 HD3 ARG 93 3HD ARG 93 -1.965 -8.483 -0.075 789 HE ARG 93 HE ARG 93 -1.708 -11.310 0.080 790 HH11 ARG 93 1HH1 ARG 93 -3.954 -8.719 0.858 791 HH12 ARG 93 2HH1 ARG 93 -5.353 -9.742 0.763 792 HH21 ARG 93 1HH2 ARG 93 -3.563 -12.648 -0.013 793 HH22 ARG 93 2HH2 ARG 93 -5.131 -11.962 0.265 794 H THR 94 H THR 94 3.450 -9.342 0.401 795 HA THR 94 HA THR 94 3.256 -12.172 1.226 796 HB THR 94 HB THR 94 5.763 -10.412 1.319 797 HG1 THR 94 HG1 THR 94 5.931 -11.152 -0.661 798 HG21 THR 94 3HG2 THR 94 5.385 -13.321 2.155 799 HG22 THR 94 1HG2 THR 94 5.656 -11.962 3.251 800 HG23 THR 94 2HG2 THR 94 6.921 -12.455 2.125 801 H VAL 95 H VAL 95 1.919 -11.937 3.018 802 HA VAL 95 HA VAL 95 2.060 -9.620 4.725 803 HB VAL 95 HB VAL 95 -0.084 -10.726 4.531 804 HG11 VAL 95 1HG1 VAL 95 1.147 -13.207 5.787 805 HG12 VAL 95 2HG1 VAL 95 0.606 -13.036 4.115 806 HG13 VAL 95 3HG1 VAL 95 -0.567 -12.970 5.429 807 HG21 VAL 95 3HG2 VAL 95 0.374 -9.545 6.640 808 HG22 VAL 95 1HG2 VAL 95 1.011 -11.028 7.363 809 HG23 VAL 95 2HG2 VAL 95 -0.695 -10.915 6.925 810 H ARG 96 H ARG 96 3.626 -9.251 6.127 811 HA ARG 96 HA ARG 96 5.692 -11.243 6.531 812 HB2 ARG 96 2HB ARG 96 6.063 -8.767 5.966 813 HB3 ARG 96 3HB ARG 96 5.597 -8.395 7.622 814 HG2 ARG 96 2HG ARG 96 7.999 -8.410 7.498 815 HG3 ARG 96 3HG ARG 96 7.496 -9.828 8.422 816 HD2 ARG 96 2HD ARG 96 7.699 -11.160 6.248 817 HD3 ARG 96 3HD ARG 96 8.480 -9.734 5.550 818 HE ARG 96 HE ARG 96 9.552 -11.008 7.988 819 HH11 ARG 96 1HH1 ARG 96 10.047 -10.065 4.635 820 HH12 ARG 96 2HH1 ARG 96 11.740 -10.445 4.670 821 HH21 ARG 96 1HH2 ARG 96 11.750 -11.500 8.013 822 HH22 ARG 96 2HH2 ARG 96 12.707 -11.257 6.588 823 H THR 97 H THR 97 3.111 -9.819 8.414 824 HA THR 97 HA THR 97 4.052 -10.700 10.979 825 HB THR 97 HB THR 97 1.362 -9.619 10.061 826 HG1 THR 97 HG1 THR 97 3.646 -8.575 11.382 827 HG21 THR 97 3HG2 THR 97 0.983 -11.045 12.061 828 HG22 THR 97 1HG2 THR 97 0.766 -9.337 12.443 829 HG23 THR 97 2HG2 THR 97 2.246 -10.171 12.926 830 H GLU 98 H GLU 98 3.724 -12.539 11.986 831 HA GLU 98 HA GLU 98 2.209 -14.738 10.742 832 HB2 GLU 98 2HB GLU 98 3.445 -16.119 12.518 833 HB3 GLU 98 3HB GLU 98 4.438 -15.392 11.266 834 HG2 GLU 98 2HG GLU 98 5.131 -13.608 12.818 835 HG3 GLU 98 3HG GLU 98 4.096 -14.288 14.074 836 H VAL 99 H VAL 99 0.086 -14.402 11.266 837 HA VAL 99 HA VAL 99 -0.692 -14.068 14.103 838 HB VAL 99 HB VAL 99 -2.442 -13.890 11.599 839 HG11 VAL 99 1HG1 VAL 99 -3.752 -14.585 13.554 840 HG12 VAL 99 2HG1 VAL 99 -4.180 -12.942 13.090 841 HG13 VAL 99 3HG1 VAL 99 -3.140 -13.220 14.491 842 HG21 VAL 99 3HG2 VAL 99 -0.850 -12.019 11.675 843 HG22 VAL 99 1HG2 VAL 99 -1.344 -11.625 13.323 844 HG23 VAL 99 2HG2 VAL 99 -2.486 -11.445 11.988 845 H GLY 100 H GLY 100 -1.130 -15.857 15.188 846 HA2 GLY 100 2HA GLY 100 -2.824 -17.961 14.164 847 HA3 GLY 100 3HA GLY 100 -1.152 -18.463 14.412 848 H SER 101 H SER 101 -3.612 -19.325 15.816 849 HA SER 101 HA SER 101 -2.573 -19.109 18.525 850 HB2 SER 101 2HB SER 101 -4.836 -18.493 19.466 851 HB3 SER 101 3HB SER 101 -4.115 -17.212 18.493 852 HG SER 101 HG SER 101 -5.859 -19.060 17.274 853 H SER 102 H SER 102 -3.014 -20.916 19.745 854 HA SER 102 HA SER 102 -4.695 -23.059 18.616 855 HB2 SER 102 2HB SER 102 -2.290 -23.253 17.816 856 HB3 SER 102 3HB SER 102 -1.796 -23.431 19.495 857 HG SER 102 HG SER 102 -3.675 -25.148 18.241 858 H TRP 103 H TRP 103 -5.272 -21.338 20.745 859 HA TRP 103 HA TRP 103 -4.616 -22.414 23.304 860 HB2 TRP 103 2HB TRP 103 -5.291 -20.040 22.900 861 HB3 TRP 103 3HB TRP 103 -6.921 -20.574 22.517 862 HD1 TRP 103 HD1 TRP 103 -4.832 -21.778 25.586 863 HE1 TRP 103 HE1 TRP 103 -6.060 -21.070 27.722 864 HE3 TRP 103 HE3 TRP 103 -8.650 -19.072 23.489 865 HZ2 TRP 103 HZ2 TRP 103 -8.327 -19.564 28.445 866 HZ3 TRP 103 HZ3 TRP 103 -10.308 -18.031 24.985 867 HH2 TRP 103 HH2 TRP 103 -10.151 -18.273 27.413 868 H SER 104 H SER 104 -5.087 -24.571 23.399 869 HA SER 104 HA SER 104 -7.692 -25.625 22.624 870 HB2 SER 104 2HB SER 104 -5.573 -26.781 22.015 871 HB3 SER 104 3HB SER 104 -5.227 -27.044 23.720 872 HG SER 104 HG SER 104 -6.405 -28.712 22.288 873 H LEU 105 H LEU 105 -9.200 -25.012 24.142 874 HA LEU 105 HA LEU 105 -8.703 -25.172 26.983 875 HB2 LEU 105 2HB LEU 105 -11.372 -24.779 25.557 876 HB3 LEU 105 3HB LEU 105 -11.062 -24.554 27.269 877 HG LEU 105 HG LEU 105 -9.283 -22.755 26.386 878 HD11 LEU 105 1HD1 LEU 105 -9.554 -23.202 24.011 879 HD12 LEU 105 2HD1 LEU 105 -10.030 -21.548 24.391 880 HD13 LEU 105 3HD1 LEU 105 -11.266 -22.775 24.096 881 HD21 LEU 105 3HD2 LEU 105 -12.265 -22.171 26.503 882 HD22 LEU 105 1HD2 LEU 105 -10.966 -20.981 26.661 883 HD23 LEU 105 2HD2 LEU 105 -11.163 -22.239 27.879 884 H GLU 106 H GLU 106 -8.199 -27.277 27.498 885 HA GLU 106 HA GLU 106 -10.046 -29.461 26.780 886 HB2 GLU 106 2HB GLU 106 -7.261 -29.549 28.022 887 HB3 GLU 106 3HB GLU 106 -8.203 -30.948 27.515 888 HG2 GLU 106 2HG GLU 106 -8.151 -30.022 25.161 889 HG3 GLU 106 3HG GLU 106 -7.044 -28.780 25.739 890 H HIS 107 H HIS 107 -10.712 -27.392 28.795 891 HA HIS 107 HA HIS 107 -10.595 -28.532 31.408 892 HB2 HIS 107 2HB HIS 107 -10.910 -26.131 31.193 893 HB3 HIS 107 3HB HIS 107 -12.381 -26.346 30.257 894 HD1 HIS 107 HD1 HIS 107 -11.091 -26.671 33.804 895 HD2 HIS 107 HD2 HIS 107 -14.706 -26.625 31.747 896 HE1 HIS 107 HE1 HIS 107 -12.871 -26.579 35.572 897 HE2 HIS 107 HE2 HIS 107 -15.031 -26.372 34.306 898 H HIS 108 H HIS 108 -11.305 -30.652 31.249 899 HA HIS 108 HA HIS 108 -14.081 -31.242 30.600 900 HB2 HIS 108 2HB HIS 108 -13.516 -33.526 31.587 901 HB3 HIS 108 3HB HIS 108 -12.594 -33.047 30.169 902 HD1 HIS 108 HD1 HIS 108 -10.103 -33.011 30.383 903 HD2 HIS 108 HD2 HIS 108 -11.993 -33.460 34.050 904 HE1 HIS 108 HE1 HIS 108 -8.275 -33.543 32.017 905 HE2 HIS 108 HE2 HIS 108 -9.419 -33.590 34.255 906 H HIS 109 H HIS 109 -15.453 -32.341 32.328 907 HA HIS 109 HA HIS 109 -15.358 -30.804 34.844 908 HB2 HIS 109 2HB HIS 109 -17.730 -30.102 34.500 909 HB3 HIS 109 3HB HIS 109 -16.650 -29.422 33.290 910 HD1 HIS 109 HD1 HIS 109 -19.541 -31.722 33.671 911 HD2 HIS 109 HD2 HIS 109 -17.003 -30.433 30.651 912 HE1 HIS 109 HE1 HIS 109 -20.604 -32.499 31.529 913 HE2 HIS 109 HE2 HIS 109 -19.141 -31.555 29.713 914 H HIS 110 H HIS 110 -16.980 -31.580 36.461 915 HA HIS 110 HA HIS 110 -17.807 -34.381 36.131 916 HB2 HIS 110 2HB HIS 110 -16.663 -35.076 38.231 917 HB3 HIS 110 3HB HIS 110 -15.515 -34.554 37.013 918 HD1 HIS 110 HD1 HIS 110 -16.742 -33.776 40.410 919 HD2 HIS 110 HD2 HIS 110 -14.205 -32.079 37.602 920 HE1 HIS 110 HE1 HIS 110 -15.458 -32.013 41.644 921 HE2 HIS 110 HE2 HIS 110 -13.772 -31.172 39.982 922 H HIS 111 H HIS 111 -19.856 -34.539 36.818 923 HA HIS 111 HA HIS 111 -20.597 -33.649 39.501 924 HB2 HIS 111 2HB HIS 111 -22.041 -32.703 36.998 925 HB3 HIS 111 3HB HIS 111 -22.920 -32.887 38.509 926 HD1 HIS 111 HD1 HIS 111 -21.524 -30.270 36.669 927 HD2 HIS 111 HD2 HIS 111 -21.206 -31.407 40.653 928 HE1 HIS 111 HE1 HIS 111 -20.776 -28.211 37.906 929 HE2 HIS 111 HE2 HIS 111 -20.610 -28.920 40.317 930 H HIS 112 H HIS 112 -22.667 -34.703 40.187 931 HA HIS 112 HA HIS 112 -23.600 -37.009 38.697 932 HB2 HIS 112 2HB HIS 112 -21.490 -37.833 39.815 933 HB3 HIS 112 3HB HIS 112 -22.165 -37.403 41.378 934 HD1 HIS 112 HD1 HIS 112 -24.212 -38.871 42.217 935 HD2 HIS 112 HD2 HIS 112 -22.330 -40.269 38.785 936 HE1 HIS 112 HE1 HIS 112 -24.989 -41.240 41.942 937 HE2 HIS 112 HE2 HIS 112 -23.870 -42.062 39.847 Start of MODEL 4 1 H1 MET 1 1H MET 1 -6.582 -3.265 20.761 2 H2 MET 1 2H MET 1 -5.103 -3.798 21.379 3 H3 MET 1 3H MET 1 -5.999 -4.796 20.353 4 HA MET 1 HA MET 1 -5.711 -3.339 18.540 5 HB2 MET 1 2HB MET 1 -5.648 -1.178 19.622 6 HB3 MET 1 3HB MET 1 -4.226 -1.608 20.560 7 HG2 MET 1 2HG MET 1 -2.833 -1.552 18.575 8 HG3 MET 1 3HG MET 1 -4.241 -1.322 17.545 9 HE1 MET 1 3HE MET 1 -5.166 2.352 17.951 10 HE2 MET 1 1HE MET 1 -5.992 0.867 18.418 11 HE3 MET 1 2HE MET 1 -5.162 0.965 16.864 12 H LEU 2 H LEU 2 -4.391 -4.422 17.224 13 HA LEU 2 HA LEU 2 -1.698 -5.252 18.163 14 HB2 LEU 2 2HB LEU 2 -1.901 -7.184 16.555 15 HB3 LEU 2 3HB LEU 2 -2.991 -7.238 17.922 16 HG LEU 2 HG LEU 2 -4.809 -6.305 16.317 17 HD11 LEU 2 1HD1 LEU 2 -2.904 -7.285 14.172 18 HD12 LEU 2 2HD1 LEU 2 -3.402 -5.614 14.442 19 HD13 LEU 2 3HD1 LEU 2 -4.590 -6.810 13.937 20 HD21 LEU 2 3HD2 LEU 2 -3.782 -9.120 15.880 21 HD22 LEU 2 1HD2 LEU 2 -5.411 -8.535 15.519 22 HD23 LEU 2 2HD2 LEU 2 -4.841 -8.582 17.186 23 H THR 3 H THR 3 -0.018 -5.246 16.570 24 HA THR 3 HA THR 3 -0.496 -3.431 14.280 25 HB THR 3 HB THR 3 2.188 -4.040 15.593 26 HG1 THR 3 HG1 THR 3 0.254 -2.631 16.634 27 HG21 THR 3 3HG2 THR 3 1.330 -1.855 13.658 28 HG22 THR 3 1HG2 THR 3 2.365 -3.236 13.262 29 HG23 THR 3 2HG2 THR 3 2.926 -2.002 14.391 30 H VAL 4 H VAL 4 -0.591 -4.473 12.394 31 HA VAL 4 HA VAL 4 0.957 -6.941 11.933 32 HB VAL 4 HB VAL 4 -1.506 -6.942 11.362 33 HG11 VAL 4 1HG1 VAL 4 -2.315 -5.790 9.349 34 HG12 VAL 4 2HG1 VAL 4 -0.752 -4.995 9.160 35 HG13 VAL 4 3HG1 VAL 4 -1.758 -4.637 10.564 36 HG21 VAL 4 3HG2 VAL 4 -1.251 -8.067 9.172 37 HG22 VAL 4 1HG2 VAL 4 0.001 -8.556 10.315 38 HG23 VAL 4 2HG2 VAL 4 0.380 -7.410 9.028 39 H GLU 5 H GLU 5 2.519 -6.975 10.358 40 HA GLU 5 HA GLU 5 3.095 -4.524 8.809 41 HB2 GLU 5 2HB GLU 5 5.129 -6.597 9.773 42 HB3 GLU 5 3HB GLU 5 5.480 -5.144 8.841 43 HG2 GLU 5 2HG GLU 5 4.590 -3.787 10.800 44 HG3 GLU 5 3HG GLU 5 4.513 -5.294 11.709 45 H VAL 6 H VAL 6 3.748 -4.880 6.666 46 HA VAL 6 HA VAL 6 3.564 -7.550 5.498 47 HB VAL 6 HB VAL 6 1.212 -6.890 5.533 48 HG11 VAL 6 1HG1 VAL 6 1.995 -4.363 4.056 49 HG12 VAL 6 2HG1 VAL 6 1.475 -4.463 5.739 50 HG13 VAL 6 3HG1 VAL 6 0.348 -4.874 4.445 51 HG21 VAL 6 3HG2 VAL 6 2.311 -6.598 2.717 52 HG22 VAL 6 1HG2 VAL 6 0.645 -7.006 3.140 53 HG23 VAL 6 2HG2 VAL 6 1.955 -8.115 3.542 54 H GLU 7 H GLU 7 4.762 -7.750 3.692 55 HA GLU 7 HA GLU 7 6.131 -5.389 2.557 56 HB2 GLU 7 2HB GLU 7 7.653 -7.028 3.602 57 HB3 GLU 7 3HB GLU 7 6.970 -8.321 2.620 58 HG2 GLU 7 2HG GLU 7 7.810 -7.204 0.565 59 HG3 GLU 7 3HG GLU 7 8.511 -5.923 1.550 60 H VAL 8 H VAL 8 5.196 -4.795 0.712 61 HA VAL 8 HA VAL 8 4.008 -6.754 -1.145 62 HB VAL 8 HB VAL 8 3.625 -3.717 -1.117 63 HG11 VAL 8 1HG1 VAL 8 3.185 -4.750 -3.294 64 HG12 VAL 8 2HG1 VAL 8 1.682 -4.170 -2.575 65 HG13 VAL 8 3HG1 VAL 8 2.063 -5.894 -2.552 66 HG21 VAL 8 3HG2 VAL 8 1.422 -4.077 -0.053 67 HG22 VAL 8 1HG2 VAL 8 2.739 -4.620 0.990 68 HG23 VAL 8 2HG2 VAL 8 1.773 -5.800 0.105 69 H LYS 9 H LYS 9 5.618 -7.353 -2.544 70 HA LYS 9 HA LYS 9 7.575 -5.459 -3.581 71 HB2 LYS 9 2HB LYS 9 7.153 -8.447 -3.837 72 HB3 LYS 9 3HB LYS 9 8.183 -7.624 -5.006 73 HG2 LYS 9 2HG LYS 9 9.681 -6.867 -3.256 74 HG3 LYS 9 3HG LYS 9 8.613 -7.521 -1.998 75 HD2 LYS 9 2HD LYS 9 9.001 -9.827 -2.986 76 HD3 LYS 9 3HD LYS 9 10.194 -9.103 -4.068 77 HE2 LYS 9 2HE LYS 9 10.328 -9.178 -1.036 78 HE3 LYS 9 3HE LYS 9 11.296 -10.144 -2.145 79 HZ1 LYS 9 3HZ LYS 9 12.276 -8.074 -2.981 80 HZ2 LYS 9 1HZ LYS 9 12.568 -8.292 -1.335 81 HZ3 LYS 9 2HZ LYS 9 11.393 -7.192 -1.844 82 H ILE 10 H ILE 10 7.030 -4.168 -5.132 83 HA ILE 10 HA ILE 10 4.829 -4.770 -7.005 84 HB ILE 10 HB ILE 10 6.082 -2.079 -6.281 85 HG12 ILE 10 2HG1 ILE 10 3.483 -3.260 -5.193 86 HG13 ILE 10 3HG1 ILE 10 4.990 -3.144 -4.295 87 HG21 ILE 10 1HG2 ILE 10 4.073 -1.100 -7.343 88 HG22 ILE 10 2HG2 ILE 10 3.512 -2.715 -7.776 89 HG23 ILE 10 3HG2 ILE 10 4.999 -2.078 -8.482 90 HD11 ILE 10 3HD1 ILE 10 3.466 -1.403 -3.637 91 HD12 ILE 10 1HD1 ILE 10 3.349 -0.820 -5.298 92 HD13 ILE 10 2HD1 ILE 10 4.878 -0.704 -4.422 93 H THR 11 H THR 11 5.770 -5.667 -8.798 94 HA THR 11 HA THR 11 8.278 -4.651 -9.885 95 HB THR 11 HB THR 11 7.827 -7.083 -10.034 96 HG1 THR 11 HG1 THR 11 9.164 -6.593 -11.624 97 HG21 THR 11 3HG2 THR 11 5.371 -7.083 -10.353 98 HG22 THR 11 1HG2 THR 11 6.177 -7.999 -11.629 99 HG23 THR 11 2HG2 THR 11 5.575 -6.374 -11.957 100 H ALA 12 H ALA 12 8.404 -3.129 -11.404 101 HA ALA 12 HA ALA 12 6.307 -2.513 -13.307 102 HB1 ALA 12 3HB ALA 12 5.506 -1.218 -11.352 103 HB2 ALA 12 1HB ALA 12 6.061 -0.133 -12.629 104 HB3 ALA 12 2HB ALA 12 7.077 -0.428 -11.216 105 H ASP 13 H ASP 13 7.109 -1.245 -15.032 106 HA ASP 13 HA ASP 13 9.875 -1.667 -15.602 107 HB2 ASP 13 2HB ASP 13 8.102 -1.711 -17.339 108 HB3 ASP 13 3HB ASP 13 7.819 0.010 -17.110 109 H ASP 14 H ASP 14 8.005 1.136 -14.643 110 HA ASP 14 HA ASP 14 10.435 2.804 -14.304 111 HB2 ASP 14 2HB ASP 14 7.461 3.529 -14.306 112 HB3 ASP 14 3HB ASP 14 8.735 4.667 -13.888 113 H GLU 15 H GLU 15 11.143 1.636 -12.382 114 HA GLU 15 HA GLU 15 9.530 1.280 -10.071 115 HB2 GLU 15 2HB GLU 15 11.538 0.716 -8.868 116 HB3 GLU 15 3HB GLU 15 11.687 0.058 -10.486 117 HG2 GLU 15 2HG GLU 15 13.022 2.596 -9.513 118 HG3 GLU 15 3HG GLU 15 13.798 1.020 -9.608 119 H ASN 16 H ASN 16 11.436 4.005 -11.194 120 HA ASN 16 HA ASN 16 11.468 5.577 -8.854 121 HB2 ASN 16 2HB ASN 16 12.959 6.181 -10.635 122 HB3 ASN 16 3HB ASN 16 11.650 6.287 -11.799 123 HD21 ASN 16 1HD2 ASN 16 13.122 7.897 -9.014 124 HD22 ASN 16 2HD2 ASN 16 12.448 9.453 -9.332 125 H LYS 17 H LYS 17 9.306 5.821 -11.713 126 HA LYS 17 HA LYS 17 7.512 7.681 -10.576 127 HB2 LYS 17 2HB LYS 17 7.341 5.816 -12.963 128 HB3 LYS 17 3HB LYS 17 5.972 6.821 -12.508 129 HG2 LYS 17 2HG LYS 17 8.733 7.927 -13.110 130 HG3 LYS 17 3HG LYS 17 7.444 7.786 -14.311 131 HD2 LYS 17 2HD LYS 17 6.063 9.375 -13.187 132 HD3 LYS 17 3HD LYS 17 7.023 9.295 -11.708 133 HE2 LYS 17 2HE LYS 17 8.035 10.438 -14.338 134 HE3 LYS 17 3HE LYS 17 7.370 11.393 -13.008 135 HZ1 LYS 17 3HZ LYS 17 9.756 9.635 -12.814 136 HZ2 LYS 17 1HZ LYS 17 9.113 10.577 -11.570 137 HZ3 LYS 17 2HZ LYS 17 9.784 11.324 -12.931 138 H ALA 18 H ALA 18 7.555 4.145 -10.668 139 HA ALA 18 HA ALA 18 5.001 3.534 -9.763 140 HB1 ALA 18 3HB ALA 18 6.549 1.817 -10.566 141 HB2 ALA 18 1HB ALA 18 5.940 1.401 -8.965 142 HB3 ALA 18 2HB ALA 18 7.576 2.044 -9.148 143 H GLU 19 H GLU 19 7.979 4.052 -7.864 144 HA GLU 19 HA GLU 19 6.904 3.706 -5.300 145 HB2 GLU 19 2HB GLU 19 9.307 3.684 -5.692 146 HB3 GLU 19 3HB GLU 19 9.289 5.363 -6.227 147 HG2 GLU 19 2HG GLU 19 8.695 6.115 -3.979 148 HG3 GLU 19 3HG GLU 19 8.562 4.452 -3.418 149 H GLU 20 H GLU 20 7.269 6.668 -7.267 150 HA GLU 20 HA GLU 20 6.451 8.554 -5.329 151 HB2 GLU 20 2HB GLU 20 6.251 8.742 -8.361 152 HB3 GLU 20 3HB GLU 20 6.097 10.098 -7.245 153 HG2 GLU 20 2HG GLU 20 8.431 9.770 -6.501 154 HG3 GLU 20 3HG GLU 20 8.593 8.402 -7.598 155 H ILE 21 H ILE 21 4.597 6.808 -7.817 156 HA ILE 21 HA ILE 21 2.061 7.986 -7.364 157 HB ILE 21 HB ILE 21 2.746 5.225 -8.496 158 HG12 ILE 21 2HG1 ILE 21 2.016 7.783 -9.998 159 HG13 ILE 21 3HG1 ILE 21 3.653 7.177 -9.806 160 HG21 ILE 21 1HG2 ILE 21 0.421 5.232 -7.702 161 HG22 ILE 21 2HG2 ILE 21 0.467 5.191 -9.464 162 HG23 ILE 21 3HG2 ILE 21 0.090 6.697 -8.627 163 HD11 ILE 21 3HD1 ILE 21 3.045 5.159 -11.060 164 HD12 ILE 21 1HD1 ILE 21 2.806 6.636 -11.992 165 HD13 ILE 21 2HD1 ILE 21 1.417 5.804 -11.293 166 H VAL 22 H VAL 22 3.499 4.911 -6.233 167 HA VAL 22 HA VAL 22 1.365 3.946 -4.730 168 HB VAL 22 HB VAL 22 4.362 3.419 -4.469 169 HG11 VAL 22 1HG1 VAL 22 3.818 1.422 -3.116 170 HG12 VAL 22 2HG1 VAL 22 2.120 1.898 -3.091 171 HG13 VAL 22 3HG1 VAL 22 3.326 2.905 -2.293 172 HG21 VAL 22 3HG2 VAL 22 2.130 1.740 -5.680 173 HG22 VAL 22 1HG2 VAL 22 3.845 1.312 -5.641 174 HG23 VAL 22 2HG2 VAL 22 3.298 2.694 -6.590 175 H LYS 23 H LYS 23 4.149 5.941 -3.627 176 HA LYS 23 HA LYS 23 3.538 6.088 -0.900 177 HB2 LYS 23 2HB LYS 23 4.929 8.119 -2.694 178 HB3 LYS 23 3HB LYS 23 4.807 8.304 -0.947 179 HG2 LYS 23 2HG LYS 23 6.034 6.112 -0.718 180 HG3 LYS 23 3HG LYS 23 6.285 6.144 -2.462 181 HD2 LYS 23 2HD LYS 23 8.285 7.022 -1.526 182 HD3 LYS 23 3HD LYS 23 7.403 8.422 -2.132 183 HE2 LYS 23 2HE LYS 23 7.474 7.514 0.767 184 HE3 LYS 23 3HE LYS 23 8.439 8.815 0.089 185 HZ1 LYS 23 3HZ LYS 23 5.481 8.779 0.387 186 HZ2 LYS 23 1HZ LYS 23 6.336 9.995 -0.415 187 HZ3 LYS 23 2HZ LYS 23 6.579 9.737 1.237 188 H ARG 24 H ARG 24 2.796 8.438 -3.496 189 HA ARG 24 HA ARG 24 1.389 10.326 -2.015 190 HB2 ARG 24 2HB ARG 24 2.254 10.655 -4.327 191 HB3 ARG 24 3HB ARG 24 1.013 9.567 -4.940 192 HG2 ARG 24 2HG ARG 24 -0.737 11.165 -4.152 193 HG3 ARG 24 3HG ARG 24 0.536 12.268 -3.621 194 HD2 ARG 24 2HD ARG 24 0.023 11.335 -6.459 195 HD3 ARG 24 3HD ARG 24 -0.342 12.937 -5.814 196 HE ARG 24 HE ARG 24 2.144 13.171 -5.481 197 HH11 ARG 24 1HH1 ARG 24 0.910 10.994 -7.978 198 HH12 ARG 24 2HH1 ARG 24 2.335 11.114 -8.957 199 HH21 ARG 24 1HH2 ARG 24 3.975 13.347 -6.783 200 HH22 ARG 24 2HH2 ARG 24 4.086 12.461 -8.269 201 H VAL 25 H VAL 25 0.214 7.452 -3.720 202 HA VAL 25 HA VAL 25 -2.549 7.850 -3.320 203 HB VAL 25 HB VAL 25 -0.965 5.326 -3.961 204 HG11 VAL 25 1HG1 VAL 25 -3.031 4.627 -2.815 205 HG12 VAL 25 2HG1 VAL 25 -3.102 4.223 -4.530 206 HG13 VAL 25 3HG1 VAL 25 -3.991 5.620 -3.916 207 HG21 VAL 25 3HG2 VAL 25 -1.896 5.626 -6.229 208 HG22 VAL 25 1HG2 VAL 25 -1.007 7.065 -5.723 209 HG23 VAL 25 2HG2 VAL 25 -2.770 7.062 -5.688 210 H ILE 26 H ILE 26 -0.137 5.983 -1.389 211 HA ILE 26 HA ILE 26 -2.086 4.926 0.441 212 HB ILE 26 HB ILE 26 0.934 5.215 0.787 213 HG12 ILE 26 2HG1 ILE 26 -0.659 2.738 -0.004 214 HG13 ILE 26 3HG1 ILE 26 0.117 3.804 -1.168 215 HG21 ILE 26 1HG2 ILE 26 -1.014 3.503 2.385 216 HG22 ILE 26 2HG2 ILE 26 -0.166 4.931 2.982 217 HG23 ILE 26 3HG2 ILE 26 0.743 3.483 2.548 218 HD11 ILE 26 3HD1 ILE 26 1.449 1.834 -0.717 219 HD12 ILE 26 1HD1 ILE 26 1.537 2.261 0.990 220 HD13 ILE 26 2HD1 ILE 26 2.284 3.303 -0.222 221 H ASP 27 H ASP 27 -0.143 7.856 0.353 222 HA ASP 27 HA ASP 27 -0.538 8.761 2.997 223 HB2 ASP 27 2HB ASP 27 -0.030 10.304 0.418 224 HB3 ASP 27 3HB ASP 27 -0.084 11.081 1.995 225 H GLU 28 H GLU 28 -2.493 9.153 0.045 226 HA GLU 28 HA GLU 28 -4.546 10.695 1.452 227 HB2 GLU 28 2HB GLU 28 -5.612 10.927 -0.726 228 HB3 GLU 28 3HB GLU 28 -3.903 11.316 -0.852 229 HG2 GLU 28 2HG GLU 28 -3.519 8.998 -1.750 230 HG3 GLU 28 3HG GLU 28 -5.269 8.776 -1.773 231 H VAL 29 H VAL 29 -3.947 7.338 0.649 232 HA VAL 29 HA VAL 29 -6.639 6.379 0.980 233 HB VAL 29 HB VAL 29 -3.955 4.930 1.270 234 HG11 VAL 29 1HG1 VAL 29 -6.726 3.677 1.484 235 HG12 VAL 29 2HG1 VAL 29 -5.538 3.791 2.784 236 HG13 VAL 29 3HG1 VAL 29 -5.205 2.782 1.377 237 HG21 VAL 29 3HG2 VAL 29 -4.597 3.809 -0.808 238 HG22 VAL 29 1HG2 VAL 29 -4.637 5.556 -1.025 239 HG23 VAL 29 2HG2 VAL 29 -6.140 4.667 -0.816 240 H GLU 30 H GLU 30 -3.997 7.255 3.107 241 HA GLU 30 HA GLU 30 -4.762 6.132 5.526 242 HB2 GLU 30 2HB GLU 30 -2.623 7.259 5.235 243 HB3 GLU 30 3HB GLU 30 -3.421 8.807 4.981 244 HG2 GLU 30 2HG GLU 30 -4.237 8.757 7.326 245 HG3 GLU 30 3HG GLU 30 -3.412 7.220 7.577 246 H ARG 31 H ARG 31 -5.852 9.236 4.066 247 HA ARG 31 HA ARG 31 -7.440 9.977 6.359 248 HB2 ARG 31 2HB ARG 31 -8.220 11.891 5.080 249 HB3 ARG 31 3HB ARG 31 -6.484 11.722 4.872 250 HG2 ARG 31 2HG ARG 31 -6.872 10.704 2.636 251 HG3 ARG 31 3HG ARG 31 -8.608 10.932 2.853 252 HD2 ARG 31 2HD ARG 31 -6.537 13.159 2.763 253 HD3 ARG 31 3HD ARG 31 -7.602 12.696 1.434 254 HE ARG 31 HE ARG 31 -9.179 13.314 3.685 255 HH11 ARG 31 1HH1 ARG 31 -7.148 14.987 1.328 256 HH12 ARG 31 2HH1 ARG 31 -8.010 16.487 1.465 257 HH21 ARG 31 1HH2 ARG 31 -10.285 15.293 3.860 258 HH22 ARG 31 2HH2 ARG 31 -9.799 16.658 2.911 259 H GLU 32 H GLU 32 -7.987 8.046 3.518 260 HA GLU 32 HA GLU 32 -10.871 8.105 3.522 261 HB2 GLU 32 2HB GLU 32 -8.923 6.098 2.286 262 HB3 GLU 32 3HB GLU 32 -10.658 6.140 1.983 263 HG2 GLU 32 2HG GLU 32 -10.420 8.369 0.933 264 HG3 GLU 32 3HG GLU 32 -8.682 8.319 1.227 265 H VAL 33 H VAL 33 -8.332 5.991 4.736 266 HA VAL 33 HA VAL 33 -10.017 4.002 5.889 267 HB VAL 33 HB VAL 33 -7.054 4.646 6.274 268 HG11 VAL 33 1HG1 VAL 33 -6.791 2.451 7.343 269 HG12 VAL 33 2HG1 VAL 33 -8.532 2.177 7.249 270 HG13 VAL 33 3HG1 VAL 33 -7.896 3.465 8.274 271 HG21 VAL 33 3HG2 VAL 33 -7.642 3.889 4.001 272 HG22 VAL 33 1HG2 VAL 33 -8.411 2.444 4.664 273 HG23 VAL 33 2HG2 VAL 33 -6.669 2.676 4.833 274 H GLN 34 H GLN 34 -8.767 7.101 6.994 275 HA GLN 34 HA GLN 34 -9.328 6.770 9.764 276 HB2 GLN 34 2HB GLN 34 -9.231 9.306 8.084 277 HB3 GLN 34 3HB GLN 34 -9.416 9.305 9.834 278 HG2 GLN 34 2HG GLN 34 -7.023 8.353 8.249 279 HG3 GLN 34 3HG GLN 34 -7.112 9.767 9.287 280 HE21 GLN 34 1HE2 GLN 34 -5.273 7.485 9.354 281 HE22 GLN 34 2HE2 GLN 34 -5.409 6.802 10.934 282 H LYS 35 H LYS 35 -11.394 7.172 7.031 283 HA LYS 35 HA LYS 35 -13.679 8.225 8.530 284 HB2 LYS 35 2HB LYS 35 -13.447 7.419 5.593 285 HB3 LYS 35 3HB LYS 35 -14.828 8.230 6.324 286 HG2 LYS 35 2HG LYS 35 -12.033 9.383 6.092 287 HG3 LYS 35 3HG LYS 35 -13.404 9.799 5.060 288 HD2 LYS 35 2HD LYS 35 -14.572 10.853 6.872 289 HD3 LYS 35 3HD LYS 35 -13.471 10.175 8.075 290 HE2 LYS 35 2HE LYS 35 -12.721 12.249 5.988 291 HE3 LYS 35 3HE LYS 35 -13.048 12.569 7.693 292 HZ1 LYS 35 3HZ LYS 35 -10.860 10.863 6.640 293 HZ2 LYS 35 1HZ LYS 35 -11.189 11.124 8.278 294 HZ3 LYS 35 2HZ LYS 35 -10.687 12.410 7.301 295 H GLN 36 H GLN 36 -12.306 5.209 7.843 296 HA GLN 36 HA GLN 36 -14.876 3.729 8.025 297 HB2 GLN 36 2HB GLN 36 -12.156 2.727 7.035 298 HB3 GLN 36 3HB GLN 36 -13.671 1.840 6.987 299 HG2 GLN 36 2HG GLN 36 -12.991 4.317 5.381 300 HG3 GLN 36 3HG GLN 36 -13.090 2.669 4.766 301 HE21 GLN 36 1HE2 GLN 36 -15.163 1.711 4.551 302 HE22 GLN 36 2HE2 GLN 36 -16.604 2.659 4.499 303 H TYR 37 H TYR 37 -11.484 3.576 9.003 304 HA TYR 37 HA TYR 37 -12.138 2.268 11.565 305 HB2 TYR 37 2HB TYR 37 -9.509 2.002 10.036 306 HB3 TYR 37 3HB TYR 37 -10.041 1.051 11.418 307 HD1 TYR 37 HD1 TYR 37 -12.082 -0.526 11.080 308 HD2 TYR 37 HD2 TYR 37 -9.956 1.243 7.820 309 HE1 TYR 37 HE1 TYR 37 -12.998 -2.220 9.557 310 HE2 TYR 37 HE2 TYR 37 -10.871 -0.453 6.299 311 HH TYR 37 HH TYR 37 -11.815 -2.683 6.384 312 HA PRO 38 HA PRO 38 -10.365 6.420 12.671 313 HB2 PRO 38 2HB PRO 38 -11.436 6.552 15.205 314 HB3 PRO 38 3HB PRO 38 -12.362 6.940 13.744 315 HG2 PRO 38 2HG PRO 38 -12.334 4.380 15.313 316 HG3 PRO 38 3HG PRO 38 -13.724 5.283 14.667 317 HD2 PRO 38 2HD PRO 38 -12.735 3.109 13.394 318 HD3 PRO 38 3HD PRO 38 -13.408 4.489 12.495 319 H ASN 39 H ASN 39 -10.063 3.348 14.295 320 HA ASN 39 HA ASN 39 -7.864 4.136 16.035 321 HB2 ASN 39 2HB ASN 39 -9.043 1.378 15.466 322 HB3 ASN 39 3HB ASN 39 -7.876 1.749 16.735 323 HD21 ASN 39 1HD2 ASN 39 -8.589 2.800 18.602 324 HD22 ASN 39 2HD2 ASN 39 -10.257 3.032 18.969 325 H ALA 40 H ALA 40 -7.903 3.696 12.806 326 HA ALA 40 HA ALA 40 -5.731 1.838 12.413 327 HB1 ALA 40 3HB ALA 40 -5.929 2.460 10.042 328 HB2 ALA 40 1HB ALA 40 -7.042 3.763 10.468 329 HB3 ALA 40 2HB ALA 40 -7.506 2.083 10.738 330 H THR 41 H THR 41 -3.667 2.375 12.842 331 HA THR 41 HA THR 41 -2.629 5.063 12.155 332 HB THR 41 HB THR 41 -1.302 2.923 13.905 333 HG1 THR 41 HG1 THR 41 -3.399 4.366 14.549 334 HG21 THR 41 3HG2 THR 41 0.262 4.578 12.926 335 HG22 THR 41 1HG2 THR 41 0.132 4.764 14.677 336 HG23 THR 41 2HG2 THR 41 -0.704 5.892 13.607 337 H ILE 42 H ILE 42 -1.710 5.010 10.149 338 HA ILE 42 HA ILE 42 -0.683 2.445 9.059 339 HB ILE 42 HB ILE 42 -1.666 4.907 7.536 340 HG12 ILE 42 2HG1 ILE 42 -3.064 2.217 7.916 341 HG13 ILE 42 3HG1 ILE 42 -3.506 3.710 8.735 342 HG21 ILE 42 1HG2 ILE 42 -1.544 3.471 5.514 343 HG22 ILE 42 2HG2 ILE 42 -0.864 2.163 6.482 344 HG23 ILE 42 3HG2 ILE 42 0.043 3.662 6.264 345 HD11 ILE 42 3HD1 ILE 42 -4.086 4.726 6.609 346 HD12 ILE 42 1HD1 ILE 42 -4.988 3.239 6.888 347 HD13 ILE 42 2HD1 ILE 42 -3.633 3.244 5.760 348 H THR 43 H THR 43 1.463 2.343 8.963 349 HA THR 43 HA THR 43 3.053 4.764 8.382 350 HB THR 43 HB THR 43 4.024 2.115 9.551 351 HG1 THR 43 HG1 THR 43 3.000 2.939 11.248 352 HG21 THR 43 3HG2 THR 43 5.416 4.804 9.307 353 HG22 THR 43 1HG2 THR 43 5.796 3.358 8.362 354 HG23 THR 43 2HG2 THR 43 6.077 3.379 10.106 355 H ARG 44 H ARG 44 4.430 4.701 6.609 356 HA ARG 44 HA ARG 44 4.670 2.278 5.002 357 HB2 ARG 44 2HB ARG 44 4.142 3.523 2.870 358 HB3 ARG 44 3HB ARG 44 2.762 3.192 3.895 359 HG2 ARG 44 2HG ARG 44 4.124 5.900 3.857 360 HG3 ARG 44 3HG ARG 44 2.830 5.467 2.742 361 HD2 ARG 44 2HD ARG 44 1.374 4.969 4.750 362 HD3 ARG 44 3HD ARG 44 2.656 5.629 5.771 363 HE ARG 44 HE ARG 44 1.843 7.462 3.718 364 HH11 ARG 44 1HH1 ARG 44 1.006 6.268 6.920 365 HH12 ARG 44 2HH1 ARG 44 0.131 7.691 7.360 366 HH21 ARG 44 1HH2 ARG 44 0.657 9.324 4.306 367 HH22 ARG 44 2HH2 ARG 44 -0.075 9.428 5.876 368 H THR 45 H THR 45 6.668 2.031 4.339 369 HA THR 45 HA THR 45 8.385 4.318 3.697 370 HB THR 45 HB THR 45 9.291 2.088 5.579 371 HG1 THR 45 HG1 THR 45 8.213 4.608 6.019 372 HG21 THR 45 3HG2 THR 45 10.758 4.585 4.637 373 HG22 THR 45 1HG2 THR 45 11.140 2.925 4.158 374 HG23 THR 45 2HG2 THR 45 11.357 3.435 5.831 375 H LEU 46 H LEU 46 9.418 3.959 1.820 376 HA LEU 46 HA LEU 46 9.261 1.262 0.594 377 HB2 LEU 46 2HB LEU 46 9.024 3.984 -0.754 378 HB3 LEU 46 3HB LEU 46 9.102 2.453 -1.603 379 HG LEU 46 HG LEU 46 6.937 1.806 -0.371 380 HD11 LEU 46 1HD1 LEU 46 6.899 3.451 1.398 381 HD12 LEU 46 2HD1 LEU 46 5.472 3.639 0.384 382 HD13 LEU 46 3HD1 LEU 46 6.820 4.769 0.230 383 HD21 LEU 46 3HD2 LEU 46 5.512 2.966 -1.998 384 HD22 LEU 46 1HD2 LEU 46 6.982 2.340 -2.740 385 HD23 LEU 46 2HD2 LEU 46 6.840 4.063 -2.386 386 H THR 47 H THR 47 10.961 0.526 -0.612 387 HA THR 47 HA THR 47 13.243 2.249 -1.277 388 HB THR 47 HB THR 47 13.574 -0.401 0.223 389 HG1 THR 47 HG1 THR 47 14.040 2.308 0.968 390 HG21 THR 47 3HG2 THR 47 15.722 1.472 -0.841 391 HG22 THR 47 1HG2 THR 47 15.340 -0.132 -1.487 392 HG23 THR 47 2HG2 THR 47 16.003 0.034 0.136 393 H ARG 48 H ARG 48 14.109 1.660 -3.286 394 HA ARG 48 HA ARG 48 12.646 -0.352 -4.803 395 HB2 ARG 48 2HB ARG 48 14.952 1.446 -5.688 396 HB3 ARG 48 3HB ARG 48 14.064 0.354 -6.741 397 HG2 ARG 48 2HG ARG 48 13.134 2.452 -7.211 398 HG3 ARG 48 3HG ARG 48 11.965 1.733 -6.099 399 HD2 ARG 48 2HD ARG 48 12.399 4.094 -5.561 400 HD3 ARG 48 3HD ARG 48 12.912 3.034 -4.248 401 HE ARG 48 HE ARG 48 15.226 3.304 -5.144 402 HH11 ARG 48 1HH1 ARG 48 12.844 5.841 -5.758 403 HH12 ARG 48 2HH1 ARG 48 14.050 7.074 -5.951 404 HH21 ARG 48 1HH2 ARG 48 16.770 4.933 -5.407 405 HH22 ARG 48 2HH2 ARG 48 16.269 6.555 -5.750 406 H ASP 49 H ASP 49 13.188 -2.310 -4.120 407 HA ASP 49 HA ASP 49 15.820 -3.242 -3.509 408 HB2 ASP 49 2HB ASP 49 13.695 -4.234 -2.583 409 HB3 ASP 49 3HB ASP 49 13.329 -4.869 -4.184 410 H ASP 50 H ASP 50 17.019 -2.611 -5.298 411 HA ASP 50 HA ASP 50 18.159 -2.768 -7.189 412 HB2 ASP 50 2HB ASP 50 18.268 -5.192 -6.718 413 HB3 ASP 50 3HB ASP 50 16.769 -5.444 -7.609 414 H GLY 51 H GLY 51 15.066 -4.237 -8.294 415 HA2 GLY 51 2HA GLY 51 14.484 -1.818 -9.925 416 HA3 GLY 51 3HA GLY 51 14.431 -3.417 -10.655 417 H THR 52 H THR 52 13.382 -4.273 -7.820 418 HA THR 52 HA THR 52 10.527 -3.900 -8.366 419 HB THR 52 HB THR 52 11.839 -5.580 -6.185 420 HG1 THR 52 HG1 THR 52 11.286 -6.171 -8.904 421 HG21 THR 52 3HG2 THR 52 9.715 -6.823 -6.180 422 HG22 THR 52 1HG2 THR 52 9.070 -5.768 -7.435 423 HG23 THR 52 2HG2 THR 52 9.422 -5.116 -5.831 424 H VAL 53 H VAL 53 9.279 -2.484 -7.213 425 HA VAL 53 HA VAL 53 10.472 -0.781 -5.183 426 HB VAL 53 HB VAL 53 7.563 -0.825 -6.155 427 HG11 VAL 53 1HG1 VAL 53 7.830 0.285 -3.969 428 HG12 VAL 53 2HG1 VAL 53 7.434 1.468 -5.217 429 HG13 VAL 53 3HG1 VAL 53 9.093 1.322 -4.632 430 HG21 VAL 53 3HG2 VAL 53 8.189 1.088 -7.600 431 HG22 VAL 53 1HG2 VAL 53 9.066 -0.382 -8.038 432 HG23 VAL 53 2HG2 VAL 53 9.876 0.890 -7.122 433 H GLU 54 H GLU 54 10.652 -1.578 -3.193 434 HA GLU 54 HA GLU 54 8.875 -3.712 -2.246 435 HB2 GLU 54 2HB GLU 54 11.330 -4.100 -2.188 436 HB3 GLU 54 3HB GLU 54 11.520 -2.720 -1.107 437 HG2 GLU 54 2HG GLU 54 10.141 -3.860 0.599 438 HG3 GLU 54 3HG GLU 54 9.919 -5.231 -0.481 439 H LEU 55 H LEU 55 7.159 -2.858 -1.403 440 HA LEU 55 HA LEU 55 7.107 -0.377 0.155 441 HB2 LEU 55 2HB LEU 55 5.446 -0.611 -1.598 442 HB3 LEU 55 3HB LEU 55 5.012 -2.225 -1.057 443 HG LEU 55 HG LEU 55 4.020 -1.245 1.015 444 HD11 LEU 55 1HD1 LEU 55 5.327 0.781 1.215 445 HD12 LEU 55 2HD1 LEU 55 3.609 1.157 1.184 446 HD13 LEU 55 3HD1 LEU 55 4.595 1.437 -0.252 447 HD21 LEU 55 3HD2 LEU 55 2.587 -1.759 -0.890 448 HD22 LEU 55 1HD2 LEU 55 2.869 -0.155 -1.571 449 HD23 LEU 55 2HD2 LEU 55 2.000 -0.330 -0.042 450 H ARG 56 H ARG 56 7.296 -0.542 2.380 451 HA ARG 56 HA ARG 56 6.243 -2.987 3.706 452 HB2 ARG 56 2HB ARG 56 8.342 -1.015 4.701 453 HB3 ARG 56 3HB ARG 56 7.593 -2.229 5.729 454 HG2 ARG 56 2HG ARG 56 9.709 -3.106 5.091 455 HG3 ARG 56 3HG ARG 56 8.509 -3.998 4.152 456 HD2 ARG 56 2HD ARG 56 10.534 -3.354 2.841 457 HD3 ARG 56 3HD ARG 56 9.041 -2.698 2.162 458 HE ARG 56 HE ARG 56 9.770 -0.639 3.636 459 HH11 ARG 56 1HH1 ARG 56 11.881 -2.610 1.625 460 HH12 ARG 56 2HH1 ARG 56 13.002 -1.318 1.352 461 HH21 ARG 56 1HH2 ARG 56 11.266 0.996 3.349 462 HH22 ARG 56 2HH2 ARG 56 12.653 0.746 2.341 463 H ILE 57 H ILE 57 4.198 -2.601 4.176 464 HA ILE 57 HA ILE 57 3.320 -0.044 5.339 465 HB ILE 57 HB ILE 57 1.742 -2.467 4.362 466 HG12 ILE 57 2HG1 ILE 57 2.691 -0.989 2.564 467 HG13 ILE 57 3HG1 ILE 57 0.932 -1.053 2.558 468 HG21 ILE 57 1HG2 ILE 57 0.558 -1.506 6.268 469 HG22 ILE 57 2HG2 ILE 57 -0.319 -1.143 4.781 470 HG23 ILE 57 3HG2 ILE 57 0.661 0.105 5.555 471 HD11 ILE 57 3HD1 ILE 57 1.780 1.182 2.154 472 HD12 ILE 57 1HD1 ILE 57 2.595 1.177 3.714 473 HD13 ILE 57 2HD1 ILE 57 0.830 1.122 3.636 474 H LYS 58 H LYS 58 2.820 0.099 7.443 475 HA LYS 58 HA LYS 58 2.689 -2.318 9.138 476 HB2 LYS 58 2HB LYS 58 4.866 -1.089 9.373 477 HB3 LYS 58 3HB LYS 58 3.985 0.365 9.819 478 HG2 LYS 58 2HG LYS 58 3.197 -0.665 11.865 479 HG3 LYS 58 3HG LYS 58 3.882 -2.224 11.387 480 HD2 LYS 58 2HD LYS 58 6.173 -1.141 11.427 481 HD3 LYS 58 3HD LYS 58 5.419 0.310 12.092 482 HE2 LYS 58 2HE LYS 58 4.715 -0.920 14.073 483 HE3 LYS 58 3HE LYS 58 5.317 -2.431 13.386 484 HZ1 LYS 58 3HZ LYS 58 6.865 -1.539 14.983 485 HZ2 LYS 58 1HZ LYS 58 6.970 -0.077 14.131 486 HZ3 LYS 58 2HZ LYS 58 7.555 -1.503 13.440 487 H VAL 59 H VAL 59 0.536 -2.436 9.521 488 HA VAL 59 HA VAL 59 -1.014 0.022 10.096 489 HB VAL 59 HB VAL 59 -2.063 -2.740 9.315 490 HG11 VAL 59 1HG1 VAL 59 -4.273 -1.635 9.130 491 HG12 VAL 59 2HG1 VAL 59 -3.572 -0.132 9.734 492 HG13 VAL 59 3HG1 VAL 59 -3.644 -1.553 10.777 493 HG21 VAL 59 3HG2 VAL 59 -2.714 -1.692 7.170 494 HG22 VAL 59 1HG2 VAL 59 -0.966 -1.653 7.414 495 HG23 VAL 59 2HG2 VAL 59 -1.924 -0.193 7.666 496 H LYS 60 H LYS 60 -0.991 0.371 12.231 497 HA LYS 60 HA LYS 60 -1.490 -1.786 14.147 498 HB2 LYS 60 2HB LYS 60 0.174 0.061 14.631 499 HB3 LYS 60 3HB LYS 60 -1.161 1.205 14.634 500 HG2 LYS 60 2HG LYS 60 -2.208 -0.014 16.516 501 HG3 LYS 60 3HG LYS 60 -0.859 -1.154 16.516 502 HD2 LYS 60 2HD LYS 60 -0.552 0.487 18.298 503 HD3 LYS 60 3HD LYS 60 0.694 0.719 17.066 504 HE2 LYS 60 2HE LYS 60 -0.574 2.614 16.129 505 HE3 LYS 60 3HE LYS 60 -1.854 2.354 17.316 506 HZ1 LYS 60 3HZ LYS 60 -0.306 2.866 19.073 507 HZ2 LYS 60 1HZ LYS 60 -0.368 4.141 17.972 508 HZ3 LYS 60 2HZ LYS 60 0.950 3.084 17.965 509 H ALA 61 H ALA 61 -3.587 -2.352 14.307 510 HA ALA 61 HA ALA 61 -5.736 -0.309 14.282 511 HB1 ALA 61 3HB ALA 61 -5.816 -2.925 12.728 512 HB2 ALA 61 1HB ALA 61 -5.658 -1.314 12.023 513 HB3 ALA 61 2HB ALA 61 -7.142 -1.766 12.870 514 H ASP 62 H ASP 62 -7.852 -1.434 15.001 515 HA ASP 62 HA ASP 62 -7.684 -2.310 17.625 516 HB2 ASP 62 2HB ASP 62 -9.736 -1.340 16.842 517 HB3 ASP 62 3HB ASP 62 -9.884 -2.510 15.536 518 H THR 63 H THR 63 -8.595 -4.317 14.819 519 HA THR 63 HA THR 63 -7.318 -6.696 16.024 520 HB THR 63 HB THR 63 -9.337 -8.027 15.048 521 HG1 THR 63 HG1 THR 63 -10.804 -5.647 15.474 522 HG21 THR 63 3HG2 THR 63 -9.842 -6.285 17.494 523 HG22 THR 63 1HG2 THR 63 -8.965 -7.822 17.486 524 HG23 THR 63 2HG2 THR 63 -10.681 -7.783 17.090 525 H GLU 64 H GLU 64 -7.150 -8.511 14.314 526 HA GLU 64 HA GLU 64 -5.666 -7.425 12.148 527 HB2 GLU 64 2HB GLU 64 -5.107 -9.664 11.501 528 HB3 GLU 64 3HB GLU 64 -5.098 -9.609 13.260 529 HG2 GLU 64 2HG GLU 64 -7.089 -10.861 13.440 530 HG3 GLU 64 3HG GLU 64 -7.539 -10.576 11.763 531 H GLU 65 H GLU 65 -8.977 -8.588 12.415 532 HA GLU 65 HA GLU 65 -9.669 -9.013 9.755 533 HB2 GLU 65 2HB GLU 65 -11.153 -9.454 11.709 534 HB3 GLU 65 3HB GLU 65 -11.333 -7.722 11.962 535 HG2 GLU 65 2HG GLU 65 -13.319 -8.619 10.872 536 HG3 GLU 65 3HG GLU 65 -12.481 -7.511 9.791 537 H LYS 66 H LYS 66 -9.688 -6.006 11.627 538 HA LYS 66 HA LYS 66 -10.458 -4.267 9.509 539 HB2 LYS 66 2HB LYS 66 -9.080 -3.645 12.163 540 HB3 LYS 66 3HB LYS 66 -9.812 -2.451 11.091 541 HG2 LYS 66 2HG LYS 66 -12.015 -3.616 11.379 542 HG3 LYS 66 3HG LYS 66 -11.256 -4.671 12.576 543 HD2 LYS 66 2HD LYS 66 -10.805 -2.761 14.033 544 HD3 LYS 66 3HD LYS 66 -11.399 -1.638 12.804 545 HE2 LYS 66 2HE LYS 66 -13.650 -2.654 12.991 546 HE3 LYS 66 3HE LYS 66 -13.047 -3.735 14.248 547 HZ1 LYS 66 3HZ LYS 66 -14.201 -1.808 15.150 548 HZ2 LYS 66 1HZ LYS 66 -13.083 -0.777 14.415 549 HZ3 LYS 66 2HZ LYS 66 -12.584 -1.838 15.633 550 H ALA 67 H ALA 67 -7.361 -5.190 10.949 551 HA ALA 67 HA ALA 67 -5.703 -3.302 9.680 552 HB1 ALA 67 3HB ALA 67 -3.858 -4.678 10.483 553 HB2 ALA 67 1HB ALA 67 -4.957 -6.033 10.770 554 HB3 ALA 67 2HB ALA 67 -5.105 -4.555 11.721 555 H LYS 68 H LYS 68 -6.493 -6.655 8.750 556 HA LYS 68 HA LYS 68 -4.791 -6.835 6.478 557 HB2 LYS 68 2HB LYS 68 -7.293 -8.445 7.167 558 HB3 LYS 68 3HB LYS 68 -6.146 -8.861 5.901 559 HG2 LYS 68 2HG LYS 68 -5.512 -8.761 8.863 560 HG3 LYS 68 3HG LYS 68 -5.873 -10.221 7.942 561 HD2 LYS 68 2HD LYS 68 -3.877 -9.857 6.553 562 HD3 LYS 68 3HD LYS 68 -3.513 -8.371 7.442 563 HE2 LYS 68 2HE LYS 68 -2.157 -10.284 8.224 564 HE3 LYS 68 3HE LYS 68 -3.196 -9.657 9.505 565 HZ1 LYS 68 3HZ LYS 68 -3.131 -12.114 9.336 566 HZ2 LYS 68 1HZ LYS 68 -3.867 -12.014 7.821 567 HZ3 LYS 68 2HZ LYS 68 -4.692 -11.480 9.198 568 H SER 69 H SER 69 -8.125 -5.816 7.023 569 HA SER 69 HA SER 69 -8.992 -5.654 4.334 570 HB2 SER 69 2HB SER 69 -10.583 -5.641 6.222 571 HB3 SER 69 3HB SER 69 -9.952 -4.087 6.771 572 HG SER 69 HG SER 69 -11.560 -4.695 4.537 573 H ILE 70 H ILE 70 -7.450 -3.313 6.534 574 HA ILE 70 HA ILE 70 -7.453 -1.033 4.868 575 HB ILE 70 HB ILE 70 -5.506 -1.852 7.075 576 HG12 ILE 70 2HG1 ILE 70 -7.853 0.101 7.186 577 HG13 ILE 70 3HG1 ILE 70 -7.954 -1.580 7.684 578 HG21 ILE 70 1HG2 ILE 70 -4.831 0.533 7.207 579 HG22 ILE 70 2HG2 ILE 70 -5.820 0.891 5.790 580 HG23 ILE 70 3HG2 ILE 70 -4.419 -0.171 5.640 581 HD11 ILE 70 3HD1 ILE 70 -7.721 -0.093 9.575 582 HD12 ILE 70 1HD1 ILE 70 -6.186 0.506 8.943 583 HD13 ILE 70 2HD1 ILE 70 -6.341 -1.181 9.444 584 H ILE 71 H ILE 71 -5.056 -3.651 5.275 585 HA ILE 71 HA ILE 71 -3.113 -2.814 3.418 586 HB ILE 71 HB ILE 71 -3.915 -5.666 4.169 587 HG12 ILE 71 2HG1 ILE 71 -1.637 -3.978 5.308 588 HG13 ILE 71 3HG1 ILE 71 -3.197 -4.189 6.094 589 HG21 ILE 71 1HG2 ILE 71 -1.352 -4.720 2.831 590 HG22 ILE 71 2HG2 ILE 71 -2.626 -5.675 2.070 591 HG23 ILE 71 3HG2 ILE 71 -1.673 -6.366 3.385 592 HD11 ILE 71 3HD1 ILE 71 -1.517 -5.628 7.074 593 HD12 ILE 71 1HD1 ILE 71 -1.214 -6.388 5.511 594 HD13 ILE 71 2HD1 ILE 71 -2.782 -6.582 6.302 595 H LYS 72 H LYS 72 -6.095 -4.720 3.025 596 HA LYS 72 HA LYS 72 -5.745 -5.533 0.347 597 HB2 LYS 72 2HB LYS 72 -7.392 -6.427 2.172 598 HB3 LYS 72 3HB LYS 72 -8.468 -5.140 1.667 599 HG2 LYS 72 2HG LYS 72 -7.418 -7.235 -0.257 600 HG3 LYS 72 3HG LYS 72 -8.882 -7.475 0.691 601 HD2 LYS 72 2HD LYS 72 -9.933 -5.544 -0.412 602 HD3 LYS 72 3HD LYS 72 -8.444 -5.227 -1.311 603 HE2 LYS 72 2HE LYS 72 -10.164 -7.726 -1.557 604 HE3 LYS 72 3HE LYS 72 -10.105 -6.392 -2.712 605 HZ1 LYS 72 3HZ LYS 72 -7.861 -8.203 -2.014 606 HZ2 LYS 72 1HZ LYS 72 -7.742 -6.877 -3.050 607 HZ3 LYS 72 2HZ LYS 72 -8.724 -8.186 -3.466 608 H LEU 73 H LEU 73 -7.455 -2.740 1.795 609 HA LEU 73 HA LEU 73 -8.430 -1.547 -0.548 610 HB2 LEU 73 2HB LEU 73 -7.791 -0.511 2.212 611 HB3 LEU 73 3HB LEU 73 -8.041 0.669 0.937 612 HG LEU 73 HG LEU 73 -10.326 -0.238 0.539 613 HD11 LEU 73 1HD1 LEU 73 -11.382 -1.788 2.083 614 HD12 LEU 73 2HD1 LEU 73 -9.857 -2.003 2.944 615 HD13 LEU 73 3HD1 LEU 73 -10.012 -2.546 1.272 616 HD21 LEU 73 3HD2 LEU 73 -11.358 0.688 2.577 617 HD22 LEU 73 1HD2 LEU 73 -10.011 1.679 2.018 618 HD23 LEU 73 2HD2 LEU 73 -9.797 0.607 3.402 619 H ILE 74 H ILE 74 -5.345 -1.004 1.199 620 HA ILE 74 HA ILE 74 -4.168 0.916 -0.435 621 HB ILE 74 HB ILE 74 -2.888 -1.293 1.245 622 HG12 ILE 74 2HG1 ILE 74 -3.225 1.698 1.785 623 HG13 ILE 74 3HG1 ILE 74 -4.225 0.427 2.472 624 HG21 ILE 74 1HG2 ILE 74 -0.745 -0.058 1.136 625 HG22 ILE 74 2HG2 ILE 74 -1.447 1.051 -0.041 626 HG23 ILE 74 3HG2 ILE 74 -1.235 -0.650 -0.455 627 HD11 ILE 74 3HD1 ILE 74 -1.288 0.873 3.005 628 HD12 ILE 74 1HD1 ILE 74 -2.255 -0.456 3.655 629 HD13 ILE 74 2HD1 ILE 74 -2.635 1.209 4.094 630 H GLU 75 H GLU 75 -4.056 -2.644 -0.743 631 HA GLU 75 HA GLU 75 -2.322 -2.917 -2.932 632 HB2 GLU 75 2HB GLU 75 -4.708 -4.618 -2.111 633 HB3 GLU 75 3HB GLU 75 -3.537 -5.109 -3.331 634 HG2 GLU 75 2HG GLU 75 -1.761 -5.197 -1.678 635 HG3 GLU 75 3HG GLU 75 -2.835 -4.532 -0.442 636 H GLU 76 H GLU 76 -5.874 -2.586 -2.869 637 HA GLU 76 HA GLU 76 -6.311 -2.782 -5.654 638 HB2 GLU 76 2HB GLU 76 -8.038 -1.294 -3.627 639 HB3 GLU 76 3HB GLU 76 -8.555 -1.877 -5.203 640 HG2 GLU 76 2HG GLU 76 -7.913 -3.480 -2.734 641 HG3 GLU 76 3HG GLU 76 -9.449 -3.356 -3.576 642 H ARG 77 H ARG 77 -5.650 -0.041 -3.545 643 HA ARG 77 HA ARG 77 -6.421 2.013 -5.380 644 HB2 ARG 77 2HB ARG 77 -4.720 2.126 -2.857 645 HB3 ARG 77 3HB ARG 77 -5.356 3.534 -3.699 646 HG2 ARG 77 2HG ARG 77 -7.032 1.382 -2.382 647 HG3 ARG 77 3HG ARG 77 -6.661 2.949 -1.681 648 HD2 ARG 77 2HD ARG 77 -7.879 4.049 -3.525 649 HD3 ARG 77 3HD ARG 77 -8.251 2.467 -4.221 650 HE ARG 77 HE ARG 77 -9.272 3.527 -1.657 651 HH11 ARG 77 1HH1 ARG 77 -9.592 1.250 -4.334 652 HH12 ARG 77 2HH1 ARG 77 -11.137 0.668 -3.803 653 HH21 ARG 77 1HH2 ARG 77 -11.255 2.744 -0.963 654 HH22 ARG 77 2HH2 ARG 77 -12.086 1.526 -1.877 655 H ILE 78 H ILE 78 -3.254 0.789 -4.227 656 HA ILE 78 HA ILE 78 -1.677 2.562 -5.789 657 HB ILE 78 HB ILE 78 0.281 1.186 -5.188 658 HG12 ILE 78 2HG1 ILE 78 -1.731 -0.796 -4.020 659 HG13 ILE 78 3HG1 ILE 78 -0.661 -1.081 -5.381 660 HG21 ILE 78 1HG2 ILE 78 0.165 1.425 -2.738 661 HG22 ILE 78 2HG2 ILE 78 -1.589 1.592 -2.830 662 HG23 ILE 78 3HG2 ILE 78 -0.547 2.821 -3.552 663 HD11 ILE 78 3HD1 ILE 78 0.187 -0.702 -2.507 664 HD12 ILE 78 1HD1 ILE 78 1.276 -0.940 -3.878 665 HD13 ILE 78 2HD1 ILE 78 0.149 -2.212 -3.417 666 H GLU 79 H GLU 79 -2.896 -0.728 -6.324 667 HA GLU 79 HA GLU 79 -1.551 -1.379 -8.699 668 HB2 GLU 79 2HB GLU 79 -2.960 -2.995 -7.404 669 HB3 GLU 79 3HB GLU 79 -4.405 -2.123 -7.910 670 HG2 GLU 79 2HG GLU 79 -3.610 -2.626 -10.342 671 HG3 GLU 79 3HG GLU 79 -2.543 -3.814 -9.603 672 H GLU 80 H GLU 80 -4.774 0.063 -8.219 673 HA GLU 80 HA GLU 80 -5.522 0.146 -10.910 674 HB2 GLU 80 2HB GLU 80 -7.127 0.182 -9.067 675 HB3 GLU 80 3HB GLU 80 -6.542 1.751 -8.531 676 HG2 GLU 80 2HG GLU 80 -8.723 1.868 -9.721 677 HG3 GLU 80 3HG GLU 80 -7.465 2.838 -10.480 678 H GLU 81 H GLU 81 -3.893 2.632 -8.955 679 HA GLU 81 HA GLU 81 -4.137 4.683 -10.994 680 HB2 GLU 81 2HB GLU 81 -2.529 4.673 -8.408 681 HB3 GLU 81 3HB GLU 81 -2.833 6.082 -9.418 682 HG2 GLU 81 2HG GLU 81 -4.830 4.504 -7.787 683 HG3 GLU 81 3HG GLU 81 -4.338 6.176 -7.550 684 H LEU 82 H LEU 82 -1.528 2.607 -9.690 685 HA LEU 82 HA LEU 82 0.615 3.733 -11.187 686 HB2 LEU 82 2HB LEU 82 0.494 1.986 -9.124 687 HB3 LEU 82 3HB LEU 82 0.696 0.821 -10.409 688 HG LEU 82 HG LEU 82 2.638 2.993 -9.546 689 HD11 LEU 82 1HD1 LEU 82 4.114 1.131 -9.004 690 HD12 LEU 82 2HD1 LEU 82 2.897 -0.024 -9.549 691 HD13 LEU 82 3HD1 LEU 82 2.584 0.997 -8.143 692 HD21 LEU 82 3HD2 LEU 82 2.755 2.896 -11.982 693 HD22 LEU 82 1HD2 LEU 82 2.957 1.144 -11.932 694 HD23 LEU 82 2HD2 LEU 82 4.208 2.201 -11.269 695 H ARG 83 H ARG 83 -1.717 1.213 -11.822 696 HA ARG 83 HA ARG 83 -0.416 -0.080 -13.995 697 HB2 ARG 83 2HB ARG 83 -2.133 -1.074 -12.438 698 HB3 ARG 83 3HB ARG 83 -3.367 -0.128 -13.259 699 HG2 ARG 83 2HG ARG 83 -2.926 -1.360 -15.348 700 HG3 ARG 83 3HG ARG 83 -1.653 -2.283 -14.541 701 HD2 ARG 83 2HD ARG 83 -3.339 -3.174 -12.943 702 HD3 ARG 83 3HD ARG 83 -4.601 -2.285 -13.802 703 HE ARG 83 HE ARG 83 -3.474 -3.803 -15.741 704 HH11 ARG 83 1HH1 ARG 83 -4.877 -4.614 -12.598 705 HH12 ARG 83 2HH1 ARG 83 -5.375 -6.198 -13.104 706 HH21 ARG 83 1HH2 ARG 83 -4.100 -5.870 -16.379 707 HH22 ARG 83 2HH2 ARG 83 -4.929 -6.915 -15.269 708 H LYS 84 H LYS 84 -2.567 2.680 -13.785 709 HA LYS 84 HA LYS 84 -3.327 2.905 -16.516 710 HB2 LYS 84 2HB LYS 84 -2.955 5.077 -14.409 711 HB3 LYS 84 3HB LYS 84 -3.707 5.337 -15.980 712 HG2 LYS 84 2HG LYS 84 -5.501 3.720 -15.355 713 HG3 LYS 84 3HG LYS 84 -4.765 3.563 -13.757 714 HD2 LYS 84 2HD LYS 84 -5.123 5.988 -13.358 715 HD3 LYS 84 3HD LYS 84 -5.854 6.143 -14.958 716 HE2 LYS 84 2HE LYS 84 -7.618 6.042 -13.309 717 HE3 LYS 84 3HE LYS 84 -7.637 4.536 -14.227 718 HZ1 LYS 84 3HZ LYS 84 -6.408 4.889 -11.542 719 HZ2 LYS 84 1HZ LYS 84 -6.484 3.445 -12.423 720 HZ3 LYS 84 2HZ LYS 84 -7.900 4.164 -11.854 721 H ARG 85 H ARG 85 -0.425 3.738 -14.751 722 HA ARG 85 HA ARG 85 0.738 5.274 -16.981 723 HB2 ARG 85 2HB ARG 85 1.748 4.841 -14.130 724 HB3 ARG 85 3HB ARG 85 2.462 5.923 -15.320 725 HG2 ARG 85 2HG ARG 85 -0.305 6.210 -14.114 726 HG3 ARG 85 3HG ARG 85 1.118 7.152 -13.667 727 HD2 ARG 85 2HD ARG 85 1.210 8.147 -15.893 728 HD3 ARG 85 3HD ARG 85 -0.128 7.129 -16.439 729 HE ARG 85 HE ARG 85 -1.358 8.340 -14.505 730 HH11 ARG 85 1HH1 ARG 85 0.975 9.840 -16.678 731 HH12 ARG 85 2HH1 ARG 85 0.231 11.405 -16.579 732 HH21 ARG 85 1HH2 ARG 85 -2.390 10.338 -14.496 733 HH22 ARG 85 2HH2 ARG 85 -1.686 11.684 -15.330 734 H ASP 86 H ASP 86 0.898 2.174 -15.450 735 HA ASP 86 HA ASP 86 3.208 1.331 -17.062 736 HB2 ASP 86 2HB ASP 86 3.908 2.151 -14.672 737 HB3 ASP 86 3HB ASP 86 3.112 0.700 -14.079 738 HA PRO 87 HA PRO 87 -0.088 -1.933 -17.247 739 HB2 PRO 87 2HB PRO 87 0.919 -3.139 -19.543 740 HB3 PRO 87 3HB PRO 87 -0.154 -1.727 -19.558 741 HG2 PRO 87 2HG PRO 87 2.837 -1.805 -19.794 742 HG3 PRO 87 3HG PRO 87 1.661 -0.873 -20.750 743 HD2 PRO 87 2HD PRO 87 3.047 0.285 -18.757 744 HD3 PRO 87 3HD PRO 87 1.349 0.722 -19.061 745 H ASN 88 H ASN 88 3.414 -2.209 -17.037 746 HA ASN 88 HA ASN 88 3.359 -5.081 -16.453 747 HB2 ASN 88 2HB ASN 88 5.683 -3.100 -16.457 748 HB3 ASN 88 3HB ASN 88 5.848 -4.822 -16.135 749 HD21 ASN 88 1HD2 ASN 88 3.873 -5.583 -18.224 750 HD22 ASN 88 2HD2 ASN 88 4.686 -5.340 -19.726 751 H ALA 89 H ALA 89 2.590 -2.362 -14.717 752 HA ALA 89 HA ALA 89 3.748 -2.862 -12.187 753 HB1 ALA 89 3HB ALA 89 2.762 -0.683 -12.745 754 HB2 ALA 89 1HB ALA 89 2.036 -1.347 -11.281 755 HB3 ALA 89 2HB ALA 89 1.155 -1.409 -12.812 756 H THR 90 H THR 90 3.529 -4.751 -11.203 757 HA THR 90 HA THR 90 0.846 -5.802 -10.591 758 HB THR 90 HB THR 90 3.275 -7.496 -11.343 759 HG1 THR 90 HG1 THR 90 1.141 -6.533 -12.804 760 HG21 THR 90 3HG2 THR 90 0.473 -8.364 -10.528 761 HG22 THR 90 1HG2 THR 90 1.946 -8.598 -9.574 762 HG23 THR 90 2HG2 THR 90 1.741 -9.440 -11.110 763 H ILE 91 H ILE 91 0.600 -5.948 -8.449 764 HA ILE 91 HA ILE 91 2.933 -5.639 -6.678 765 HB ILE 91 HB ILE 91 1.480 -4.824 -4.956 766 HG12 ILE 91 2HG1 ILE 91 -0.487 -6.381 -5.340 767 HG13 ILE 91 3HG1 ILE 91 -0.933 -4.725 -4.974 768 HG21 ILE 91 1HG2 ILE 91 0.462 -2.818 -6.013 769 HG22 ILE 91 2HG2 ILE 91 0.651 -3.571 -7.599 770 HG23 ILE 91 3HG2 ILE 91 2.074 -3.166 -6.641 771 HD11 ILE 91 3HD1 ILE 91 -2.371 -5.647 -6.659 772 HD12 ILE 91 1HD1 ILE 91 -0.994 -6.038 -7.686 773 HD13 ILE 91 2HD1 ILE 91 -1.406 -4.351 -7.361 774 H THR 92 H THR 92 3.481 -7.151 -5.179 775 HA THR 92 HA THR 92 1.861 -9.626 -4.967 776 HB THR 92 HB THR 92 4.915 -9.449 -4.870 777 HG1 THR 92 HG1 THR 92 4.163 -9.104 -6.985 778 HG21 THR 92 3HG2 THR 92 4.835 -11.915 -4.984 779 HG22 THR 92 1HG2 THR 92 3.074 -11.880 -4.987 780 HG23 THR 92 2HG2 THR 92 3.965 -11.347 -3.557 781 H ARG 93 H ARG 93 0.990 -9.588 -3.009 782 HA ARG 93 HA ARG 93 2.260 -8.065 -0.829 783 HB2 ARG 93 2HB ARG 93 0.013 -7.340 -1.559 784 HB3 ARG 93 3HB ARG 93 -0.643 -8.933 -1.219 785 HG2 ARG 93 2HG ARG 93 0.694 -7.435 1.020 786 HG3 ARG 93 3HG ARG 93 -0.898 -6.896 0.505 787 HD2 ARG 93 2HD ARG 93 -0.272 -9.744 1.357 788 HD3 ARG 93 3HD ARG 93 -0.892 -8.508 2.451 789 HE ARG 93 HE ARG 93 -2.919 -8.422 1.148 790 HH11 ARG 93 1HH1 ARG 93 -0.873 -11.198 0.419 791 HH12 ARG 93 2HH1 ARG 93 -2.179 -12.125 -0.246 792 HH21 ARG 93 1HH2 ARG 93 -4.600 -9.636 0.314 793 HH22 ARG 93 2HH2 ARG 93 -4.310 -11.231 -0.302 794 H THR 94 H THR 94 3.457 -9.330 0.456 795 HA THR 94 HA THR 94 2.315 -11.883 1.450 796 HB THR 94 HB THR 94 5.228 -10.972 1.377 797 HG1 THR 94 HG1 THR 94 4.069 -13.174 -0.005 798 HG21 THR 94 3HG2 THR 94 4.833 -12.395 3.352 799 HG22 THR 94 1HG2 THR 94 5.778 -13.266 2.138 800 HG23 THR 94 2HG2 THR 94 4.062 -13.615 2.336 801 H VAL 95 H VAL 95 1.538 -11.741 3.447 802 HA VAL 95 HA VAL 95 1.902 -9.402 5.071 803 HB VAL 95 HB VAL 95 -0.267 -10.476 5.130 804 HG11 VAL 95 1HG1 VAL 95 1.069 -12.964 6.227 805 HG12 VAL 95 2HG1 VAL 95 0.354 -12.786 4.625 806 HG13 VAL 95 3HG1 VAL 95 -0.672 -12.720 6.060 807 HG21 VAL 95 3HG2 VAL 95 1.127 -10.815 7.812 808 HG22 VAL 95 1HG2 VAL 95 -0.618 -10.665 7.575 809 HG23 VAL 95 2HG2 VAL 95 0.447 -9.315 7.179 810 H ARG 96 H ARG 96 3.396 -9.072 6.557 811 HA ARG 96 HA ARG 96 5.633 -10.889 6.703 812 HB2 ARG 96 2HB ARG 96 5.691 -8.297 6.477 813 HB3 ARG 96 3HB ARG 96 5.346 -8.252 8.202 814 HG2 ARG 96 2HG ARG 96 7.714 -7.999 7.896 815 HG3 ARG 96 3HG ARG 96 7.428 -9.597 8.589 816 HD2 ARG 96 2HD ARG 96 7.640 -10.601 6.318 817 HD3 ARG 96 3HD ARG 96 7.969 -8.994 5.653 818 HE ARG 96 HE ARG 96 9.706 -9.997 7.784 819 HH11 ARG 96 1HH1 ARG 96 9.344 -9.382 4.323 820 HH12 ARG 96 2HH1 ARG 96 11.047 -9.471 4.013 821 HH21 ARG 96 1HH2 ARG 96 11.916 -10.092 7.359 822 HH22 ARG 96 2HH2 ARG 96 12.504 -9.879 5.745 823 H THR 97 H THR 97 3.257 -9.518 8.971 824 HA THR 97 HA THR 97 4.172 -10.960 11.277 825 HB THR 97 HB THR 97 1.441 -9.660 10.814 826 HG1 THR 97 HG1 THR 97 3.803 -8.557 11.969 827 HG21 THR 97 3HG2 THR 97 1.488 -11.173 12.783 828 HG22 THR 97 1HG2 THR 97 1.335 -9.480 13.265 829 HG23 THR 97 2HG2 THR 97 2.888 -10.301 13.415 830 H GLU 98 H GLU 98 3.968 -13.116 11.451 831 HA GLU 98 HA GLU 98 1.681 -14.569 10.232 832 HB2 GLU 98 2HB GLU 98 4.575 -15.422 10.701 833 HB3 GLU 98 3HB GLU 98 3.304 -16.598 10.398 834 HG2 GLU 98 2HG GLU 98 4.095 -14.363 8.508 835 HG3 GLU 98 3HG GLU 98 4.614 -16.044 8.365 836 H VAL 99 H VAL 99 0.311 -14.361 11.984 837 HA VAL 99 HA VAL 99 1.148 -15.533 14.575 838 HB VAL 99 HB VAL 99 -0.877 -14.394 15.546 839 HG11 VAL 99 1HG1 VAL 99 0.112 -12.126 15.585 840 HG12 VAL 99 2HG1 VAL 99 1.134 -12.545 14.207 841 HG13 VAL 99 3HG1 VAL 99 1.346 -13.377 15.748 842 HG21 VAL 99 3HG2 VAL 99 -2.237 -14.186 13.498 843 HG22 VAL 99 1HG2 VAL 99 -1.077 -13.042 12.820 844 HG23 VAL 99 2HG2 VAL 99 -2.017 -12.606 14.251 845 H GLY 100 H GLY 100 -0.179 -17.016 15.605 846 HA2 GLY 100 2HA GLY 100 -2.574 -18.168 14.892 847 HA3 GLY 100 3HA GLY 100 -1.374 -18.992 13.892 848 H SER 101 H SER 101 -3.047 -19.919 16.246 849 HA SER 101 HA SER 101 -1.097 -21.564 17.530 850 HB2 SER 101 2HB SER 101 -1.524 -20.668 19.900 851 HB3 SER 101 3HB SER 101 -0.542 -19.628 18.875 852 HG SER 101 HG SER 101 -2.381 -18.364 18.486 853 H SER 102 H SER 102 -2.152 -23.434 17.906 854 HA SER 102 HA SER 102 -4.687 -23.620 19.202 855 HB2 SER 102 2HB SER 102 -5.425 -23.019 16.861 856 HB3 SER 102 3HB SER 102 -4.639 -24.479 16.265 857 HG SER 102 HG SER 102 -6.626 -25.192 16.610 858 H TRP 103 H TRP 103 -3.679 -25.023 20.617 859 HA TRP 103 HA TRP 103 -3.544 -27.771 19.665 860 HB2 TRP 103 2HB TRP 103 -1.151 -26.963 19.600 861 HB3 TRP 103 3HB TRP 103 -1.242 -26.632 21.325 862 HD1 TRP 103 HD1 TRP 103 -2.751 -29.867 19.861 863 HE1 TRP 103 HE1 TRP 103 -1.386 -31.878 20.681 864 HE3 TRP 103 HE3 TRP 103 1.095 -27.376 22.162 865 HZ2 TRP 103 HZ2 TRP 103 0.999 -32.366 22.088 866 HZ3 TRP 103 HZ3 TRP 103 2.883 -28.702 23.216 867 HH2 TRP 103 HH2 TRP 103 2.838 -31.146 23.181 868 H SER 104 H SER 104 -5.242 -28.442 20.825 869 HA SER 104 HA SER 104 -5.341 -28.006 23.739 870 HB2 SER 104 2HB SER 104 -7.697 -28.892 23.511 871 HB3 SER 104 3HB SER 104 -7.402 -27.403 22.619 872 HG SER 104 HG SER 104 -8.050 -28.424 20.922 873 H LEU 105 H LEU 105 -4.738 -29.632 25.022 874 HA LEU 105 HA LEU 105 -3.959 -32.209 23.826 875 HB2 LEU 105 2HB LEU 105 -3.205 -31.009 26.530 876 HB3 LEU 105 3HB LEU 105 -2.586 -32.507 25.858 877 HG LEU 105 HG LEU 105 -1.603 -31.042 23.940 878 HD11 LEU 105 1HD1 LEU 105 -2.070 -28.816 25.941 879 HD12 LEU 105 2HD1 LEU 105 -2.841 -28.981 24.363 880 HD13 LEU 105 3HD1 LEU 105 -1.105 -28.705 24.464 881 HD21 LEU 105 3HD2 LEU 105 -0.232 -32.139 25.641 882 HD22 LEU 105 1HD2 LEU 105 -0.468 -30.778 26.739 883 HD23 LEU 105 2HD2 LEU 105 0.428 -30.558 25.232 884 H GLU 106 H GLU 106 -5.158 -33.994 24.239 885 HA GLU 106 HA GLU 106 -6.366 -34.452 26.836 886 HB2 GLU 106 2HB GLU 106 -8.087 -33.191 25.236 887 HB3 GLU 106 3HB GLU 106 -8.264 -34.761 24.473 888 HG2 GLU 106 2HG GLU 106 -8.826 -34.104 27.382 889 HG3 GLU 106 3HG GLU 106 -10.033 -34.362 26.130 890 H HIS 107 H HIS 107 -6.051 -36.536 27.341 891 HA HIS 107 HA HIS 107 -6.212 -38.743 25.590 892 HB2 HIS 107 2HB HIS 107 -3.792 -39.471 25.656 893 HB3 HIS 107 3HB HIS 107 -4.059 -38.020 24.693 894 HD1 HIS 107 HD1 HIS 107 -2.232 -39.297 27.643 895 HD2 HIS 107 HD2 HIS 107 -3.037 -35.612 25.913 896 HE1 HIS 107 HE1 HIS 107 -0.645 -37.687 28.711 897 HE2 HIS 107 HE2 HIS 107 -1.328 -35.446 27.827 898 H HIS 108 H HIS 108 -7.531 -39.543 27.183 899 HA HIS 108 HA HIS 108 -6.243 -40.537 29.626 900 HB2 HIS 108 2HB HIS 108 -8.701 -38.746 29.595 901 HB3 HIS 108 3HB HIS 108 -8.354 -39.824 30.946 902 HD1 HIS 108 HD1 HIS 108 -7.845 -36.451 29.941 903 HD2 HIS 108 HD2 HIS 108 -5.536 -39.268 31.937 904 HE1 HIS 108 HE1 HIS 108 -6.110 -35.141 31.197 905 HE2 HIS 108 HE2 HIS 108 -4.868 -36.851 32.547 906 H HIS 109 H HIS 109 -6.343 -42.574 28.665 907 HA HIS 109 HA HIS 109 -8.912 -43.918 28.387 908 HB2 HIS 109 2HB HIS 109 -6.033 -44.932 28.394 909 HB3 HIS 109 3HB HIS 109 -7.411 -46.026 28.358 910 HD1 HIS 109 HD1 HIS 109 -6.714 -46.926 26.032 911 HD2 HIS 109 HD2 HIS 109 -7.494 -42.843 26.068 912 HE1 HIS 109 HE1 HIS 109 -6.883 -46.244 23.621 913 HE2 HIS 109 HE2 HIS 109 -7.553 -43.828 23.685 914 H HIS 110 H HIS 110 -10.022 -43.851 30.266 915 HA HIS 110 HA HIS 110 -8.956 -45.385 32.535 916 HB2 HIS 110 2HB HIS 110 -9.843 -43.766 34.185 917 HB3 HIS 110 3HB HIS 110 -8.595 -43.044 33.175 918 HD1 HIS 110 HD1 HIS 110 -12.027 -42.532 34.334 919 HD2 HIS 110 HD2 HIS 110 -9.672 -41.173 31.188 920 HE1 HIS 110 HE1 HIS 110 -13.203 -40.517 33.422 921 HE2 HIS 110 HE2 HIS 110 -11.839 -39.790 31.451 922 H HIS 111 H HIS 111 -10.258 -47.051 32.640 923 HA HIS 111 HA HIS 111 -13.133 -46.720 32.959 924 HB2 HIS 111 2HB HIS 111 -13.710 -48.463 31.259 925 HB3 HIS 111 3HB HIS 111 -13.021 -47.023 30.526 926 HD1 HIS 111 HD1 HIS 111 -11.451 -47.553 28.703 927 HD2 HIS 111 HD2 HIS 111 -11.513 -50.590 31.542 928 HE1 HIS 111 HE1 HIS 111 -9.986 -49.370 27.794 929 HE2 HIS 111 HE2 HIS 111 -9.851 -51.065 29.634 930 H HIS 112 H HIS 112 -14.101 -49.049 33.380 931 HA HIS 112 HA HIS 112 -12.349 -50.403 35.310 932 HB2 HIS 112 2HB HIS 112 -14.583 -49.710 36.103 933 HB3 HIS 112 3HB HIS 112 -15.357 -50.669 34.843 934 HD1 HIS 112 HD1 HIS 112 -15.856 -53.062 35.420 935 HD2 HIS 112 HD2 HIS 112 -13.161 -51.348 38.074 936 HE1 HIS 112 HE1 HIS 112 -15.506 -54.762 37.230 937 HE2 HIS 112 HE2 HIS 112 -13.727 -53.784 38.696 Start of MODEL 5 1 H1 MET 1 1H MET 1 -6.056 -2.926 21.224 2 H2 MET 1 2H MET 1 -4.500 -3.410 21.663 3 H3 MET 1 3H MET 1 -5.501 -4.469 20.814 4 HA MET 1 HA MET 1 -5.497 -3.038 18.918 5 HB2 MET 1 2HB MET 1 -5.188 -0.883 20.034 6 HB3 MET 1 3HB MET 1 -3.592 -1.353 20.597 7 HG2 MET 1 2HG MET 1 -2.762 -1.360 18.287 8 HG3 MET 1 3HG MET 1 -4.369 -0.955 17.696 9 HE1 MET 1 3HE MET 1 -5.493 1.245 19.551 10 HE2 MET 1 1HE MET 1 -5.439 1.434 17.793 11 HE3 MET 1 2HE MET 1 -4.841 2.718 18.841 12 H LEU 2 H LEU 2 -4.518 -4.309 17.554 13 HA LEU 2 HA LEU 2 -1.884 -5.526 18.112 14 HB2 LEU 2 2HB LEU 2 -2.697 -7.238 16.355 15 HB3 LEU 2 3HB LEU 2 -3.455 -7.267 17.935 16 HG LEU 2 HG LEU 2 -5.403 -5.950 16.933 17 HD11 LEU 2 1HD1 LEU 2 -4.134 -6.668 14.279 18 HD12 LEU 2 2HD1 LEU 2 -4.332 -5.044 14.938 19 HD13 LEU 2 3HD1 LEU 2 -5.750 -5.995 14.513 20 HD21 LEU 2 3HD2 LEU 2 -5.582 -8.342 17.383 21 HD22 LEU 2 1HD2 LEU 2 -4.900 -8.715 15.799 22 HD23 LEU 2 2HD2 LEU 2 -6.470 -7.913 15.923 23 H THR 3 H THR 3 -0.467 -5.856 16.191 24 HA THR 3 HA THR 3 -0.921 -3.871 14.034 25 HB THR 3 HB THR 3 1.817 -4.578 15.188 26 HG1 THR 3 HG1 THR 3 0.247 -3.292 16.546 27 HG21 THR 3 3HG2 THR 3 2.567 -2.598 13.911 28 HG22 THR 3 1HG2 THR 3 0.934 -2.361 13.292 29 HG23 THR 3 2HG2 THR 3 1.855 -3.797 12.828 30 H VAL 4 H VAL 4 -1.079 -4.832 12.108 31 HA VAL 4 HA VAL 4 0.389 -7.337 11.540 32 HB VAL 4 HB VAL 4 -2.026 -7.475 11.062 33 HG11 VAL 4 1HG1 VAL 4 -1.635 -5.168 9.126 34 HG12 VAL 4 2HG1 VAL 4 -2.523 -5.111 10.650 35 HG13 VAL 4 3HG1 VAL 4 -3.116 -6.113 9.325 36 HG21 VAL 4 3HG2 VAL 4 -0.521 -8.785 9.634 37 HG22 VAL 4 1HG2 VAL 4 -0.352 -7.429 8.517 38 HG23 VAL 4 2HG2 VAL 4 -1.910 -8.238 8.696 39 H GLU 5 H GLU 5 1.841 -7.404 9.861 40 HA GLU 5 HA GLU 5 2.446 -4.947 8.327 41 HB2 GLU 5 2HB GLU 5 4.450 -6.988 9.406 42 HB3 GLU 5 3HB GLU 5 4.844 -5.595 8.402 43 HG2 GLU 5 2HG GLU 5 4.098 -4.081 10.201 44 HG3 GLU 5 3HG GLU 5 3.684 -5.473 11.198 45 H VAL 6 H VAL 6 2.768 -5.269 6.177 46 HA VAL 6 HA VAL 6 3.094 -7.994 5.109 47 HB VAL 6 HB VAL 6 0.706 -7.369 4.773 48 HG11 VAL 6 1HG1 VAL 6 0.868 -4.937 4.711 49 HG12 VAL 6 2HG1 VAL 6 0.058 -5.527 3.260 50 HG13 VAL 6 3HG1 VAL 6 1.741 -5.006 3.179 51 HG21 VAL 6 3HG2 VAL 6 2.296 -7.418 2.178 52 HG22 VAL 6 1HG2 VAL 6 0.576 -7.795 2.333 53 HG23 VAL 6 2HG2 VAL 6 1.779 -8.824 3.110 54 H GLU 7 H GLU 7 4.732 -8.099 3.726 55 HA GLU 7 HA GLU 7 6.139 -5.671 2.841 56 HB2 GLU 7 2HB GLU 7 7.357 -7.350 4.235 57 HB3 GLU 7 3HB GLU 7 7.037 -8.590 3.027 58 HG2 GLU 7 2HG GLU 7 8.443 -7.451 1.412 59 HG3 GLU 7 3HG GLU 7 8.650 -6.080 2.505 60 H VAL 8 H VAL 8 5.378 -5.072 0.907 61 HA VAL 8 HA VAL 8 4.659 -7.060 -1.169 62 HB VAL 8 HB VAL 8 3.769 -4.136 -0.905 63 HG11 VAL 8 1HG1 VAL 8 2.873 -6.292 -2.856 64 HG12 VAL 8 2HG1 VAL 8 3.841 -4.867 -3.246 65 HG13 VAL 8 3HG1 VAL 8 2.168 -4.678 -2.717 66 HG21 VAL 8 3HG2 VAL 8 2.190 -6.681 -0.326 67 HG22 VAL 8 1HG2 VAL 8 1.540 -5.039 -0.301 68 HG23 VAL 8 2HG2 VAL 8 2.764 -5.523 0.876 69 H LYS 9 H LYS 9 6.069 -7.216 -2.801 70 HA LYS 9 HA LYS 9 8.115 -5.162 -3.300 71 HB2 LYS 9 2HB LYS 9 8.693 -7.613 -2.957 72 HB3 LYS 9 3HB LYS 9 7.837 -7.978 -4.451 73 HG2 LYS 9 2HG LYS 9 9.471 -6.399 -5.624 74 HG3 LYS 9 3HG LYS 9 10.393 -6.375 -4.119 75 HD2 LYS 9 2HD LYS 9 9.772 -8.821 -5.817 76 HD3 LYS 9 3HD LYS 9 11.333 -8.010 -5.698 77 HE2 LYS 9 2HE LYS 9 9.911 -9.434 -3.417 78 HE3 LYS 9 3HE LYS 9 11.259 -10.079 -4.348 79 HZ1 LYS 9 3HZ LYS 9 12.092 -9.193 -2.325 80 HZ2 LYS 9 1HZ LYS 9 11.306 -7.716 -2.554 81 HZ3 LYS 9 2HZ LYS 9 12.587 -8.157 -3.561 82 H ILE 10 H ILE 10 7.420 -3.620 -4.731 83 HA ILE 10 HA ILE 10 5.459 -4.240 -6.846 84 HB ILE 10 HB ILE 10 6.503 -1.490 -5.969 85 HG12 ILE 10 2HG1 ILE 10 4.000 -1.225 -5.191 86 HG13 ILE 10 3HG1 ILE 10 3.962 -2.982 -5.213 87 HG21 ILE 10 1HG2 ILE 10 5.833 -1.503 -8.335 88 HG22 ILE 10 2HG2 ILE 10 4.684 -0.564 -7.383 89 HG23 ILE 10 3HG2 ILE 10 4.263 -2.193 -7.910 90 HD11 ILE 10 3HD1 ILE 10 4.369 -2.125 -2.990 91 HD12 ILE 10 1HD1 ILE 10 5.808 -1.274 -3.555 92 HD13 ILE 10 2HD1 ILE 10 5.759 -3.039 -3.569 93 H THR 11 H THR 11 6.333 -4.812 -8.761 94 HA THR 11 HA THR 11 8.801 -3.494 -9.719 95 HB THR 11 HB THR 11 9.081 -5.907 -9.629 96 HG1 THR 11 HG1 THR 11 8.817 -5.778 -12.347 97 HG21 THR 11 3HG2 THR 11 6.686 -6.155 -11.483 98 HG22 THR 11 1HG2 THR 11 6.734 -6.655 -9.788 99 HG23 THR 11 2HG2 THR 11 7.745 -7.473 -10.979 100 H ALA 12 H ALA 12 8.698 -2.196 -11.400 101 HA ALA 12 HA ALA 12 6.477 -2.135 -13.319 102 HB1 ALA 12 3HB ALA 12 6.200 0.305 -13.027 103 HB2 ALA 12 1HB ALA 12 7.381 0.290 -11.713 104 HB3 ALA 12 2HB ALA 12 5.839 -0.548 -11.525 105 H ASP 13 H ASP 13 7.052 -0.470 -15.103 106 HA ASP 13 HA ASP 13 9.582 -1.011 -16.250 107 HB2 ASP 13 2HB ASP 13 7.457 1.049 -16.946 108 HB3 ASP 13 3HB ASP 13 8.959 0.941 -17.858 109 H ASP 14 H ASP 14 8.409 1.695 -14.316 110 HA ASP 14 HA ASP 14 11.211 2.579 -13.974 111 HB2 ASP 14 2HB ASP 14 10.053 4.144 -15.537 112 HB3 ASP 14 3HB ASP 14 8.857 4.475 -14.290 113 H GLU 15 H GLU 15 11.699 2.235 -11.952 114 HA GLU 15 HA GLU 15 9.859 1.790 -9.860 115 HB2 GLU 15 2HB GLU 15 11.743 1.519 -8.396 116 HB3 GLU 15 3HB GLU 15 12.179 0.830 -9.948 117 HG2 GLU 15 2HG GLU 15 13.088 3.510 -8.872 118 HG3 GLU 15 3HG GLU 15 14.045 2.036 -8.892 119 H ASN 16 H ASN 16 11.370 4.726 -11.004 120 HA ASN 16 HA ASN 16 11.081 6.287 -8.626 121 HB2 ASN 16 2HB ASN 16 12.673 6.819 -10.505 122 HB3 ASN 16 3HB ASN 16 11.302 7.286 -11.507 123 HD21 ASN 16 1HD2 ASN 16 10.116 9.184 -10.916 124 HD22 ASN 16 2HD2 ASN 16 10.825 10.394 -9.907 125 H LYS 17 H LYS 17 9.166 5.996 -11.619 126 HA LYS 17 HA LYS 17 7.027 7.692 -10.814 127 HB2 LYS 17 2HB LYS 17 7.401 5.657 -13.025 128 HB3 LYS 17 3HB LYS 17 5.792 6.294 -12.710 129 HG2 LYS 17 2HG LYS 17 8.195 8.045 -13.287 130 HG3 LYS 17 3HG LYS 17 7.074 7.469 -14.524 131 HD2 LYS 17 2HD LYS 17 5.229 8.681 -13.523 132 HD3 LYS 17 3HD LYS 17 6.200 9.110 -12.110 133 HE2 LYS 17 2HE LYS 17 6.737 10.053 -14.951 134 HE3 LYS 17 3HE LYS 17 5.952 11.002 -13.683 135 HZ1 LYS 17 3HZ LYS 17 8.243 11.595 -13.782 136 HZ2 LYS 17 1HZ LYS 17 8.733 9.980 -13.663 137 HZ3 LYS 17 2HZ LYS 17 7.987 10.738 -12.351 138 H ALA 18 H ALA 18 7.586 4.191 -10.623 139 HA ALA 18 HA ALA 18 5.111 3.330 -9.656 140 HB1 ALA 18 3HB ALA 18 7.851 2.211 -8.958 141 HB2 ALA 18 1HB ALA 18 6.897 1.784 -10.374 142 HB3 ALA 18 2HB ALA 18 6.304 1.376 -8.761 143 H GLU 19 H GLU 19 7.955 4.601 -7.940 144 HA GLU 19 HA GLU 19 6.977 4.313 -5.297 145 HB2 GLU 19 2HB GLU 19 9.383 4.622 -5.779 146 HB3 GLU 19 3HB GLU 19 9.073 6.249 -6.386 147 HG2 GLU 19 2HG GLU 19 8.268 6.908 -4.120 148 HG3 GLU 19 3HG GLU 19 8.658 5.296 -3.529 149 H GLU 20 H GLU 20 6.974 7.088 -7.570 150 HA GLU 20 HA GLU 20 5.887 9.071 -5.913 151 HB2 GLU 20 2HB GLU 20 5.639 8.740 -8.931 152 HB3 GLU 20 3HB GLU 20 5.143 10.189 -8.064 153 HG2 GLU 20 2HG GLU 20 7.456 10.570 -7.331 154 HG3 GLU 20 3HG GLU 20 7.965 9.092 -8.145 155 H ILE 21 H ILE 21 4.239 6.795 -8.091 156 HA ILE 21 HA ILE 21 1.605 7.724 -7.648 157 HB ILE 21 HB ILE 21 2.560 5.003 -8.668 158 HG12 ILE 21 2HG1 ILE 21 1.528 7.435 -10.218 159 HG13 ILE 21 3HG1 ILE 21 3.222 6.988 -10.078 160 HG21 ILE 21 1HG2 ILE 21 -0.240 6.201 -8.763 161 HG22 ILE 21 2HG2 ILE 21 0.260 4.803 -7.807 162 HG23 ILE 21 3HG2 ILE 21 0.257 4.714 -9.569 163 HD11 ILE 21 3HD1 ILE 21 2.779 4.914 -11.282 164 HD12 ILE 21 1HD1 ILE 21 2.307 6.330 -12.220 165 HD13 ILE 21 2HD1 ILE 21 1.073 5.353 -11.420 166 H VAL 22 H VAL 22 3.374 4.880 -6.285 167 HA VAL 22 HA VAL 22 1.274 3.926 -4.673 168 HB VAL 22 HB VAL 22 4.289 3.524 -4.402 169 HG11 VAL 22 1HG1 VAL 22 2.085 2.037 -2.916 170 HG12 VAL 22 2HG1 VAL 22 3.273 3.125 -2.193 171 HG13 VAL 22 3HG1 VAL 22 3.800 1.605 -2.914 172 HG21 VAL 22 3HG2 VAL 22 3.825 1.313 -5.401 173 HG22 VAL 22 1HG2 VAL 22 3.257 2.608 -6.456 174 HG23 VAL 22 2HG2 VAL 22 2.103 1.698 -5.479 175 H LYS 23 H LYS 23 3.940 6.197 -3.828 176 HA LYS 23 HA LYS 23 3.344 6.516 -1.094 177 HB2 LYS 23 2HB LYS 23 4.696 8.428 -3.040 178 HB3 LYS 23 3HB LYS 23 4.523 8.787 -1.325 179 HG2 LYS 23 2HG LYS 23 5.836 6.750 -0.787 180 HG3 LYS 23 3HG LYS 23 6.041 6.456 -2.512 181 HD2 LYS 23 2HD LYS 23 8.064 7.483 -1.735 182 HD3 LYS 23 3HD LYS 23 7.208 8.693 -2.686 183 HE2 LYS 23 2HE LYS 23 7.050 8.582 0.343 184 HE3 LYS 23 3HE LYS 23 8.285 9.496 -0.516 185 HZ1 LYS 23 3HZ LYS 23 6.500 10.943 0.075 186 HZ2 LYS 23 1HZ LYS 23 5.351 9.939 -0.651 187 HZ3 LYS 23 2HZ LYS 23 6.484 10.753 -1.603 188 H ARG 24 H ARG 24 2.349 8.522 -3.898 189 HA ARG 24 HA ARG 24 0.701 10.399 -2.733 190 HB2 ARG 24 2HB ARG 24 1.063 10.564 -5.104 191 HB3 ARG 24 3HB ARG 24 0.505 8.922 -5.384 192 HG2 ARG 24 2HG ARG 24 -1.826 9.824 -4.589 193 HG3 ARG 24 3HG ARG 24 -1.137 11.415 -4.889 194 HD2 ARG 24 2HD ARG 24 -0.981 11.035 -7.210 195 HD3 ARG 24 3HD ARG 24 -1.057 9.277 -7.026 196 HE ARG 24 HE ARG 24 -3.388 11.031 -6.478 197 HH11 ARG 24 1HH1 ARG 24 -2.068 8.192 -8.113 198 HH12 ARG 24 2HH1 ARG 24 -3.624 7.675 -8.696 199 HH21 ARG 24 1HH2 ARG 24 -5.412 10.279 -7.181 200 HH22 ARG 24 2HH2 ARG 24 -5.504 8.851 -8.172 201 H VAL 25 H VAL 25 -0.175 7.158 -3.861 202 HA VAL 25 HA VAL 25 -2.944 7.478 -3.378 203 HB VAL 25 HB VAL 25 -1.345 4.952 -4.001 204 HG11 VAL 25 1HG1 VAL 25 -3.521 3.990 -4.695 205 HG12 VAL 25 2HG1 VAL 25 -4.342 5.443 -4.124 206 HG13 VAL 25 3HG1 VAL 25 -3.512 4.396 -2.975 207 HG21 VAL 25 3HG2 VAL 25 -2.063 5.305 -6.322 208 HG22 VAL 25 1HG2 VAL 25 -1.221 6.742 -5.745 209 HG23 VAL 25 2HG2 VAL 25 -2.980 6.740 -5.851 210 H ILE 26 H ILE 26 -0.341 5.783 -1.539 211 HA ILE 26 HA ILE 26 -2.056 4.583 0.390 212 HB ILE 26 HB ILE 26 0.864 5.385 0.820 213 HG12 ILE 26 2HG1 ILE 26 -0.237 2.656 0.014 214 HG13 ILE 26 3HG1 ILE 26 0.506 3.790 -1.109 215 HG21 ILE 26 1HG2 ILE 26 -0.868 3.401 2.366 216 HG22 ILE 26 2HG2 ILE 26 -0.308 4.964 2.961 217 HG23 ILE 26 3HG2 ILE 26 0.853 3.676 2.639 218 HD11 ILE 26 3HD1 ILE 26 1.862 2.545 1.273 219 HD12 ILE 26 1HD1 ILE 26 2.595 3.671 0.127 220 HD13 ILE 26 2HD1 ILE 26 2.067 2.079 -0.414 221 H ASP 27 H ASP 27 -0.489 7.750 0.161 222 HA ASP 27 HA ASP 27 -1.103 8.675 2.790 223 HB2 ASP 27 2HB ASP 27 0.626 9.620 1.074 224 HB3 ASP 27 3HB ASP 27 -0.726 10.494 0.371 225 H GLU 28 H GLU 28 -2.858 8.624 -0.261 226 HA GLU 28 HA GLU 28 -5.127 10.162 0.622 227 HB2 GLU 28 2HB GLU 28 -4.917 8.211 -1.707 228 HB3 GLU 28 3HB GLU 28 -6.224 9.361 -1.449 229 HG2 GLU 28 2HG GLU 28 -3.345 9.961 -2.145 230 HG3 GLU 28 3HG GLU 28 -4.764 10.231 -3.148 231 H VAL 29 H VAL 29 -4.347 6.677 0.472 232 HA VAL 29 HA VAL 29 -6.901 5.715 1.271 233 HB VAL 29 HB VAL 29 -4.215 4.278 1.645 234 HG11 VAL 29 1HG1 VAL 29 -7.065 3.189 1.619 235 HG12 VAL 29 2HG1 VAL 29 -5.996 3.280 3.021 236 HG13 VAL 29 3HG1 VAL 29 -5.604 2.200 1.682 237 HG21 VAL 29 3HG2 VAL 29 -4.590 4.838 -0.722 238 HG22 VAL 29 1HG2 VAL 29 -6.175 4.079 -0.663 239 HG23 VAL 29 2HG2 VAL 29 -4.718 3.103 -0.462 240 H GLU 30 H GLU 30 -4.051 6.827 2.936 241 HA GLU 30 HA GLU 30 -4.642 5.818 5.521 242 HB2 GLU 30 2HB GLU 30 -2.364 6.422 4.842 243 HB3 GLU 30 3HB GLU 30 -2.824 8.110 4.666 244 HG2 GLU 30 2HG GLU 30 -3.437 7.104 7.363 245 HG3 GLU 30 3HG GLU 30 -1.740 6.864 6.962 246 H ARG 31 H ARG 31 -5.187 8.967 3.936 247 HA ARG 31 HA ARG 31 -6.206 10.250 6.261 248 HB2 ARG 31 2HB ARG 31 -6.689 12.131 4.883 249 HB3 ARG 31 3HB ARG 31 -5.197 11.437 4.268 250 HG2 ARG 31 2HG ARG 31 -6.401 10.453 2.374 251 HG3 ARG 31 3HG ARG 31 -7.938 11.032 3.017 252 HD2 ARG 31 2HD ARG 31 -7.369 12.582 1.328 253 HD3 ARG 31 3HD ARG 31 -6.941 13.404 2.824 254 HE ARG 31 HE ARG 31 -5.119 12.334 0.785 255 HH11 ARG 31 1HH1 ARG 31 -5.389 14.034 3.873 256 HH12 ARG 31 2HH1 ARG 31 -3.753 14.606 3.805 257 HH21 ARG 31 1HH2 ARG 31 -3.037 13.131 0.714 258 HH22 ARG 31 2HH2 ARG 31 -2.425 14.101 2.020 259 H GLU 32 H GLU 32 -7.746 8.390 3.640 260 HA GLU 32 HA GLU 32 -10.434 8.981 4.536 261 HB2 GLU 32 2HB GLU 32 -11.221 7.408 2.854 262 HB3 GLU 32 3HB GLU 32 -10.003 8.457 2.146 263 HG2 GLU 32 2HG GLU 32 -8.341 6.630 2.353 264 HG3 GLU 32 3HG GLU 32 -9.586 5.577 3.011 265 H VAL 33 H VAL 33 -8.047 6.472 5.151 266 HA VAL 33 HA VAL 33 -9.764 4.745 6.665 267 HB VAL 33 HB VAL 33 -6.751 4.922 6.313 268 HG11 VAL 33 1HG1 VAL 33 -6.970 4.354 8.701 269 HG12 VAL 33 2HG1 VAL 33 -6.411 2.952 7.787 270 HG13 VAL 33 3HG1 VAL 33 -8.095 3.052 8.308 271 HG21 VAL 33 3HG2 VAL 33 -8.093 3.802 4.576 272 HG22 VAL 33 1HG2 VAL 33 -8.777 2.710 5.782 273 HG23 VAL 33 2HG2 VAL 33 -7.055 2.635 5.396 274 H GLN 34 H GLN 34 -7.947 7.683 7.470 275 HA GLN 34 HA GLN 34 -8.167 7.401 10.311 276 HB2 GLN 34 2HB GLN 34 -7.952 9.994 8.727 277 HB3 GLN 34 3HB GLN 34 -7.685 9.818 10.458 278 HG2 GLN 34 2HG GLN 34 -5.959 8.860 8.183 279 HG3 GLN 34 3HG GLN 34 -5.537 9.952 9.490 280 HE21 GLN 34 1HE2 GLN 34 -5.878 6.635 8.523 281 HE22 GLN 34 2HE2 GLN 34 -5.152 5.928 9.927 282 H LYS 35 H LYS 35 -10.415 8.146 7.866 283 HA LYS 35 HA LYS 35 -12.352 9.472 9.609 284 HB2 LYS 35 2HB LYS 35 -12.552 8.750 6.647 285 HB3 LYS 35 3HB LYS 35 -13.681 9.768 7.546 286 HG2 LYS 35 2HG LYS 35 -11.851 11.387 7.969 287 HG3 LYS 35 3HG LYS 35 -10.764 10.391 7.000 288 HD2 LYS 35 2HD LYS 35 -12.171 10.788 5.006 289 HD3 LYS 35 3HD LYS 35 -13.295 11.746 5.981 290 HE2 LYS 35 2HE LYS 35 -11.405 13.324 6.495 291 HE3 LYS 35 3HE LYS 35 -10.391 12.408 5.378 292 HZ1 LYS 35 3HZ LYS 35 -12.877 13.877 4.691 293 HZ2 LYS 35 1HZ LYS 35 -11.966 12.960 3.603 294 HZ3 LYS 35 2HZ LYS 35 -11.300 14.343 4.310 295 H GLN 36 H GLN 36 -11.834 6.371 7.968 296 HA GLN 36 HA GLN 36 -14.479 5.353 8.727 297 HB2 GLN 36 2HB GLN 36 -12.229 3.901 7.256 298 HB3 GLN 36 3HB GLN 36 -13.904 3.373 7.399 299 HG2 GLN 36 2HG GLN 36 -12.873 5.766 5.857 300 HG3 GLN 36 3HG GLN 36 -13.528 4.279 5.181 301 HE21 GLN 36 1HE2 GLN 36 -14.347 7.095 4.818 302 HE22 GLN 36 2HE2 GLN 36 -16.023 7.154 5.240 303 H TYR 37 H TYR 37 -11.074 4.407 9.202 304 HA TYR 37 HA TYR 37 -11.735 2.977 11.719 305 HB2 TYR 37 2HB TYR 37 -9.162 2.692 10.104 306 HB3 TYR 37 3HB TYR 37 -9.775 1.622 11.352 307 HD1 TYR 37 HD2 TYR 37 -10.152 2.644 7.796 308 HD2 TYR 37 HD1 TYR 37 -11.339 -0.180 10.784 309 HE1 TYR 37 HE2 TYR 37 -11.066 1.174 6.043 310 HE2 TYR 37 HE1 TYR 37 -12.241 -1.647 9.030 311 HH TYR 37 HH TYR 37 -11.556 -1.307 5.781 312 HA PRO 38 HA PRO 38 -9.766 7.092 12.662 313 HB2 PRO 38 2HB PRO 38 -10.789 7.495 15.185 314 HB3 PRO 38 3HB PRO 38 -11.722 7.773 13.700 315 HG2 PRO 38 2HG PRO 38 -11.741 5.365 15.501 316 HG3 PRO 38 3HG PRO 38 -13.115 6.252 14.799 317 HD2 PRO 38 2HD PRO 38 -12.227 3.949 13.696 318 HD3 PRO 38 3HD PRO 38 -12.851 5.278 12.692 319 H ASN 39 H ASN 39 -9.487 4.219 14.689 320 HA ASN 39 HA ASN 39 -7.097 5.306 16.062 321 HB2 ASN 39 2HB ASN 39 -8.700 2.787 16.698 322 HB3 ASN 39 3HB ASN 39 -7.338 3.403 17.631 323 HD21 ASN 39 1HD2 ASN 39 -7.658 5.167 19.007 324 HD22 ASN 39 2HD2 ASN 39 -9.223 5.805 19.364 325 H ALA 40 H ALA 40 -7.574 3.867 13.238 326 HA ALA 40 HA ALA 40 -5.405 1.878 13.423 327 HB1 ALA 40 3HB ALA 40 -7.450 1.169 12.269 328 HB2 ALA 40 1HB ALA 40 -6.086 1.217 11.154 329 HB3 ALA 40 2HB ALA 40 -7.291 2.510 11.130 330 H THR 41 H THR 41 -3.407 2.370 12.783 331 HA THR 41 HA THR 41 -2.866 4.916 11.363 332 HB THR 41 HB THR 41 -1.241 3.471 13.507 333 HG1 THR 41 HG1 THR 41 -3.188 5.413 13.576 334 HG21 THR 41 3HG2 THR 41 0.214 5.479 13.502 335 HG22 THR 41 1HG2 THR 41 -0.676 6.119 12.120 336 HG23 THR 41 2HG2 THR 41 0.274 4.639 11.951 337 H ILE 42 H ILE 42 -1.996 4.641 9.404 338 HA ILE 42 HA ILE 42 -0.768 2.090 8.603 339 HB ILE 42 HB ILE 42 -1.455 4.509 6.864 340 HG12 ILE 42 2HG1 ILE 42 -3.026 1.914 7.258 341 HG13 ILE 42 3HG1 ILE 42 -3.497 3.492 7.880 342 HG21 ILE 42 1HG2 ILE 42 -0.689 1.662 6.080 343 HG22 ILE 42 2HG2 ILE 42 0.326 3.094 5.894 344 HG23 ILE 42 3HG2 ILE 42 -1.159 2.939 4.955 345 HD11 ILE 42 3HD1 ILE 42 -3.648 4.296 5.537 346 HD12 ILE 42 1HD1 ILE 42 -4.781 3.011 5.947 347 HD13 ILE 42 2HD1 ILE 42 -3.340 2.645 5.000 348 H THR 43 H THR 43 1.310 2.095 9.327 349 HA THR 43 HA THR 43 3.174 4.261 8.699 350 HB THR 43 HB THR 43 3.573 1.521 9.999 351 HG1 THR 43 HG1 THR 43 2.986 4.084 10.937 352 HG21 THR 43 3HG2 THR 43 5.808 2.328 10.676 353 HG22 THR 43 1HG2 THR 43 5.567 3.807 9.747 354 HG23 THR 43 2HG2 THR 43 5.679 2.252 8.917 355 H ARG 44 H ARG 44 4.400 4.243 6.831 356 HA ARG 44 HA ARG 44 4.720 1.758 5.313 357 HB2 ARG 44 2HB ARG 44 3.981 2.739 3.182 358 HB3 ARG 44 3HB ARG 44 2.669 2.675 4.343 359 HG2 ARG 44 2HG ARG 44 4.239 5.210 3.768 360 HG3 ARG 44 3HG ARG 44 2.783 4.746 2.890 361 HD2 ARG 44 2HD ARG 44 1.581 4.690 5.138 362 HD3 ARG 44 3HD ARG 44 3.021 5.445 5.835 363 HE ARG 44 HE ARG 44 2.266 6.980 3.647 364 HH11 ARG 44 1HH1 ARG 44 0.913 6.161 6.772 365 HH12 ARG 44 2HH1 ARG 44 0.005 7.633 6.893 366 HH21 ARG 44 1HH2 ARG 44 1.024 8.894 3.811 367 HH22 ARG 44 2HH2 ARG 44 0.068 9.158 5.240 368 H THR 45 H THR 45 6.581 1.604 4.243 369 HA THR 45 HA THR 45 8.188 3.975 3.611 370 HB THR 45 HB THR 45 9.346 1.550 5.085 371 HG1 THR 45 HG1 THR 45 8.344 3.976 5.967 372 HG21 THR 45 3HG2 THR 45 10.961 2.547 3.492 373 HG22 THR 45 1HG2 THR 45 11.439 2.887 5.157 374 HG23 THR 45 2HG2 THR 45 10.673 4.145 4.184 375 H LEU 46 H LEU 46 8.635 3.822 1.530 376 HA LEU 46 HA LEU 46 8.653 1.281 0.073 377 HB2 LEU 46 2HB LEU 46 8.825 4.175 -0.887 378 HB3 LEU 46 3HB LEU 46 8.851 2.773 -1.940 379 HG LEU 46 HG LEU 46 6.513 2.192 -1.010 380 HD11 LEU 46 1HD1 LEU 46 6.471 3.602 0.972 381 HD12 LEU 46 2HD1 LEU 46 5.164 4.056 -0.119 382 HD13 LEU 46 3HD1 LEU 46 6.618 5.055 -0.017 383 HD21 LEU 46 3HD2 LEU 46 5.385 3.766 -2.546 384 HD22 LEU 46 1HD2 LEU 46 6.813 3.017 -3.257 385 HD23 LEU 46 2HD2 LEU 46 6.883 4.685 -2.684 386 H THR 47 H THR 47 10.548 0.332 -0.537 387 HA THR 47 HA THR 47 13.088 1.766 0.024 388 HB THR 47 HB THR 47 12.590 -1.244 0.177 389 HG1 THR 47 HG1 THR 47 12.252 0.832 2.016 390 HG21 THR 47 3HG2 THR 47 14.731 -1.291 1.408 391 HG22 THR 47 1HG2 THR 47 14.920 0.447 1.170 392 HG23 THR 47 2HG2 THR 47 14.966 -0.644 -0.218 393 H ARG 48 H ARG 48 14.355 2.097 -1.683 394 HA ARG 48 HA ARG 48 13.779 0.917 -4.292 395 HB2 ARG 48 2HB ARG 48 15.913 2.949 -3.462 396 HB3 ARG 48 3HB ARG 48 15.446 2.557 -5.115 397 HG2 ARG 48 2HG ARG 48 13.490 3.716 -3.110 398 HG3 ARG 48 3HG ARG 48 14.514 4.733 -4.120 399 HD2 ARG 48 2HD ARG 48 12.695 2.641 -5.341 400 HD3 ARG 48 3HD ARG 48 12.097 4.246 -4.919 401 HE ARG 48 HE ARG 48 14.104 3.609 -6.982 402 HH11 ARG 48 1HH1 ARG 48 12.058 6.028 -5.454 403 HH12 ARG 48 2HH1 ARG 48 12.304 7.195 -6.716 404 HH21 ARG 48 1HH2 ARG 48 14.411 5.158 -8.626 405 HH22 ARG 48 2HH2 ARG 48 13.627 6.703 -8.499 406 H ASP 49 H ASP 49 14.516 -1.122 -4.448 407 HA ASP 49 HA ASP 49 17.300 -1.794 -3.685 408 HB2 ASP 49 2HB ASP 49 15.720 -2.714 -2.004 409 HB3 ASP 49 3HB ASP 49 14.818 -3.533 -3.272 410 H ASP 50 H ASP 50 18.170 -1.785 -5.670 411 HA ASP 50 HA ASP 50 18.842 -2.468 -7.707 412 HB2 ASP 50 2HB ASP 50 17.382 -4.997 -6.850 413 HB3 ASP 50 3HB ASP 50 18.385 -4.909 -8.296 414 H GLY 51 H GLY 51 16.574 -0.843 -7.711 415 HA2 GLY 51 2HA GLY 51 15.309 0.109 -9.399 416 HA3 GLY 51 3HA GLY 51 15.642 -1.280 -10.418 417 H THR 52 H THR 52 14.455 -2.238 -7.404 418 HA THR 52 HA THR 52 11.637 -2.288 -8.325 419 HB THR 52 HB THR 52 12.959 -4.367 -6.502 420 HG1 THR 52 HG1 THR 52 12.973 -4.121 -9.271 421 HG21 THR 52 3HG2 THR 52 11.007 -5.753 -7.077 422 HG22 THR 52 1HG2 THR 52 10.371 -4.469 -8.106 423 HG23 THR 52 2HG2 THR 52 10.478 -4.230 -6.359 424 H VAL 53 H VAL 53 10.159 -1.440 -6.910 425 HA VAL 53 HA VAL 53 11.124 -0.190 -4.433 426 HB VAL 53 HB VAL 53 8.401 0.052 -5.823 427 HG11 VAL 53 1HG1 VAL 53 8.071 2.046 -4.388 428 HG12 VAL 53 2HG1 VAL 53 9.597 1.707 -3.570 429 HG13 VAL 53 3HG1 VAL 53 8.253 0.573 -3.426 430 HG21 VAL 53 3HG2 VAL 53 9.195 2.251 -6.621 431 HG22 VAL 53 1HG2 VAL 53 10.208 0.940 -7.234 432 HG23 VAL 53 2HG2 VAL 53 10.777 1.945 -5.900 433 H GLU 54 H GLU 54 11.129 -1.647 -2.722 434 HA GLU 54 HA GLU 54 8.852 -3.486 -2.416 435 HB2 GLU 54 2HB GLU 54 11.083 -4.529 -2.378 436 HB3 GLU 54 3HB GLU 54 11.556 -3.520 -1.012 437 HG2 GLU 54 2HG GLU 54 10.013 -4.619 0.465 438 HG3 GLU 54 3HG GLU 54 9.183 -5.406 -0.879 439 H LEU 55 H LEU 55 7.327 -2.680 -1.323 440 HA LEU 55 HA LEU 55 7.549 -0.499 0.603 441 HB2 LEU 55 2HB LEU 55 5.917 -0.228 -1.130 442 HB3 LEU 55 3HB LEU 55 5.334 -1.871 -0.947 443 HG LEU 55 HG LEU 55 4.329 -1.209 1.270 444 HD11 LEU 55 1HD1 LEU 55 3.994 1.163 1.780 445 HD12 LEU 55 2HD1 LEU 55 5.033 1.610 0.426 446 HD13 LEU 55 3HD1 LEU 55 5.707 0.732 1.801 447 HD21 LEU 55 3HD2 LEU 55 3.352 0.276 -1.190 448 HD22 LEU 55 1HD2 LEU 55 2.396 -0.053 0.257 449 HD23 LEU 55 2HD2 LEU 55 2.966 -1.389 -0.742 450 H ARG 56 H ARG 56 7.057 -0.715 2.737 451 HA ARG 56 HA ARG 56 5.986 -3.286 3.767 452 HB2 ARG 56 2HB ARG 56 7.912 -1.300 5.043 453 HB3 ARG 56 3HB ARG 56 6.976 -2.423 6.016 454 HG2 ARG 56 2HG ARG 56 9.081 -3.451 5.758 455 HG3 ARG 56 3HG ARG 56 8.008 -4.308 4.658 456 HD2 ARG 56 2HD ARG 56 8.950 -3.033 2.753 457 HD3 ARG 56 3HD ARG 56 10.032 -2.180 3.866 458 HE ARG 56 HE ARG 56 10.275 -5.007 4.118 459 HH11 ARG 56 1HH1 ARG 56 11.296 -2.373 2.018 460 HH12 ARG 56 2HH1 ARG 56 12.712 -3.213 1.474 461 HH21 ARG 56 1HH2 ARG 56 12.095 -6.074 3.415 462 HH22 ARG 56 2HH2 ARG 56 13.167 -5.325 2.274 463 H ILE 57 H ILE 57 3.850 -3.006 4.049 464 HA ILE 57 HA ILE 57 2.758 -0.504 5.156 465 HB ILE 57 HB ILE 57 1.397 -2.987 4.019 466 HG12 ILE 57 2HG1 ILE 57 2.364 -1.455 2.314 467 HG13 ILE 57 3HG1 ILE 57 0.608 -1.507 2.217 468 HG21 ILE 57 1HG2 ILE 57 0.047 -0.530 5.195 469 HG22 ILE 57 2HG2 ILE 57 0.009 -2.166 5.860 470 HG23 ILE 57 3HG2 ILE 57 -0.774 -1.821 4.318 471 HD11 ILE 57 3HD1 ILE 57 0.484 0.642 3.391 472 HD12 ILE 57 1HD1 ILE 57 1.450 0.744 1.919 473 HD13 ILE 57 2HD1 ILE 57 2.247 0.682 3.489 474 H LYS 58 H LYS 58 2.553 -0.389 7.280 475 HA LYS 58 HA LYS 58 2.246 -2.791 8.971 476 HB2 LYS 58 2HB LYS 58 4.499 -1.762 9.177 477 HB3 LYS 58 3HB LYS 58 3.776 -0.187 9.482 478 HG2 LYS 58 2HG LYS 58 2.823 -1.058 11.601 479 HG3 LYS 58 3HG LYS 58 3.602 -2.613 11.291 480 HD2 LYS 58 2HD LYS 58 5.832 -1.416 11.295 481 HD3 LYS 58 3HD LYS 58 4.981 0.059 11.770 482 HE2 LYS 58 2HE LYS 58 5.943 -0.992 13.744 483 HE3 LYS 58 3HE LYS 58 4.184 -1.117 13.832 484 HZ1 LYS 58 3HZ LYS 58 6.032 -3.276 12.936 485 HZ2 LYS 58 1HZ LYS 58 4.349 -3.400 13.034 486 HZ3 LYS 58 2HZ LYS 58 5.262 -3.195 14.436 487 H VAL 59 H VAL 59 0.053 -2.710 9.312 488 HA VAL 59 HA VAL 59 -1.242 -0.135 9.979 489 HB VAL 59 HB VAL 59 -2.565 -2.793 9.212 490 HG11 VAL 59 1HG1 VAL 59 -4.660 -1.473 9.076 491 HG12 VAL 59 2HG1 VAL 59 -3.804 -0.040 9.650 492 HG13 VAL 59 3HG1 VAL 59 -3.990 -1.439 10.712 493 HG21 VAL 59 3HG2 VAL 59 -1.391 -1.783 7.295 494 HG22 VAL 59 1HG2 VAL 59 -2.224 -0.249 7.573 495 HG23 VAL 59 2HG2 VAL 59 -3.140 -1.675 7.078 496 H LYS 60 H LYS 60 -1.150 0.227 12.105 497 HA LYS 60 HA LYS 60 -1.557 -1.921 14.065 498 HB2 LYS 60 2HB LYS 60 0.250 -0.191 14.390 499 HB3 LYS 60 3HB LYS 60 -0.992 1.054 14.460 500 HG2 LYS 60 2HG LYS 60 -1.941 -0.031 16.488 501 HG3 LYS 60 3HG LYS 60 -0.659 -1.242 16.419 502 HD2 LYS 60 2HD LYS 60 -0.093 0.487 18.070 503 HD3 LYS 60 3HD LYS 60 1.042 0.550 16.718 504 HE2 LYS 60 2HE LYS 60 -0.312 2.431 15.744 505 HE3 LYS 60 3HE LYS 60 -1.325 2.399 17.187 506 HZ1 LYS 60 3HZ LYS 60 0.587 2.964 18.517 507 HZ2 LYS 60 1HZ LYS 60 0.383 4.110 17.292 508 HZ3 LYS 60 2HZ LYS 60 1.594 2.940 17.163 509 H ALA 61 H ALA 61 -3.638 -2.390 14.428 510 HA ALA 61 HA ALA 61 -5.719 -0.303 14.600 511 HB1 ALA 61 3HB ALA 61 -5.957 -2.814 12.885 512 HB2 ALA 61 1HB ALA 61 -5.785 -1.165 12.271 513 HB3 ALA 61 2HB ALA 61 -7.235 -1.629 13.161 514 H ASP 62 H ASP 62 -7.853 -1.501 15.373 515 HA ASP 62 HA ASP 62 -7.169 -2.881 17.836 516 HB2 ASP 62 2HB ASP 62 -8.983 -1.170 17.780 517 HB3 ASP 62 3HB ASP 62 -9.912 -2.182 16.675 518 H THR 63 H THR 63 -8.950 -3.637 14.870 519 HA THR 63 HA THR 63 -9.095 -6.511 15.591 520 HB THR 63 HB THR 63 -10.729 -4.980 13.517 521 HG1 THR 63 HG1 THR 63 -10.989 -5.172 16.270 522 HG21 THR 63 3HG2 THR 63 -11.190 -7.697 14.805 523 HG22 THR 63 1HG2 THR 63 -10.657 -7.422 13.143 524 HG23 THR 63 2HG2 THR 63 -12.261 -6.898 13.654 525 H GLU 64 H GLU 64 -7.869 -7.922 14.392 526 HA GLU 64 HA GLU 64 -6.022 -7.052 12.443 527 HB2 GLU 64 2HB GLU 64 -5.444 -9.424 12.109 528 HB3 GLU 64 3HB GLU 64 -5.560 -9.028 13.819 529 HG2 GLU 64 2HG GLU 64 -7.671 -10.145 14.028 530 HG3 GLU 64 3HG GLU 64 -7.805 -10.354 12.284 531 H GLU 65 H GLU 65 -9.208 -8.577 12.131 532 HA GLU 65 HA GLU 65 -9.130 -9.206 9.377 533 HB2 GLU 65 2HB GLU 65 -10.754 -10.075 11.095 534 HB3 GLU 65 3HB GLU 65 -11.554 -8.514 11.107 535 HG2 GLU 65 2HG GLU 65 -11.331 -10.213 8.606 536 HG3 GLU 65 3HG GLU 65 -12.647 -10.410 9.757 537 H LYS 66 H LYS 66 -10.228 -6.320 11.123 538 HA LYS 66 HA LYS 66 -11.013 -4.819 8.813 539 HB2 LYS 66 2HB LYS 66 -10.400 -3.927 11.662 540 HB3 LYS 66 3HB LYS 66 -11.113 -2.898 10.418 541 HG2 LYS 66 2HG LYS 66 -13.091 -4.339 10.297 542 HG3 LYS 66 3HG LYS 66 -12.371 -5.461 11.456 543 HD2 LYS 66 2HD LYS 66 -14.018 -4.056 12.587 544 HD3 LYS 66 3HD LYS 66 -12.404 -3.685 13.191 545 HE2 LYS 66 2HE LYS 66 -12.349 -1.693 11.689 546 HE3 LYS 66 3HE LYS 66 -14.004 -2.056 11.194 547 HZ1 LYS 66 3HZ LYS 66 -14.652 -1.845 13.547 548 HZ2 LYS 66 1HZ LYS 66 -14.043 -0.414 12.895 549 HZ3 LYS 66 2HZ LYS 66 -13.084 -1.345 13.922 550 H ALA 67 H ALA 67 -7.997 -5.265 10.560 551 HA ALA 67 HA ALA 67 -6.556 -3.106 9.343 552 HB1 ALA 67 3HB ALA 67 -5.875 -4.109 11.488 553 HB2 ALA 67 1HB ALA 67 -4.567 -4.176 10.307 554 HB3 ALA 67 2HB ALA 67 -5.504 -5.629 10.672 555 H LYS 68 H LYS 68 -7.085 -6.522 8.549 556 HA LYS 68 HA LYS 68 -5.345 -6.712 6.301 557 HB2 LYS 68 2HB LYS 68 -7.901 -8.279 6.894 558 HB3 LYS 68 3HB LYS 68 -6.728 -8.700 5.652 559 HG2 LYS 68 2HG LYS 68 -6.192 -8.659 8.626 560 HG3 LYS 68 3HG LYS 68 -6.538 -10.097 7.672 561 HD2 LYS 68 2HD LYS 68 -4.466 -9.791 6.404 562 HD3 LYS 68 3HD LYS 68 -4.133 -8.276 7.256 563 HE2 LYS 68 2HE LYS 68 -2.815 -10.140 8.183 564 HE3 LYS 68 3HE LYS 68 -3.932 -9.493 9.380 565 HZ1 LYS 68 3HZ LYS 68 -5.407 -11.346 8.957 566 HZ2 LYS 68 1HZ LYS 68 -3.874 -11.909 9.393 567 HZ3 LYS 68 2HZ LYS 68 -4.366 -11.956 7.778 568 H SER 69 H SER 69 -8.689 -5.721 6.778 569 HA SER 69 HA SER 69 -9.530 -5.354 4.129 570 HB2 SER 69 2HB SER 69 -11.095 -5.304 6.005 571 HB3 SER 69 3HB SER 69 -10.322 -3.867 6.672 572 HG SER 69 HG SER 69 -12.343 -3.682 5.312 573 H ILE 70 H ILE 70 -7.925 -3.122 6.411 574 HA ILE 70 HA ILE 70 -7.777 -0.835 4.792 575 HB ILE 70 HB ILE 70 -5.962 -1.771 7.059 576 HG12 ILE 70 2HG1 ILE 70 -8.204 0.308 7.083 577 HG13 ILE 70 3HG1 ILE 70 -8.417 -1.366 7.579 578 HG21 ILE 70 1HG2 ILE 70 -6.097 0.991 5.797 579 HG22 ILE 70 2HG2 ILE 70 -4.737 -0.133 5.702 580 HG23 ILE 70 3HG2 ILE 70 -5.193 0.574 7.253 581 HD11 ILE 70 3HD1 ILE 70 -6.615 0.660 8.878 582 HD12 ILE 70 1HD1 ILE 70 -6.773 -1.031 9.362 583 HD13 ILE 70 2HD1 ILE 70 -8.155 0.057 9.491 584 H ILE 71 H ILE 71 -5.411 -3.477 5.281 585 HA ILE 71 HA ILE 71 -3.406 -2.668 3.500 586 HB ILE 71 HB ILE 71 -4.276 -5.470 4.348 587 HG12 ILE 71 2HG1 ILE 71 -1.924 -3.733 5.251 588 HG13 ILE 71 3HG1 ILE 71 -3.404 -3.999 6.165 589 HG21 ILE 71 1HG2 ILE 71 -2.098 -6.310 3.492 590 HG22 ILE 71 2HG2 ILE 71 -1.764 -4.723 2.802 591 HG23 ILE 71 3HG2 ILE 71 -3.114 -5.674 2.187 592 HD11 ILE 71 3HD1 ILE 71 -1.623 -5.349 7.044 593 HD12 ILE 71 1HD1 ILE 71 -1.344 -6.077 5.460 594 HD13 ILE 71 2HD1 ILE 71 -2.854 -6.385 6.322 595 H LYS 72 H LYS 72 -6.348 -4.593 2.951 596 HA LYS 72 HA LYS 72 -5.863 -5.274 0.256 597 HB2 LYS 72 2HB LYS 72 -7.481 -6.482 1.694 598 HB3 LYS 72 3HB LYS 72 -8.506 -5.054 1.758 599 HG2 LYS 72 2HG LYS 72 -9.389 -6.730 0.186 600 HG3 LYS 72 3HG LYS 72 -8.969 -5.232 -0.645 601 HD2 LYS 72 2HD LYS 72 -8.280 -7.189 -1.964 602 HD3 LYS 72 3HD LYS 72 -6.874 -6.255 -1.451 603 HE2 LYS 72 2HE LYS 72 -6.467 -8.675 -1.229 604 HE3 LYS 72 3HE LYS 72 -6.432 -7.886 0.347 605 HZ1 LYS 72 3HZ LYS 72 -8.653 -8.682 0.774 606 HZ2 LYS 72 1HZ LYS 72 -7.658 -9.983 0.364 607 HZ3 LYS 72 2HZ LYS 72 -8.750 -9.368 -0.765 608 H LEU 73 H LEU 73 -7.539 -2.538 1.795 609 HA LEU 73 HA LEU 73 -8.550 -1.268 -0.497 610 HB2 LEU 73 2HB LEU 73 -7.959 -0.439 2.327 611 HB3 LEU 73 3HB LEU 73 -8.070 0.863 1.159 612 HG LEU 73 HG LEU 73 -10.380 0.295 0.628 613 HD11 LEU 73 1HD1 LEU 73 -10.202 -2.020 2.566 614 HD12 LEU 73 2HD1 LEU 73 -10.283 -2.158 0.810 615 HD13 LEU 73 3HD1 LEU 73 -11.641 -1.478 1.705 616 HD21 LEU 73 3HD2 LEU 73 -9.911 0.381 3.623 617 HD22 LEU 73 1HD2 LEU 73 -11.433 0.769 2.820 618 HD23 LEU 73 2HD2 LEU 73 -10.009 1.770 2.538 619 H ILE 74 H ILE 74 -5.447 -0.867 1.232 620 HA ILE 74 HA ILE 74 -4.250 1.106 -0.339 621 HB ILE 74 HB ILE 74 -2.968 -1.187 1.225 622 HG12 ILE 74 2HG1 ILE 74 -3.356 1.751 1.973 623 HG13 ILE 74 3HG1 ILE 74 -4.361 0.429 2.548 624 HG21 ILE 74 1HG2 ILE 74 -1.337 -0.368 -0.430 625 HG22 ILE 74 2HG2 ILE 74 -0.858 0.118 1.196 626 HG23 ILE 74 3HG2 ILE 74 -1.599 1.294 0.108 627 HD11 ILE 74 3HD1 ILE 74 -2.801 1.077 4.240 628 HD12 ILE 74 1HD1 ILE 74 -1.443 0.848 3.139 629 HD13 ILE 74 2HD1 ILE 74 -2.397 -0.540 3.665 630 H GLU 75 H GLU 75 -4.099 -2.444 -0.655 631 HA GLU 75 HA GLU 75 -2.293 -2.547 -2.825 632 HB2 GLU 75 2HB GLU 75 -4.301 -4.582 -1.778 633 HB3 GLU 75 3HB GLU 75 -3.105 -4.945 -3.026 634 HG2 GLU 75 2HG GLU 75 -2.523 -4.084 -0.178 635 HG3 GLU 75 3HG GLU 75 -2.330 -5.706 -0.844 636 H GLU 76 H GLU 76 -5.851 -2.643 -2.723 637 HA GLU 76 HA GLU 76 -6.273 -3.034 -5.511 638 HB2 GLU 76 2HB GLU 76 -8.093 -1.908 -3.348 639 HB3 GLU 76 3HB GLU 76 -8.625 -2.213 -4.999 640 HG2 GLU 76 2HG GLU 76 -7.613 -4.285 -3.036 641 HG3 GLU 76 3HG GLU 76 -9.291 -4.025 -3.500 642 H ARG 77 H ARG 77 -5.921 -0.198 -3.483 643 HA ARG 77 HA ARG 77 -6.746 1.757 -5.388 644 HB2 ARG 77 2HB ARG 77 -5.237 1.875 -2.757 645 HB3 ARG 77 3HB ARG 77 -5.490 3.317 -3.718 646 HG2 ARG 77 2HG ARG 77 -7.754 1.598 -2.675 647 HG3 ARG 77 3HG ARG 77 -7.093 2.980 -1.807 648 HD2 ARG 77 2HD ARG 77 -7.641 4.304 -4.000 649 HD3 ARG 77 3HD ARG 77 -8.696 2.932 -4.359 650 HE ARG 77 HE ARG 77 -9.017 4.209 -1.738 651 HH11 ARG 77 1HH1 ARG 77 -10.208 3.954 -5.038 652 HH12 ARG 77 2HH1 ARG 77 -11.754 4.643 -4.663 653 HH21 ARG 77 1HH2 ARG 77 -11.016 5.144 -1.250 654 HH22 ARG 77 2HH2 ARG 77 -12.222 5.322 -2.492 655 H ILE 78 H ILE 78 -3.477 0.875 -4.116 656 HA ILE 78 HA ILE 78 -2.032 2.674 -5.705 657 HB ILE 78 HB ILE 78 0.037 1.454 -5.130 658 HG12 ILE 78 2HG1 ILE 78 -1.750 -0.661 -3.828 659 HG13 ILE 78 3HG1 ILE 78 -0.815 -0.891 -5.297 660 HG21 ILE 78 1HG2 ILE 78 -0.888 3.027 -3.487 661 HG22 ILE 78 2HG2 ILE 78 -0.059 1.697 -2.677 662 HG23 ILE 78 3HG2 ILE 78 -1.823 1.729 -2.745 663 HD11 ILE 78 3HD1 ILE 78 0.306 -0.401 -2.537 664 HD12 ILE 78 1HD1 ILE 78 1.259 -0.598 -4.013 665 HD13 ILE 78 2HD1 ILE 78 0.274 -1.931 -3.413 666 H GLU 79 H GLU 79 -2.946 -0.713 -6.253 667 HA GLU 79 HA GLU 79 -1.527 -1.060 -8.682 668 HB2 GLU 79 2HB GLU 79 -2.279 -3.016 -7.461 669 HB3 GLU 79 3HB GLU 79 -3.969 -2.529 -7.598 670 HG2 GLU 79 2HG GLU 79 -3.886 -2.840 -10.038 671 HG3 GLU 79 3HG GLU 79 -2.172 -3.242 -9.947 672 H GLU 80 H GLU 80 -4.933 -0.069 -7.994 673 HA GLU 80 HA GLU 80 -5.849 -0.088 -10.658 674 HB2 GLU 80 2HB GLU 80 -7.334 0.008 -8.651 675 HB3 GLU 80 3HB GLU 80 -6.861 1.681 -8.382 676 HG2 GLU 80 2HG GLU 80 -7.893 2.345 -10.494 677 HG3 GLU 80 3HG GLU 80 -8.279 0.670 -10.874 678 H GLU 81 H GLU 81 -4.086 2.348 -8.853 679 HA GLU 81 HA GLU 81 -4.391 4.422 -10.869 680 HB2 GLU 81 2HB GLU 81 -2.594 4.381 -8.413 681 HB3 GLU 81 3HB GLU 81 -3.003 5.789 -9.385 682 HG2 GLU 81 2HG GLU 81 -4.906 4.184 -7.656 683 HG3 GLU 81 3HG GLU 81 -4.256 5.781 -7.295 684 H LEU 82 H LEU 82 -1.792 2.234 -9.737 685 HA LEU 82 HA LEU 82 0.302 3.396 -11.313 686 HB2 LEU 82 2HB LEU 82 0.251 1.721 -9.145 687 HB3 LEU 82 3HB LEU 82 0.596 0.549 -10.392 688 HG LEU 82 HG LEU 82 2.301 2.991 -9.713 689 HD11 LEU 82 1HD1 LEU 82 2.828 0.053 -9.188 690 HD12 LEU 82 2HD1 LEU 82 2.374 1.259 -7.982 691 HD13 LEU 82 3HD1 LEU 82 3.916 1.395 -8.821 692 HD21 LEU 82 3HD2 LEU 82 2.892 0.765 -11.684 693 HD22 LEU 82 1HD2 LEU 82 3.998 2.057 -11.215 694 HD23 LEU 82 2HD2 LEU 82 2.519 2.441 -12.094 695 H ARG 83 H ARG 83 -2.034 0.874 -11.828 696 HA ARG 83 HA ARG 83 -0.792 -0.529 -13.966 697 HB2 ARG 83 2HB ARG 83 -2.588 -1.415 -12.416 698 HB3 ARG 83 3HB ARG 83 -3.756 -0.421 -13.277 699 HG2 ARG 83 2HG ARG 83 -3.225 -1.705 -15.368 700 HG3 ARG 83 3HG ARG 83 -2.147 -2.728 -14.413 701 HD2 ARG 83 2HD ARG 83 -4.060 -3.405 -12.995 702 HD3 ARG 83 3HD ARG 83 -5.137 -2.409 -13.972 703 HE ARG 83 HE ARG 83 -3.879 -4.949 -14.735 704 HH11 ARG 83 1HH1 ARG 83 -6.075 -2.356 -15.620 705 HH12 ARG 83 2HH1 ARG 83 -6.788 -3.249 -16.922 706 HH21 ARG 83 1HH2 ARG 83 -4.817 -6.103 -16.431 707 HH22 ARG 83 2HH2 ARG 83 -6.071 -5.381 -17.385 708 H LYS 84 H LYS 84 -2.674 2.362 -13.784 709 HA LYS 84 HA LYS 84 -3.522 2.594 -16.477 710 HB2 LYS 84 2HB LYS 84 -2.935 4.819 -14.475 711 HB3 LYS 84 3HB LYS 84 -3.880 4.986 -15.956 712 HG2 LYS 84 2HG LYS 84 -5.516 3.324 -15.042 713 HG3 LYS 84 3HG LYS 84 -4.596 3.305 -13.534 714 HD2 LYS 84 2HD LYS 84 -5.027 5.773 -13.314 715 HD3 LYS 84 3HD LYS 84 -6.059 5.686 -14.746 716 HE2 LYS 84 2HE LYS 84 -6.501 4.311 -12.073 717 HE3 LYS 84 3HE LYS 84 -7.460 5.615 -12.772 718 HZ1 LYS 84 3HZ LYS 84 -7.259 2.828 -13.782 719 HZ2 LYS 84 1HZ LYS 84 -8.086 4.074 -14.575 720 HZ3 LYS 84 2HZ LYS 84 -8.601 3.550 -13.057 721 H ARG 85 H ARG 85 -0.478 3.417 -14.841 722 HA ARG 85 HA ARG 85 0.659 4.545 -17.313 723 HB2 ARG 85 2HB ARG 85 1.113 5.429 -14.871 724 HB3 ARG 85 3HB ARG 85 2.240 4.083 -14.757 725 HG2 ARG 85 2HG ARG 85 3.216 5.069 -17.020 726 HG3 ARG 85 3HG ARG 85 2.370 6.535 -16.521 727 HD2 ARG 85 2HD ARG 85 4.623 6.750 -15.753 728 HD3 ARG 85 3HD ARG 85 3.659 6.380 -14.319 729 HE ARG 85 HE ARG 85 4.498 4.155 -14.350 730 HH11 ARG 85 1HH1 ARG 85 6.160 6.263 -16.631 731 HH12 ARG 85 2HH1 ARG 85 7.527 5.205 -16.783 732 HH21 ARG 85 1HH2 ARG 85 6.226 2.722 -14.675 733 HH22 ARG 85 2HH2 ARG 85 7.568 3.207 -15.681 734 H ASP 86 H ASP 86 0.680 1.632 -15.400 735 HA ASP 86 HA ASP 86 2.751 0.361 -17.093 736 HB2 ASP 86 2HB ASP 86 2.461 0.224 -14.066 737 HB3 ASP 86 3HB ASP 86 3.402 -0.949 -14.978 738 HA PRO 87 HA PRO 87 -1.010 -2.355 -17.533 739 HB2 PRO 87 2HB PRO 87 0.865 -3.524 -19.601 740 HB3 PRO 87 3HB PRO 87 -0.860 -3.110 -19.737 741 HG2 PRO 87 2HG PRO 87 0.955 -1.543 -20.863 742 HG3 PRO 87 3HG PRO 87 -0.443 -0.829 -20.024 743 HD2 PRO 87 2HD PRO 87 2.404 -1.094 -19.056 744 HD3 PRO 87 3HD PRO 87 1.278 0.275 -18.887 745 H ASN 88 H ASN 88 2.356 -3.114 -16.926 746 HA ASN 88 HA ASN 88 1.628 -5.730 -15.722 747 HB2 ASN 88 2HB ASN 88 4.238 -4.857 -17.056 748 HB3 ASN 88 3HB ASN 88 4.065 -6.345 -16.133 749 HD21 ASN 88 1HD2 ASN 88 2.973 -8.090 -17.057 750 HD22 ASN 88 2HD2 ASN 88 2.498 -8.126 -18.718 751 H ALA 89 H ALA 89 1.339 -3.230 -14.334 752 HA ALA 89 HA ALA 89 3.514 -2.826 -12.501 753 HB1 ALA 89 3HB ALA 89 1.913 -1.484 -11.190 754 HB2 ALA 89 1HB ALA 89 0.574 -2.105 -12.158 755 HB3 ALA 89 2HB ALA 89 1.802 -1.080 -12.902 756 H THR 90 H THR 90 3.958 -5.121 -12.041 757 HA THR 90 HA THR 90 1.936 -6.751 -10.735 758 HB THR 90 HB THR 90 4.840 -7.344 -11.471 759 HG1 THR 90 HG1 THR 90 2.416 -7.455 -12.867 760 HG21 THR 90 3HG2 THR 90 4.205 -9.723 -11.282 761 HG22 THR 90 1HG2 THR 90 2.594 -9.257 -10.733 762 HG23 THR 90 2HG2 THR 90 4.006 -8.896 -9.736 763 H ILE 91 H ILE 91 1.810 -7.067 -8.578 764 HA ILE 91 HA ILE 91 3.995 -6.114 -6.813 765 HB ILE 91 HB ILE 91 2.369 -5.589 -5.065 766 HG12 ILE 91 2HG1 ILE 91 0.541 -7.265 -5.766 767 HG13 ILE 91 3HG1 ILE 91 -0.029 -5.693 -5.236 768 HG21 ILE 91 1HG2 ILE 91 1.319 -3.589 -6.082 769 HG22 ILE 91 2HG2 ILE 91 1.664 -4.236 -7.687 770 HG23 ILE 91 3HG2 ILE 91 2.992 -3.808 -6.610 771 HD11 ILE 91 3HD1 ILE 91 -0.395 -5.038 -7.564 772 HD12 ILE 91 1HD1 ILE 91 -1.284 -6.504 -7.148 773 HD13 ILE 91 2HD1 ILE 91 0.191 -6.612 -8.101 774 H THR 92 H THR 92 4.888 -7.595 -5.534 775 HA THR 92 HA THR 92 3.810 -10.330 -5.415 776 HB THR 92 HB THR 92 6.587 -9.267 -4.658 777 HG1 THR 92 HG1 THR 92 5.521 -10.420 -7.013 778 HG21 THR 92 3HG2 THR 92 6.021 -11.344 -3.440 779 HG22 THR 92 1HG2 THR 92 7.269 -11.639 -4.653 780 HG23 THR 92 2HG2 THR 92 5.602 -12.127 -4.966 781 H ARG 93 H ARG 93 2.467 -10.529 -3.689 782 HA ARG 93 HA ARG 93 2.782 -8.772 -1.347 783 HB2 ARG 93 2HB ARG 93 0.660 -8.845 -2.673 784 HB3 ARG 93 3HB ARG 93 0.455 -10.533 -2.222 785 HG2 ARG 93 2HG ARG 93 0.131 -9.934 0.106 786 HG3 ARG 93 3HG ARG 93 0.563 -8.251 -0.225 787 HD2 ARG 93 2HD ARG 93 -1.875 -9.722 -1.289 788 HD3 ARG 93 3HD ARG 93 -1.870 -8.467 -0.042 789 HE ARG 93 HE ARG 93 -1.063 -6.899 -1.774 790 HH11 ARG 93 1HH1 ARG 93 -2.639 -9.823 -2.915 791 HH12 ARG 93 2HH1 ARG 93 -3.086 -9.129 -4.439 792 HH21 ARG 93 1HH2 ARG 93 -1.623 -5.996 -3.742 793 HH22 ARG 93 2HH2 ARG 93 -2.507 -6.928 -4.922 794 H THR 94 H THR 94 3.934 -9.630 0.269 795 HA THR 94 HA THR 94 3.394 -12.414 1.156 796 HB THR 94 HB THR 94 6.094 -10.969 1.294 797 HG1 THR 94 HG1 THR 94 6.093 -11.558 -0.760 798 HG21 THR 94 3HG2 THR 94 5.734 -12.622 3.114 799 HG22 THR 94 1HG2 THR 94 6.982 -13.159 1.981 800 HG23 THR 94 2HG2 THR 94 5.366 -13.857 1.910 801 H VAL 95 H VAL 95 2.461 -12.321 3.165 802 HA VAL 95 HA VAL 95 2.420 -9.872 4.663 803 HB VAL 95 HB VAL 95 0.463 -11.480 4.582 804 HG11 VAL 95 1HG1 VAL 95 0.385 -13.409 6.108 805 HG12 VAL 95 2HG1 VAL 95 2.084 -13.158 6.517 806 HG13 VAL 95 3HG1 VAL 95 1.631 -13.607 4.872 807 HG21 VAL 95 3HG2 VAL 95 0.552 -9.669 6.234 808 HG22 VAL 95 1HG2 VAL 95 1.434 -10.705 7.355 809 HG23 VAL 95 2HG2 VAL 95 -0.238 -11.088 6.927 810 H ARG 96 H ARG 96 3.703 -9.282 6.316 811 HA ARG 96 HA ARG 96 6.123 -10.837 6.776 812 HB2 ARG 96 2HB ARG 96 6.083 -8.313 6.291 813 HB3 ARG 96 3HB ARG 96 5.459 -8.095 7.924 814 HG2 ARG 96 2HG ARG 96 7.848 -7.715 7.947 815 HG3 ARG 96 3HG ARG 96 7.501 -9.208 8.822 816 HD2 ARG 96 2HD ARG 96 8.074 -10.473 6.684 817 HD3 ARG 96 3HD ARG 96 8.649 -8.941 6.016 818 HE ARG 96 HE ARG 96 9.775 -9.909 8.557 819 HH11 ARG 96 1HH1 ARG 96 10.276 -9.346 5.112 820 HH12 ARG 96 2HH1 ARG 96 11.994 -9.519 5.222 821 HH21 ARG 96 1HH2 ARG 96 12.024 -10.132 8.664 822 HH22 ARG 96 2HH2 ARG 96 12.985 -9.961 7.229 823 H THR 97 H THR 97 3.489 -9.414 8.741 824 HA THR 97 HA THR 97 4.105 -10.942 11.107 825 HB THR 97 HB THR 97 1.481 -9.556 10.355 826 HG1 THR 97 HG1 THR 97 3.909 -8.616 11.432 827 HG21 THR 97 3HG2 THR 97 1.242 -11.149 12.242 828 HG22 THR 97 1HG2 THR 97 1.088 -9.481 12.797 829 HG23 THR 97 2HG2 THR 97 2.589 -10.369 13.075 830 H GLU 98 H GLU 98 3.990 -13.110 10.906 831 HA GLU 98 HA GLU 98 1.686 -14.374 9.531 832 HB2 GLU 98 2HB GLU 98 3.468 -16.328 9.159 833 HB3 GLU 98 3HB GLU 98 3.340 -14.991 8.029 834 HG2 GLU 98 2HG GLU 98 5.676 -15.563 8.483 835 HG3 GLU 98 3HG GLU 98 5.304 -13.920 8.991 836 H VAL 99 H VAL 99 0.943 -16.352 10.428 837 HA VAL 99 HA VAL 99 1.681 -16.807 13.260 838 HB VAL 99 HB VAL 99 -0.778 -17.373 13.668 839 HG11 VAL 99 1HG1 VAL 99 -0.162 -14.483 12.935 840 HG12 VAL 99 2HG1 VAL 99 0.196 -15.266 14.476 841 HG13 VAL 99 3HG1 VAL 99 -1.479 -15.026 13.982 842 HG21 VAL 99 3HG2 VAL 99 -2.486 -16.392 12.153 843 HG22 VAL 99 1HG2 VAL 99 -1.543 -17.645 11.338 844 HG23 VAL 99 2HG2 VAL 99 -1.216 -15.943 11.011 845 H GLY 100 H GLY 100 2.319 -18.819 13.653 846 HA2 GLY 100 2HA GLY 100 1.796 -20.954 11.663 847 HA3 GLY 100 3HA GLY 100 3.200 -20.846 12.712 848 H SER 101 H SER 101 -0.342 -21.165 12.827 849 HA SER 101 HA SER 101 -0.406 -22.337 15.450 850 HB2 SER 101 2HB SER 101 -2.547 -22.275 13.280 851 HB3 SER 101 3HB SER 101 -2.804 -22.687 14.979 852 HG SER 101 HG SER 101 -2.558 -20.240 13.792 853 H SER 102 H SER 102 1.009 -24.095 15.359 854 HA SER 102 HA SER 102 0.568 -26.345 13.577 855 HB2 SER 102 2HB SER 102 2.417 -27.386 14.960 856 HB3 SER 102 3HB SER 102 2.852 -25.836 14.245 857 HG SER 102 HG SER 102 2.277 -26.456 16.939 858 H TRP 103 H TRP 103 -1.018 -27.801 13.933 859 HA TRP 103 HA TRP 103 -1.782 -28.644 16.622 860 HB2 TRP 103 2HB TRP 103 -3.126 -26.580 16.175 861 HB3 TRP 103 3HB TRP 103 -3.779 -27.311 14.716 862 HD1 TRP 103 HD1 TRP 103 -3.550 -28.944 18.253 863 HE1 TRP 103 HE1 TRP 103 -5.940 -29.543 19.005 864 HE3 TRP 103 HE3 TRP 103 -6.180 -26.962 14.327 865 HZ2 TRP 103 HZ2 TRP 103 -8.580 -29.214 18.080 866 HZ3 TRP 103 HZ3 TRP 103 -8.639 -27.136 14.340 867 HH2 TRP 103 HH2 TRP 103 -9.815 -28.242 16.180 868 H SER 104 H SER 104 -1.278 -30.720 16.211 869 HA SER 104 HA SER 104 -2.019 -32.080 13.742 870 HB2 SER 104 2HB SER 104 -0.555 -33.152 16.199 871 HB3 SER 104 3HB SER 104 -0.672 -33.936 14.621 872 HG SER 104 HG SER 104 1.052 -32.040 15.471 873 H LEU 105 H LEU 105 -3.901 -33.139 13.549 874 HA LEU 105 HA LEU 105 -5.216 -34.324 15.936 875 HB2 LEU 105 2HB LEU 105 -6.555 -33.519 13.310 876 HB3 LEU 105 3HB LEU 105 -7.342 -34.267 14.688 877 HG LEU 105 HG LEU 105 -6.624 -32.119 16.014 878 HD11 LEU 105 1HD1 LEU 105 -5.078 -31.198 14.364 879 HD12 LEU 105 2HD1 LEU 105 -6.408 -30.085 14.664 880 HD13 LEU 105 3HD1 LEU 105 -6.386 -31.051 13.189 881 HD21 LEU 105 3HD2 LEU 105 -8.661 -30.937 15.328 882 HD22 LEU 105 1HD2 LEU 105 -8.950 -32.674 15.464 883 HD23 LEU 105 2HD2 LEU 105 -8.765 -31.934 13.874 884 H GLU 106 H GLU 106 -5.866 -36.446 15.823 885 HA GLU 106 HA GLU 106 -5.799 -37.921 13.305 886 HB2 GLU 106 2HB GLU 106 -4.492 -39.789 14.246 887 HB3 GLU 106 3HB GLU 106 -3.541 -38.312 14.206 888 HG2 GLU 106 2HG GLU 106 -3.839 -38.008 16.617 889 HG3 GLU 106 3HG GLU 106 -4.888 -39.422 16.695 890 H HIS 107 H HIS 107 -7.105 -39.818 13.363 891 HA HIS 107 HA HIS 107 -8.761 -40.193 15.778 892 HB2 HIS 107 2HB HIS 107 -10.020 -38.696 14.249 893 HB3 HIS 107 3HB HIS 107 -9.870 -39.879 12.954 894 HD1 HIS 107 HD1 HIS 107 -11.433 -39.547 16.400 895 HD2 HIS 107 HD2 HIS 107 -11.927 -41.736 12.898 896 HE1 HIS 107 HE1 HIS 107 -13.511 -40.907 16.735 897 HE2 HIS 107 HE2 HIS 107 -13.720 -42.300 14.665 898 H HIS 108 H HIS 108 -8.913 -42.251 16.306 899 HA HIS 108 HA HIS 108 -8.330 -44.383 14.349 900 HB2 HIS 108 2HB HIS 108 -8.515 -44.468 17.400 901 HB3 HIS 108 3HB HIS 108 -8.178 -45.861 16.375 902 HD1 HIS 108 HD1 HIS 108 -5.776 -46.221 15.665 903 HD2 HIS 108 HD2 HIS 108 -6.389 -42.496 17.418 904 HE1 HIS 108 HE1 HIS 108 -3.488 -45.230 15.993 905 HE2 HIS 108 HE2 HIS 108 -3.882 -42.998 17.083 906 H HIS 109 H HIS 109 -9.815 -46.135 14.123 907 HA HIS 109 HA HIS 109 -12.548 -45.811 15.151 908 HB2 HIS 109 2HB HIS 109 -12.429 -44.510 13.000 909 HB3 HIS 109 3HB HIS 109 -11.893 -45.963 12.166 910 HD1 HIS 109 HD1 HIS 109 -14.897 -44.836 14.213 911 HD2 HIS 109 HD2 HIS 109 -13.980 -47.332 11.021 912 HE1 HIS 109 HE1 HIS 109 -17.089 -45.734 13.412 913 HE2 HIS 109 HE2 HIS 109 -16.517 -47.215 11.467 914 H HIS 110 H HIS 110 -13.822 -47.758 14.893 915 HA HIS 110 HA HIS 110 -12.209 -50.234 14.575 916 HB2 HIS 110 2HB HIS 110 -14.818 -49.759 16.091 917 HB3 HIS 110 3HB HIS 110 -14.003 -51.312 15.952 918 HD1 HIS 110 HD1 HIS 110 -12.218 -51.817 17.664 919 HD2 HIS 110 HD2 HIS 110 -13.370 -47.825 17.699 920 HE1 HIS 110 HE1 HIS 110 -11.152 -50.819 19.706 921 HE2 HIS 110 HE2 HIS 110 -11.670 -48.370 19.564 922 H HIS 111 H HIS 111 -12.632 -51.419 12.762 923 HA HIS 111 HA HIS 111 -15.235 -51.191 11.382 924 HB2 HIS 111 2HB HIS 111 -12.733 -52.767 10.592 925 HB3 HIS 111 3HB HIS 111 -14.212 -52.673 9.641 926 HD1 HIS 111 HD1 HIS 111 -11.416 -51.765 8.607 927 HD2 HIS 111 HD2 HIS 111 -14.294 -49.229 10.196 928 HE1 HIS 111 HE1 HIS 111 -10.943 -49.507 7.629 929 HE2 HIS 111 HE2 HIS 111 -12.831 -48.060 8.419 930 H HIS 112 H HIS 112 -13.083 -53.910 12.264 931 HA HIS 112 HA HIS 112 -14.673 -55.099 14.229 932 HB2 HIS 112 2HB HIS 112 -16.254 -55.704 12.419 933 HB3 HIS 112 3HB HIS 112 -14.956 -56.438 11.485 934 HD1 HIS 112 HD1 HIS 112 -14.883 -58.899 11.690 935 HD2 HIS 112 HD2 HIS 112 -16.542 -57.146 15.072 936 HE1 HIS 112 HE1 HIS 112 -15.538 -60.804 13.186 937 HE2 HIS 112 HE2 HIS 112 -16.316 -59.709 15.303 Start of MODEL 6 1 H1 MET 1 1H MET 1 -6.419 -4.020 20.916 2 H2 MET 1 2H MET 1 -4.855 -4.464 21.369 3 H3 MET 1 3H MET 1 -5.831 -5.560 20.541 4 HA MET 1 HA MET 1 -5.829 -4.230 18.612 5 HB2 MET 1 2HB MET 1 -5.721 -2.017 19.642 6 HB3 MET 1 3HB MET 1 -4.104 -2.326 20.261 7 HG2 MET 1 2HG MET 1 -3.167 -2.240 18.045 8 HG3 MET 1 3HG MET 1 -4.765 -2.239 17.310 9 HE1 MET 1 3HE MET 1 -6.077 1.354 18.152 10 HE2 MET 1 1HE MET 1 -6.426 -0.148 19.001 11 HE3 MET 1 2HE MET 1 -6.391 -0.121 17.235 12 H LEU 2 H LEU 2 -4.539 -5.159 17.083 13 HA LEU 2 HA LEU 2 -1.836 -6.081 17.885 14 HB2 LEU 2 2HB LEU 2 -2.059 -7.797 16.034 15 HB3 LEU 2 3HB LEU 2 -3.121 -8.019 17.405 16 HG LEU 2 HG LEU 2 -4.989 -6.951 15.992 17 HD11 LEU 2 1HD1 LEU 2 -4.810 -7.069 13.551 18 HD12 LEU 2 2HD1 LEU 2 -3.097 -7.482 13.682 19 HD13 LEU 2 3HD1 LEU 2 -3.670 -5.905 14.228 20 HD21 LEU 2 3HD2 LEU 2 -3.877 -9.617 15.066 21 HD22 LEU 2 1HD2 LEU 2 -5.537 -9.044 14.855 22 HD23 LEU 2 2HD2 LEU 2 -4.910 -9.346 16.473 23 H THR 3 H THR 3 -0.155 -5.951 16.296 24 HA THR 3 HA THR 3 -0.602 -3.945 14.162 25 HB THR 3 HB THR 3 2.051 -4.479 15.589 26 HG1 THR 3 HG1 THR 3 0.049 -3.267 16.662 27 HG21 THR 3 3HG2 THR 3 1.187 -2.233 13.732 28 HG22 THR 3 1HG2 THR 3 2.271 -3.555 13.303 29 HG23 THR 3 2HG2 THR 3 2.758 -2.378 14.524 30 H VAL 4 H VAL 4 -0.509 -4.852 12.199 31 HA VAL 4 HA VAL 4 1.032 -7.341 11.759 32 HB VAL 4 HB VAL 4 -1.390 -7.507 11.250 33 HG11 VAL 4 1HG1 VAL 4 -0.926 -5.387 9.127 34 HG12 VAL 4 2HG1 VAL 4 -1.867 -5.189 10.605 35 HG13 VAL 4 3HG1 VAL 4 -2.413 -6.311 9.359 36 HG21 VAL 4 3HG2 VAL 4 0.178 -8.927 10.011 37 HG22 VAL 4 1HG2 VAL 4 0.371 -7.680 8.774 38 HG23 VAL 4 2HG2 VAL 4 -1.186 -8.487 8.982 39 H GLU 5 H GLU 5 2.725 -7.305 10.393 40 HA GLU 5 HA GLU 5 3.211 -4.945 8.686 41 HB2 GLU 5 2HB GLU 5 5.062 -7.290 9.259 42 HB3 GLU 5 3HB GLU 5 5.477 -5.816 8.391 43 HG2 GLU 5 2HG GLU 5 5.245 -4.497 10.454 44 HG3 GLU 5 3HG GLU 5 4.714 -5.931 11.332 45 H VAL 6 H VAL 6 3.330 -5.155 6.495 46 HA VAL 6 HA VAL 6 3.106 -7.763 5.204 47 HB VAL 6 HB VAL 6 0.761 -7.013 5.487 48 HG11 VAL 6 1HG1 VAL 6 1.077 -4.592 5.531 49 HG12 VAL 6 2HG1 VAL 6 -0.118 -5.037 4.312 50 HG13 VAL 6 3HG1 VAL 6 1.520 -4.599 3.822 51 HG21 VAL 6 3HG2 VAL 6 1.693 -6.943 2.593 52 HG22 VAL 6 1HG2 VAL 6 0.043 -7.268 3.134 53 HG23 VAL 6 2HG2 VAL 6 1.342 -8.390 3.538 54 H GLU 7 H GLU 7 4.298 -7.870 3.439 55 HA GLU 7 HA GLU 7 5.770 -5.501 2.486 56 HB2 GLU 7 2HB GLU 7 7.077 -7.428 3.354 57 HB3 GLU 7 3HB GLU 7 6.295 -8.497 2.196 58 HG2 GLU 7 2HG GLU 7 7.330 -7.173 0.342 59 HG3 GLU 7 3HG GLU 7 8.191 -6.214 1.545 60 H VAL 8 H VAL 8 4.933 -4.629 0.638 61 HA VAL 8 HA VAL 8 3.742 -6.423 -1.416 62 HB VAL 8 HB VAL 8 3.530 -3.360 -1.339 63 HG11 VAL 8 1HG1 VAL 8 1.888 -5.436 -2.850 64 HG12 VAL 8 2HG1 VAL 8 3.131 -4.386 -3.537 65 HG13 VAL 8 3HG1 VAL 8 1.645 -3.688 -2.895 66 HG21 VAL 8 3HG2 VAL 8 1.267 -3.569 -0.385 67 HG22 VAL 8 1HG2 VAL 8 2.489 -4.196 0.722 68 HG23 VAL 8 2HG2 VAL 8 1.486 -5.313 -0.204 69 H LYS 9 H LYS 9 5.470 -7.051 -2.629 70 HA LYS 9 HA LYS 9 7.682 -5.231 -3.240 71 HB2 LYS 9 2HB LYS 9 8.161 -7.530 -2.457 72 HB3 LYS 9 3HB LYS 9 7.272 -8.211 -3.819 73 HG2 LYS 9 2HG LYS 9 8.917 -7.427 -5.398 74 HG3 LYS 9 3HG LYS 9 9.725 -6.434 -4.184 75 HD2 LYS 9 2HD LYS 9 9.596 -9.478 -4.143 76 HD3 LYS 9 3HD LYS 9 10.970 -8.524 -4.702 77 HE2 LYS 9 2HE LYS 9 11.200 -7.533 -2.443 78 HE3 LYS 9 3HE LYS 9 9.838 -8.504 -1.883 79 HZ1 LYS 9 3HZ LYS 9 11.881 -9.549 -1.271 80 HZ2 LYS 9 1HZ LYS 9 12.446 -9.518 -2.858 81 HZ3 LYS 9 2HZ LYS 9 11.136 -10.500 -2.448 82 H ILE 10 H ILE 10 7.264 -3.920 -4.896 83 HA ILE 10 HA ILE 10 5.428 -4.700 -7.076 84 HB ILE 10 HB ILE 10 6.427 -1.929 -6.240 85 HG12 ILE 10 2HG1 ILE 10 3.721 -3.215 -5.633 86 HG13 ILE 10 3HG1 ILE 10 5.028 -3.030 -4.472 87 HG21 ILE 10 1HG2 ILE 10 4.190 -2.686 -8.164 88 HG22 ILE 10 2HG2 ILE 10 5.759 -2.012 -8.611 89 HG23 ILE 10 3HG2 ILE 10 4.622 -1.047 -7.675 90 HD11 ILE 10 3HD1 ILE 10 4.849 -0.600 -4.655 91 HD12 ILE 10 1HD1 ILE 10 3.340 -1.352 -4.140 92 HD13 ILE 10 2HD1 ILE 10 3.517 -0.788 -5.801 93 H THR 11 H THR 11 6.723 -5.663 -8.617 94 HA THR 11 HA THR 11 9.150 -4.285 -9.537 95 HB THR 11 HB THR 11 9.422 -6.675 -9.297 96 HG1 THR 11 HG1 THR 11 10.536 -5.787 -11.012 97 HG21 THR 11 3HG2 THR 11 7.105 -7.478 -9.563 98 HG22 THR 11 1HG2 THR 11 8.207 -8.345 -10.635 99 HG23 THR 11 2HG2 THR 11 7.156 -7.085 -11.283 100 H ALA 12 H ALA 12 8.977 -2.810 -11.098 101 HA ALA 12 HA ALA 12 6.639 -2.812 -12.933 102 HB1 ALA 12 3HB ALA 12 6.211 -1.240 -11.071 103 HB2 ALA 12 1HB ALA 12 6.412 -0.384 -12.602 104 HB3 ALA 12 2HB ALA 12 7.728 -0.407 -11.422 105 H ASP 13 H ASP 13 7.018 -1.125 -14.728 106 HA ASP 13 HA ASP 13 9.565 -1.673 -16.004 107 HB2 ASP 13 2HB ASP 13 7.531 -1.572 -17.385 108 HB3 ASP 13 3HB ASP 13 7.223 0.079 -16.870 109 H ASP 14 H ASP 14 7.815 1.240 -14.972 110 HA ASP 14 HA ASP 14 10.350 2.750 -14.810 111 HB2 ASP 14 2HB ASP 14 8.330 3.553 -16.296 112 HB3 ASP 14 3HB ASP 14 7.576 4.019 -14.775 113 H GLU 15 H GLU 15 10.984 1.997 -12.820 114 HA GLU 15 HA GLU 15 9.307 1.551 -10.581 115 HB2 GLU 15 2HB GLU 15 11.301 0.937 -9.364 116 HB3 GLU 15 3HB GLU 15 11.485 0.361 -11.012 117 HG2 GLU 15 2HG GLU 15 12.813 2.787 -9.787 118 HG3 GLU 15 3HG GLU 15 13.591 1.263 -10.194 119 H ASN 16 H ASN 16 11.078 4.455 -11.573 120 HA ASN 16 HA ASN 16 10.996 5.693 -8.959 121 HB2 ASN 16 2HB ASN 16 11.833 7.746 -10.043 122 HB3 ASN 16 3HB ASN 16 12.780 6.340 -10.518 123 HD21 ASN 16 1HD2 ASN 16 12.754 5.685 -12.677 124 HD22 ASN 16 2HD2 ASN 16 12.013 6.604 -13.935 125 H LYS 17 H LYS 17 8.967 5.928 -11.930 126 HA LYS 17 HA LYS 17 7.102 7.779 -10.820 127 HB2 LYS 17 2HB LYS 17 6.403 5.587 -12.841 128 HB3 LYS 17 3HB LYS 17 5.463 7.024 -12.474 129 HG2 LYS 17 2HG LYS 17 8.066 6.847 -13.964 130 HG3 LYS 17 3HG LYS 17 6.507 7.389 -14.568 131 HD2 LYS 17 2HD LYS 17 6.653 9.428 -13.222 132 HD3 LYS 17 3HD LYS 17 8.159 8.869 -12.476 133 HE2 LYS 17 2HE LYS 17 7.730 9.590 -15.402 134 HE3 LYS 17 3HE LYS 17 8.719 10.455 -14.222 135 HZ1 LYS 17 3HZ LYS 17 10.168 8.530 -14.081 136 HZ2 LYS 17 1HZ LYS 17 10.072 9.089 -15.668 137 HZ3 LYS 17 2HZ LYS 17 9.230 7.694 -15.211 138 H ALA 18 H ALA 18 7.311 4.239 -10.875 139 HA ALA 18 HA ALA 18 4.936 3.496 -9.710 140 HB1 ALA 18 3HB ALA 18 6.020 1.389 -9.094 141 HB2 ALA 18 1HB ALA 18 7.616 2.117 -9.332 142 HB3 ALA 18 2HB ALA 18 6.528 1.899 -10.702 143 H GLU 19 H GLU 19 7.992 4.346 -8.062 144 HA GLU 19 HA GLU 19 7.098 3.858 -5.423 145 HB2 GLU 19 2HB GLU 19 9.489 3.974 -5.986 146 HB3 GLU 19 3HB GLU 19 9.348 5.685 -6.389 147 HG2 GLU 19 2HG GLU 19 8.831 6.237 -4.082 148 HG3 GLU 19 3HG GLU 19 8.772 4.540 -3.633 149 H GLU 20 H GLU 20 7.380 6.939 -7.269 150 HA GLU 20 HA GLU 20 6.476 8.653 -5.233 151 HB2 GLU 20 2HB GLU 20 6.379 9.005 -8.251 152 HB3 GLU 20 3HB GLU 20 6.017 10.289 -7.107 153 HG2 GLU 20 2HG GLU 20 8.671 8.853 -7.368 154 HG3 GLU 20 3HG GLU 20 8.305 10.463 -7.977 155 H ILE 21 H ILE 21 4.652 7.008 -7.787 156 HA ILE 21 HA ILE 21 2.121 8.134 -7.344 157 HB ILE 21 HB ILE 21 2.898 5.403 -8.472 158 HG12 ILE 21 2HG1 ILE 21 1.958 7.932 -9.919 159 HG13 ILE 21 3HG1 ILE 21 3.639 7.435 -9.782 160 HG21 ILE 21 1HG2 ILE 21 0.156 6.712 -8.526 161 HG22 ILE 21 2HG2 ILE 21 0.594 5.264 -7.617 162 HG23 ILE 21 3HG2 ILE 21 0.600 5.234 -9.382 163 HD11 ILE 21 3HD1 ILE 21 1.450 5.947 -11.221 164 HD12 ILE 21 1HD1 ILE 21 3.116 5.391 -11.039 165 HD13 ILE 21 2HD1 ILE 21 2.773 6.862 -11.948 166 H VAL 22 H VAL 22 3.539 5.054 -6.128 167 HA VAL 22 HA VAL 22 1.326 4.274 -4.566 168 HB VAL 22 HB VAL 22 4.278 3.512 -4.337 169 HG11 VAL 22 1HG1 VAL 22 3.562 1.558 -2.992 170 HG12 VAL 22 2HG1 VAL 22 1.912 2.186 -2.941 171 HG13 VAL 22 3HG1 VAL 22 3.221 3.075 -2.157 172 HG21 VAL 22 3HG2 VAL 22 3.155 2.895 -6.453 173 HG22 VAL 22 1HG2 VAL 22 1.905 2.033 -5.550 174 HG23 VAL 22 2HG2 VAL 22 3.577 1.465 -5.514 175 H LYS 23 H LYS 23 4.187 6.239 -3.705 176 HA LYS 23 HA LYS 23 3.836 6.511 -0.952 177 HB2 LYS 23 2HB LYS 23 4.962 8.451 -3.010 178 HB3 LYS 23 3HB LYS 23 5.008 8.781 -1.280 179 HG2 LYS 23 2HG LYS 23 6.454 6.901 -0.868 180 HG3 LYS 23 3HG LYS 23 6.242 6.303 -2.517 181 HD2 LYS 23 2HD LYS 23 8.439 7.409 -2.214 182 HD3 LYS 23 3HD LYS 23 7.445 8.230 -3.418 183 HE2 LYS 23 2HE LYS 23 6.850 9.948 -1.758 184 HE3 LYS 23 3HE LYS 23 7.829 9.125 -0.544 185 HZ1 LYS 23 3HZ LYS 23 8.971 11.012 -1.602 186 HZ2 LYS 23 1HZ LYS 23 8.887 10.219 -3.090 187 HZ3 LYS 23 2HZ LYS 23 9.781 9.547 -1.827 188 H ARG 24 H ARG 24 2.709 8.787 -3.503 189 HA ARG 24 HA ARG 24 1.224 10.477 -1.834 190 HB2 ARG 24 2HB ARG 24 1.778 11.225 -4.082 191 HB3 ARG 24 3HB ARG 24 0.888 9.888 -4.812 192 HG2 ARG 24 2HG ARG 24 -1.235 10.818 -3.942 193 HG3 ARG 24 3HG ARG 24 -0.354 12.144 -3.192 194 HD2 ARG 24 2HD ARG 24 0.251 13.044 -5.365 195 HD3 ARG 24 3HD ARG 24 -0.415 11.623 -6.174 196 HE ARG 24 HE ARG 24 -2.500 12.518 -6.010 197 HH11 ARG 24 1HH1 ARG 24 -0.463 14.284 -3.733 198 HH12 ARG 24 2HH1 ARG 24 -1.693 15.442 -3.344 199 HH21 ARG 24 1HH2 ARG 24 -4.116 14.016 -5.452 200 HH22 ARG 24 2HH2 ARG 24 -3.770 15.286 -4.321 201 H VAL 25 H VAL 25 0.270 7.580 -3.647 202 HA VAL 25 HA VAL 25 -2.502 7.851 -3.268 203 HB VAL 25 HB VAL 25 -0.822 5.420 -4.049 204 HG11 VAL 25 1HG1 VAL 25 -3.857 5.676 -4.093 205 HG12 VAL 25 2HG1 VAL 25 -2.922 4.602 -3.050 206 HG13 VAL 25 3HG1 VAL 25 -2.928 4.349 -4.793 207 HG21 VAL 25 3HG2 VAL 25 -0.843 7.311 -5.658 208 HG22 VAL 25 1HG2 VAL 25 -2.604 7.268 -5.693 209 HG23 VAL 25 2HG2 VAL 25 -1.674 5.906 -6.325 210 H ILE 26 H ILE 26 -0.037 6.070 -1.320 211 HA ILE 26 HA ILE 26 -1.902 4.822 0.455 212 HB ILE 26 HB ILE 26 1.008 5.599 1.005 213 HG12 ILE 26 2HG1 ILE 26 -0.078 2.841 0.263 214 HG13 ILE 26 3HG1 ILE 26 0.587 3.962 -0.921 215 HG21 ILE 26 1HG2 ILE 26 -0.791 3.673 2.554 216 HG22 ILE 26 2HG2 ILE 26 -0.192 5.231 3.132 217 HG23 ILE 26 3HG2 ILE 26 0.934 3.909 2.836 218 HD11 ILE 26 3HD1 ILE 26 2.083 2.852 1.445 219 HD12 ILE 26 1HD1 ILE 26 2.728 3.933 0.206 220 HD13 ILE 26 2HD1 ILE 26 2.213 2.303 -0.224 221 H ASP 27 H ASP 27 -0.250 7.959 0.459 222 HA ASP 27 HA ASP 27 -1.209 8.887 2.980 223 HB2 ASP 27 2HB ASP 27 0.658 9.956 1.701 224 HB3 ASP 27 3HB ASP 27 -0.500 10.518 0.499 225 H GLU 28 H GLU 28 -2.629 8.765 -0.238 226 HA GLU 28 HA GLU 28 -4.988 10.312 0.392 227 HB2 GLU 28 2HB GLU 28 -4.409 8.474 -1.976 228 HB3 GLU 28 3HB GLU 28 -5.783 9.561 -1.857 229 HG2 GLU 28 2HG GLU 28 -2.878 10.413 -1.951 230 HG3 GLU 28 3HG GLU 28 -3.982 10.438 -3.314 231 H VAL 29 H VAL 29 -4.036 6.914 0.587 232 HA VAL 29 HA VAL 29 -6.678 5.861 0.977 233 HB VAL 29 HB VAL 29 -4.090 4.561 2.008 234 HG11 VAL 29 1HG1 VAL 29 -5.399 2.448 1.840 235 HG12 VAL 29 2HG1 VAL 29 -6.824 3.369 1.362 236 HG13 VAL 29 3HG1 VAL 29 -6.127 3.592 2.967 237 HG21 VAL 29 3HG2 VAL 29 -4.148 3.178 -0.096 238 HG22 VAL 29 1HG2 VAL 29 -3.737 4.873 -0.340 239 HG23 VAL 29 2HG2 VAL 29 -5.349 4.301 -0.731 240 H GLU 30 H GLU 30 -4.069 7.082 3.044 241 HA GLU 30 HA GLU 30 -5.031 6.192 5.520 242 HB2 GLU 30 2HB GLU 30 -2.747 6.938 5.340 243 HB3 GLU 30 3HB GLU 30 -3.243 8.557 4.843 244 HG2 GLU 30 2HG GLU 30 -4.215 8.974 7.055 245 HG3 GLU 30 3HG GLU 30 -3.837 7.334 7.569 246 H ARG 31 H ARG 31 -5.567 9.285 3.807 247 HA ARG 31 HA ARG 31 -6.930 10.588 5.938 248 HB2 ARG 31 2HB ARG 31 -7.611 12.269 4.255 249 HB3 ARG 31 3HB ARG 31 -5.893 11.905 4.171 250 HG2 ARG 31 2HG ARG 31 -6.210 10.566 2.173 251 HG3 ARG 31 3HG ARG 31 -7.964 10.727 2.289 252 HD2 ARG 31 2HD ARG 31 -7.792 13.144 1.879 253 HD3 ARG 31 3HD ARG 31 -6.033 13.036 1.854 254 HE ARG 31 HE ARG 31 -6.116 12.284 -0.292 255 HH11 ARG 31 1HH1 ARG 31 -9.401 12.057 0.997 256 HH12 ARG 31 2HH1 ARG 31 -10.094 11.673 -0.548 257 HH21 ARG 31 1HH2 ARG 31 -7.048 11.782 -2.292 258 HH22 ARG 31 2HH2 ARG 31 -8.764 11.518 -2.406 259 H GLU 32 H GLU 32 -8.057 8.415 3.396 260 HA GLU 32 HA GLU 32 -10.876 8.912 4.009 261 HB2 GLU 32 2HB GLU 32 -11.420 7.458 2.155 262 HB3 GLU 32 3HB GLU 32 -10.160 8.566 1.634 263 HG2 GLU 32 2HG GLU 32 -8.482 6.789 1.906 264 HG3 GLU 32 3HG GLU 32 -9.733 5.665 2.419 265 H VAL 33 H VAL 33 -8.362 6.616 4.825 266 HA VAL 33 HA VAL 33 -10.127 4.603 5.930 267 HB VAL 33 HB VAL 33 -7.098 4.963 6.006 268 HG11 VAL 33 1HG1 VAL 33 -6.867 2.817 7.238 269 HG12 VAL 33 2HG1 VAL 33 -8.614 2.770 7.494 270 HG13 VAL 33 3HG1 VAL 33 -7.649 4.050 8.230 271 HG21 VAL 33 3HG2 VAL 33 -8.879 2.771 4.868 272 HG22 VAL 33 1HG2 VAL 33 -7.116 2.826 4.762 273 HG23 VAL 33 2HG2 VAL 33 -8.086 4.050 3.946 274 H GLN 34 H GLN 34 -8.578 7.515 7.156 275 HA GLN 34 HA GLN 34 -9.112 6.969 9.926 276 HB2 GLN 34 2HB GLN 34 -8.662 9.645 8.535 277 HB3 GLN 34 3HB GLN 34 -8.723 9.412 10.280 278 HG2 GLN 34 2HG GLN 34 -6.642 8.282 8.389 279 HG3 GLN 34 3HG GLN 34 -6.417 9.606 9.524 280 HE21 GLN 34 1HE2 GLN 34 -4.990 7.054 9.265 281 HE22 GLN 34 2HE2 GLN 34 -5.110 6.278 10.803 282 H LYS 35 H LYS 35 -11.124 7.758 7.293 283 HA LYS 35 HA LYS 35 -13.305 8.913 8.862 284 HB2 LYS 35 2HB LYS 35 -13.193 8.029 5.939 285 HB3 LYS 35 3HB LYS 35 -14.542 8.879 6.689 286 HG2 LYS 35 2HG LYS 35 -13.104 10.845 7.081 287 HG3 LYS 35 3HG LYS 35 -11.738 9.995 6.346 288 HD2 LYS 35 2HD LYS 35 -12.912 9.889 4.192 289 HD3 LYS 35 3HD LYS 35 -14.345 10.643 4.906 290 HE2 LYS 35 2HE LYS 35 -11.618 11.959 4.680 291 HE3 LYS 35 3HE LYS 35 -12.975 12.236 3.591 292 HZ1 LYS 35 3HZ LYS 35 -14.252 13.089 5.465 293 HZ2 LYS 35 1HZ LYS 35 -12.825 13.969 5.253 294 HZ3 LYS 35 2HZ LYS 35 -12.943 12.834 6.498 295 H GLN 36 H GLN 36 -12.128 5.805 8.004 296 HA GLN 36 HA GLN 36 -14.730 4.446 8.373 297 HB2 GLN 36 2HB GLN 36 -12.079 3.152 7.549 298 HB3 GLN 36 3HB GLN 36 -13.696 2.486 7.389 299 HG2 GLN 36 2HG GLN 36 -12.483 4.739 5.776 300 HG3 GLN 36 3HG GLN 36 -12.886 3.122 5.202 301 HE21 GLN 36 1HE2 GLN 36 -15.121 2.604 4.912 302 HE22 GLN 36 2HE2 GLN 36 -16.321 3.833 4.732 303 H TYR 37 H TYR 37 -11.439 4.608 9.531 304 HA TYR 37 HA TYR 37 -12.047 3.402 12.119 305 HB2 TYR 37 2HB TYR 37 -9.550 2.611 10.537 306 HB3 TYR 37 3HB TYR 37 -10.118 1.921 12.053 307 HD1 TYR 37 HD1 TYR 37 -12.554 0.806 11.895 308 HD2 TYR 37 HD2 TYR 37 -9.930 1.367 8.562 309 HE1 TYR 37 HE1 TYR 37 -13.704 -0.983 10.678 310 HE2 TYR 37 HE2 TYR 37 -11.096 -0.426 7.345 311 HH TYR 37 HH TYR 37 -12.459 -2.446 7.927 312 HA PRO 38 HA PRO 38 -9.718 7.473 12.472 313 HB2 PRO 38 2HB PRO 38 -11.192 7.437 15.111 314 HB3 PRO 38 3HB PRO 38 -11.017 8.746 13.918 315 HG2 PRO 38 2HG PRO 38 -13.324 7.451 14.142 316 HG3 PRO 38 3HG PRO 38 -12.711 7.917 12.536 317 HD2 PRO 38 2HD PRO 38 -12.630 5.208 13.877 318 HD3 PRO 38 3HD PRO 38 -13.015 5.626 12.189 319 H ASN 39 H ASN 39 -9.995 4.682 14.584 320 HA ASN 39 HA ASN 39 -7.676 5.456 16.236 321 HB2 ASN 39 2HB ASN 39 -9.600 3.098 16.465 322 HB3 ASN 39 3HB ASN 39 -8.301 3.450 17.602 323 HD21 ASN 39 1HD2 ASN 39 -11.424 4.462 16.429 324 HD22 ASN 39 2HD2 ASN 39 -11.778 5.570 17.705 325 H ALA 40 H ALA 40 -7.793 4.317 13.285 326 HA ALA 40 HA ALA 40 -5.886 2.093 13.547 327 HB1 ALA 40 3HB ALA 40 -7.135 3.360 11.082 328 HB2 ALA 40 1HB ALA 40 -7.669 1.878 11.878 329 HB3 ALA 40 2HB ALA 40 -6.091 1.936 11.092 330 H THR 41 H THR 41 -3.770 2.206 12.790 331 HA THR 41 HA THR 41 -2.672 4.846 12.012 332 HB THR 41 HB THR 41 -1.367 2.740 13.811 333 HG1 THR 41 HG1 THR 41 -2.520 5.292 14.397 334 HG21 THR 41 3HG2 THR 41 0.319 3.997 12.502 335 HG22 THR 41 1HG2 THR 41 0.386 4.434 14.208 336 HG23 THR 41 2HG2 THR 41 -0.380 5.523 13.051 337 H ILE 42 H ILE 42 -1.499 4.801 10.145 338 HA ILE 42 HA ILE 42 -0.743 2.185 8.945 339 HB ILE 42 HB ILE 42 -1.483 4.755 7.440 340 HG12 ILE 42 2HG1 ILE 42 -3.142 2.199 7.702 341 HG13 ILE 42 3HG1 ILE 42 -3.467 3.697 8.566 342 HG21 ILE 42 1HG2 ILE 42 -1.441 3.331 5.402 343 HG22 ILE 42 2HG2 ILE 42 -0.921 1.952 6.370 344 HG23 ILE 42 3HG2 ILE 42 0.135 3.356 6.199 345 HD11 ILE 42 3HD1 ILE 42 -3.548 3.336 5.575 346 HD12 ILE 42 1HD1 ILE 42 -3.861 4.841 6.446 347 HD13 ILE 42 2HD1 ILE 42 -4.929 3.456 6.663 348 H THR 43 H THR 43 1.414 2.106 9.524 349 HA THR 43 HA THR 43 3.237 4.317 8.923 350 HB THR 43 HB THR 43 3.802 1.495 9.986 351 HG1 THR 43 HG1 THR 43 2.540 3.053 11.335 352 HG21 THR 43 3HG2 THR 43 5.820 2.484 8.927 353 HG22 THR 43 1HG2 THR 43 6.001 2.402 10.680 354 HG23 THR 43 2HG2 THR 43 5.628 3.941 9.903 355 H ARG 44 H ARG 44 4.544 4.354 7.100 356 HA ARG 44 HA ARG 44 4.802 2.001 5.408 357 HB2 ARG 44 2HB ARG 44 4.092 3.106 3.330 358 HB3 ARG 44 3HB ARG 44 2.772 2.966 4.476 359 HG2 ARG 44 2HG ARG 44 4.332 5.534 4.050 360 HG3 ARG 44 3HG ARG 44 2.873 5.114 3.156 361 HD2 ARG 44 2HD ARG 44 1.687 4.924 5.410 362 HD3 ARG 44 3HD ARG 44 3.126 5.659 6.129 363 HE ARG 44 HE ARG 44 2.413 7.329 4.079 364 HH11 ARG 44 1HH1 ARG 44 0.859 6.192 6.993 365 HH12 ARG 44 2HH1 ARG 44 -0.123 7.603 7.178 366 HH21 ARG 44 1HH2 ARG 44 1.045 9.165 4.274 367 HH22 ARG 44 2HH2 ARG 44 -0.023 9.293 5.641 368 H THR 45 H THR 45 6.657 1.890 4.316 369 HA THR 45 HA THR 45 8.274 4.257 3.737 370 HB THR 45 HB THR 45 9.452 1.877 5.282 371 HG1 THR 45 HG1 THR 45 8.508 4.399 6.075 372 HG21 THR 45 3HG2 THR 45 11.514 3.249 5.397 373 HG22 THR 45 1HG2 THR 45 10.754 4.490 4.391 374 HG23 THR 45 2HG2 THR 45 11.097 2.892 3.723 375 H LEU 46 H LEU 46 8.867 4.076 1.643 376 HA LEU 46 HA LEU 46 8.902 1.436 0.313 377 HB2 LEU 46 2HB LEU 46 8.868 4.239 -0.905 378 HB3 LEU 46 3HB LEU 46 8.943 2.743 -1.819 379 HG LEU 46 HG LEU 46 6.676 2.128 -0.749 380 HD11 LEU 46 1HD1 LEU 46 5.236 3.977 -0.009 381 HD12 LEU 46 2HD1 LEU 46 6.612 5.082 -0.068 382 HD13 LEU 46 3HD1 LEU 46 6.608 3.735 1.073 383 HD21 LEU 46 3HD2 LEU 46 6.815 4.447 -2.692 384 HD22 LEU 46 1HD2 LEU 46 5.411 3.411 -2.423 385 HD23 LEU 46 2HD2 LEU 46 6.890 2.728 -3.086 386 H THR 47 H THR 47 10.690 0.756 -0.887 387 HA THR 47 HA THR 47 13.141 2.392 -0.898 388 HB THR 47 HB THR 47 13.059 -0.500 0.115 389 HG1 THR 47 HG1 THR 47 13.100 2.003 1.389 390 HG21 THR 47 3HG2 THR 47 15.460 -0.164 0.622 391 HG22 THR 47 1HG2 THR 47 15.402 1.430 -0.140 392 HG23 THR 47 2HG2 THR 47 15.156 -0.025 -1.108 393 H ARG 48 H ARG 48 13.969 2.376 -2.888 394 HA ARG 48 HA ARG 48 12.965 0.565 -4.926 395 HB2 ARG 48 2HB ARG 48 14.395 3.203 -4.922 396 HB3 ARG 48 3HB ARG 48 14.707 2.166 -6.309 397 HG2 ARG 48 2HG ARG 48 12.303 2.060 -6.810 398 HG3 ARG 48 3HG ARG 48 11.949 3.052 -5.392 399 HD2 ARG 48 2HD ARG 48 13.645 3.967 -7.746 400 HD3 ARG 48 3HD ARG 48 11.930 4.338 -7.537 401 HE ARG 48 HE ARG 48 12.983 5.222 -5.225 402 HH11 ARG 48 1HH1 ARG 48 13.971 5.867 -8.552 403 HH12 ARG 48 2HH1 ARG 48 14.574 7.447 -8.177 404 HH21 ARG 48 1HH2 ARG 48 13.674 7.304 -4.783 405 HH22 ARG 48 2HH2 ARG 48 14.403 8.264 -6.030 406 H ASP 49 H ASP 49 14.372 -0.362 -6.491 407 HA ASP 49 HA ASP 49 17.081 -1.208 -5.928 408 HB2 ASP 49 2HB ASP 49 15.684 -2.688 -4.390 409 HB3 ASP 49 3HB ASP 49 14.781 -3.238 -5.789 410 H ASP 50 H ASP 50 17.439 -3.147 -7.771 411 HA ASP 50 HA ASP 50 17.080 -2.028 -10.287 412 HB2 ASP 50 2HB ASP 50 17.595 -4.959 -9.628 413 HB3 ASP 50 3HB ASP 50 17.876 -4.194 -11.188 414 H GLY 51 H GLY 51 14.931 -1.454 -10.576 415 HA2 GLY 51 2HA GLY 51 12.848 -1.649 -11.531 416 HA3 GLY 51 3HA GLY 51 13.257 -3.301 -11.961 417 H THR 52 H THR 52 13.447 -2.378 -8.629 418 HA THR 52 HA THR 52 10.903 -3.749 -8.000 419 HB THR 52 HB THR 52 13.562 -4.326 -6.586 420 HG1 THR 52 HG1 THR 52 13.725 -5.289 -8.556 421 HG21 THR 52 3HG2 THR 52 10.887 -5.749 -6.379 422 HG22 THR 52 1HG2 THR 52 11.572 -4.683 -5.150 423 HG23 THR 52 2HG2 THR 52 12.372 -6.206 -5.544 424 H VAL 53 H VAL 53 9.747 -2.407 -6.763 425 HA VAL 53 HA VAL 53 11.049 -0.644 -4.767 426 HB VAL 53 HB VAL 53 8.182 -0.395 -5.853 427 HG11 VAL 53 1HG1 VAL 53 8.260 1.864 -4.844 428 HG12 VAL 53 2HG1 VAL 53 9.883 1.548 -4.230 429 HG13 VAL 53 3HG1 VAL 53 8.512 0.608 -3.631 430 HG21 VAL 53 3HG2 VAL 53 8.970 1.488 -7.250 431 HG22 VAL 53 1HG2 VAL 53 9.738 -0.033 -7.715 432 HG23 VAL 53 2HG2 VAL 53 10.636 1.155 -6.770 433 H GLU 54 H GLU 54 11.074 -1.808 -2.862 434 HA GLU 54 HA GLU 54 8.902 -3.665 -2.234 435 HB2 GLU 54 2HB GLU 54 11.251 -4.372 -1.780 436 HB3 GLU 54 3HB GLU 54 11.439 -3.044 -0.637 437 HG2 GLU 54 2HG GLU 54 9.646 -4.002 0.781 438 HG3 GLU 54 3HG GLU 54 9.434 -5.335 -0.351 439 H LEU 55 H LEU 55 7.207 -2.855 -1.333 440 HA LEU 55 HA LEU 55 7.197 -0.371 0.223 441 HB2 LEU 55 2HB LEU 55 5.540 -0.544 -1.541 442 HB3 LEU 55 3HB LEU 55 5.030 -2.131 -0.985 443 HG LEU 55 HG LEU 55 4.057 -1.136 1.052 444 HD11 LEU 55 1HD1 LEU 55 5.538 0.763 1.370 445 HD12 LEU 55 2HD1 LEU 55 3.853 1.269 1.366 446 HD13 LEU 55 3HD1 LEU 55 4.860 1.559 -0.054 447 HD21 LEU 55 3HD2 LEU 55 2.614 -1.429 -0.885 448 HD22 LEU 55 1HD2 LEU 55 3.060 0.164 -1.500 449 HD23 LEU 55 2HD2 LEU 55 2.146 0.017 0.004 450 H ARG 56 H ARG 56 7.075 -0.405 2.376 451 HA ARG 56 HA ARG 56 6.421 -2.916 3.811 452 HB2 ARG 56 2HB ARG 56 8.113 -0.538 4.701 453 HB3 ARG 56 3HB ARG 56 7.781 -1.967 5.672 454 HG2 ARG 56 2HG ARG 56 9.315 -1.955 3.051 455 HG3 ARG 56 3HG ARG 56 10.041 -2.001 4.656 456 HD2 ARG 56 2HD ARG 56 8.199 -4.134 3.519 457 HD3 ARG 56 3HD ARG 56 9.962 -4.235 3.600 458 HE ARG 56 HE ARG 56 8.384 -3.853 6.062 459 HH11 ARG 56 1HH1 ARG 56 10.583 -5.885 4.200 460 HH12 ARG 56 2HH1 ARG 56 10.927 -6.930 5.542 461 HH21 ARG 56 1HH2 ARG 56 8.870 -5.173 7.808 462 HH22 ARG 56 2HH2 ARG 56 9.947 -6.520 7.607 463 H ILE 57 H ILE 57 4.257 -2.725 4.170 464 HA ILE 57 HA ILE 57 3.176 -0.258 5.394 465 HB ILE 57 HB ILE 57 1.739 -2.702 4.243 466 HG12 ILE 57 2HG1 ILE 57 2.719 -1.164 2.518 467 HG13 ILE 57 3HG1 ILE 57 0.965 -1.259 2.445 468 HG21 ILE 57 1HG2 ILE 57 0.444 -1.804 6.121 469 HG22 ILE 57 2HG2 ILE 57 -0.371 -1.447 4.601 470 HG23 ILE 57 3HG2 ILE 57 0.526 -0.179 5.435 471 HD11 ILE 57 3HD1 ILE 57 1.776 1.006 2.109 472 HD12 ILE 57 1HD1 ILE 57 2.542 0.988 3.696 473 HD13 ILE 57 2HD1 ILE 57 0.782 0.902 3.560 474 H LYS 58 H LYS 58 2.875 -0.270 7.537 475 HA LYS 58 HA LYS 58 2.537 -2.806 9.022 476 HB2 LYS 58 2HB LYS 58 4.777 -1.815 9.447 477 HB3 LYS 58 3HB LYS 58 4.040 -0.279 9.896 478 HG2 LYS 58 2HG LYS 58 2.965 -1.365 11.843 479 HG3 LYS 58 3HG LYS 58 3.691 -2.907 11.389 480 HD2 LYS 58 2HD LYS 58 5.244 -0.405 12.169 481 HD3 LYS 58 3HD LYS 58 4.927 -1.777 13.232 482 HE2 LYS 58 2HE LYS 58 6.167 -3.238 11.614 483 HE3 LYS 58 3HE LYS 58 6.589 -1.794 10.691 484 HZ1 LYS 58 3HZ LYS 58 7.321 -2.332 13.519 485 HZ2 LYS 58 1HZ LYS 58 7.738 -0.942 12.651 486 HZ3 LYS 58 2HZ LYS 58 8.362 -2.444 12.194 487 H VAL 59 H VAL 59 0.355 -2.798 9.393 488 HA VAL 59 HA VAL 59 -1.016 -0.255 10.065 489 HB VAL 59 HB VAL 59 -2.261 -2.935 9.232 490 HG11 VAL 59 1HG1 VAL 59 -4.394 -1.679 9.072 491 HG12 VAL 59 2HG1 VAL 59 -3.603 -0.234 9.707 492 HG13 VAL 59 3HG1 VAL 59 -3.765 -1.670 10.720 493 HG21 VAL 59 3HG2 VAL 59 -1.093 -1.874 7.351 494 HG22 VAL 59 1HG2 VAL 59 -1.959 -0.361 7.633 495 HG23 VAL 59 2HG2 VAL 59 -2.837 -1.801 7.111 496 H LYS 60 H LYS 60 -1.312 0.101 12.156 497 HA LYS 60 HA LYS 60 -1.648 -2.090 14.093 498 HB2 LYS 60 2HB LYS 60 -0.048 -0.186 14.566 499 HB3 LYS 60 3HB LYS 60 -1.418 0.919 14.568 500 HG2 LYS 60 2HG LYS 60 -2.395 -0.405 16.482 501 HG3 LYS 60 3HG LYS 60 -0.914 -1.364 16.513 502 HD2 LYS 60 2HD LYS 60 -0.821 0.379 18.241 503 HD3 LYS 60 3HD LYS 60 0.399 0.709 17.007 504 HE2 LYS 60 2HE LYS 60 -1.081 2.388 15.983 505 HE3 LYS 60 3HE LYS 60 -2.333 2.032 17.171 506 HZ1 LYS 60 3HZ LYS 60 -1.055 4.035 17.710 507 HZ2 LYS 60 1HZ LYS 60 0.357 3.109 17.828 508 HZ3 LYS 60 2HZ LYS 60 -0.916 2.852 18.902 509 H ALA 61 H ALA 61 -3.707 -2.753 14.249 510 HA ALA 61 HA ALA 61 -5.946 -0.873 14.526 511 HB1 ALA 61 3HB ALA 61 -7.348 -2.097 12.904 512 HB2 ALA 61 1HB ALA 61 -5.982 -3.145 12.505 513 HB3 ALA 61 2HB ALA 61 -5.918 -1.429 12.113 514 H ASP 62 H ASP 62 -7.914 -2.043 15.364 515 HA ASP 62 HA ASP 62 -7.199 -3.292 17.744 516 HB2 ASP 62 2HB ASP 62 -9.276 -2.000 17.489 517 HB3 ASP 62 3HB ASP 62 -9.926 -3.223 16.407 518 H THR 63 H THR 63 -9.034 -4.866 15.064 519 HA THR 63 HA THR 63 -7.860 -7.471 15.890 520 HB THR 63 HB THR 63 -9.868 -8.512 14.743 521 HG1 THR 63 HG1 THR 63 -11.503 -7.247 14.062 522 HG21 THR 63 3HG2 THR 63 -11.449 -8.097 16.585 523 HG22 THR 63 1HG2 THR 63 -10.529 -6.677 17.085 524 HG23 THR 63 2HG2 THR 63 -9.812 -8.287 17.212 525 H GLU 64 H GLU 64 -7.568 -9.049 14.098 526 HA GLU 64 HA GLU 64 -5.943 -7.986 12.054 527 HB2 GLU 64 2HB GLU 64 -5.787 -10.275 11.181 528 HB3 GLU 64 3HB GLU 64 -5.578 -10.239 12.927 529 HG2 GLU 64 2HG GLU 64 -7.769 -11.146 13.302 530 HG3 GLU 64 3HG GLU 64 -8.206 -10.940 11.607 531 H GLU 65 H GLU 65 -9.345 -8.811 12.132 532 HA GLU 65 HA GLU 65 -10.091 -8.846 9.476 533 HB2 GLU 65 2HB GLU 65 -11.645 -9.156 11.396 534 HB3 GLU 65 3HB GLU 65 -11.515 -7.445 11.778 535 HG2 GLU 65 2HG GLU 65 -12.379 -7.134 9.285 536 HG3 GLU 65 3HG GLU 65 -12.950 -8.786 9.492 537 H LYS 66 H LYS 66 -9.745 -6.028 11.600 538 HA LYS 66 HA LYS 66 -10.525 -4.073 9.678 539 HB2 LYS 66 2HB LYS 66 -8.882 -3.438 12.168 540 HB3 LYS 66 3HB LYS 66 -10.120 -2.461 11.386 541 HG2 LYS 66 2HG LYS 66 -11.864 -4.078 12.162 542 HG3 LYS 66 3HG LYS 66 -10.594 -5.004 12.966 543 HD2 LYS 66 2HD LYS 66 -11.589 -3.681 14.670 544 HD3 LYS 66 3HD LYS 66 -10.053 -2.894 14.304 545 HE2 LYS 66 2HE LYS 66 -11.796 -1.227 14.549 546 HE3 LYS 66 3HE LYS 66 -11.287 -1.271 12.861 547 HZ1 LYS 66 3HZ LYS 66 -13.742 -1.187 13.199 548 HZ2 LYS 66 1HZ LYS 66 -13.664 -2.716 13.912 549 HZ3 LYS 66 2HZ LYS 66 -13.233 -2.520 12.292 550 H ALA 67 H ALA 67 -7.449 -5.164 11.032 551 HA ALA 67 HA ALA 67 -5.705 -3.332 9.855 552 HB1 ALA 67 3HB ALA 67 -5.121 -4.815 11.726 553 HB2 ALA 67 1HB ALA 67 -3.946 -4.931 10.417 554 HB3 ALA 67 2HB ALA 67 -5.150 -6.205 10.638 555 H LYS 68 H LYS 68 -6.533 -6.639 8.744 556 HA LYS 68 HA LYS 68 -4.990 -6.502 6.357 557 HB2 LYS 68 2HB LYS 68 -7.245 -8.403 7.113 558 HB3 LYS 68 3HB LYS 68 -6.181 -8.618 5.732 559 HG2 LYS 68 2HG LYS 68 -5.261 -8.577 8.626 560 HG3 LYS 68 3HG LYS 68 -5.573 -10.037 7.697 561 HD2 LYS 68 2HD LYS 68 -3.433 -7.960 7.092 562 HD3 LYS 68 3HD LYS 68 -3.162 -9.546 7.810 563 HE2 LYS 68 2HE LYS 68 -4.181 -9.006 4.997 564 HE3 LYS 68 3HE LYS 68 -2.578 -9.587 5.439 565 HZ1 LYS 68 3HZ LYS 68 -5.126 -11.049 5.891 566 HZ2 LYS 68 1HZ LYS 68 -3.586 -11.594 6.315 567 HZ3 LYS 68 2HZ LYS 68 -3.985 -11.389 4.693 568 H SER 69 H SER 69 -8.280 -5.521 7.121 569 HA SER 69 HA SER 69 -9.275 -5.303 4.456 570 HB2 SER 69 2HB SER 69 -10.103 -3.860 7.006 571 HB3 SER 69 3HB SER 69 -10.992 -3.786 5.481 572 HG SER 69 HG SER 69 -10.374 -6.284 6.644 573 H ILE 70 H ILE 70 -7.676 -3.006 6.666 574 HA ILE 70 HA ILE 70 -7.694 -0.726 5.009 575 HB ILE 70 HB ILE 70 -5.746 -1.558 7.210 576 HG12 ILE 70 2HG1 ILE 70 -8.083 0.416 7.312 577 HG13 ILE 70 3HG1 ILE 70 -8.175 -1.255 7.856 578 HG21 ILE 70 1HG2 ILE 70 -4.643 0.105 5.772 579 HG22 ILE 70 2HG2 ILE 70 -5.043 0.815 7.335 580 HG23 ILE 70 3HG2 ILE 70 -6.033 1.185 5.921 581 HD11 ILE 70 3HD1 ILE 70 -7.888 0.246 9.718 582 HD12 ILE 70 1HD1 ILE 70 -6.397 0.879 9.017 583 HD13 ILE 70 2HD1 ILE 70 -6.481 -0.803 9.546 584 H ILE 71 H ILE 71 -5.354 -3.386 5.355 585 HA ILE 71 HA ILE 71 -3.394 -2.585 3.520 586 HB ILE 71 HB ILE 71 -4.334 -5.393 4.261 587 HG12 ILE 71 2HG1 ILE 71 -1.944 -3.785 5.290 588 HG13 ILE 71 3HG1 ILE 71 -3.474 -3.950 6.141 589 HG21 ILE 71 1HG2 ILE 71 -3.128 -5.494 2.109 590 HG22 ILE 71 2HG2 ILE 71 -2.175 -6.238 3.396 591 HG23 ILE 71 3HG2 ILE 71 -1.768 -4.620 2.823 592 HD11 ILE 71 3HD1 ILE 71 -3.115 -6.348 6.329 593 HD12 ILE 71 1HD1 ILE 71 -1.811 -5.422 7.064 594 HD13 ILE 71 2HD1 ILE 71 -1.569 -6.186 5.493 595 H LYS 72 H LYS 72 -6.417 -4.449 3.020 596 HA LYS 72 HA LYS 72 -6.084 -4.884 0.241 597 HB2 LYS 72 2HB LYS 72 -7.636 -6.231 1.594 598 HB3 LYS 72 3HB LYS 72 -8.636 -4.817 1.907 599 HG2 LYS 72 2HG LYS 72 -9.633 -6.299 0.198 600 HG3 LYS 72 3HG LYS 72 -9.286 -4.697 -0.446 601 HD2 LYS 72 2HD LYS 72 -8.706 -6.416 -2.085 602 HD3 LYS 72 3HD LYS 72 -7.250 -5.582 -1.543 603 HE2 LYS 72 2HE LYS 72 -6.862 -8.002 -1.720 604 HE3 LYS 72 3HE LYS 72 -6.728 -7.483 -0.038 605 HZ1 LYS 72 3HZ LYS 72 -8.970 -8.287 0.352 606 HZ2 LYS 72 1HZ LYS 72 -8.012 -9.536 -0.265 607 HZ3 LYS 72 2HZ LYS 72 -9.123 -8.747 -1.263 608 H LEU 73 H LEU 73 -7.587 -2.230 2.070 609 HA LEU 73 HA LEU 73 -8.699 -0.805 -0.096 610 HB2 LEU 73 2HB LEU 73 -7.971 -0.166 2.744 611 HB3 LEU 73 3HB LEU 73 -8.154 1.206 1.671 612 HG LEU 73 HG LEU 73 -10.488 0.633 1.222 613 HD11 LEU 73 1HD1 LEU 73 -11.676 -1.200 2.300 614 HD12 LEU 73 2HD1 LEU 73 -10.170 -1.781 3.012 615 HD13 LEU 73 3HD1 LEU 73 -10.385 -1.806 1.263 616 HD21 LEU 73 3HD2 LEU 73 -10.037 2.030 3.174 617 HD22 LEU 73 1HD2 LEU 73 -9.888 0.598 4.197 618 HD23 LEU 73 2HD2 LEU 73 -11.443 1.009 3.468 619 H ILE 74 H ILE 74 -5.469 -0.696 1.409 620 HA ILE 74 HA ILE 74 -4.312 1.301 -0.220 621 HB ILE 74 HB ILE 74 -2.977 -1.050 1.221 622 HG12 ILE 74 2HG1 ILE 74 -3.263 1.877 2.069 623 HG13 ILE 74 3HG1 ILE 74 -4.215 0.547 2.710 624 HG21 ILE 74 1HG2 ILE 74 -0.854 0.207 1.049 625 HG22 ILE 74 2HG2 ILE 74 -1.655 1.435 0.070 626 HG23 ILE 74 3HG2 ILE 74 -1.481 -0.207 -0.551 627 HD11 ILE 74 3HD1 ILE 74 -2.486 1.176 4.258 628 HD12 ILE 74 1HD1 ILE 74 -1.245 0.924 3.030 629 HD13 ILE 74 2HD1 ILE 74 -2.176 -0.446 3.640 630 H GLU 75 H GLU 75 -4.552 -2.244 -0.588 631 HA GLU 75 HA GLU 75 -2.958 -2.612 -2.871 632 HB2 GLU 75 2HB GLU 75 -5.346 -4.200 -1.848 633 HB3 GLU 75 3HB GLU 75 -4.347 -4.727 -3.194 634 HG2 GLU 75 2HG GLU 75 -2.388 -4.895 -1.733 635 HG3 GLU 75 3HG GLU 75 -3.334 -4.261 -0.382 636 H GLU 76 H GLU 76 -6.478 -2.066 -2.599 637 HA GLU 76 HA GLU 76 -7.175 -2.229 -5.293 638 HB2 GLU 76 2HB GLU 76 -8.415 -0.475 -3.126 639 HB3 GLU 76 3HB GLU 76 -9.153 -0.802 -4.687 640 HG2 GLU 76 2HG GLU 76 -8.612 -2.802 -2.488 641 HG3 GLU 76 3HG GLU 76 -10.180 -2.177 -2.981 642 H ARG 77 H ARG 77 -6.244 0.572 -3.352 643 HA ARG 77 HA ARG 77 -6.600 2.557 -5.324 644 HB2 ARG 77 2HB ARG 77 -4.981 2.488 -2.750 645 HB3 ARG 77 3HB ARG 77 -5.243 3.944 -3.688 646 HG2 ARG 77 2HG ARG 77 -7.557 2.350 -2.583 647 HG3 ARG 77 3HG ARG 77 -6.706 3.544 -1.614 648 HD2 ARG 77 2HD ARG 77 -8.281 4.969 -2.423 649 HD3 ARG 77 3HD ARG 77 -7.243 5.039 -3.842 650 HE ARG 77 HE ARG 77 -8.689 3.412 -4.900 651 HH11 ARG 77 1HH1 ARG 77 -10.005 4.940 -2.009 652 HH12 ARG 77 2HH1 ARG 77 -11.653 4.604 -2.443 653 HH21 ARG 77 1HH2 ARG 77 -10.878 2.981 -5.445 654 HH22 ARG 77 2HH2 ARG 77 -12.137 3.502 -4.370 655 H ILE 78 H ILE 78 -3.536 1.154 -3.981 656 HA ILE 78 HA ILE 78 -1.852 2.704 -5.645 657 HB ILE 78 HB ILE 78 0.060 1.386 -4.869 658 HG12 ILE 78 2HG1 ILE 78 -1.922 -0.514 -3.522 659 HG13 ILE 78 3HG1 ILE 78 -0.969 -0.894 -4.945 660 HG21 ILE 78 1HG2 ILE 78 -1.883 1.927 -2.593 661 HG22 ILE 78 2HG2 ILE 78 -0.819 3.111 -3.354 662 HG23 ILE 78 3HG2 ILE 78 -0.131 1.772 -2.436 663 HD11 ILE 78 3HD1 ILE 78 -0.006 -1.902 -2.986 664 HD12 ILE 78 1HD1 ILE 78 0.105 -0.335 -2.183 665 HD13 ILE 78 2HD1 ILE 78 1.082 -0.668 -3.616 666 H GLU 79 H GLU 79 -3.035 -0.655 -5.941 667 HA GLU 79 HA GLU 79 -1.348 -1.315 -8.151 668 HB2 GLU 79 2HB GLU 79 -2.232 -3.011 -6.595 669 HB3 GLU 79 3HB GLU 79 -3.868 -2.696 -7.137 670 HG2 GLU 79 2HG GLU 79 -1.753 -3.657 -9.085 671 HG3 GLU 79 3HG GLU 79 -2.604 -4.789 -8.039 672 H GLU 80 H GLU 80 -4.730 -0.154 -7.850 673 HA GLU 80 HA GLU 80 -5.478 -0.251 -10.532 674 HB2 GLU 80 2HB GLU 80 -7.061 0.349 -8.760 675 HB3 GLU 80 3HB GLU 80 -6.184 1.837 -8.424 676 HG2 GLU 80 2HG GLU 80 -8.239 2.293 -9.677 677 HG3 GLU 80 3HG GLU 80 -6.819 2.728 -10.623 678 H GLU 81 H GLU 81 -3.975 2.438 -8.746 679 HA GLU 81 HA GLU 81 -3.740 4.229 -10.868 680 HB2 GLU 81 2HB GLU 81 -2.134 4.027 -8.295 681 HB3 GLU 81 3HB GLU 81 -2.014 5.380 -9.415 682 HG2 GLU 81 2HG GLU 81 -4.463 4.540 -7.848 683 HG3 GLU 81 3HG GLU 81 -3.475 5.975 -7.591 684 H LEU 82 H LEU 82 -1.381 1.904 -9.593 685 HA LEU 82 HA LEU 82 0.805 2.506 -11.244 686 HB2 LEU 82 2HB LEU 82 -0.095 -0.067 -9.890 687 HB3 LEU 82 3HB LEU 82 1.393 0.011 -10.814 688 HG LEU 82 HG LEU 82 0.800 1.691 -8.351 689 HD11 LEU 82 1HD1 LEU 82 2.572 -0.760 -8.663 690 HD12 LEU 82 2HD1 LEU 82 1.055 -0.665 -7.765 691 HD13 LEU 82 3HD1 LEU 82 2.455 0.247 -7.217 692 HD21 LEU 82 3HD2 LEU 82 3.184 2.327 -8.489 693 HD22 LEU 82 1HD2 LEU 82 2.276 2.854 -9.906 694 HD23 LEU 82 2HD2 LEU 82 3.332 1.443 -10.012 695 H ARG 83 H ARG 83 -1.914 0.264 -11.697 696 HA ARG 83 HA ARG 83 -0.904 -1.031 -14.022 697 HB2 ARG 83 2HB ARG 83 -2.660 -1.881 -12.326 698 HB3 ARG 83 3HB ARG 83 -3.833 -0.889 -13.185 699 HG2 ARG 83 2HG ARG 83 -3.268 -2.183 -15.285 700 HG3 ARG 83 3HG ARG 83 -2.252 -3.230 -14.290 701 HD2 ARG 83 2HD ARG 83 -4.421 -4.279 -14.631 702 HD3 ARG 83 3HD ARG 83 -4.224 -3.856 -12.934 703 HE ARG 83 HE ARG 83 -5.963 -2.443 -14.879 704 HH11 ARG 83 1HH1 ARG 83 -5.111 -3.082 -11.498 705 HH12 ARG 83 2HH1 ARG 83 -6.538 -2.306 -10.881 706 HH21 ARG 83 1HH2 ARG 83 -7.877 -1.544 -14.023 707 HH22 ARG 83 2HH2 ARG 83 -8.084 -1.444 -12.305 708 H LYS 84 H LYS 84 -2.849 1.837 -13.506 709 HA LYS 84 HA LYS 84 -4.169 2.200 -15.928 710 HB2 LYS 84 2HB LYS 84 -3.067 4.268 -13.975 711 HB3 LYS 84 3HB LYS 84 -4.093 4.698 -15.345 712 HG2 LYS 84 2HG LYS 84 -5.948 3.414 -14.459 713 HG3 LYS 84 3HG LYS 84 -4.938 2.752 -13.177 714 HD2 LYS 84 2HD LYS 84 -6.359 4.482 -12.249 715 HD3 LYS 84 3HD LYS 84 -4.688 5.039 -12.220 716 HE2 LYS 84 2HE LYS 84 -6.173 6.844 -12.901 717 HE3 LYS 84 3HE LYS 84 -5.135 6.399 -14.256 718 HZ1 LYS 84 3HZ LYS 84 -6.974 5.088 -15.150 719 HZ2 LYS 84 1HZ LYS 84 -7.414 6.708 -14.972 720 HZ3 LYS 84 2HZ LYS 84 -7.955 5.555 -13.866 721 H ARG 85 H ARG 85 -0.844 3.161 -15.094 722 HA ARG 85 HA ARG 85 -0.406 4.070 -17.891 723 HB2 ARG 85 2HB ARG 85 1.360 5.587 -17.079 724 HB3 ARG 85 3HB ARG 85 -0.211 6.012 -16.434 725 HG2 ARG 85 2HG ARG 85 1.727 4.364 -14.800 726 HG3 ARG 85 3HG ARG 85 1.888 6.119 -14.886 727 HD2 ARG 85 2HD ARG 85 -0.545 4.588 -13.901 728 HD3 ARG 85 3HD ARG 85 0.612 5.479 -12.907 729 HE ARG 85 HE ARG 85 -0.468 7.212 -14.845 730 HH11 ARG 85 1HH1 ARG 85 -1.478 5.645 -11.845 731 HH12 ARG 85 2HH1 ARG 85 -2.661 6.862 -11.473 732 HH21 ARG 85 1HH2 ARG 85 -2.047 8.743 -14.380 733 HH22 ARG 85 2HH2 ARG 85 -2.983 8.625 -12.919 734 H ASP 86 H ASP 86 0.669 1.965 -15.361 735 HA ASP 86 HA ASP 86 3.015 1.131 -16.975 736 HB2 ASP 86 2HB ASP 86 3.540 2.377 -14.749 737 HB3 ASP 86 3HB ASP 86 2.935 0.946 -13.922 738 HA PRO 87 HA PRO 87 0.126 -2.493 -16.664 739 HB2 PRO 87 2HB PRO 87 1.532 -3.351 -19.170 740 HB3 PRO 87 3HB PRO 87 -0.198 -3.080 -18.877 741 HG2 PRO 87 2HG PRO 87 1.214 -1.390 -20.399 742 HG3 PRO 87 3HG PRO 87 -0.077 -0.800 -19.323 743 HD2 PRO 87 2HD PRO 87 2.915 -0.778 -18.862 744 HD3 PRO 87 3HD PRO 87 1.720 0.519 -18.597 745 H ASN 88 H ASN 88 3.560 -2.215 -16.785 746 HA ASN 88 HA ASN 88 4.178 -5.027 -16.372 747 HB2 ASN 88 2HB ASN 88 5.989 -2.565 -16.286 748 HB3 ASN 88 3HB ASN 88 6.527 -4.246 -16.252 749 HD21 ASN 88 1HD2 ASN 88 6.521 -5.437 -18.180 750 HD22 ASN 88 2HD2 ASN 88 6.257 -4.712 -19.726 751 H ALA 89 H ALA 89 3.124 -2.489 -14.396 752 HA ALA 89 HA ALA 89 4.666 -2.945 -12.054 753 HB1 ALA 89 3HB ALA 89 3.498 -0.820 -12.470 754 HB2 ALA 89 1HB ALA 89 2.999 -1.532 -10.932 755 HB3 ALA 89 2HB ALA 89 1.939 -1.639 -12.340 756 H THR 90 H THR 90 4.674 -5.190 -11.903 757 HA THR 90 HA THR 90 2.257 -6.650 -11.169 758 HB THR 90 HB THR 90 5.135 -7.592 -11.535 759 HG1 THR 90 HG1 THR 90 3.980 -6.669 -13.419 760 HG21 THR 90 3HG2 THR 90 2.548 -9.197 -11.468 761 HG22 THR 90 1HG2 THR 90 3.775 -9.176 -10.199 762 HG23 THR 90 2HG2 THR 90 4.160 -9.841 -11.786 763 H ILE 91 H ILE 91 1.719 -6.524 -9.091 764 HA ILE 91 HA ILE 91 3.745 -5.995 -7.029 765 HB ILE 91 HB ILE 91 2.025 -5.250 -5.557 766 HG12 ILE 91 2HG1 ILE 91 0.276 -6.966 -5.899 767 HG13 ILE 91 3HG1 ILE 91 -0.419 -5.358 -5.987 768 HG21 ILE 91 1HG2 ILE 91 1.338 -4.230 -8.342 769 HG22 ILE 91 2HG2 ILE 91 2.608 -3.614 -7.282 770 HG23 ILE 91 3HG2 ILE 91 0.915 -3.430 -6.824 771 HD11 ILE 91 3HD1 ILE 91 -0.470 -5.539 -8.444 772 HD12 ILE 91 1HD1 ILE 91 -1.408 -6.801 -7.645 773 HD13 ILE 91 2HD1 ILE 91 0.175 -7.177 -8.322 774 H THR 92 H THR 92 4.262 -7.467 -5.502 775 HA THR 92 HA THR 92 2.694 -9.979 -5.304 776 HB THR 92 HB THR 92 5.695 -9.637 -4.749 777 HG1 THR 92 HG1 THR 92 6.044 -10.249 -6.760 778 HG21 THR 92 3HG2 THR 92 5.727 -12.114 -4.694 779 HG22 THR 92 1HG2 THR 92 3.979 -12.160 -4.936 780 HG23 THR 92 2HG2 THR 92 4.651 -11.482 -3.451 781 H ARG 93 H ARG 93 1.463 -9.647 -3.526 782 HA ARG 93 HA ARG 93 2.561 -8.142 -1.233 783 HB2 ARG 93 2HB ARG 93 0.447 -7.310 -2.265 784 HB3 ARG 93 3HB ARG 93 -0.345 -8.837 -1.921 785 HG2 ARG 93 2HG ARG 93 0.833 -7.324 0.407 786 HG3 ARG 93 3HG ARG 93 -0.630 -6.685 -0.338 787 HD2 ARG 93 2HD ARG 93 -0.326 -9.497 0.762 788 HD3 ARG 93 3HD ARG 93 -1.107 -8.147 1.597 789 HE ARG 93 HE ARG 93 -2.333 -8.326 -0.850 790 HH11 ARG 93 1HH1 ARG 93 -2.032 -10.502 1.898 791 HH12 ARG 93 2HH1 ARG 93 -3.551 -11.284 1.576 792 HH21 ARG 93 1HH2 ARG 93 -4.289 -9.273 -1.233 793 HH22 ARG 93 2HH2 ARG 93 -4.842 -10.577 -0.218 794 H THR 94 H THR 94 3.673 -9.583 -0.049 795 HA THR 94 HA THR 94 2.330 -12.045 0.916 796 HB THR 94 HB THR 94 5.290 -11.291 1.114 797 HG1 THR 94 HG1 THR 94 4.941 -11.576 -1.028 798 HG21 THR 94 3HG2 THR 94 5.641 -13.684 1.580 799 HG22 THR 94 1HG2 THR 94 3.901 -13.977 1.475 800 HG23 THR 94 2HG2 THR 94 4.555 -12.977 2.776 801 H VAL 95 H VAL 95 1.848 -12.147 3.120 802 HA VAL 95 HA VAL 95 2.034 -9.738 4.677 803 HB VAL 95 HB VAL 95 0.077 -11.282 4.866 804 HG11 VAL 95 1HG1 VAL 95 1.189 -13.459 4.762 805 HG12 VAL 95 2HG1 VAL 95 0.170 -13.340 6.196 806 HG13 VAL 95 3HG1 VAL 95 1.922 -13.184 6.343 807 HG21 VAL 95 3HG2 VAL 95 0.516 -9.631 6.618 808 HG22 VAL 95 1HG2 VAL 95 1.540 -10.781 7.482 809 HG23 VAL 95 2HG2 VAL 95 -0.191 -11.087 7.318 810 H ARG 96 H ARG 96 3.605 -9.169 6.067 811 HA ARG 96 HA ARG 96 6.078 -10.700 5.993 812 HB2 ARG 96 2HB ARG 96 5.932 -8.206 5.536 813 HB3 ARG 96 3HB ARG 96 5.537 -7.962 7.231 814 HG2 ARG 96 2HG ARG 96 7.872 -7.461 6.897 815 HG3 ARG 96 3HG ARG 96 7.759 -8.948 7.841 816 HD2 ARG 96 2HD ARG 96 8.128 -10.252 5.728 817 HD3 ARG 96 3HD ARG 96 8.357 -8.725 4.869 818 HE ARG 96 HE ARG 96 10.115 -8.850 7.082 819 HH11 ARG 96 1HH1 ARG 96 9.677 -10.349 3.911 820 HH12 ARG 96 2HH1 ARG 96 11.366 -10.683 3.706 821 HH21 ARG 96 1HH2 ARG 96 12.327 -9.256 6.772 822 HH22 ARG 96 2HH2 ARG 96 12.878 -10.060 5.334 823 H THR 97 H THR 97 3.539 -9.942 8.240 824 HA THR 97 HA THR 97 4.971 -11.169 10.514 825 HB THR 97 HB THR 97 2.459 -9.429 10.412 826 HG1 THR 97 HG1 THR 97 5.122 -8.966 11.323 827 HG21 THR 97 3HG2 THR 97 2.507 -9.421 12.874 828 HG22 THR 97 1HG2 THR 97 3.832 -10.589 12.874 829 HG23 THR 97 2HG2 THR 97 2.240 -11.052 12.263 830 H GLU 98 H GLU 98 4.245 -13.084 11.380 831 HA GLU 98 HA GLU 98 1.952 -14.494 10.278 832 HB2 GLU 98 2HB GLU 98 3.976 -15.778 10.997 833 HB3 GLU 98 3HB GLU 98 3.755 -15.208 12.650 834 HG2 GLU 98 2HG GLU 98 2.941 -17.518 12.380 835 HG3 GLU 98 3HG GLU 98 1.632 -16.421 12.815 836 H VAL 99 H VAL 99 -0.012 -13.786 10.900 837 HA VAL 99 HA VAL 99 -0.229 -11.683 12.820 838 HB VAL 99 HB VAL 99 -2.478 -13.107 11.321 839 HG11 VAL 99 1HG1 VAL 99 -3.762 -11.013 11.679 840 HG12 VAL 99 2HG1 VAL 99 -2.439 -10.364 12.650 841 HG13 VAL 99 3HG1 VAL 99 -3.326 -11.784 13.206 842 HG21 VAL 99 3HG2 VAL 99 -2.283 -11.315 9.624 843 HG22 VAL 99 1HG2 VAL 99 -0.787 -12.243 9.750 844 HG23 VAL 99 2HG2 VAL 99 -0.894 -10.644 10.484 845 H GLY 100 H GLY 100 -0.879 -11.735 14.899 846 HA2 GLY 100 2HA GLY 100 -2.177 -12.378 16.733 847 HA3 GLY 100 3HA GLY 100 -2.578 -13.887 15.933 848 H SER 101 H SER 101 -0.421 -12.255 18.044 849 HA SER 101 HA SER 101 1.352 -14.527 18.436 850 HB2 SER 101 2HB SER 101 2.288 -13.052 20.294 851 HB3 SER 101 3HB SER 101 2.374 -12.355 18.679 852 HG SER 101 HG SER 101 0.650 -11.022 19.167 853 H SER 102 H SER 102 0.193 -16.236 19.204 854 HA SER 102 HA SER 102 -2.021 -16.121 20.954 855 HB2 SER 102 2HB SER 102 -0.253 -18.538 20.369 856 HB3 SER 102 3HB SER 102 -1.927 -18.564 20.929 857 HG SER 102 HG SER 102 -1.588 -18.897 18.626 858 H TRP 103 H TRP 103 -1.379 -14.913 22.774 859 HA TRP 103 HA TRP 103 0.166 -16.346 24.828 860 HB2 TRP 103 2HB TRP 103 1.750 -14.815 23.569 861 HB3 TRP 103 3HB TRP 103 0.777 -13.442 24.080 862 HD1 TRP 103 HD1 TRP 103 1.797 -16.357 26.437 863 HE1 TRP 103 HE1 TRP 103 3.301 -15.413 28.289 864 HE3 TRP 103 HE3 TRP 103 2.293 -11.550 24.743 865 HZ2 TRP 103 HZ2 TRP 103 4.550 -12.986 28.950 866 HZ3 TRP 103 HZ3 TRP 103 3.670 -9.978 26.047 867 HH2 TRP 103 HH2 TRP 103 4.777 -10.683 28.111 868 H SER 104 H SER 104 -1.558 -16.629 26.111 869 HA SER 104 HA SER 104 -3.362 -14.427 26.822 870 HB2 SER 104 2HB SER 104 -4.636 -16.305 27.983 871 HB3 SER 104 3HB SER 104 -4.461 -16.498 26.239 872 HG SER 104 HG SER 104 -2.862 -17.750 28.231 873 H LEU 105 H LEU 105 -3.301 -13.407 28.796 874 HA LEU 105 HA LEU 105 -1.486 -14.453 30.910 875 HB2 LEU 105 2HB LEU 105 -1.825 -11.500 30.192 876 HB3 LEU 105 3HB LEU 105 -0.825 -12.155 31.470 877 HG LEU 105 HG LEU 105 0.455 -13.376 29.472 878 HD11 LEU 105 1HD1 LEU 105 0.509 -12.057 27.398 879 HD12 LEU 105 2HD1 LEU 105 -0.797 -11.032 27.999 880 HD13 LEU 105 3HD1 LEU 105 -1.089 -12.745 27.687 881 HD21 LEU 105 3HD2 LEU 105 2.010 -11.474 29.326 882 HD22 LEU 105 1HD2 LEU 105 1.479 -11.755 30.983 883 HD23 LEU 105 2HD2 LEU 105 0.797 -10.418 30.055 884 H GLU 106 H GLU 106 -2.478 -14.677 32.837 885 HA GLU 106 HA GLU 106 -4.219 -12.647 33.891 886 HB2 GLU 106 2HB GLU 106 -6.133 -14.168 34.444 887 HB3 GLU 106 3HB GLU 106 -5.946 -13.898 32.718 888 HG2 GLU 106 2HG GLU 106 -4.989 -16.112 32.412 889 HG3 GLU 106 3HG GLU 106 -4.965 -16.388 34.153 890 H HIS 107 H HIS 107 -3.648 -12.375 35.948 891 HA HIS 107 HA HIS 107 -3.393 -14.472 37.848 892 HB2 HIS 107 2HB HIS 107 -1.163 -14.729 36.681 893 HB3 HIS 107 3HB HIS 107 -0.755 -13.079 37.143 894 HD1 HIS 107 HD1 HIS 107 1.003 -13.352 38.879 895 HD2 HIS 107 HD2 HIS 107 -2.144 -15.991 39.486 896 HE1 HIS 107 HE1 HIS 107 1.520 -14.528 41.032 897 HE2 HIS 107 HE2 HIS 107 -0.458 -16.012 41.431 898 H HIS 108 H HIS 108 -4.849 -13.241 38.990 899 HA HIS 108 HA HIS 108 -3.768 -11.186 40.695 900 HB2 HIS 108 2HB HIS 108 -4.523 -9.877 38.648 901 HB3 HIS 108 3HB HIS 108 -6.164 -10.437 38.947 902 HD1 HIS 108 HD1 HIS 108 -7.340 -9.502 41.133 903 HD2 HIS 108 HD2 HIS 108 -3.718 -7.688 40.187 904 HE1 HIS 108 HE1 HIS 108 -7.261 -7.397 42.499 905 HE2 HIS 108 HE2 HIS 108 -5.003 -6.406 42.030 906 H HIS 109 H HIS 109 -4.291 -13.305 41.849 907 HA HIS 109 HA HIS 109 -7.113 -13.531 42.655 908 HB2 HIS 109 2HB HIS 109 -5.877 -15.623 42.140 909 HB3 HIS 109 3HB HIS 109 -4.737 -15.284 43.442 910 HD1 HIS 109 HD1 HIS 109 -8.408 -16.137 42.889 911 HD2 HIS 109 HD2 HIS 109 -5.596 -16.100 45.958 912 HE1 HIS 109 HE1 HIS 109 -9.504 -17.284 44.839 913 HE2 HIS 109 HE2 HIS 109 -7.832 -17.140 46.702 914 H HIS 110 H HIS 110 -7.617 -11.927 44.040 915 HA HIS 110 HA HIS 110 -6.563 -12.059 46.716 916 HB2 HIS 110 2HB HIS 110 -4.985 -10.436 45.566 917 HB3 HIS 110 3HB HIS 110 -6.360 -9.379 45.269 918 HD1 HIS 110 HD1 HIS 110 -4.062 -10.566 47.983 919 HD2 HIS 110 HD2 HIS 110 -7.229 -7.908 47.527 920 HE1 HIS 110 HE1 HIS 110 -4.110 -9.193 50.089 921 HE2 HIS 110 HE2 HIS 110 -6.169 -7.782 49.879 922 H HIS 111 H HIS 111 -8.752 -12.862 46.815 923 HA HIS 111 HA HIS 111 -10.686 -10.672 47.310 924 HB2 HIS 111 2HB HIS 111 -11.472 -11.984 45.360 925 HB3 HIS 111 3HB HIS 111 -11.350 -13.478 46.284 926 HD1 HIS 111 HD1 HIS 111 -13.439 -10.335 46.027 927 HD2 HIS 111 HD2 HIS 111 -13.533 -14.009 47.975 928 HE1 HIS 111 HE1 HIS 111 -15.723 -10.509 47.054 929 HE2 HIS 111 HE2 HIS 111 -15.642 -12.591 48.434 930 H HIS 112 H HIS 112 -10.357 -10.469 49.457 931 HA HIS 112 HA HIS 112 -11.421 -12.486 51.217 932 HB2 HIS 112 2HB HIS 112 -9.013 -13.195 50.978 933 HB3 HIS 112 3HB HIS 112 -8.506 -11.628 51.588 934 HD1 HIS 112 HD1 HIS 112 -10.320 -14.748 52.704 935 HD2 HIS 112 HD2 HIS 112 -8.368 -11.478 54.375 936 HE1 HIS 112 HE1 HIS 112 -10.194 -15.218 55.155 937 HE2 HIS 112 HE2 HIS 112 -8.823 -13.345 56.094 Start of MODEL 7 1 H1 MET 1 1H MET 1 -5.987 -3.311 21.112 2 H2 MET 1 2H MET 1 -4.324 -3.544 21.319 3 H3 MET 1 3H MET 1 -5.354 -4.877 21.180 4 HA MET 1 HA MET 1 -5.880 -4.353 18.964 5 HB2 MET 1 2HB MET 1 -4.723 -2.486 17.768 6 HB3 MET 1 3HB MET 1 -5.798 -1.923 19.037 7 HG2 MET 1 2HG MET 1 -3.903 -1.476 20.503 8 HG3 MET 1 3HG MET 1 -2.789 -2.147 19.314 9 HE1 MET 1 3HE MET 1 -5.919 0.188 18.490 10 HE2 MET 1 1HE MET 1 -5.161 1.773 18.621 11 HE3 MET 1 2HE MET 1 -5.357 0.770 20.059 12 H LEU 2 H LEU 2 -4.696 -5.145 17.233 13 HA LEU 2 HA LEU 2 -2.025 -6.254 17.859 14 HB2 LEU 2 2HB LEU 2 -2.596 -7.985 16.103 15 HB3 LEU 2 3HB LEU 2 -3.569 -8.045 17.557 16 HG LEU 2 HG LEU 2 -5.346 -6.691 16.180 17 HD11 LEU 2 1HD1 LEU 2 -5.363 -7.031 13.774 18 HD12 LEU 2 2HD1 LEU 2 -3.801 -7.847 13.844 19 HD13 LEU 2 3HD1 LEU 2 -3.922 -6.134 14.249 20 HD21 LEU 2 3HD2 LEU 2 -6.374 -8.733 15.331 21 HD22 LEU 2 1HD2 LEU 2 -5.677 -9.002 16.929 22 HD23 LEU 2 2HD2 LEU 2 -4.843 -9.599 15.493 23 H THR 3 H THR 3 -0.505 -6.365 16.048 24 HA THR 3 HA THR 3 -0.930 -4.264 14.005 25 HB THR 3 HB THR 3 1.738 -5.027 15.287 26 HG1 THR 3 HG1 THR 3 -0.038 -3.726 16.495 27 HG21 THR 3 3HG2 THR 3 0.988 -2.752 13.408 28 HG22 THR 3 1HG2 THR 3 1.982 -4.154 12.990 29 HG23 THR 3 2HG2 THR 3 2.565 -2.977 14.166 30 H VAL 4 H VAL 4 -1.052 -5.116 12.053 31 HA VAL 4 HA VAL 4 0.257 -7.661 11.379 32 HB VAL 4 HB VAL 4 -2.124 -7.606 10.838 33 HG11 VAL 4 1HG1 VAL 4 -2.488 -5.196 10.612 34 HG12 VAL 4 2HG1 VAL 4 -3.112 -6.059 9.205 35 HG13 VAL 4 3HG1 VAL 4 -1.583 -5.183 9.095 36 HG21 VAL 4 3HG2 VAL 4 -0.716 -8.889 9.314 37 HG22 VAL 4 1HG2 VAL 4 -0.420 -7.457 8.326 38 HG23 VAL 4 2HG2 VAL 4 -2.040 -8.151 8.410 39 H GLU 5 H GLU 5 2.210 -7.440 10.583 40 HA GLU 5 HA GLU 5 2.972 -5.077 8.972 41 HB2 GLU 5 2HB GLU 5 4.741 -7.124 10.384 42 HB3 GLU 5 3HB GLU 5 5.316 -5.731 9.468 43 HG2 GLU 5 2HG GLU 5 4.041 -4.255 11.105 44 HG3 GLU 5 3HG GLU 5 3.751 -5.703 12.066 45 H VAL 6 H VAL 6 3.682 -5.329 6.909 46 HA VAL 6 HA VAL 6 4.026 -7.959 5.697 47 HB VAL 6 HB VAL 6 1.565 -7.608 5.661 48 HG11 VAL 6 1HG1 VAL 6 2.067 -5.143 3.966 49 HG12 VAL 6 2HG1 VAL 6 1.468 -5.159 5.623 50 HG13 VAL 6 3HG1 VAL 6 0.490 -5.856 4.330 51 HG21 VAL 6 3HG2 VAL 6 2.587 -8.921 3.868 52 HG22 VAL 6 1HG2 VAL 6 2.789 -7.467 2.888 53 HG23 VAL 6 2HG2 VAL 6 1.169 -8.055 3.278 54 H GLU 7 H GLU 7 5.201 -7.880 3.798 55 HA GLU 7 HA GLU 7 6.282 -5.263 2.923 56 HB2 GLU 7 2HB GLU 7 7.909 -6.807 4.027 57 HB3 GLU 7 3HB GLU 7 7.575 -8.032 2.817 58 HG2 GLU 7 2HG GLU 7 8.587 -5.323 1.959 59 HG3 GLU 7 3HG GLU 7 9.709 -6.486 2.631 60 H VAL 8 H VAL 8 5.353 -4.693 1.071 61 HA VAL 8 HA VAL 8 4.404 -6.702 -0.896 62 HB VAL 8 HB VAL 8 3.549 -3.762 -0.662 63 HG11 VAL 8 1HG1 VAL 8 1.669 -4.402 -2.134 64 HG12 VAL 8 2HG1 VAL 8 2.307 -6.044 -2.245 65 HG13 VAL 8 3HG1 VAL 8 3.228 -4.694 -2.911 66 HG21 VAL 8 3HG2 VAL 8 1.453 -4.511 0.385 67 HG22 VAL 8 1HG2 VAL 8 2.842 -4.962 1.376 68 HG23 VAL 8 2HG2 VAL 8 2.031 -6.177 0.390 69 H LYS 9 H LYS 9 6.109 -6.944 -2.305 70 HA LYS 9 HA LYS 9 7.718 -4.655 -3.165 71 HB2 LYS 9 2HB LYS 9 8.783 -6.832 -2.540 72 HB3 LYS 9 3HB LYS 9 8.002 -7.599 -3.921 73 HG2 LYS 9 2HG LYS 9 9.266 -6.258 -5.477 74 HG3 LYS 9 3HG LYS 9 9.887 -5.222 -4.193 75 HD2 LYS 9 2HD LYS 9 10.529 -8.186 -4.423 76 HD3 LYS 9 3HD LYS 9 11.524 -6.918 -5.135 77 HE2 LYS 9 2HE LYS 9 12.561 -7.494 -3.077 78 HE3 LYS 9 3HE LYS 9 11.768 -5.949 -2.791 79 HZ1 LYS 9 3HZ LYS 9 10.683 -8.601 -1.987 80 HZ2 LYS 9 1HZ LYS 9 9.980 -7.096 -1.662 81 HZ3 LYS 9 2HZ LYS 9 11.458 -7.505 -0.961 82 H ILE 10 H ILE 10 7.025 -3.492 -4.819 83 HA ILE 10 HA ILE 10 5.064 -4.589 -6.723 84 HB ILE 10 HB ILE 10 5.813 -1.661 -6.274 85 HG12 ILE 10 2HG1 ILE 10 3.432 -3.157 -5.067 86 HG13 ILE 10 3HG1 ILE 10 4.885 -2.726 -4.175 87 HG21 ILE 10 1HG2 ILE 10 3.641 -1.229 -7.418 88 HG22 ILE 10 2HG2 ILE 10 3.432 -2.962 -7.664 89 HG23 ILE 10 3HG2 ILE 10 4.765 -2.114 -8.452 90 HD11 ILE 10 3HD1 ILE 10 3.071 -1.199 -3.713 91 HD12 ILE 10 1HD1 ILE 10 2.948 -0.780 -5.422 92 HD13 ILE 10 2HD1 ILE 10 4.403 -0.364 -4.510 93 H THR 11 H THR 11 6.113 -5.429 -8.448 94 HA THR 11 HA THR 11 8.412 -4.078 -9.658 95 HB THR 11 HB THR 11 8.596 -6.493 -9.510 96 HG1 THR 11 HG1 THR 11 9.640 -6.027 -11.300 97 HG21 THR 11 3HG2 THR 11 6.088 -6.706 -11.213 98 HG22 THR 11 1HG2 THR 11 6.243 -7.193 -9.524 99 HG23 THR 11 2HG2 THR 11 7.148 -8.048 -10.775 100 H ALA 12 H ALA 12 8.158 -2.661 -11.218 101 HA ALA 12 HA ALA 12 5.854 -2.698 -13.067 102 HB1 ALA 12 3HB ALA 12 6.866 -0.243 -11.572 103 HB2 ALA 12 1HB ALA 12 5.322 -1.056 -11.295 104 HB3 ALA 12 2HB ALA 12 5.626 -0.239 -12.829 105 H ASP 13 H ASP 13 6.369 -1.039 -14.917 106 HA ASP 13 HA ASP 13 8.835 -1.901 -16.123 107 HB2 ASP 13 2HB ASP 13 6.811 -1.532 -17.497 108 HB3 ASP 13 3HB ASP 13 6.790 0.171 -17.055 109 H ASP 14 H ASP 14 7.612 1.139 -14.794 110 HA ASP 14 HA ASP 14 10.335 2.317 -14.814 111 HB2 ASP 14 2HB ASP 14 8.467 3.364 -16.323 112 HB3 ASP 14 3HB ASP 14 7.744 3.929 -14.826 113 H GLU 15 H GLU 15 10.945 1.760 -12.760 114 HA GLU 15 HA GLU 15 9.271 1.691 -10.470 115 HB2 GLU 15 2HB GLU 15 11.243 1.151 -9.182 116 HB3 GLU 15 3HB GLU 15 11.344 0.316 -10.722 117 HG2 GLU 15 2HG GLU 15 12.880 2.799 -9.919 118 HG3 GLU 15 3HG GLU 15 13.525 1.165 -10.063 119 H ASN 16 H ASN 16 11.308 4.240 -11.801 120 HA ASN 16 HA ASN 16 11.457 6.039 -9.672 121 HB2 ASN 16 2HB ASN 16 12.762 6.485 -11.631 122 HB3 ASN 16 3HB ASN 16 11.357 6.421 -12.682 123 HD21 ASN 16 1HD2 ASN 16 13.113 8.399 -10.381 124 HD22 ASN 16 2HD2 ASN 16 12.343 9.890 -10.790 125 H LYS 17 H LYS 17 9.041 5.935 -12.298 126 HA LYS 17 HA LYS 17 7.250 7.803 -11.138 127 HB2 LYS 17 2HB LYS 17 6.831 5.675 -13.281 128 HB3 LYS 17 3HB LYS 17 5.597 6.846 -12.827 129 HG2 LYS 17 2HG LYS 17 8.336 7.554 -13.933 130 HG3 LYS 17 3HG LYS 17 6.841 7.504 -14.870 131 HD2 LYS 17 2HD LYS 17 5.890 9.333 -13.587 132 HD3 LYS 17 3HD LYS 17 7.244 9.314 -12.454 133 HE2 LYS 17 2HE LYS 17 7.474 10.008 -15.409 134 HE3 LYS 17 3HE LYS 17 7.368 11.178 -14.092 135 HZ1 LYS 17 3HZ LYS 17 9.653 10.808 -14.773 136 HZ2 LYS 17 1HZ LYS 17 9.519 9.160 -14.417 137 HZ3 LYS 17 2HZ LYS 17 9.414 10.301 -13.179 138 H ALA 18 H ALA 18 7.432 4.250 -11.084 139 HA ALA 18 HA ALA 18 4.973 3.536 -10.092 140 HB1 ALA 18 3HB ALA 18 6.660 1.919 -10.886 141 HB2 ALA 18 1HB ALA 18 5.999 1.453 -9.319 142 HB3 ALA 18 2HB ALA 18 7.607 2.179 -9.419 143 H GLU 19 H GLU 19 7.904 4.191 -8.133 144 HA GLU 19 HA GLU 19 6.689 3.782 -5.614 145 HB2 GLU 19 2HB GLU 19 9.118 3.649 -5.930 146 HB3 GLU 19 3HB GLU 19 9.193 5.366 -6.325 147 HG2 GLU 19 2HG GLU 19 8.511 5.968 -4.075 148 HG3 GLU 19 3HG GLU 19 8.225 4.288 -3.654 149 H GLU 20 H GLU 20 7.361 6.763 -7.475 150 HA GLU 20 HA GLU 20 6.515 8.608 -5.519 151 HB2 GLU 20 2HB GLU 20 6.706 8.851 -8.544 152 HB3 GLU 20 3HB GLU 20 6.327 10.207 -7.486 153 HG2 GLU 20 2HG GLU 20 8.875 8.570 -7.393 154 HG3 GLU 20 3HG GLU 20 8.704 10.165 -8.124 155 H ILE 21 H ILE 21 4.715 6.945 -8.075 156 HA ILE 21 HA ILE 21 2.201 8.181 -7.762 157 HB ILE 21 HB ILE 21 2.840 5.306 -8.611 158 HG12 ILE 21 2HG1 ILE 21 2.099 7.710 -10.347 159 HG13 ILE 21 3HG1 ILE 21 3.737 7.118 -10.127 160 HG21 ILE 21 1HG2 ILE 21 0.542 5.223 -9.571 161 HG22 ILE 21 2HG2 ILE 21 0.198 6.791 -8.842 162 HG23 ILE 21 3HG2 ILE 21 0.522 5.399 -7.810 163 HD11 ILE 21 3HD1 ILE 21 2.852 6.370 -12.236 164 HD12 ILE 21 1HD1 ILE 21 1.466 5.624 -11.436 165 HD13 ILE 21 2HD1 ILE 21 3.090 4.987 -11.171 166 H VAL 22 H VAL 22 3.568 5.204 -6.306 167 HA VAL 22 HA VAL 22 1.320 4.525 -4.722 168 HB VAL 22 HB VAL 22 4.250 3.680 -4.468 169 HG11 VAL 22 1HG1 VAL 22 1.823 2.410 -3.134 170 HG12 VAL 22 2HG1 VAL 22 3.116 3.280 -2.307 171 HG13 VAL 22 3HG1 VAL 22 3.462 1.758 -3.126 172 HG21 VAL 22 3HG2 VAL 22 3.140 3.072 -6.599 173 HG22 VAL 22 1HG2 VAL 22 1.867 2.245 -5.700 174 HG23 VAL 22 2HG2 VAL 22 3.528 1.646 -5.636 175 H LYS 23 H LYS 23 4.079 6.636 -4.064 176 HA LYS 23 HA LYS 23 3.717 6.960 -1.271 177 HB2 LYS 23 2HB LYS 23 4.997 8.771 -3.361 178 HB3 LYS 23 3HB LYS 23 4.995 9.150 -1.639 179 HG2 LYS 23 2HG LYS 23 6.328 7.209 -1.120 180 HG3 LYS 23 3HG LYS 23 6.157 6.585 -2.763 181 HD2 LYS 23 2HD LYS 23 8.386 7.543 -2.459 182 HD3 LYS 23 3HD LYS 23 7.472 8.490 -3.632 183 HE2 LYS 23 2HE LYS 23 6.984 10.162 -1.847 184 HE3 LYS 23 3HE LYS 23 7.976 9.221 -0.729 185 HZ1 LYS 23 3HZ LYS 23 8.983 10.369 -3.279 186 HZ2 LYS 23 1HZ LYS 23 9.891 9.615 -2.071 187 HZ3 LYS 23 2HZ LYS 23 9.162 11.109 -1.768 188 H ARG 24 H ARG 24 2.629 8.975 -4.066 189 HA ARG 24 HA ARG 24 0.950 10.729 -2.643 190 HB2 ARG 24 2HB ARG 24 1.453 11.171 -5.014 191 HB3 ARG 24 3HB ARG 24 0.631 9.692 -5.502 192 HG2 ARG 24 2HG ARG 24 -1.492 10.719 -4.461 193 HG3 ARG 24 3HG ARG 24 -0.598 12.232 -4.396 194 HD2 ARG 24 2HD ARG 24 -0.590 12.461 -6.752 195 HD3 ARG 24 3HD ARG 24 -0.919 10.738 -7.007 196 HE ARG 24 HE ARG 24 -3.146 11.241 -5.883 197 HH11 ARG 24 1HH1 ARG 24 -1.557 13.627 -7.963 198 HH12 ARG 24 2HH1 ARG 24 -3.055 14.399 -8.386 199 HH21 ARG 24 1HH2 ARG 24 -5.050 12.262 -6.427 200 HH22 ARG 24 2HH2 ARG 24 -5.039 13.620 -7.512 201 H VAL 25 H VAL 25 0.357 7.464 -3.911 202 HA VAL 25 HA VAL 25 -2.448 7.449 -3.693 203 HB VAL 25 HB VAL 25 -0.469 5.121 -3.797 204 HG11 VAL 25 1HG1 VAL 25 -2.405 3.688 -4.384 205 HG12 VAL 25 2HG1 VAL 25 -3.498 5.039 -4.087 206 HG13 VAL 25 3HG1 VAL 25 -2.568 4.352 -2.755 207 HG21 VAL 25 3HG2 VAL 25 -1.158 4.956 -6.161 208 HG22 VAL 25 1HG2 VAL 25 -0.518 6.558 -5.809 209 HG23 VAL 25 2HG2 VAL 25 -2.255 6.324 -5.946 210 H ILE 26 H ILE 26 0.074 6.102 -1.489 211 HA ILE 26 HA ILE 26 -1.788 5.110 0.428 212 HB ILE 26 HB ILE 26 1.162 5.784 0.855 213 HG12 ILE 26 2HG1 ILE 26 -0.059 3.047 0.254 214 HG13 ILE 26 3HG1 ILE 26 0.661 4.077 -0.982 215 HG21 ILE 26 1HG2 ILE 26 1.050 4.211 2.781 216 HG22 ILE 26 2HG2 ILE 26 -0.684 4.019 2.525 217 HG23 ILE 26 3HG2 ILE 26 -0.037 5.587 3.009 218 HD11 ILE 26 3HD1 ILE 26 2.090 2.938 1.416 219 HD12 ILE 26 1HD1 ILE 26 2.802 3.989 0.187 220 HD13 ILE 26 2HD1 ILE 26 2.217 2.387 -0.255 221 H ASP 27 H ASP 27 -0.152 8.213 -0.026 222 HA ASP 27 HA ASP 27 -0.851 9.509 2.370 223 HB2 ASP 27 2HB ASP 27 0.710 10.476 0.719 224 HB3 ASP 27 3HB ASP 27 -0.589 10.642 -0.452 225 H GLU 28 H GLU 28 -2.680 8.912 -0.585 226 HA GLU 28 HA GLU 28 -5.074 10.302 0.208 227 HB2 GLU 28 2HB GLU 28 -4.588 8.296 -2.040 228 HB3 GLU 28 3HB GLU 28 -6.051 9.258 -1.845 229 HG2 GLU 28 2HG GLU 28 -4.781 11.326 -2.200 230 HG3 GLU 28 3HG GLU 28 -3.278 10.417 -2.286 231 H VAL 29 H VAL 29 -3.955 6.889 0.295 232 HA VAL 29 HA VAL 29 -6.467 5.733 0.963 233 HB VAL 29 HB VAL 29 -3.732 4.510 1.613 234 HG11 VAL 29 1HG1 VAL 29 -4.962 2.340 1.472 235 HG12 VAL 29 2HG1 VAL 29 -6.472 3.222 1.242 236 HG13 VAL 29 3HG1 VAL 29 -5.582 3.380 2.759 237 HG21 VAL 29 3HG2 VAL 29 -3.899 3.289 -0.539 238 HG22 VAL 29 1HG2 VAL 29 -3.789 5.034 -0.768 239 HG23 VAL 29 2HG2 VAL 29 -5.340 4.225 -0.942 240 H GLU 30 H GLU 30 -3.826 7.096 2.774 241 HA GLU 30 HA GLU 30 -4.402 5.926 5.287 242 HB2 GLU 30 2HB GLU 30 -2.186 6.851 4.528 243 HB3 GLU 30 3HB GLU 30 -2.833 8.474 4.748 244 HG2 GLU 30 2HG GLU 30 -3.027 8.140 7.136 245 HG3 GLU 30 3HG GLU 30 -2.655 6.422 6.982 246 H ARG 31 H ARG 31 -5.081 9.112 3.887 247 HA ARG 31 HA ARG 31 -6.461 10.102 6.211 248 HB2 ARG 31 2HB ARG 31 -6.897 12.108 4.858 249 HB3 ARG 31 3HB ARG 31 -5.210 11.624 4.738 250 HG2 ARG 31 2HG ARG 31 -5.714 10.571 2.521 251 HG3 ARG 31 3HG ARG 31 -7.361 11.191 2.641 252 HD2 ARG 31 2HD ARG 31 -4.835 12.885 2.578 253 HD3 ARG 31 3HD ARG 31 -5.932 12.628 1.222 254 HE ARG 31 HE ARG 31 -7.596 13.928 2.338 255 HH11 ARG 31 1HH1 ARG 31 -4.472 14.030 3.993 256 HH12 ARG 31 2HH1 ARG 31 -4.861 15.485 4.859 257 HH21 ARG 31 1HH2 ARG 31 -8.064 15.841 3.479 258 HH22 ARG 31 2HH2 ARG 31 -6.884 16.501 4.570 259 H GLU 32 H GLU 32 -7.446 8.236 3.402 260 HA GLU 32 HA GLU 32 -10.267 8.943 3.691 261 HB2 GLU 32 2HB GLU 32 -10.745 7.610 1.791 262 HB3 GLU 32 3HB GLU 32 -9.204 8.374 1.431 263 HG2 GLU 32 2HG GLU 32 -8.030 6.280 1.964 264 HG3 GLU 32 3HG GLU 32 -9.554 5.511 2.377 265 H VAL 33 H VAL 33 -8.083 6.345 4.635 266 HA VAL 33 HA VAL 33 -10.107 4.624 5.738 267 HB VAL 33 HB VAL 33 -7.078 4.694 6.079 268 HG11 VAL 33 1HG1 VAL 33 -7.219 2.531 7.284 269 HG12 VAL 33 2HG1 VAL 33 -8.978 2.664 7.327 270 HG13 VAL 33 3HG1 VAL 33 -7.984 3.832 8.200 271 HG21 VAL 33 3HG2 VAL 33 -7.154 2.582 4.790 272 HG22 VAL 33 1HG2 VAL 33 -7.903 3.905 3.893 273 HG23 VAL 33 2HG2 VAL 33 -8.913 2.697 4.692 274 H GLN 34 H GLN 34 -8.206 7.371 6.971 275 HA GLN 34 HA GLN 34 -8.789 7.017 9.722 276 HB2 GLN 34 2HB GLN 34 -8.211 9.608 8.230 277 HB3 GLN 34 3HB GLN 34 -8.302 9.475 9.984 278 HG2 GLN 34 2HG GLN 34 -6.249 8.202 8.163 279 HG3 GLN 34 3HG GLN 34 -5.984 9.504 9.310 280 HE21 GLN 34 1HE2 GLN 34 -4.665 6.889 9.062 281 HE22 GLN 34 2HE2 GLN 34 -4.867 6.102 10.588 282 H LYS 35 H LYS 35 -10.795 8.121 7.106 283 HA LYS 35 HA LYS 35 -12.773 9.554 8.598 284 HB2 LYS 35 2HB LYS 35 -13.137 8.057 5.960 285 HB3 LYS 35 3HB LYS 35 -14.210 9.296 6.606 286 HG2 LYS 35 2HG LYS 35 -12.357 10.964 6.364 287 HG3 LYS 35 3HG LYS 35 -11.365 9.710 5.614 288 HD2 LYS 35 2HD LYS 35 -13.980 10.855 4.542 289 HD3 LYS 35 3HD LYS 35 -12.372 11.085 3.860 290 HE2 LYS 35 2HE LYS 35 -12.261 8.668 3.317 291 HE3 LYS 35 3HE LYS 35 -13.868 8.437 4.004 292 HZ1 LYS 35 3HZ LYS 35 -13.295 10.238 1.712 293 HZ2 LYS 35 1HZ LYS 35 -14.813 9.787 2.299 294 HZ3 LYS 35 2HZ LYS 35 -13.826 8.642 1.545 295 H GLN 36 H GLN 36 -12.193 6.170 7.864 296 HA GLN 36 HA GLN 36 -14.817 5.257 8.815 297 HB2 GLN 36 2HB GLN 36 -12.487 3.635 7.674 298 HB3 GLN 36 3HB GLN 36 -14.142 3.083 7.902 299 HG2 GLN 36 2HG GLN 36 -13.224 5.197 5.934 300 HG3 GLN 36 3HG GLN 36 -13.688 3.541 5.544 301 HE21 GLN 36 1HE2 GLN 36 -15.908 2.961 5.695 302 HE22 GLN 36 2HE2 GLN 36 -17.162 4.152 5.677 303 H TYR 37 H TYR 37 -11.381 4.684 9.451 304 HA TYR 37 HA TYR 37 -11.901 3.811 12.214 305 HB2 TYR 37 2HB TYR 37 -9.633 2.738 10.470 306 HB3 TYR 37 3HB TYR 37 -10.187 2.115 12.020 307 HD1 TYR 37 HD1 TYR 37 -12.660 1.184 12.081 308 HD2 TYR 37 HD2 TYR 37 -10.418 1.718 8.479 309 HE1 TYR 37 HE1 TYR 37 -14.167 -0.364 10.910 310 HE2 TYR 37 HE2 TYR 37 -11.923 0.169 7.317 311 HH TYR 37 HH TYR 37 -13.503 -1.593 7.770 312 HA PRO 38 HA PRO 38 -9.126 7.588 12.197 313 HB2 PRO 38 2HB PRO 38 -10.120 8.728 14.484 314 HB3 PRO 38 3HB PRO 38 -10.943 8.867 12.917 315 HG2 PRO 38 2HG PRO 38 -11.508 6.933 15.155 316 HG3 PRO 38 3HG PRO 38 -12.649 7.954 14.245 317 HD2 PRO 38 2HD PRO 38 -12.309 5.351 13.617 318 HD3 PRO 38 3HD PRO 38 -12.590 6.574 12.354 319 H ASN 39 H ASN 39 -9.636 5.069 14.501 320 HA ASN 39 HA ASN 39 -7.458 5.792 16.302 321 HB2 ASN 39 2HB ASN 39 -9.194 3.280 16.247 322 HB3 ASN 39 3HB ASN 39 -8.123 3.776 17.555 323 HD21 ASN 39 1HD2 ASN 39 -8.828 5.350 19.003 324 HD22 ASN 39 2HD2 ASN 39 -10.431 5.986 18.998 325 H ALA 40 H ALA 40 -8.025 3.775 13.533 326 HA ALA 40 HA ALA 40 -5.849 1.937 13.907 327 HB1 ALA 40 3HB ALA 40 -6.361 1.221 11.597 328 HB2 ALA 40 1HB ALA 40 -7.474 2.583 11.423 329 HB3 ALA 40 2HB ALA 40 -7.817 1.303 12.591 330 H THR 41 H THR 41 -3.804 1.986 12.967 331 HA THR 41 HA THR 41 -2.890 4.620 11.949 332 HB THR 41 HB THR 41 -1.331 2.585 13.614 333 HG1 THR 41 HG1 THR 41 -3.183 4.241 14.438 334 HG21 THR 41 3HG2 THR 41 -0.611 5.440 12.826 335 HG22 THR 41 1HG2 THR 41 0.133 3.981 12.162 336 HG23 THR 41 2HG2 THR 41 0.343 4.384 13.867 337 H ILE 42 H ILE 42 -1.975 4.613 9.966 338 HA ILE 42 HA ILE 42 -1.077 2.079 8.720 339 HB ILE 42 HB ILE 42 -1.921 4.696 7.386 340 HG12 ILE 42 2HG1 ILE 42 -3.397 2.024 7.497 341 HG13 ILE 42 3HG1 ILE 42 -3.815 3.444 8.449 342 HG21 ILE 42 1HG2 ILE 42 -1.801 3.440 5.248 343 HG22 ILE 42 2HG2 ILE 42 -1.187 2.029 6.109 344 HG23 ILE 42 3HG2 ILE 42 -0.224 3.506 6.043 345 HD11 ILE 42 3HD1 ILE 42 -5.258 3.116 6.508 346 HD12 ILE 42 1HD1 ILE 42 -3.872 3.323 5.439 347 HD13 ILE 42 2HD1 ILE 42 -4.405 4.654 6.471 348 H THR 43 H THR 43 1.049 1.929 9.154 349 HA THR 43 HA THR 43 2.882 4.192 8.702 350 HB THR 43 HB THR 43 3.449 1.424 9.883 351 HG1 THR 43 HG1 THR 43 2.880 3.924 11.131 352 HG21 THR 43 3HG2 THR 43 5.488 2.504 8.980 353 HG22 THR 43 1HG2 THR 43 5.529 2.438 10.744 354 HG23 THR 43 2HG2 THR 43 5.141 3.953 9.927 355 H ARG 44 H ARG 44 4.417 4.067 7.038 356 HA ARG 44 HA ARG 44 4.505 1.767 5.243 357 HB2 ARG 44 2HB ARG 44 3.850 2.944 3.250 358 HB3 ARG 44 3HB ARG 44 2.567 3.121 4.431 359 HG2 ARG 44 2HG ARG 44 4.607 5.277 3.784 360 HG3 ARG 44 3HG ARG 44 3.015 5.161 3.045 361 HD2 ARG 44 2HD ARG 44 2.720 6.780 4.716 362 HD3 ARG 44 3HD ARG 44 2.102 5.314 5.481 363 HE ARG 44 HE ARG 44 4.873 5.725 6.051 364 HH11 ARG 44 1HH1 ARG 44 1.681 6.898 7.001 365 HH12 ARG 44 2HH1 ARG 44 2.208 7.376 8.584 366 HH21 ARG 44 1HH2 ARG 44 5.534 6.321 8.145 367 HH22 ARG 44 2HH2 ARG 44 4.389 7.050 9.233 368 H THR 45 H THR 45 6.354 1.641 4.013 369 HA THR 45 HA THR 45 8.267 3.875 3.959 370 HB THR 45 HB THR 45 9.042 1.080 4.951 371 HG1 THR 45 HG1 THR 45 9.669 2.786 6.786 372 HG21 THR 45 3HG2 THR 45 10.738 3.595 4.641 373 HG22 THR 45 1HG2 THR 45 10.882 2.121 3.674 374 HG23 THR 45 2HG2 THR 45 11.267 2.092 5.396 375 H LEU 46 H LEU 46 8.932 4.098 1.883 376 HA LEU 46 HA LEU 46 8.910 1.751 0.070 377 HB2 LEU 46 2HB LEU 46 8.555 4.688 -0.655 378 HB3 LEU 46 3HB LEU 46 8.602 3.353 -1.788 379 HG LEU 46 HG LEU 46 6.489 2.478 -0.433 380 HD11 LEU 46 1HD1 LEU 46 6.573 4.146 1.370 381 HD12 LEU 46 2HD1 LEU 46 5.054 4.223 0.481 382 HD13 LEU 46 3HD1 LEU 46 6.304 5.437 0.195 383 HD21 LEU 46 3HD2 LEU 46 4.994 3.703 -1.964 384 HD22 LEU 46 1HD2 LEU 46 6.422 3.066 -2.779 385 HD23 LEU 46 2HD2 LEU 46 6.324 4.782 -2.386 386 H THR 47 H THR 47 10.818 1.166 -0.760 387 HA THR 47 HA THR 47 13.018 3.074 -1.127 388 HB THR 47 HB THR 47 13.440 0.442 0.380 389 HG1 THR 47 HG1 THR 47 12.937 3.048 1.307 390 HG21 THR 47 3HG2 THR 47 15.336 2.772 -0.112 391 HG22 THR 47 1HG2 THR 47 15.435 1.180 -0.871 392 HG23 THR 47 2HG2 THR 47 15.692 1.347 0.866 393 H ARG 48 H ARG 48 14.479 2.400 -2.802 394 HA ARG 48 HA ARG 48 13.329 0.559 -4.740 395 HB2 ARG 48 2HB ARG 48 15.805 2.347 -4.856 396 HB3 ARG 48 3HB ARG 48 15.348 1.263 -6.159 397 HG2 ARG 48 2HG ARG 48 14.691 3.508 -6.719 398 HG3 ARG 48 3HG ARG 48 13.236 2.546 -6.460 399 HD2 ARG 48 2HD ARG 48 13.177 4.874 -5.486 400 HD3 ARG 48 3HD ARG 48 12.831 3.574 -4.343 401 HE ARG 48 HE ARG 48 15.587 4.527 -4.451 402 HH11 ARG 48 1HH1 ARG 48 12.485 4.734 -2.759 403 HH12 ARG 48 2HH1 ARG 48 13.199 5.396 -1.318 404 HH21 ARG 48 1HH2 ARG 48 16.486 5.329 -2.529 405 HH22 ARG 48 2HH2 ARG 48 15.451 5.731 -1.191 406 H ASP 49 H ASP 49 13.621 -1.514 -4.147 407 HA ASP 49 HA ASP 49 16.170 -2.498 -3.087 408 HB2 ASP 49 2HB ASP 49 13.949 -3.298 -2.162 409 HB3 ASP 49 3HB ASP 49 13.619 -4.068 -3.705 410 H ASP 50 H ASP 50 17.243 -1.809 -5.014 411 HA ASP 50 HA ASP 50 18.405 -2.112 -6.896 412 HB2 ASP 50 2HB ASP 50 19.038 -4.205 -5.705 413 HB3 ASP 50 3HB ASP 50 17.719 -5.054 -6.502 414 H GLY 51 H GLY 51 16.540 -0.882 -7.823 415 HA2 GLY 51 2HA GLY 51 15.577 -0.368 -9.859 416 HA3 GLY 51 3HA GLY 51 15.920 -1.993 -10.423 417 H THR 52 H THR 52 14.376 -2.776 -7.766 418 HA THR 52 HA THR 52 11.645 -2.572 -8.883 419 HB THR 52 HB THR 52 12.631 -4.528 -6.735 420 HG1 THR 52 HG1 THR 52 13.789 -4.819 -8.734 421 HG21 THR 52 3HG2 THR 52 10.256 -4.705 -8.634 422 HG22 THR 52 1HG2 THR 52 10.145 -4.220 -6.938 423 HG23 THR 52 2HG2 THR 52 10.666 -5.852 -7.359 424 H VAL 53 H VAL 53 9.977 -1.724 -7.494 425 HA VAL 53 HA VAL 53 10.888 -0.170 -5.198 426 HB VAL 53 HB VAL 53 8.030 -0.493 -6.270 427 HG11 VAL 53 1HG1 VAL 53 9.168 1.529 -4.292 428 HG12 VAL 53 2HG1 VAL 53 8.055 0.214 -3.908 429 HG13 VAL 53 3HG1 VAL 53 7.524 1.545 -4.937 430 HG21 VAL 53 3HG2 VAL 53 10.054 1.720 -6.788 431 HG22 VAL 53 1HG2 VAL 53 8.365 1.742 -7.307 432 HG23 VAL 53 2HG2 VAL 53 9.477 0.540 -7.965 433 H GLU 54 H GLU 54 10.887 -0.931 -3.192 434 HA GLU 54 HA GLU 54 9.200 -3.241 -2.439 435 HB2 GLU 54 2HB GLU 54 11.610 -3.670 -2.162 436 HB3 GLU 54 3HB GLU 54 11.783 -2.231 -1.160 437 HG2 GLU 54 2HG GLU 54 10.383 -3.214 0.579 438 HG3 GLU 54 3HG GLU 54 10.034 -4.614 -0.428 439 H LEU 55 H LEU 55 7.386 -2.397 -1.712 440 HA LEU 55 HA LEU 55 7.298 -0.119 0.149 441 HB2 LEU 55 2HB LEU 55 5.633 -0.045 -1.586 442 HB3 LEU 55 3HB LEU 55 5.205 -1.732 -1.354 443 HG LEU 55 HG LEU 55 4.166 -1.171 0.837 444 HD11 LEU 55 1HD1 LEU 55 4.812 1.712 0.174 445 HD12 LEU 55 2HD1 LEU 55 5.511 0.752 1.481 446 HD13 LEU 55 3HD1 LEU 55 3.798 1.159 1.510 447 HD21 LEU 55 3HD2 LEU 55 2.188 -0.015 -0.037 448 HD22 LEU 55 1HD2 LEU 55 2.774 -1.230 -1.175 449 HD23 LEU 55 2HD2 LEU 55 3.095 0.481 -1.468 450 H ARG 56 H ARG 56 6.834 -0.390 2.286 451 HA ARG 56 HA ARG 56 6.188 -3.084 3.327 452 HB2 ARG 56 2HB ARG 56 8.186 -1.077 4.472 453 HB3 ARG 56 3HB ARG 56 7.639 -2.526 5.321 454 HG2 ARG 56 2HG ARG 56 8.511 -3.917 3.435 455 HG3 ARG 56 3HG ARG 56 9.135 -2.451 2.683 456 HD2 ARG 56 2HD ARG 56 10.697 -2.116 4.498 457 HD3 ARG 56 3HD ARG 56 9.977 -3.440 5.420 458 HE ARG 56 HE ARG 56 11.441 -3.763 2.869 459 HH11 ARG 56 1HH1 ARG 56 10.542 -5.042 6.028 460 HH12 ARG 56 2HH1 ARG 56 11.496 -6.482 5.848 461 HH21 ARG 56 1HH2 ARG 56 12.664 -5.652 2.633 462 HH22 ARG 56 2HH2 ARG 56 12.698 -6.823 3.915 463 H ILE 57 H ILE 57 4.178 -2.965 3.962 464 HA ILE 57 HA ILE 57 3.037 -0.532 5.159 465 HB ILE 57 HB ILE 57 1.746 -3.062 4.034 466 HG12 ILE 57 2HG1 ILE 57 2.570 -1.465 2.312 467 HG13 ILE 57 3HG1 ILE 57 0.815 -1.591 2.293 468 HG21 ILE 57 1HG2 ILE 57 0.388 -2.323 5.932 469 HG22 ILE 57 2HG2 ILE 57 -0.459 -2.009 4.418 470 HG23 ILE 57 3HG2 ILE 57 0.326 -0.684 5.280 471 HD11 ILE 57 3HD1 ILE 57 1.567 0.700 1.975 472 HD12 ILE 57 1HD1 ILE 57 2.397 0.667 3.530 473 HD13 ILE 57 2HD1 ILE 57 0.636 0.548 3.464 474 H LYS 58 H LYS 58 2.474 -0.471 7.246 475 HA LYS 58 HA LYS 58 2.290 -2.905 8.900 476 HB2 LYS 58 2HB LYS 58 4.462 -1.913 9.404 477 HB3 LYS 58 3HB LYS 58 3.776 -0.299 9.494 478 HG2 LYS 58 2HG LYS 58 2.516 -0.998 11.548 479 HG3 LYS 58 3HG LYS 58 3.337 -2.561 11.471 480 HD2 LYS 58 2HD LYS 58 5.528 -1.435 11.743 481 HD3 LYS 58 3HD LYS 58 4.725 0.138 11.777 482 HE2 LYS 58 2HE LYS 58 3.563 -0.488 13.854 483 HE3 LYS 58 3HE LYS 58 4.316 -2.084 13.805 484 HZ1 LYS 58 3HZ LYS 58 6.491 -0.982 13.994 485 HZ2 LYS 58 1HZ LYS 58 5.495 -0.680 15.323 486 HZ3 LYS 58 2HZ LYS 58 5.718 0.513 14.151 487 H VAL 59 H VAL 59 0.079 -2.921 9.117 488 HA VAL 59 HA VAL 59 -1.333 -0.414 9.847 489 HB VAL 59 HB VAL 59 -2.528 -3.067 8.871 490 HG11 VAL 59 1HG1 VAL 59 -3.950 -0.448 9.512 491 HG12 VAL 59 2HG1 VAL 59 -4.053 -1.939 10.452 492 HG13 VAL 59 3HG1 VAL 59 -4.697 -1.887 8.811 493 HG21 VAL 59 3HG2 VAL 59 -2.305 -0.377 7.458 494 HG22 VAL 59 1HG2 VAL 59 -3.135 -1.803 6.827 495 HG23 VAL 59 2HG2 VAL 59 -1.387 -1.832 7.068 496 H LYS 60 H LYS 60 -2.143 -0.194 11.830 497 HA LYS 60 HA LYS 60 -2.093 -2.471 13.724 498 HB2 LYS 60 2HB LYS 60 -0.377 -0.677 14.146 499 HB3 LYS 60 3HB LYS 60 -1.681 0.491 14.322 500 HG2 LYS 60 2HG LYS 60 -2.538 -0.749 16.283 501 HG3 LYS 60 3HG LYS 60 -1.248 -1.941 16.092 502 HD2 LYS 60 2HD LYS 60 -0.671 -0.345 17.866 503 HD3 LYS 60 3HD LYS 60 0.447 -0.163 16.511 504 HE2 LYS 60 2HE LYS 60 -0.791 1.820 15.738 505 HE3 LYS 60 3HE LYS 60 -1.970 1.611 17.035 506 HZ1 LYS 60 3HZ LYS 60 0.907 2.272 17.346 507 HZ2 LYS 60 1HZ LYS 60 -0.140 1.926 18.629 508 HZ3 LYS 60 2HZ LYS 60 -0.413 3.280 17.658 509 H ALA 61 H ALA 61 -4.102 -3.079 14.186 510 HA ALA 61 HA ALA 61 -6.273 -1.180 14.719 511 HB1 ALA 61 3HB ALA 61 -6.493 -1.638 12.294 512 HB2 ALA 61 1HB ALA 61 -7.849 -2.319 13.196 513 HB3 ALA 61 2HB ALA 61 -6.553 -3.371 12.622 514 H ASP 62 H ASP 62 -8.142 -2.308 15.773 515 HA ASP 62 HA ASP 62 -7.124 -3.914 17.872 516 HB2 ASP 62 2HB ASP 62 -9.977 -3.135 17.200 517 HB3 ASP 62 3HB ASP 62 -9.517 -3.976 18.682 518 H THR 63 H THR 63 -9.514 -4.693 15.343 519 HA THR 63 HA THR 63 -8.981 -7.574 15.727 520 HB THR 63 HB THR 63 -10.830 -7.901 14.029 521 HG1 THR 63 HG1 THR 63 -11.542 -5.187 14.414 522 HG21 THR 63 3HG2 THR 63 -11.360 -8.029 16.427 523 HG22 THR 63 1HG2 THR 63 -12.693 -7.310 15.524 524 HG23 THR 63 2HG2 THR 63 -11.620 -6.282 16.475 525 H GLU 64 H GLU 64 -7.996 -8.813 14.152 526 HA GLU 64 HA GLU 64 -6.367 -7.615 12.179 527 HB2 GLU 64 2HB GLU 64 -5.790 -9.881 11.462 528 HB3 GLU 64 3HB GLU 64 -5.784 -9.761 13.211 529 HG2 GLU 64 2HG GLU 64 -6.765 -11.835 12.875 530 HG3 GLU 64 3HG GLU 64 -8.160 -10.784 13.090 531 H GLU 65 H GLU 65 -9.670 -8.675 12.166 532 HA GLU 65 HA GLU 65 -10.306 -8.878 9.490 533 HB2 GLU 65 2HB GLU 65 -11.816 -9.281 11.458 534 HB3 GLU 65 3HB GLU 65 -11.943 -7.550 11.706 535 HG2 GLU 65 2HG GLU 65 -12.848 -8.930 9.162 536 HG3 GLU 65 3HG GLU 65 -13.906 -8.695 10.544 537 H LYS 66 H LYS 66 -10.434 -5.879 11.470 538 HA LYS 66 HA LYS 66 -10.908 -4.124 9.294 539 HB2 LYS 66 2HB LYS 66 -9.814 -3.538 12.085 540 HB3 LYS 66 3HB LYS 66 -10.301 -2.296 10.929 541 HG2 LYS 66 2HG LYS 66 -12.606 -3.171 10.944 542 HG3 LYS 66 3HG LYS 66 -12.129 -4.418 12.103 543 HD2 LYS 66 2HD LYS 66 -11.585 -2.667 13.769 544 HD3 LYS 66 3HD LYS 66 -12.021 -1.412 12.603 545 HE2 LYS 66 2HE LYS 66 -14.342 -2.266 12.565 546 HE3 LYS 66 3HE LYS 66 -13.900 -3.511 13.736 547 HZ1 LYS 66 3HZ LYS 66 -13.452 -1.837 15.363 548 HZ2 LYS 66 1HZ LYS 66 -14.991 -1.557 14.725 549 HZ3 LYS 66 2HZ LYS 66 -13.691 -0.594 14.244 550 H ALA 67 H ALA 67 -7.972 -5.207 10.936 551 HA ALA 67 HA ALA 67 -6.115 -3.446 9.804 552 HB1 ALA 67 3HB ALA 67 -4.445 -4.992 10.626 553 HB2 ALA 67 1HB ALA 67 -5.643 -6.288 10.744 554 HB3 ALA 67 2HB ALA 67 -5.753 -4.879 11.797 555 H LYS 68 H LYS 68 -7.189 -6.673 8.629 556 HA LYS 68 HA LYS 68 -5.436 -6.760 6.356 557 HB2 LYS 68 2HB LYS 68 -8.011 -8.338 6.814 558 HB3 LYS 68 3HB LYS 68 -6.794 -8.688 5.594 559 HG2 LYS 68 2HG LYS 68 -6.444 -8.904 8.588 560 HG3 LYS 68 3HG LYS 68 -6.633 -10.238 7.455 561 HD2 LYS 68 2HD LYS 68 -4.484 -9.704 6.419 562 HD3 LYS 68 3HD LYS 68 -4.306 -8.279 7.455 563 HE2 LYS 68 2HE LYS 68 -2.985 -10.236 8.254 564 HE3 LYS 68 3HE LYS 68 -4.171 -9.685 9.440 565 HZ1 LYS 68 3HZ LYS 68 -4.607 -11.965 7.582 566 HZ2 LYS 68 1HZ LYS 68 -5.604 -11.491 8.864 567 HZ3 LYS 68 2HZ LYS 68 -4.068 -12.122 9.175 568 H SER 69 H SER 69 -8.696 -5.630 6.975 569 HA SER 69 HA SER 69 -9.618 -5.286 4.330 570 HB2 SER 69 2HB SER 69 -11.090 -5.281 6.339 571 HB3 SER 69 3HB SER 69 -10.396 -3.744 6.849 572 HG SER 69 HG SER 69 -11.344 -3.711 4.266 573 H ILE 70 H ILE 70 -7.906 -3.140 6.578 574 HA ILE 70 HA ILE 70 -7.805 -0.828 4.941 575 HB ILE 70 HB ILE 70 -6.062 -1.709 7.288 576 HG12 ILE 70 2HG1 ILE 70 -8.303 0.374 7.192 577 HG13 ILE 70 3HG1 ILE 70 -8.526 -1.283 7.736 578 HG21 ILE 70 1HG2 ILE 70 -4.783 -0.113 5.921 579 HG22 ILE 70 2HG2 ILE 70 -5.272 0.632 7.443 580 HG23 ILE 70 3HG2 ILE 70 -6.134 1.024 5.953 581 HD11 ILE 70 3HD1 ILE 70 -6.750 0.780 9.028 582 HD12 ILE 70 1HD1 ILE 70 -6.947 -0.892 9.562 583 HD13 ILE 70 2HD1 ILE 70 -8.317 0.218 9.611 584 H ILE 71 H ILE 71 -5.484 -3.536 5.450 585 HA ILE 71 HA ILE 71 -3.457 -2.719 3.683 586 HB ILE 71 HB ILE 71 -4.372 -5.566 4.325 587 HG12 ILE 71 2HG1 ILE 71 -2.044 -3.928 5.435 588 HG13 ILE 71 3HG1 ILE 71 -3.538 -4.294 6.291 589 HG21 ILE 71 1HG2 ILE 71 -1.791 -4.716 2.946 590 HG22 ILE 71 2HG2 ILE 71 -3.129 -5.578 2.185 591 HG23 ILE 71 3HG2 ILE 71 -2.186 -6.358 3.456 592 HD11 ILE 71 3HD1 ILE 71 -2.980 -6.669 6.256 593 HD12 ILE 71 1HD1 ILE 71 -1.727 -5.708 7.037 594 HD13 ILE 71 2HD1 ILE 71 -1.479 -6.305 5.398 595 H LYS 72 H LYS 72 -6.487 -4.520 3.075 596 HA LYS 72 HA LYS 72 -5.956 -5.106 0.346 597 HB2 LYS 72 2HB LYS 72 -7.560 -6.430 1.695 598 HB3 LYS 72 3HB LYS 72 -8.640 -5.042 1.804 599 HG2 LYS 72 2HG LYS 72 -9.067 -5.115 -0.594 600 HG3 LYS 72 3HG LYS 72 -7.851 -6.376 -0.817 601 HD2 LYS 72 2HD LYS 72 -9.211 -7.969 0.453 602 HD3 LYS 72 3HD LYS 72 -10.390 -6.707 0.830 603 HE2 LYS 72 2HE LYS 72 -11.205 -8.151 -0.980 604 HE3 LYS 72 3HE LYS 72 -10.948 -6.508 -1.568 605 HZ1 LYS 72 3HZ LYS 72 -9.144 -8.833 -1.996 606 HZ2 LYS 72 1HZ LYS 72 -8.809 -7.256 -2.498 607 HZ3 LYS 72 2HZ LYS 72 -10.116 -8.092 -3.159 608 H LEU 73 H LEU 73 -7.582 -2.384 1.988 609 HA LEU 73 HA LEU 73 -8.515 -1.026 -0.304 610 HB2 LEU 73 2HB LEU 73 -7.973 -0.272 2.539 611 HB3 LEU 73 3HB LEU 73 -7.936 1.061 1.403 612 HG LEU 73 HG LEU 73 -10.258 0.559 0.705 613 HD11 LEU 73 1HD1 LEU 73 -11.659 -1.040 1.904 614 HD12 LEU 73 2HD1 LEU 73 -10.255 -1.607 2.811 615 HD13 LEU 73 3HD1 LEU 73 -10.335 -1.847 1.064 616 HD21 LEU 73 3HD2 LEU 73 -9.933 0.888 3.702 617 HD22 LEU 73 1HD2 LEU 73 -11.387 1.280 2.779 618 HD23 LEU 73 2HD2 LEU 73 -9.897 2.176 2.493 619 H ILE 74 H ILE 74 -5.378 -0.885 1.401 620 HA ILE 74 HA ILE 74 -4.086 1.010 -0.244 621 HB ILE 74 HB ILE 74 -2.837 -1.306 1.328 622 HG12 ILE 74 2HG1 ILE 74 -3.212 1.615 2.157 623 HG13 ILE 74 3HG1 ILE 74 -4.208 0.283 2.716 624 HG21 ILE 74 1HG2 ILE 74 -1.250 -0.435 -0.349 625 HG22 ILE 74 2HG2 ILE 74 -0.732 -0.012 1.282 626 HG23 ILE 74 3HG2 ILE 74 -1.493 1.207 0.258 627 HD11 ILE 74 3HD1 ILE 74 -2.607 0.920 4.395 628 HD12 ILE 74 1HD1 ILE 74 -1.272 0.659 3.271 629 HD13 ILE 74 2HD1 ILE 74 -2.254 -0.706 3.813 630 H GLU 75 H GLU 75 -4.359 -2.540 -0.477 631 HA GLU 75 HA GLU 75 -2.636 -3.010 -2.644 632 HB2 GLU 75 2HB GLU 75 -5.095 -4.567 -1.739 633 HB3 GLU 75 3HB GLU 75 -3.934 -5.153 -2.921 634 HG2 GLU 75 2HG GLU 75 -3.298 -4.518 -0.029 635 HG3 GLU 75 3HG GLU 75 -3.624 -6.125 -0.661 636 H GLU 76 H GLU 76 -6.166 -2.426 -2.568 637 HA GLU 76 HA GLU 76 -6.687 -2.684 -5.323 638 HB2 GLU 76 2HB GLU 76 -8.171 -1.093 -3.187 639 HB3 GLU 76 3HB GLU 76 -8.792 -1.364 -4.808 640 HG2 GLU 76 2HG GLU 76 -8.213 -3.526 -2.769 641 HG3 GLU 76 3HG GLU 76 -9.802 -2.864 -3.127 642 H ARG 77 H ARG 77 -5.809 0.120 -3.355 643 HA ARG 77 HA ARG 77 -6.291 2.086 -5.379 644 HB2 ARG 77 2HB ARG 77 -4.849 2.182 -2.705 645 HB3 ARG 77 3HB ARG 77 -5.047 3.594 -3.730 646 HG2 ARG 77 2HG ARG 77 -7.346 1.979 -2.583 647 HG3 ARG 77 3HG ARG 77 -6.694 3.455 -1.871 648 HD2 ARG 77 2HD ARG 77 -7.280 4.667 -3.984 649 HD3 ARG 77 3HD ARG 77 -8.053 3.189 -4.572 650 HE ARG 77 HE ARG 77 -8.909 4.438 -2.037 651 HH11 ARG 77 1HH1 ARG 77 -9.760 3.445 -5.325 652 HH12 ARG 77 2HH1 ARG 77 -11.455 3.717 -5.066 653 HH21 ARG 77 1HH2 ARG 77 -11.097 4.766 -1.749 654 HH22 ARG 77 2HH2 ARG 77 -12.208 4.466 -3.045 655 H ILE 78 H ILE 78 -3.244 0.709 -3.978 656 HA ILE 78 HA ILE 78 -1.485 2.258 -5.562 657 HB ILE 78 HB ILE 78 0.347 0.742 -4.894 658 HG12 ILE 78 2HG1 ILE 78 -1.837 -1.065 -3.754 659 HG13 ILE 78 3HG1 ILE 78 -0.756 -1.452 -5.082 660 HG21 ILE 78 1HG2 ILE 78 0.197 1.007 -2.441 661 HG22 ILE 78 2HG2 ILE 78 -1.537 1.302 -2.572 662 HG23 ILE 78 3HG2 ILE 78 -0.395 2.448 -3.275 663 HD11 ILE 78 3HD1 ILE 78 -0.096 -2.606 -3.066 664 HD12 ILE 78 1HD1 ILE 78 0.040 -1.079 -2.192 665 HD13 ILE 78 2HD1 ILE 78 1.142 -1.439 -3.525 666 H GLU 79 H GLU 79 -2.956 -0.920 -6.033 667 HA GLU 79 HA GLU 79 -1.770 -1.684 -8.447 668 HB2 GLU 79 2HB GLU 79 -3.159 -3.204 -7.134 669 HB3 GLU 79 3HB GLU 79 -4.567 -2.173 -7.354 670 HG2 GLU 79 2HG GLU 79 -4.795 -4.106 -8.765 671 HG3 GLU 79 3HG GLU 79 -4.540 -2.694 -9.785 672 H GLU 80 H GLU 80 -4.870 0.038 -7.905 673 HA GLU 80 HA GLU 80 -5.656 0.249 -10.571 674 HB2 GLU 80 2HB GLU 80 -7.167 0.539 -8.633 675 HB3 GLU 80 3HB GLU 80 -6.372 2.053 -8.224 676 HG2 GLU 80 2HG GLU 80 -8.483 2.530 -9.306 677 HG3 GLU 80 3HG GLU 80 -7.169 3.024 -10.370 678 H GLU 81 H GLU 81 -4.006 2.648 -8.523 679 HA GLU 81 HA GLU 81 -4.073 4.739 -10.455 680 HB2 GLU 81 2HB GLU 81 -2.379 4.525 -7.939 681 HB3 GLU 81 3HB GLU 81 -2.692 5.992 -8.856 682 HG2 GLU 81 2HG GLU 81 -4.693 4.380 -7.261 683 HG3 GLU 81 3HG GLU 81 -4.057 5.972 -6.859 684 H LEU 82 H LEU 82 -1.533 2.448 -9.378 685 HA LEU 82 HA LEU 82 0.578 3.633 -10.904 686 HB2 LEU 82 2HB LEU 82 0.514 1.842 -8.873 687 HB3 LEU 82 3HB LEU 82 0.661 0.701 -10.189 688 HG LEU 82 HG LEU 82 2.647 2.909 -9.483 689 HD11 LEU 82 1HD1 LEU 82 2.927 -0.100 -9.234 690 HD12 LEU 82 2HD1 LEU 82 2.648 1.025 -7.903 691 HD13 LEU 82 3HD1 LEU 82 4.146 1.113 -8.823 692 HD21 LEU 82 3HD2 LEU 82 4.136 1.928 -11.169 693 HD22 LEU 82 1HD2 LEU 82 2.658 2.560 -11.895 694 HD23 LEU 82 2HD2 LEU 82 2.854 0.823 -11.667 695 H ARG 83 H ARG 83 -1.868 1.198 -11.552 696 HA ARG 83 HA ARG 83 -0.641 0.016 -13.840 697 HB2 ARG 83 2HB ARG 83 -2.422 -0.977 -12.209 698 HB3 ARG 83 3HB ARG 83 -3.607 -0.170 -13.228 699 HG2 ARG 83 2HG ARG 83 -2.825 -1.476 -15.173 700 HG3 ARG 83 3HG ARG 83 -1.603 -2.250 -14.161 701 HD2 ARG 83 2HD ARG 83 -3.472 -3.145 -12.721 702 HD3 ARG 83 3HD ARG 83 -4.613 -2.506 -13.905 703 HE ARG 83 HE ARG 83 -3.841 -4.093 -15.489 704 HH11 ARG 83 1HH1 ARG 83 -2.399 -4.597 -12.292 705 HH12 ARG 83 2HH1 ARG 83 -1.943 -6.238 -12.644 706 HH21 ARG 83 1HH2 ARG 83 -3.220 -6.229 -15.917 707 HH22 ARG 83 2HH2 ARG 83 -2.407 -7.153 -14.690 708 H LYS 84 H LYS 84 -2.574 2.838 -13.409 709 HA LYS 84 HA LYS 84 -3.587 3.251 -16.011 710 HB2 LYS 84 2HB LYS 84 -2.669 5.292 -13.944 711 HB3 LYS 84 3HB LYS 84 -3.627 5.683 -15.373 712 HG2 LYS 84 2HG LYS 84 -5.486 4.351 -14.554 713 HG3 LYS 84 3HG LYS 84 -4.530 3.787 -13.180 714 HD2 LYS 84 2HD LYS 84 -4.401 6.126 -12.337 715 HD3 LYS 84 3HD LYS 84 -5.395 6.661 -13.696 716 HE2 LYS 84 2HE LYS 84 -7.261 5.271 -12.895 717 HE3 LYS 84 3HE LYS 84 -6.262 4.678 -11.564 718 HZ1 LYS 84 3HZ LYS 84 -6.149 6.912 -10.685 719 HZ2 LYS 84 1HZ LYS 84 -7.758 6.448 -10.879 720 HZ3 LYS 84 2HZ LYS 84 -7.053 7.510 -11.979 721 H ARG 85 H ARG 85 -0.337 3.449 -14.806 722 HA ARG 85 HA ARG 85 0.636 4.596 -17.371 723 HB2 ARG 85 2HB ARG 85 1.904 4.704 -14.600 724 HB3 ARG 85 3HB ARG 85 2.709 5.224 -16.080 725 HG2 ARG 85 2HG ARG 85 0.860 6.896 -16.416 726 HG3 ARG 85 3HG ARG 85 0.239 6.451 -14.825 727 HD2 ARG 85 2HD ARG 85 2.312 7.203 -13.770 728 HD3 ARG 85 3HD ARG 85 3.026 7.539 -15.353 729 HE ARG 85 HE ARG 85 0.565 8.971 -14.818 730 HH11 ARG 85 1HH1 ARG 85 4.072 9.058 -14.543 731 HH12 ARG 85 2HH1 ARG 85 4.145 10.790 -14.422 732 HH21 ARG 85 1HH2 ARG 85 0.672 11.253 -14.659 733 HH22 ARG 85 2HH2 ARG 85 2.214 12.033 -14.489 734 H ASP 86 H ASP 86 0.835 1.958 -15.106 735 HA ASP 86 HA ASP 86 2.895 0.602 -16.757 736 HB2 ASP 86 2HB ASP 86 2.680 0.654 -13.712 737 HB3 ASP 86 3HB ASP 86 3.682 -0.493 -14.592 738 HA PRO 87 HA PRO 87 -0.573 -2.510 -16.602 739 HB2 PRO 87 2HB PRO 87 0.185 -3.724 -18.970 740 HB3 PRO 87 3HB PRO 87 -0.901 -2.322 -18.903 741 HG2 PRO 87 2HG PRO 87 2.055 -2.370 -19.456 742 HG3 PRO 87 3HG PRO 87 0.770 -1.482 -20.308 743 HD2 PRO 87 2HD PRO 87 2.344 -0.257 -18.489 744 HD3 PRO 87 3HD PRO 87 0.619 0.164 -18.645 745 H ASN 88 H ASN 88 2.835 -2.414 -16.637 746 HA ASN 88 HA ASN 88 3.417 -5.180 -16.098 747 HB2 ASN 88 2HB ASN 88 5.079 -2.626 -15.915 748 HB3 ASN 88 3HB ASN 88 5.721 -4.212 -15.512 749 HD21 ASN 88 1HD2 ASN 88 3.492 -3.729 -18.230 750 HD22 ASN 88 2HD2 ASN 88 4.675 -4.014 -19.448 751 H ALA 89 H ALA 89 2.098 -2.665 -14.213 752 HA ALA 89 HA ALA 89 3.396 -2.947 -11.744 753 HB1 ALA 89 3HB ALA 89 0.526 -2.072 -12.253 754 HB2 ALA 89 1HB ALA 89 1.945 -1.021 -12.259 755 HB3 ALA 89 2HB ALA 89 1.434 -1.806 -10.764 756 H THR 90 H THR 90 3.633 -4.809 -10.738 757 HA THR 90 HA THR 90 1.375 -6.653 -10.285 758 HB THR 90 HB THR 90 4.245 -7.466 -10.963 759 HG1 THR 90 HG1 THR 90 2.797 -6.632 -12.719 760 HG21 THR 90 3HG2 THR 90 3.132 -9.089 -9.465 761 HG22 THR 90 1HG2 THR 90 3.352 -9.764 -11.082 762 HG23 THR 90 2HG2 THR 90 1.763 -9.184 -10.578 763 H ILE 91 H ILE 91 1.174 -7.134 -8.137 764 HA ILE 91 HA ILE 91 3.268 -6.133 -6.318 765 HB ILE 91 HB ILE 91 1.600 -5.963 -4.542 766 HG12 ILE 91 2HG1 ILE 91 0.007 -7.796 -5.371 767 HG13 ILE 91 3HG1 ILE 91 -0.757 -6.349 -4.745 768 HG21 ILE 91 1HG2 ILE 91 0.325 -4.029 -5.436 769 HG22 ILE 91 2HG2 ILE 91 0.737 -4.523 -7.081 770 HG23 ILE 91 3HG2 ILE 91 2.011 -4.019 -5.967 771 HD11 ILE 91 3HD1 ILE 91 -1.901 -7.221 -6.700 772 HD12 ILE 91 1HD1 ILE 91 -0.443 -7.034 -7.666 773 HD13 ILE 91 2HD1 ILE 91 -1.255 -5.612 -7.013 774 H THR 92 H THR 92 4.484 -7.523 -5.359 775 HA THR 92 HA THR 92 3.730 -10.371 -5.067 776 HB THR 92 HB THR 92 6.497 -9.041 -5.113 777 HG1 THR 92 HG1 THR 92 4.840 -10.039 -7.089 778 HG21 THR 92 3HG2 THR 92 7.380 -11.349 -5.299 779 HG22 THR 92 1HG2 THR 92 5.752 -11.994 -5.076 780 HG23 THR 92 2HG2 THR 92 6.541 -11.104 -3.768 781 H ARG 93 H ARG 93 2.942 -10.699 -3.015 782 HA ARG 93 HA ARG 93 3.784 -8.821 -0.871 783 HB2 ARG 93 2HB ARG 93 1.437 -8.595 -1.716 784 HB3 ARG 93 3HB ARG 93 1.111 -10.255 -1.223 785 HG2 ARG 93 2HG ARG 93 1.600 -9.616 1.132 786 HG3 ARG 93 3HG ARG 93 1.844 -7.951 0.605 787 HD2 ARG 93 2HD ARG 93 -0.384 -8.168 1.527 788 HD3 ARG 93 3HD ARG 93 -0.518 -7.912 -0.216 789 HE ARG 93 HE ARG 93 -0.514 -10.691 0.642 790 HH11 ARG 93 1HH1 ARG 93 -2.508 -7.892 -0.147 791 HH12 ARG 93 2HH1 ARG 93 -3.932 -8.839 -0.434 792 HH21 ARG 93 1HH2 ARG 93 -2.391 -11.930 0.259 793 HH22 ARG 93 2HH2 ARG 93 -3.868 -11.138 -0.204 794 H THR 94 H THR 94 4.911 -9.704 0.721 795 HA THR 94 HA THR 94 4.408 -12.487 1.613 796 HB THR 94 HB THR 94 6.963 -10.820 1.871 797 HG1 THR 94 HG1 THR 94 7.672 -12.732 0.481 798 HG21 THR 94 3HG2 THR 94 6.428 -13.714 2.651 799 HG22 THR 94 1HG2 THR 94 6.692 -12.370 3.771 800 HG23 THR 94 2HG2 THR 94 7.995 -12.905 2.712 801 H VAL 95 H VAL 95 3.432 -12.575 3.579 802 HA VAL 95 HA VAL 95 3.039 -10.219 5.176 803 HB VAL 95 HB VAL 95 1.261 -11.946 4.905 804 HG11 VAL 95 1HG1 VAL 95 1.308 -14.059 6.163 805 HG12 VAL 95 2HG1 VAL 95 2.972 -13.734 6.657 806 HG13 VAL 95 3HG1 VAL 95 2.593 -13.992 4.953 807 HG21 VAL 95 3HG2 VAL 95 0.485 -11.959 7.265 808 HG22 VAL 95 1HG2 VAL 95 1.109 -10.382 6.771 809 HG23 VAL 95 2HG2 VAL 95 2.090 -11.443 7.783 810 H ARG 96 H ARG 96 4.171 -9.586 6.917 811 HA ARG 96 HA ARG 96 6.414 -11.242 7.915 812 HB2 ARG 96 2HB ARG 96 5.945 -8.232 7.960 813 HB3 ARG 96 3HB ARG 96 7.264 -9.010 8.825 814 HG2 ARG 96 2HG ARG 96 6.856 -8.950 5.818 815 HG3 ARG 96 3HG ARG 96 8.094 -8.098 6.742 816 HD2 ARG 96 2HD ARG 96 7.857 -11.084 6.268 817 HD3 ARG 96 3HD ARG 96 9.157 -10.006 5.751 818 HE ARG 96 HE ARG 96 9.370 -9.727 8.371 819 HH11 ARG 96 1HH1 ARG 96 8.948 -12.720 6.552 820 HH12 ARG 96 2HH1 ARG 96 9.769 -13.690 7.733 821 HH21 ARG 96 1HH2 ARG 96 10.416 -11.017 9.922 822 HH22 ARG 96 2HH2 ARG 96 10.604 -12.724 9.650 823 H THR 97 H THR 97 3.318 -10.563 8.757 824 HA THR 97 HA THR 97 3.422 -10.193 11.564 825 HB THR 97 HB THR 97 1.236 -11.507 9.880 826 HG1 THR 97 HG1 THR 97 2.117 -9.221 9.443 827 HG21 THR 97 3HG2 THR 97 0.877 -11.793 12.338 828 HG22 THR 97 1HG2 THR 97 -0.328 -10.723 11.618 829 HG23 THR 97 2HG2 THR 97 1.008 -10.045 12.550 830 H GLU 98 H GLU 98 3.059 -11.786 13.232 831 HA GLU 98 HA GLU 98 3.631 -14.582 12.642 832 HB2 GLU 98 2HB GLU 98 5.615 -14.568 14.246 833 HB3 GLU 98 3HB GLU 98 5.881 -13.787 12.696 834 HG2 GLU 98 2HG GLU 98 6.948 -12.401 14.282 835 HG3 GLU 98 3HG GLU 98 5.464 -11.563 13.854 836 H VAL 99 H VAL 99 3.533 -15.947 14.588 837 HA VAL 99 HA VAL 99 2.603 -14.990 17.100 838 HB VAL 99 HB VAL 99 0.431 -14.753 15.978 839 HG11 VAL 99 1HG1 VAL 99 -0.801 -16.649 14.975 840 HG12 VAL 99 2HG1 VAL 99 0.608 -17.689 15.206 841 HG13 VAL 99 3HG1 VAL 99 0.700 -16.312 14.108 842 HG21 VAL 99 3HG2 VAL 99 0.409 -15.473 18.325 843 HG22 VAL 99 1HG2 VAL 99 0.432 -17.169 17.828 844 HG23 VAL 99 2HG2 VAL 99 -0.967 -16.155 17.456 845 H GLY 100 H GLY 100 3.172 -16.462 18.616 846 HA2 GLY 100 2HA GLY 100 3.532 -19.310 17.986 847 HA3 GLY 100 3HA GLY 100 4.984 -18.392 18.376 848 H SER 101 H SER 101 1.965 -19.645 19.582 849 HA SER 101 HA SER 101 2.858 -19.248 22.380 850 HB2 SER 101 2HB SER 101 0.420 -18.904 22.953 851 HB3 SER 101 3HB SER 101 1.098 -17.629 21.944 852 HG SER 101 HG SER 101 -0.392 -19.831 20.929 853 H SER 102 H SER 102 3.441 -21.239 23.000 854 HA SER 102 HA SER 102 1.590 -23.428 23.147 855 HB2 SER 102 2HB SER 102 2.366 -23.592 20.729 856 HB3 SER 102 3HB SER 102 4.019 -23.792 21.311 857 HG SER 102 HG SER 102 1.824 -25.536 21.509 858 H TRP 103 H TRP 103 2.103 -24.377 25.089 859 HA TRP 103 HA TRP 103 4.686 -23.754 26.339 860 HB2 TRP 103 2HB TRP 103 3.672 -24.463 28.462 861 HB3 TRP 103 3HB TRP 103 2.669 -23.268 27.659 862 HD1 TRP 103 HD1 TRP 103 0.593 -24.693 26.051 863 HE1 TRP 103 HE1 TRP 103 -1.057 -26.386 27.046 864 HE3 TRP 103 HE3 TRP 103 3.220 -26.099 30.218 865 HZ2 TRP 103 HZ2 TRP 103 -1.255 -28.077 29.279 866 HZ3 TRP 103 HZ3 TRP 103 2.225 -27.758 31.739 867 HH2 TRP 103 HH2 TRP 103 0.027 -28.733 31.276 868 H SER 104 H SER 104 5.938 -25.334 27.460 869 HA SER 104 HA SER 104 6.185 -27.890 26.137 870 HB2 SER 104 2HB SER 104 8.183 -26.633 26.847 871 HB3 SER 104 3HB SER 104 7.671 -26.707 28.532 872 HG SER 104 HG SER 104 8.946 -28.416 28.444 873 H LEU 105 H LEU 105 5.482 -29.852 26.879 874 HA LEU 105 HA LEU 105 4.151 -29.989 29.528 875 HB2 LEU 105 2HB LEU 105 3.503 -31.527 26.976 876 HB3 LEU 105 3HB LEU 105 2.815 -31.895 28.547 877 HG LEU 105 HG LEU 105 1.973 -29.385 28.489 878 HD11 LEU 105 1HD1 LEU 105 3.174 -28.671 26.494 879 HD12 LEU 105 2HD1 LEU 105 1.432 -28.527 26.277 880 HD13 LEU 105 3HD1 LEU 105 2.307 -29.863 25.523 881 HD21 LEU 105 3HD2 LEU 105 0.516 -31.362 28.496 882 HD22 LEU 105 1HD2 LEU 105 0.654 -31.474 26.740 883 HD23 LEU 105 2HD2 LEU 105 -0.125 -30.070 27.484 884 H GLU 106 H GLU 106 7.004 -30.750 28.210 885 HA GLU 106 HA GLU 106 7.329 -33.529 28.730 886 HB2 GLU 106 2HB GLU 106 8.792 -32.309 27.173 887 HB3 GLU 106 3HB GLU 106 9.437 -31.337 28.491 888 HG2 GLU 106 2HG GLU 106 11.018 -33.100 27.832 889 HG3 GLU 106 3HG GLU 106 10.461 -33.335 29.486 890 H HIS 107 H HIS 107 8.064 -34.625 30.502 891 HA HIS 107 HA HIS 107 8.894 -33.370 32.959 892 HB2 HIS 107 2HB HIS 107 6.423 -32.888 32.915 893 HB3 HIS 107 3HB HIS 107 6.096 -34.611 32.818 894 HD1 HIS 107 HD1 HIS 107 7.300 -31.955 35.196 895 HD2 HIS 107 HD2 HIS 107 6.206 -35.965 35.269 896 HE1 HIS 107 HE1 HIS 107 7.052 -32.550 37.621 897 HE2 HIS 107 HE2 HIS 107 6.223 -34.914 37.624 898 H HIS 108 H HIS 108 9.987 -34.844 34.192 899 HA HIS 108 HA HIS 108 9.376 -37.722 33.980 900 HB2 HIS 108 2HB HIS 108 12.188 -36.533 33.714 901 HB3 HIS 108 3HB HIS 108 11.877 -38.235 34.050 902 HD1 HIS 108 HD1 HIS 108 10.684 -39.607 32.084 903 HD2 HIS 108 HD2 HIS 108 12.077 -35.830 31.042 904 HE1 HIS 108 HE1 HIS 108 10.704 -39.556 29.574 905 HE2 HIS 108 HE2 HIS 108 11.288 -37.189 28.995 906 H HIS 109 H HIS 109 8.428 -37.741 36.003 907 HA HIS 109 HA HIS 109 10.104 -37.007 38.339 908 HB2 HIS 109 2HB HIS 109 7.844 -35.966 38.287 909 HB3 HIS 109 3HB HIS 109 7.101 -37.561 38.224 910 HD1 HIS 109 HD1 HIS 109 7.162 -38.981 40.434 911 HD2 HIS 109 HD2 HIS 109 8.657 -35.124 40.862 912 HE1 HIS 109 HE1 HIS 109 7.315 -38.580 42.908 913 HE2 HIS 109 HE2 HIS 109 8.067 -36.194 43.134 914 H HIS 110 H HIS 110 11.407 -38.885 37.923 915 HA HIS 110 HA HIS 110 10.376 -41.553 38.153 916 HB2 HIS 110 2HB HIS 110 12.415 -41.261 36.907 917 HB3 HIS 110 3HB HIS 110 13.194 -40.391 38.223 918 HD1 HIS 110 HD1 HIS 110 11.941 -43.904 37.433 919 HD2 HIS 110 HD2 HIS 110 14.746 -41.982 39.824 920 HE1 HIS 110 HE1 HIS 110 13.257 -45.735 38.541 921 HE2 HIS 110 HE2 HIS 110 14.795 -44.546 40.129 922 H HIS 111 H HIS 111 9.353 -42.025 40.025 923 HA HIS 111 HA HIS 111 11.068 -42.201 42.418 924 HB2 HIS 111 2HB HIS 111 9.474 -40.386 42.913 925 HB3 HIS 111 3HB HIS 111 8.118 -41.422 42.476 926 HD1 HIS 111 HD1 HIS 111 10.905 -41.248 45.077 927 HD2 HIS 111 HD2 HIS 111 7.124 -42.925 44.579 928 HE1 HIS 111 HE1 HIS 111 10.342 -42.330 47.277 929 HE2 HIS 111 HE2 HIS 111 8.085 -43.382 46.936 930 H HIS 112 H HIS 112 11.304 -44.230 42.954 931 HA HIS 112 HA HIS 112 9.138 -46.154 42.916 932 HB2 HIS 112 2HB HIS 112 9.975 -46.393 40.605 933 HB3 HIS 112 3HB HIS 112 11.629 -46.567 41.183 934 HD1 HIS 112 HD1 HIS 112 12.372 -48.917 41.115 935 HD2 HIS 112 HD2 HIS 112 8.296 -48.646 41.900 936 HE1 HIS 112 HE1 HIS 112 11.559 -51.284 41.324 937 HE2 HIS 112 HE2 HIS 112 9.157 -51.075 42.015 Start of MODEL 8 1 H1 MET 1 1H MET 1 -5.750 -3.529 21.018 2 H2 MET 1 2H MET 1 -4.114 -3.722 21.399 3 H3 MET 1 3H MET 1 -4.973 -4.993 20.688 4 HA MET 1 HA MET 1 -5.299 -3.732 18.707 5 HB2 MET 1 2HB MET 1 -5.314 -1.474 19.604 6 HB3 MET 1 3HB MET 1 -3.656 -1.619 20.165 7 HG2 MET 1 2HG MET 1 -2.828 -1.612 17.887 8 HG3 MET 1 3HG MET 1 -4.467 -1.677 17.247 9 HE1 MET 1 3HE MET 1 -5.841 1.888 17.926 10 HE2 MET 1 1HE MET 1 -6.152 0.393 18.807 11 HE3 MET 1 2HE MET 1 -6.075 0.380 17.043 12 H LEU 2 H LEU 2 -4.077 -4.595 17.140 13 HA LEU 2 HA LEU 2 -1.316 -5.474 17.756 14 HB2 LEU 2 2HB LEU 2 -1.662 -7.144 15.892 15 HB3 LEU 2 3HB LEU 2 -2.640 -7.383 17.324 16 HG LEU 2 HG LEU 2 -4.590 -6.295 16.048 17 HD11 LEU 2 1HD1 LEU 2 -3.390 -5.189 14.229 18 HD12 LEU 2 2HD1 LEU 2 -4.559 -6.344 13.596 19 HD13 LEU 2 3HD1 LEU 2 -2.839 -6.750 13.614 20 HD21 LEU 2 3HD2 LEU 2 -4.416 -8.701 16.452 21 HD22 LEU 2 1HD2 LEU 2 -3.507 -8.893 14.950 22 HD23 LEU 2 2HD2 LEU 2 -5.186 -8.346 14.911 23 H THR 3 H THR 3 0.249 -5.406 16.037 24 HA THR 3 HA THR 3 -0.336 -3.480 13.865 25 HB THR 3 HB THR 3 2.386 -3.985 15.154 26 HG1 THR 3 HG1 THR 3 0.651 -2.780 16.408 27 HG21 THR 3 3HG2 THR 3 1.472 -1.871 13.164 28 HG22 THR 3 1HG2 THR 3 2.533 -3.239 12.796 29 HG23 THR 3 2HG2 THR 3 3.074 -1.969 13.895 30 H VAL 4 H VAL 4 -0.517 -4.542 11.996 31 HA VAL 4 HA VAL 4 1.011 -7.017 11.482 32 HB VAL 4 HB VAL 4 -1.422 -7.167 11.074 33 HG11 VAL 4 1HG1 VAL 4 -2.534 -5.927 9.261 34 HG12 VAL 4 2HG1 VAL 4 -1.060 -4.994 8.990 35 HG13 VAL 4 3HG1 VAL 4 -1.933 -4.841 10.517 36 HG21 VAL 4 3HG2 VAL 4 0.046 -8.570 9.693 37 HG22 VAL 4 1HG2 VAL 4 0.163 -7.291 8.482 38 HG23 VAL 4 2HG2 VAL 4 -1.386 -8.090 8.777 39 H GLU 5 H GLU 5 2.499 -7.098 9.854 40 HA GLU 5 HA GLU 5 3.107 -4.655 8.306 41 HB2 GLU 5 2HB GLU 5 5.154 -6.503 9.616 42 HB3 GLU 5 3HB GLU 5 5.518 -5.098 8.616 43 HG2 GLU 5 2HG GLU 5 4.483 -3.625 10.325 44 HG3 GLU 5 3HG GLU 5 4.147 -5.037 11.328 45 H VAL 6 H VAL 6 3.049 -5.073 6.207 46 HA VAL 6 HA VAL 6 3.552 -7.815 5.224 47 HB VAL 6 HB VAL 6 1.164 -7.454 5.112 48 HG11 VAL 6 1HG1 VAL 6 0.084 -5.631 3.884 49 HG12 VAL 6 2HG1 VAL 6 1.658 -4.911 3.536 50 HG13 VAL 6 3HG1 VAL 6 1.080 -5.001 5.201 51 HG21 VAL 6 3HG2 VAL 6 0.729 -7.768 2.720 52 HG22 VAL 6 1HG2 VAL 6 2.175 -8.648 3.214 53 HG23 VAL 6 2HG2 VAL 6 2.327 -7.133 2.326 54 H GLU 7 H GLU 7 5.013 -7.999 3.702 55 HA GLU 7 HA GLU 7 6.350 -5.683 2.527 56 HB2 GLU 7 2HB GLU 7 7.687 -7.489 3.560 57 HB3 GLU 7 3HB GLU 7 6.942 -8.680 2.499 58 HG2 GLU 7 2HG GLU 7 7.979 -7.426 0.542 59 HG3 GLU 7 3HG GLU 7 8.872 -6.470 1.727 60 H VAL 8 H VAL 8 5.236 -4.949 0.787 61 HA VAL 8 HA VAL 8 4.000 -6.768 -1.161 62 HB VAL 8 HB VAL 8 3.724 -3.737 -0.847 63 HG11 VAL 8 1HG1 VAL 8 1.777 -3.942 -2.347 64 HG12 VAL 8 2HG1 VAL 8 2.101 -5.667 -2.534 65 HG13 VAL 8 3HG1 VAL 8 3.262 -4.484 -3.139 66 HG21 VAL 8 3HG2 VAL 8 1.798 -5.911 0.071 67 HG22 VAL 8 1HG2 VAL 8 1.504 -4.170 0.158 68 HG23 VAL 8 2HG2 VAL 8 2.789 -4.899 1.125 69 H LYS 9 H LYS 9 5.475 -7.345 -2.683 70 HA LYS 9 HA LYS 9 7.715 -5.632 -3.424 71 HB2 LYS 9 2HB LYS 9 7.871 -8.144 -2.888 72 HB3 LYS 9 3HB LYS 9 7.038 -8.440 -4.405 73 HG2 LYS 9 2HG LYS 9 9.356 -8.777 -4.825 74 HG3 LYS 9 3HG LYS 9 8.939 -7.237 -5.577 75 HD2 LYS 9 2HD LYS 9 11.080 -7.000 -4.451 76 HD3 LYS 9 3HD LYS 9 9.886 -6.048 -3.567 77 HE2 LYS 9 2HE LYS 9 9.744 -7.766 -1.834 78 HE3 LYS 9 3HE LYS 9 10.786 -8.844 -2.766 79 HZ1 LYS 9 3HZ LYS 9 12.114 -7.835 -1.114 80 HZ2 LYS 9 1HZ LYS 9 11.555 -6.282 -1.478 81 HZ3 LYS 9 2HZ LYS 9 12.539 -7.105 -2.577 82 H ILE 10 H ILE 10 7.187 -4.112 -4.931 83 HA ILE 10 HA ILE 10 5.055 -4.610 -6.913 84 HB ILE 10 HB ILE 10 6.429 -1.992 -6.138 85 HG12 ILE 10 2HG1 ILE 10 3.752 -3.091 -5.160 86 HG13 ILE 10 3HG1 ILE 10 5.221 -2.964 -4.202 87 HG21 ILE 10 1HG2 ILE 10 3.876 -2.436 -7.730 88 HG22 ILE 10 2HG2 ILE 10 5.430 -1.919 -8.389 89 HG23 ILE 10 3HG2 ILE 10 4.554 -0.869 -7.275 90 HD11 ILE 10 3HD1 ILE 10 3.696 -1.205 -3.628 91 HD12 ILE 10 1HD1 ILE 10 3.609 -0.662 -5.304 92 HD13 ILE 10 2HD1 ILE 10 5.121 -0.517 -4.400 93 H THR 11 H THR 11 6.001 -5.606 -8.671 94 HA THR 11 HA THR 11 8.609 -4.696 -9.684 95 HB THR 11 HB THR 11 8.352 -7.101 -9.597 96 HG1 THR 11 HG1 THR 11 8.065 -6.675 -12.356 97 HG21 THR 11 3HG2 THR 11 6.708 -8.376 -10.908 98 HG22 THR 11 1HG2 THR 11 5.948 -6.876 -11.441 99 HG23 THR 11 2HG2 THR 11 5.899 -7.332 -9.736 100 H ALA 12 H ALA 12 8.658 -3.021 -11.101 101 HA ALA 12 HA ALA 12 6.204 -2.330 -12.634 102 HB1 ALA 12 3HB ALA 12 6.488 0.016 -11.986 103 HB2 ALA 12 1HB ALA 12 7.901 -0.403 -11.010 104 HB3 ALA 12 2HB ALA 12 6.304 -1.001 -10.557 105 H ASP 13 H ASP 13 6.689 -0.403 -14.131 106 HA ASP 13 HA ASP 13 8.834 -1.125 -15.926 107 HB2 ASP 13 2HB ASP 13 6.654 1.007 -15.993 108 HB3 ASP 13 3HB ASP 13 7.878 0.882 -17.258 109 H ASP 14 H ASP 14 8.145 1.559 -13.710 110 HA ASP 14 HA ASP 14 11.055 2.101 -13.621 111 HB2 ASP 14 2HB ASP 14 8.820 4.133 -13.897 112 HB3 ASP 14 3HB ASP 14 10.271 4.576 -13.008 113 H GLU 15 H GLU 15 11.855 1.906 -11.630 114 HA GLU 15 HA GLU 15 10.434 1.386 -9.289 115 HB2 GLU 15 2HB GLU 15 12.603 1.818 -8.099 116 HB3 GLU 15 3HB GLU 15 12.776 0.744 -9.484 117 HG2 GLU 15 2HG GLU 15 13.649 2.601 -10.840 118 HG3 GLU 15 3HG GLU 15 13.448 3.705 -9.482 119 H ASN 16 H ASN 16 11.541 4.459 -10.651 120 HA ASN 16 HA ASN 16 11.041 6.001 -8.272 121 HB2 ASN 16 2HB ASN 16 12.776 6.665 -9.911 122 HB3 ASN 16 3HB ASN 16 11.530 6.955 -11.116 123 HD21 ASN 16 1HD2 ASN 16 11.218 7.846 -7.679 124 HD22 ASN 16 2HD2 ASN 16 11.233 9.549 -7.962 125 H LYS 17 H LYS 17 9.293 5.410 -11.342 126 HA LYS 17 HA LYS 17 7.145 7.193 -10.820 127 HB2 LYS 17 2HB LYS 17 7.249 4.699 -12.568 128 HB3 LYS 17 3HB LYS 17 5.842 5.752 -12.478 129 HG2 LYS 17 2HG LYS 17 8.600 6.519 -13.489 130 HG3 LYS 17 3HG LYS 17 7.163 6.241 -14.473 131 HD2 LYS 17 2HD LYS 17 7.495 8.468 -12.421 132 HD3 LYS 17 3HD LYS 17 7.651 8.652 -14.167 133 HE2 LYS 17 2HE LYS 17 5.286 8.076 -14.467 134 HE3 LYS 17 3HE LYS 17 5.113 7.798 -12.730 135 HZ1 LYS 17 3HZ LYS 17 4.310 9.986 -13.365 136 HZ2 LYS 17 1HZ LYS 17 5.826 10.392 -13.999 137 HZ3 LYS 17 2HZ LYS 17 5.648 10.118 -12.340 138 H ALA 18 H ALA 18 7.482 3.665 -10.353 139 HA ALA 18 HA ALA 18 5.070 3.072 -9.152 140 HB1 ALA 18 3HB ALA 18 7.756 1.809 -8.536 141 HB2 ALA 18 1HB ALA 18 6.687 1.374 -9.870 142 HB3 ALA 18 2HB ALA 18 6.173 1.096 -8.207 143 H GLU 19 H GLU 19 8.046 4.226 -7.639 144 HA GLU 19 HA GLU 19 7.297 4.140 -4.944 145 HB2 GLU 19 2HB GLU 19 9.607 4.411 -5.610 146 HB3 GLU 19 3HB GLU 19 9.246 5.914 -6.452 147 HG2 GLU 19 2HG GLU 19 8.708 6.976 -4.266 148 HG3 GLU 19 3HG GLU 19 9.151 5.475 -3.451 149 H GLU 20 H GLU 20 7.281 6.990 -7.148 150 HA GLU 20 HA GLU 20 6.241 8.785 -5.228 151 HB2 GLU 20 2HB GLU 20 6.277 9.029 -8.265 152 HB3 GLU 20 3HB GLU 20 5.971 10.354 -7.147 153 HG2 GLU 20 2HG GLU 20 8.556 8.769 -7.301 154 HG3 GLU 20 3HG GLU 20 8.289 10.341 -8.046 155 H ILE 21 H ILE 21 4.647 6.847 -7.730 156 HA ILE 21 HA ILE 21 2.042 7.945 -7.576 157 HB ILE 21 HB ILE 21 2.976 5.155 -8.403 158 HG12 ILE 21 2HG1 ILE 21 2.035 7.436 -10.203 159 HG13 ILE 21 3HG1 ILE 21 3.728 7.136 -9.828 160 HG21 ILE 21 1HG2 ILE 21 0.767 4.818 -9.475 161 HG22 ILE 21 2HG2 ILE 21 0.202 6.341 -8.788 162 HG23 ILE 21 3HG2 ILE 21 0.618 4.996 -7.724 163 HD11 ILE 21 3HD1 ILE 21 3.160 6.233 -11.993 164 HD12 ILE 21 1HD1 ILE 21 1.872 5.253 -11.291 165 HD13 ILE 21 2HD1 ILE 21 3.559 4.923 -10.885 166 H VAL 22 H VAL 22 3.457 5.002 -6.084 167 HA VAL 22 HA VAL 22 1.173 4.236 -4.603 168 HB VAL 22 HB VAL 22 4.113 3.476 -4.424 169 HG11 VAL 22 1HG1 VAL 22 3.251 3.182 -2.142 170 HG12 VAL 22 2HG1 VAL 22 3.535 1.616 -2.903 171 HG13 VAL 22 3HG1 VAL 22 1.890 2.244 -2.761 172 HG21 VAL 22 3HG2 VAL 22 3.331 1.346 -5.385 173 HG22 VAL 22 1HG2 VAL 22 2.838 2.705 -6.398 174 HG23 VAL 22 2HG2 VAL 22 1.664 1.923 -5.336 175 H LYS 23 H LYS 23 3.943 6.284 -3.703 176 HA LYS 23 HA LYS 23 3.400 6.690 -0.979 177 HB2 LYS 23 2HB LYS 23 4.686 8.480 -3.071 178 HB3 LYS 23 3HB LYS 23 4.532 8.993 -1.393 179 HG2 LYS 23 2HG LYS 23 5.995 7.275 -0.618 180 HG3 LYS 23 3HG LYS 23 5.937 6.422 -2.165 181 HD2 LYS 23 2HD LYS 23 8.073 7.607 -1.918 182 HD3 LYS 23 3HD LYS 23 7.142 8.280 -3.253 183 HE2 LYS 23 2HE LYS 23 6.417 10.140 -1.737 184 HE3 LYS 23 3HE LYS 23 7.469 9.478 -0.483 185 HZ1 LYS 23 3HZ LYS 23 8.396 10.370 -3.161 186 HZ2 LYS 23 1HZ LYS 23 9.367 9.856 -1.879 187 HZ3 LYS 23 2HZ LYS 23 8.495 11.298 -1.752 188 H ARG 24 H ARG 24 2.371 8.609 -3.811 189 HA ARG 24 HA ARG 24 0.714 10.467 -2.534 190 HB2 ARG 24 2HB ARG 24 1.497 10.716 -4.869 191 HB3 ARG 24 3HB ARG 24 0.519 9.335 -5.360 192 HG2 ARG 24 2HG ARG 24 -1.533 10.621 -4.695 193 HG3 ARG 24 3HG ARG 24 -0.503 12.013 -4.360 194 HD2 ARG 24 2HD ARG 24 0.155 12.129 -6.708 195 HD3 ARG 24 3HD ARG 24 -0.745 10.649 -7.062 196 HE ARG 24 HE ARG 24 -2.098 13.089 -6.070 197 HH11 ARG 24 1HH1 ARG 24 -1.862 10.523 -8.483 198 HH12 ARG 24 2HH1 ARG 24 -3.323 10.986 -9.289 199 HH21 ARG 24 1HH2 ARG 24 -4.007 13.680 -7.127 200 HH22 ARG 24 2HH2 ARG 24 -4.553 12.795 -8.511 201 H VAL 25 H VAL 25 0.011 7.234 -3.796 202 HA VAL 25 HA VAL 25 -2.797 7.339 -3.724 203 HB VAL 25 HB VAL 25 -0.890 4.957 -3.666 204 HG11 VAL 25 1HG1 VAL 25 -3.915 4.913 -3.966 205 HG12 VAL 25 2HG1 VAL 25 -2.986 4.226 -2.631 206 HG13 VAL 25 3HG1 VAL 25 -2.850 3.534 -4.247 207 HG21 VAL 25 3HG2 VAL 25 -1.527 4.674 -6.025 208 HG22 VAL 25 1HG2 VAL 25 -0.883 6.294 -5.754 209 HG23 VAL 25 2HG2 VAL 25 -2.621 6.056 -5.909 210 H ILE 26 H ILE 26 -0.484 5.848 -1.396 211 HA ILE 26 HA ILE 26 -2.590 4.973 0.363 212 HB ILE 26 HB ILE 26 0.366 5.105 1.092 213 HG12 ILE 26 2HG1 ILE 26 -1.006 2.745 -0.278 214 HG13 ILE 26 3HG1 ILE 26 -0.072 3.947 -1.161 215 HG21 ILE 26 1HG2 ILE 26 -1.186 4.575 2.956 216 HG22 ILE 26 2HG2 ILE 26 -0.181 3.182 2.559 217 HG23 ILE 26 3HG2 ILE 26 -1.862 3.236 2.024 218 HD11 ILE 26 3HD1 ILE 26 1.201 1.923 -0.690 219 HD12 ILE 26 1HD1 ILE 26 1.014 2.205 1.038 220 HD13 ILE 26 2HD1 ILE 26 1.922 3.350 0.051 221 H ASP 27 H ASP 27 -0.580 7.825 0.131 222 HA ASP 27 HA ASP 27 -1.074 9.043 2.620 223 HB2 ASP 27 2HB ASP 27 0.515 9.928 0.941 224 HB3 ASP 27 3HB ASP 27 -0.813 10.295 -0.152 225 H GLU 28 H GLU 28 -2.979 8.922 -0.356 226 HA GLU 28 HA GLU 28 -5.212 10.448 0.713 227 HB2 GLU 28 2HB GLU 28 -4.809 9.071 -1.976 228 HB3 GLU 28 3HB GLU 28 -6.184 10.097 -1.567 229 HG2 GLU 28 2HG GLU 28 -4.729 12.039 -1.322 230 HG3 GLU 28 3HG GLU 28 -3.295 11.044 -1.572 231 H VAL 29 H VAL 29 -4.359 7.039 0.377 232 HA VAL 29 HA VAL 29 -6.999 5.970 0.724 233 HB VAL 29 HB VAL 29 -4.278 4.691 1.323 234 HG11 VAL 29 1HG1 VAL 29 -7.005 3.337 1.277 235 HG12 VAL 29 2HG1 VAL 29 -6.007 3.603 2.707 236 HG13 VAL 29 3HG1 VAL 29 -5.451 2.510 1.439 237 HG21 VAL 29 3HG2 VAL 29 -4.641 3.399 -0.749 238 HG22 VAL 29 1HG2 VAL 29 -4.640 5.134 -1.071 239 HG23 VAL 29 2HG2 VAL 29 -6.165 4.252 -1.014 240 H GLU 30 H GLU 30 -4.326 6.939 2.851 241 HA GLU 30 HA GLU 30 -5.332 5.817 5.234 242 HB2 GLU 30 2HB GLU 30 -2.952 6.408 5.002 243 HB3 GLU 30 3HB GLU 30 -3.360 8.124 4.948 244 HG2 GLU 30 2HG GLU 30 -4.232 8.026 7.243 245 HG3 GLU 30 3HG GLU 30 -3.962 6.286 7.297 246 H ARG 31 H ARG 31 -5.824 9.019 3.742 247 HA ARG 31 HA ARG 31 -6.990 10.230 6.048 248 HB2 ARG 31 2HB ARG 31 -7.768 12.022 4.572 249 HB3 ARG 31 3HB ARG 31 -6.095 11.611 4.221 250 HG2 ARG 31 2HG ARG 31 -6.827 10.326 2.250 251 HG3 ARG 31 3HG ARG 31 -8.504 10.757 2.596 252 HD2 ARG 31 2HD ARG 31 -6.270 12.703 1.921 253 HD3 ARG 31 3HD ARG 31 -7.546 12.169 0.824 254 HE ARG 31 HE ARG 31 -8.190 13.621 3.322 255 HH11 ARG 31 1HH1 ARG 31 -8.367 13.439 -0.195 256 HH12 ARG 31 2HH1 ARG 31 -9.474 14.772 -0.320 257 HH21 ARG 31 1HH2 ARG 31 -9.617 15.380 3.122 258 HH22 ARG 31 2HH2 ARG 31 -10.175 15.863 1.552 259 H GLU 32 H GLU 32 -8.252 8.102 3.582 260 HA GLU 32 HA GLU 32 -11.035 8.429 4.360 261 HB2 GLU 32 2HB GLU 32 -9.766 6.299 2.576 262 HB3 GLU 32 3HB GLU 32 -11.488 6.633 2.741 263 HG2 GLU 32 2HG GLU 32 -9.382 8.405 1.473 264 HG3 GLU 32 3HG GLU 32 -10.718 7.586 0.666 265 H VAL 33 H VAL 33 -8.366 6.192 4.931 266 HA VAL 33 HA VAL 33 -9.759 4.201 6.390 267 HB VAL 33 HB VAL 33 -6.820 4.963 6.185 268 HG11 VAL 33 1HG1 VAL 33 -7.058 4.047 8.450 269 HG12 VAL 33 2HG1 VAL 33 -6.197 2.908 7.415 270 HG13 VAL 33 3HG1 VAL 33 -7.895 2.630 7.809 271 HG21 VAL 33 3HG2 VAL 33 -6.628 2.815 4.966 272 HG22 VAL 33 1HG2 VAL 33 -7.816 3.881 4.212 273 HG23 VAL 33 2HG2 VAL 33 -8.353 2.524 5.205 274 H GLN 34 H GLN 34 -8.389 7.313 7.338 275 HA GLN 34 HA GLN 34 -8.527 6.890 10.171 276 HB2 GLN 34 2HB GLN 34 -8.359 9.462 8.546 277 HB3 GLN 34 3HB GLN 34 -8.250 9.397 10.303 278 HG2 GLN 34 2HG GLN 34 -6.320 8.073 8.375 279 HG3 GLN 34 3HG GLN 34 -6.033 9.586 9.228 280 HE21 GLN 34 1HE2 GLN 34 -4.514 7.075 9.302 281 HE22 GLN 34 2HE2 GLN 34 -4.478 6.582 10.954 282 H LYS 35 H LYS 35 -10.797 7.824 7.709 283 HA LYS 35 HA LYS 35 -12.777 8.980 9.481 284 HB2 LYS 35 2HB LYS 35 -13.003 8.024 6.587 285 HB3 LYS 35 3HB LYS 35 -14.236 8.939 7.452 286 HG2 LYS 35 2HG LYS 35 -12.805 10.890 7.562 287 HG3 LYS 35 3HG LYS 35 -11.441 9.986 6.900 288 HD2 LYS 35 2HD LYS 35 -12.725 9.677 4.769 289 HD3 LYS 35 3HD LYS 35 -14.028 10.660 5.436 290 HE2 LYS 35 2HE LYS 35 -12.515 12.595 5.554 291 HE3 LYS 35 3HE LYS 35 -11.187 11.608 4.938 292 HZ1 LYS 35 3HZ LYS 35 -13.702 12.216 3.471 293 HZ2 LYS 35 1HZ LYS 35 -12.410 11.292 2.883 294 HZ3 LYS 35 2HZ LYS 35 -12.198 12.940 3.190 295 H GLN 36 H GLN 36 -12.358 5.969 7.636 296 HA GLN 36 HA GLN 36 -14.697 4.665 8.634 297 HB2 GLN 36 2HB GLN 36 -12.268 3.575 7.146 298 HB3 GLN 36 3HB GLN 36 -13.729 2.649 7.470 299 HG2 GLN 36 2HG GLN 36 -13.528 5.133 5.738 300 HG3 GLN 36 3HG GLN 36 -13.730 3.477 5.174 301 HE21 GLN 36 1HE2 GLN 36 -15.320 6.237 6.560 302 HE22 GLN 36 2HE2 GLN 36 -16.933 5.630 6.438 303 H TYR 37 H TYR 37 -11.319 4.738 9.625 304 HA TYR 37 HA TYR 37 -11.897 2.999 11.957 305 HB2 TYR 37 2HB TYR 37 -9.281 2.953 10.384 306 HB3 TYR 37 3HB TYR 37 -9.741 1.883 11.705 307 HD1 TYR 37 HD1 TYR 37 -11.702 0.269 11.316 308 HD2 TYR 37 HD2 TYR 37 -9.811 2.354 8.109 309 HE1 TYR 37 HE1 TYR 37 -12.682 -1.306 9.715 310 HE2 TYR 37 HE2 TYR 37 -10.793 0.769 6.503 311 HH TYR 37 HH TYR 37 -13.305 -1.353 7.349 312 HA PRO 38 HA PRO 38 -10.493 7.210 13.372 313 HB2 PRO 38 2HB PRO 38 -11.719 6.166 15.923 314 HB3 PRO 38 3HB PRO 38 -11.973 7.723 15.102 315 HG2 PRO 38 2HG PRO 38 -13.858 5.875 14.971 316 HG3 PRO 38 3HG PRO 38 -13.438 6.811 13.516 317 HD2 PRO 38 2HD PRO 38 -12.591 4.005 14.252 318 HD3 PRO 38 3HD PRO 38 -13.195 4.628 12.697 319 H ASN 39 H ASN 39 -10.019 4.138 15.103 320 HA ASN 39 HA ASN 39 -7.371 5.097 16.054 321 HB2 ASN 39 2HB ASN 39 -9.138 2.884 17.190 322 HB3 ASN 39 3HB ASN 39 -7.496 3.207 17.728 323 HD21 ASN 39 1HD2 ASN 39 -7.652 6.080 17.709 324 HD22 ASN 39 2HD2 ASN 39 -8.708 6.532 18.996 325 H ALA 40 H ALA 40 -6.856 4.679 13.723 326 HA ALA 40 HA ALA 40 -5.375 2.158 13.646 327 HB1 ALA 40 3HB ALA 40 -6.022 1.672 11.313 328 HB2 ALA 40 1HB ALA 40 -7.159 3.024 11.335 329 HB3 ALA 40 2HB ALA 40 -7.426 1.628 12.380 330 H THR 41 H THR 41 -3.527 2.261 12.299 331 HA THR 41 HA THR 41 -2.755 4.889 11.179 332 HB THR 41 HB THR 41 -0.986 3.225 13.041 333 HG1 THR 41 HG1 THR 41 -2.768 4.464 14.035 334 HG21 THR 41 3HG2 THR 41 -0.477 5.972 11.835 335 HG22 THR 41 1HG2 THR 41 0.313 4.476 11.320 336 HG23 THR 41 2HG2 THR 41 0.592 5.112 12.941 337 H ILE 42 H ILE 42 -1.739 4.668 9.225 338 HA ILE 42 HA ILE 42 -0.588 2.038 8.453 339 HB ILE 42 HB ILE 42 -1.239 4.305 6.509 340 HG12 ILE 42 2HG1 ILE 42 -3.106 1.974 7.155 341 HG13 ILE 42 3HG1 ILE 42 -3.350 3.623 7.718 342 HG21 ILE 42 1HG2 ILE 42 0.327 2.555 5.729 343 HG22 ILE 42 2HG2 ILE 42 -1.181 2.513 4.817 344 HG23 ILE 42 3HG2 ILE 42 -0.881 1.312 6.075 345 HD11 ILE 42 3HD1 ILE 42 -4.761 3.164 5.825 346 HD12 ILE 42 1HD1 ILE 42 -3.370 2.708 4.839 347 HD13 ILE 42 2HD1 ILE 42 -3.559 4.375 5.386 348 H THR 43 H THR 43 1.607 2.071 8.659 349 HA THR 43 HA THR 43 3.102 4.595 8.256 350 HB THR 43 HB THR 43 3.968 2.108 9.806 351 HG1 THR 43 HG1 THR 43 2.357 4.139 10.521 352 HG21 THR 43 3HG2 THR 43 5.887 3.393 8.905 353 HG22 THR 43 1HG2 THR 43 5.790 3.536 10.662 354 HG23 THR 43 2HG2 THR 43 5.247 4.865 9.636 355 H ARG 44 H ARG 44 4.080 4.674 6.344 356 HA ARG 44 HA ARG 44 4.513 2.195 4.798 357 HB2 ARG 44 2HB ARG 44 4.299 5.078 3.813 358 HB3 ARG 44 3HB ARG 44 4.538 3.667 2.792 359 HG2 ARG 44 2HG ARG 44 2.259 4.140 2.561 360 HG3 ARG 44 3HG ARG 44 2.288 2.814 3.723 361 HD2 ARG 44 2HD ARG 44 0.686 4.455 4.476 362 HD3 ARG 44 3HD ARG 44 2.071 4.513 5.568 363 HE ARG 44 HE ARG 44 2.450 6.419 3.540 364 HH11 ARG 44 1HH1 ARG 44 0.354 5.932 6.324 365 HH12 ARG 44 2HH1 ARG 44 0.088 7.622 6.562 366 HH21 ARG 44 1HH2 ARG 44 2.060 8.633 3.870 367 HH22 ARG 44 2HH2 ARG 44 1.050 9.152 5.177 368 H THR 45 H THR 45 6.473 1.682 3.960 369 HA THR 45 HA THR 45 8.662 3.650 3.906 370 HB THR 45 HB THR 45 9.021 0.809 4.997 371 HG1 THR 45 HG1 THR 45 7.968 2.130 6.536 372 HG21 THR 45 3HG2 THR 45 11.302 1.564 5.580 373 HG22 THR 45 1HG2 THR 45 10.980 3.132 4.847 374 HG23 THR 45 2HG2 THR 45 11.033 1.682 3.839 375 H LEU 46 H LEU 46 8.981 3.763 1.727 376 HA LEU 46 HA LEU 46 8.792 1.326 0.074 377 HB2 LEU 46 2HB LEU 46 8.843 4.262 -0.730 378 HB3 LEU 46 3HB LEU 46 8.907 2.935 -1.876 379 HG LEU 46 HG LEU 46 6.638 2.170 -0.858 380 HD11 LEU 46 1HD1 LEU 46 6.631 3.576 1.141 381 HD12 LEU 46 2HD1 LEU 46 5.223 3.897 0.132 382 HD13 LEU 46 3HD1 LEU 46 6.580 5.029 0.138 383 HD21 LEU 46 3HD2 LEU 46 6.768 4.710 -2.495 384 HD22 LEU 46 1HD2 LEU 46 5.360 3.653 -2.341 385 HD23 LEU 46 2HD2 LEU 46 6.829 3.054 -3.106 386 H THR 47 H THR 47 10.566 0.334 -0.533 387 HA THR 47 HA THR 47 13.207 1.664 -0.497 388 HB THR 47 HB THR 47 12.484 -1.299 -0.214 389 HG1 THR 47 HG1 THR 47 12.805 0.733 1.611 390 HG21 THR 47 3HG2 THR 47 15.210 0.034 0.019 391 HG22 THR 47 1HG2 THR 47 14.688 -1.022 -1.302 392 HG23 THR 47 2HG2 THR 47 14.861 -1.667 0.330 393 H ARG 48 H ARG 48 14.155 1.863 -2.499 394 HA ARG 48 HA ARG 48 12.833 0.735 -4.852 395 HB2 ARG 48 2HB ARG 48 15.192 2.644 -4.559 396 HB3 ARG 48 3HB ARG 48 14.510 2.138 -6.107 397 HG2 ARG 48 2HG ARG 48 12.413 3.220 -5.652 398 HG3 ARG 48 3HG ARG 48 12.835 3.484 -3.960 399 HD2 ARG 48 2HD ARG 48 13.001 5.569 -5.157 400 HD3 ARG 48 3HD ARG 48 14.607 5.043 -4.672 401 HE ARG 48 HE ARG 48 14.532 4.102 -7.140 402 HH11 ARG 48 1HH1 ARG 48 13.511 7.272 -5.991 403 HH12 ARG 48 2HH1 ARG 48 13.900 8.058 -7.488 404 HH21 ARG 48 1HH2 ARG 48 15.079 5.158 -9.066 405 HH22 ARG 48 2HH2 ARG 48 14.789 6.861 -9.229 406 H ASP 49 H ASP 49 13.239 -1.294 -5.187 407 HA ASP 49 HA ASP 49 15.701 -2.629 -4.313 408 HB2 ASP 49 2HB ASP 49 13.416 -3.328 -3.474 409 HB3 ASP 49 3HB ASP 49 12.977 -3.742 -5.126 410 H ASP 50 H ASP 50 15.843 -1.061 -6.631 411 HA ASP 50 HA ASP 50 16.838 -1.000 -8.633 412 HB2 ASP 50 2HB ASP 50 18.410 -2.605 -7.497 413 HB3 ASP 50 3HB ASP 50 17.488 -3.943 -8.172 414 H GLY 51 H GLY 51 14.790 -0.589 -9.558 415 HA2 GLY 51 2HA GLY 51 13.513 -0.822 -11.510 416 HA3 GLY 51 3HA GLY 51 13.911 -2.533 -11.587 417 H THR 52 H THR 52 13.277 -3.089 -8.893 418 HA THR 52 HA THR 52 10.342 -3.067 -8.844 419 HB THR 52 HB THR 52 12.404 -4.688 -7.264 420 HG1 THR 52 HG1 THR 52 11.951 -4.993 -9.708 421 HG21 THR 52 3HG2 THR 52 9.402 -5.128 -7.472 422 HG22 THR 52 1HG2 THR 52 10.244 -4.515 -6.040 423 HG23 THR 52 2HG2 THR 52 10.548 -6.155 -6.613 424 H VAL 53 H VAL 53 9.280 -2.458 -6.775 425 HA VAL 53 HA VAL 53 10.924 -0.899 -4.856 426 HB VAL 53 HB VAL 53 8.025 -0.260 -5.616 427 HG11 VAL 53 1HG1 VAL 53 9.956 1.269 -3.817 428 HG12 VAL 53 2HG1 VAL 53 8.556 0.340 -3.273 429 HG13 VAL 53 3HG1 VAL 53 8.323 1.789 -4.254 430 HG21 VAL 53 3HG2 VAL 53 8.907 1.776 -6.693 431 HG22 VAL 53 1HG2 VAL 53 9.539 0.319 -7.462 432 HG23 VAL 53 2HG2 VAL 53 10.557 1.244 -6.356 433 H GLU 54 H GLU 54 10.947 -1.928 -2.952 434 HA GLU 54 HA GLU 54 8.949 -3.868 -2.141 435 HB2 GLU 54 2HB GLU 54 11.344 -4.340 -1.771 436 HB3 GLU 54 3HB GLU 54 11.508 -2.870 -0.817 437 HG2 GLU 54 2HG GLU 54 9.853 -3.864 0.834 438 HG3 GLU 54 3HG GLU 54 9.936 -5.366 -0.086 439 H LEU 55 H LEU 55 7.123 -2.922 -1.449 440 HA LEU 55 HA LEU 55 7.066 -0.443 0.104 441 HB2 LEU 55 2HB LEU 55 5.473 -0.583 -1.700 442 HB3 LEU 55 3HB LEU 55 4.962 -2.191 -1.221 443 HG LEU 55 HG LEU 55 3.905 -1.197 0.843 444 HD11 LEU 55 1HD1 LEU 55 5.234 0.831 1.061 445 HD12 LEU 55 2HD1 LEU 55 3.513 1.205 0.989 446 HD13 LEU 55 3HD1 LEU 55 4.534 1.477 -0.427 447 HD21 LEU 55 3HD2 LEU 55 2.548 -1.702 -1.124 448 HD22 LEU 55 1HD2 LEU 55 2.875 -0.101 -1.792 449 HD23 LEU 55 2HD2 LEU 55 1.944 -0.268 -0.300 450 H ARG 56 H ARG 56 6.841 -0.460 2.280 451 HA ARG 56 HA ARG 56 6.086 -2.948 3.695 452 HB2 ARG 56 2HB ARG 56 7.667 -0.526 4.669 453 HB3 ARG 56 3HB ARG 56 7.219 -1.898 5.678 454 HG2 ARG 56 2HG ARG 56 9.025 -2.046 3.235 455 HG3 ARG 56 3HG ARG 56 9.579 -1.993 4.909 456 HD2 ARG 56 2HD ARG 56 8.389 -4.130 5.354 457 HD3 ARG 56 3HD ARG 56 7.886 -4.194 3.659 458 HE ARG 56 HE ARG 56 10.560 -3.993 3.449 459 HH11 ARG 56 1HH1 ARG 56 8.586 -6.189 5.385 460 HH12 ARG 56 2HH1 ARG 56 9.757 -7.465 5.319 461 HH21 ARG 56 1HH2 ARG 56 12.043 -5.686 3.350 462 HH22 ARG 56 2HH2 ARG 56 11.716 -7.184 4.163 463 H ILE 57 H ILE 57 3.925 -2.856 3.987 464 HA ILE 57 HA ILE 57 2.645 -0.374 4.934 465 HB ILE 57 HB ILE 57 1.495 -3.001 3.899 466 HG12 ILE 57 2HG1 ILE 57 2.331 -1.471 2.152 467 HG13 ILE 57 3HG1 ILE 57 0.577 -1.594 2.072 468 HG21 ILE 57 1HG2 ILE 57 0.025 -2.247 5.703 469 HG22 ILE 57 2HG2 ILE 57 -0.768 -2.022 4.144 470 HG23 ILE 57 3HG2 ILE 57 -0.069 -0.636 4.986 471 HD11 ILE 57 3HD1 ILE 57 0.386 0.567 3.228 472 HD12 ILE 57 1HD1 ILE 57 1.310 0.675 1.734 473 HD13 ILE 57 2HD1 ILE 57 2.150 0.683 3.280 474 H LYS 58 H LYS 58 2.731 -0.116 7.055 475 HA LYS 58 HA LYS 58 2.575 -2.433 8.899 476 HB2 LYS 58 2HB LYS 58 4.691 -1.113 8.942 477 HB3 LYS 58 3HB LYS 58 3.779 0.361 9.222 478 HG2 LYS 58 2HG LYS 58 3.062 -0.560 11.434 479 HG3 LYS 58 3HG LYS 58 4.082 -1.973 11.135 480 HD2 LYS 58 2HD LYS 58 6.073 -0.454 10.965 481 HD3 LYS 58 3HD LYS 58 5.029 0.915 11.356 482 HE2 LYS 58 2HE LYS 58 6.218 0.230 13.354 483 HE3 LYS 58 3HE LYS 58 4.512 -0.169 13.549 484 HZ1 LYS 58 3HZ LYS 58 5.976 -1.951 14.297 485 HZ2 LYS 58 1HZ LYS 58 6.637 -2.091 12.747 486 HZ3 LYS 58 2HZ LYS 58 5.008 -2.460 13.014 487 H VAL 59 H VAL 59 0.346 -2.571 9.201 488 HA VAL 59 HA VAL 59 -1.174 -0.113 9.792 489 HB VAL 59 HB VAL 59 -2.231 -2.872 9.024 490 HG11 VAL 59 1HG1 VAL 59 -4.464 -1.807 8.940 491 HG12 VAL 59 2HG1 VAL 59 -3.773 -0.298 9.541 492 HG13 VAL 59 3HG1 VAL 59 -3.786 -1.733 10.569 493 HG21 VAL 59 3HG2 VAL 59 -2.974 -1.757 6.936 494 HG22 VAL 59 1HG2 VAL 59 -1.217 -1.697 7.119 495 HG23 VAL 59 2HG2 VAL 59 -2.189 -0.263 7.460 496 H LYS 60 H LYS 60 -1.030 0.304 11.895 497 HA LYS 60 HA LYS 60 -1.400 -1.756 13.929 498 HB2 LYS 60 2HB LYS 60 0.172 0.198 14.248 499 HB3 LYS 60 3HB LYS 60 -1.215 1.278 14.193 500 HG2 LYS 60 2HG LYS 60 -2.132 0.050 16.216 501 HG3 LYS 60 3HG LYS 60 -0.593 -0.810 16.305 502 HD2 LYS 60 2HD LYS 60 -0.598 1.088 17.864 503 HD3 LYS 60 3HD LYS 60 0.596 1.354 16.590 504 HE2 LYS 60 2HE LYS 60 -0.941 2.887 15.437 505 HE3 LYS 60 3HE LYS 60 -2.198 2.555 16.630 506 HZ1 LYS 60 3HZ LYS 60 -1.033 4.656 17.036 507 HZ2 LYS 60 1HZ LYS 60 0.421 3.820 17.237 508 HZ3 LYS 60 2HZ LYS 60 -0.849 3.576 18.324 509 H ALA 61 H ALA 61 -3.440 -2.463 14.089 510 HA ALA 61 HA ALA 61 -5.701 -0.602 14.395 511 HB1 ALA 61 3HB ALA 61 -7.133 -1.924 12.878 512 HB2 ALA 61 1HB ALA 61 -5.761 -2.956 12.465 513 HB3 ALA 61 2HB ALA 61 -5.753 -1.253 12.007 514 H ASP 62 H ASP 62 -7.621 -1.795 15.363 515 HA ASP 62 HA ASP 62 -6.590 -2.960 17.728 516 HB2 ASP 62 2HB ASP 62 -8.631 -1.501 17.648 517 HB3 ASP 62 3HB ASP 62 -9.516 -2.827 16.898 518 H THR 63 H THR 63 -8.680 -4.360 15.184 519 HA THR 63 HA THR 63 -7.921 -7.090 16.072 520 HB THR 63 HB THR 63 -9.959 -7.830 14.759 521 HG1 THR 63 HG1 THR 63 -11.488 -6.018 14.375 522 HG21 THR 63 3HG2 THR 63 -10.503 -5.854 17.012 523 HG22 THR 63 1HG2 THR 63 -10.152 -7.577 17.195 524 HG23 THR 63 2HG2 THR 63 -11.644 -7.058 16.410 525 H GLU 64 H GLU 64 -7.437 -8.655 14.464 526 HA GLU 64 HA GLU 64 -5.664 -7.872 12.451 527 HB2 GLU 64 2HB GLU 64 -5.723 -10.280 11.743 528 HB3 GLU 64 3HB GLU 64 -5.460 -10.052 13.469 529 HG2 GLU 64 2HG GLU 64 -7.735 -10.661 13.977 530 HG3 GLU 64 3HG GLU 64 -8.168 -10.695 12.266 531 H GLU 65 H GLU 65 -9.107 -8.694 12.265 532 HA GLU 65 HA GLU 65 -9.337 -9.001 9.466 533 HB2 GLU 65 2HB GLU 65 -11.017 -9.821 11.064 534 HB3 GLU 65 3HB GLU 65 -11.408 -8.171 11.534 535 HG2 GLU 65 2HG GLU 65 -12.179 -7.744 9.180 536 HG3 GLU 65 3HG GLU 65 -11.899 -9.447 8.825 537 H LYS 66 H LYS 66 -9.871 -6.178 11.585 538 HA LYS 66 HA LYS 66 -10.653 -4.390 9.501 539 HB2 LYS 66 2HB LYS 66 -9.630 -3.793 12.310 540 HB3 LYS 66 3HB LYS 66 -10.361 -2.609 11.226 541 HG2 LYS 66 2HG LYS 66 -12.477 -3.912 11.240 542 HG3 LYS 66 3HG LYS 66 -11.743 -5.073 12.348 543 HD2 LYS 66 2HD LYS 66 -13.136 -3.563 13.638 544 HD3 LYS 66 3HD LYS 66 -11.449 -3.224 14.022 545 HE2 LYS 66 2HE LYS 66 -11.490 -1.256 12.560 546 HE3 LYS 66 3HE LYS 66 -13.144 -1.628 12.074 547 HZ1 LYS 66 3HZ LYS 66 -12.974 0.119 13.778 548 HZ2 LYS 66 1HZ LYS 66 -12.330 -1.010 14.858 549 HZ3 LYS 66 2HZ LYS 66 -13.904 -1.201 14.277 550 H ALA 67 H ALA 67 -7.564 -5.253 10.980 551 HA ALA 67 HA ALA 67 -5.940 -3.287 9.765 552 HB1 ALA 67 3HB ALA 67 -5.188 -6.095 10.628 553 HB2 ALA 67 1HB ALA 67 -5.238 -4.678 11.678 554 HB3 ALA 67 2HB ALA 67 -4.078 -4.750 10.353 555 H LYS 68 H LYS 68 -6.824 -6.595 8.700 556 HA LYS 68 HA LYS 68 -5.327 -6.613 6.280 557 HB2 LYS 68 2HB LYS 68 -7.824 -8.203 7.019 558 HB3 LYS 68 3HB LYS 68 -6.785 -8.547 5.640 559 HG2 LYS 68 2HG LYS 68 -5.940 -8.699 8.548 560 HG3 LYS 68 3HG LYS 68 -6.406 -10.073 7.546 561 HD2 LYS 68 2HD LYS 68 -4.483 -9.689 6.070 562 HD3 LYS 68 3HD LYS 68 -4.035 -8.243 6.983 563 HE2 LYS 68 2HE LYS 68 -3.571 -9.599 8.964 564 HE3 LYS 68 3HE LYS 68 -4.131 -11.055 8.139 565 HZ1 LYS 68 3HZ LYS 68 -2.306 -10.875 6.605 566 HZ2 LYS 68 1HZ LYS 68 -1.713 -10.871 8.188 567 HZ3 LYS 68 2HZ LYS 68 -1.789 -9.427 7.308 568 H SER 69 H SER 69 -8.536 -5.463 7.128 569 HA SER 69 HA SER 69 -9.687 -5.129 4.574 570 HB2 SER 69 2HB SER 69 -11.025 -5.056 6.629 571 HB3 SER 69 3HB SER 69 -10.167 -3.618 7.185 572 HG SER 69 HG SER 69 -11.270 -2.412 5.807 573 H ILE 70 H ILE 70 -7.789 -2.970 6.627 574 HA ILE 70 HA ILE 70 -7.768 -0.663 5.008 575 HB ILE 70 HB ILE 70 -5.850 -1.699 7.142 576 HG12 ILE 70 2HG1 ILE 70 -7.960 0.502 7.310 577 HG13 ILE 70 3HG1 ILE 70 -8.250 -1.165 7.785 578 HG21 ILE 70 1HG2 ILE 70 -5.873 1.071 5.903 579 HG22 ILE 70 2HG2 ILE 70 -4.595 -0.134 5.741 580 HG23 ILE 70 3HG2 ILE 70 -4.929 0.587 7.315 581 HD11 ILE 70 3HD1 ILE 70 -6.277 0.721 9.063 582 HD12 ILE 70 1HD1 ILE 70 -6.553 -0.960 9.531 583 HD13 ILE 70 2HD1 ILE 70 -7.843 0.227 9.704 584 H ILE 71 H ILE 71 -5.532 -3.429 5.224 585 HA ILE 71 HA ILE 71 -3.649 -2.584 3.288 586 HB ILE 71 HB ILE 71 -4.343 -5.416 4.193 587 HG12 ILE 71 2HG1 ILE 71 -2.111 -3.567 5.163 588 HG13 ILE 71 3HG1 ILE 71 -3.625 -3.827 6.017 589 HG21 ILE 71 1HG2 ILE 71 -2.095 -6.075 3.385 590 HG22 ILE 71 2HG2 ILE 71 -1.844 -4.450 2.745 591 HG23 ILE 71 3HG2 ILE 71 -3.102 -5.481 2.061 592 HD11 ILE 71 3HD1 ILE 71 -3.053 -6.176 6.327 593 HD12 ILE 71 1HD1 ILE 71 -1.827 -5.103 6.998 594 HD13 ILE 71 2HD1 ILE 71 -1.531 -5.924 5.468 595 H LYS 72 H LYS 72 -6.739 -4.326 3.018 596 HA LYS 72 HA LYS 72 -6.497 -5.172 0.315 597 HB2 LYS 72 2HB LYS 72 -8.163 -6.171 1.833 598 HB3 LYS 72 3HB LYS 72 -8.998 -4.632 1.974 599 HG2 LYS 72 2HG LYS 72 -10.210 -6.161 0.480 600 HG3 LYS 72 3HG LYS 72 -9.647 -4.740 -0.407 601 HD2 LYS 72 2HD LYS 72 -7.714 -6.092 -1.257 602 HD3 LYS 72 3HD LYS 72 -8.365 -7.504 -0.421 603 HE2 LYS 72 2HE LYS 72 -9.826 -5.971 -2.601 604 HE3 LYS 72 3HE LYS 72 -8.894 -7.442 -2.866 605 HZ1 LYS 72 3HZ LYS 72 -10.400 -8.661 -1.484 606 HZ2 LYS 72 1HZ LYS 72 -11.302 -7.829 -2.646 607 HZ3 LYS 72 2HZ LYS 72 -11.244 -7.261 -1.056 608 H LEU 73 H LEU 73 -7.898 -2.249 1.834 609 HA LEU 73 HA LEU 73 -8.800 -0.921 -0.467 610 HB2 LEU 73 2HB LEU 73 -7.961 -0.032 2.281 611 HB3 LEU 73 3HB LEU 73 -8.028 1.208 1.048 612 HG LEU 73 HG LEU 73 -10.431 0.742 0.668 613 HD11 LEU 73 1HD1 LEU 73 -10.233 -1.252 2.934 614 HD12 LEU 73 2HD1 LEU 73 -10.518 -1.629 1.234 615 HD13 LEU 73 3HD1 LEU 73 -11.718 -0.714 2.142 616 HD21 LEU 73 3HD2 LEU 73 -9.741 1.288 3.573 617 HD22 LEU 73 1HD2 LEU 73 -11.279 1.672 2.790 618 HD23 LEU 73 2HD2 LEU 73 -9.799 2.475 2.268 619 H ILE 74 H ILE 74 -5.621 -0.786 1.148 620 HA ILE 74 HA ILE 74 -4.286 0.994 -0.551 621 HB ILE 74 HB ILE 74 -3.207 -1.313 1.127 622 HG12 ILE 74 2HG1 ILE 74 -3.335 1.677 1.747 623 HG13 ILE 74 3HG1 ILE 74 -4.474 0.483 2.351 624 HG21 ILE 74 1HG2 ILE 74 -1.516 -0.729 -0.556 625 HG22 ILE 74 2HG2 ILE 74 -0.995 -0.210 1.047 626 HG23 ILE 74 3HG2 ILE 74 -1.624 0.974 -0.098 627 HD11 ILE 74 3HD1 ILE 74 -2.898 1.047 4.056 628 HD12 ILE 74 1HD1 ILE 74 -1.539 0.652 3.003 629 HD13 ILE 74 2HD1 ILE 74 -2.630 -0.622 3.556 630 H GLU 75 H GLU 75 -4.440 -2.587 -0.705 631 HA GLU 75 HA GLU 75 -2.722 -3.057 -2.853 632 HB2 GLU 75 2HB GLU 75 -5.107 -4.607 -1.789 633 HB3 GLU 75 3HB GLU 75 -4.139 -5.213 -3.129 634 HG2 GLU 75 2HG GLU 75 -3.012 -4.542 -0.394 635 HG3 GLU 75 3HG GLU 75 -3.533 -6.152 -0.884 636 H GLU 76 H GLU 76 -6.239 -2.510 -2.863 637 HA GLU 76 HA GLU 76 -6.678 -2.895 -5.625 638 HB2 GLU 76 2HB GLU 76 -8.255 -1.251 -3.599 639 HB3 GLU 76 3HB GLU 76 -8.827 -1.626 -5.223 640 HG2 GLU 76 2HG GLU 76 -8.227 -3.655 -3.047 641 HG3 GLU 76 3HG GLU 76 -9.831 -3.093 -3.507 642 H ARG 77 H ARG 77 -5.995 0.043 -3.715 643 HA ARG 77 HA ARG 77 -6.558 1.842 -5.870 644 HB2 ARG 77 2HB ARG 77 -5.110 2.411 -3.256 645 HB3 ARG 77 3HB ARG 77 -5.761 3.619 -4.359 646 HG2 ARG 77 2HG ARG 77 -7.325 1.651 -2.679 647 HG3 ARG 77 3HG ARG 77 -7.211 3.390 -2.443 648 HD2 ARG 77 2HD ARG 77 -8.440 3.763 -4.533 649 HD3 ARG 77 3HD ARG 77 -8.500 2.019 -4.829 650 HE ARG 77 HE ARG 77 -9.861 3.449 -2.636 651 HH11 ARG 77 1HH1 ARG 77 -9.671 0.600 -4.706 652 HH12 ARG 77 2HH1 ARG 77 -11.139 -0.081 -4.080 653 HH21 ARG 77 1HH2 ARG 77 -11.737 2.526 -1.810 654 HH22 ARG 77 2HH2 ARG 77 -12.305 1.014 -2.440 655 H ILE 78 H ILE 78 -3.497 0.701 -4.322 656 HA ILE 78 HA ILE 78 -1.761 2.384 -5.765 657 HB ILE 78 HB ILE 78 0.127 0.906 -5.134 658 HG12 ILE 78 2HG1 ILE 78 -1.965 -0.992 -3.958 659 HG13 ILE 78 3HG1 ILE 78 -0.934 -1.329 -5.340 660 HG21 ILE 78 1HG2 ILE 78 -1.779 1.395 -2.825 661 HG22 ILE 78 2HG2 ILE 78 -0.673 2.576 -3.531 662 HG23 ILE 78 3HG2 ILE 78 -0.032 1.161 -2.695 663 HD11 ILE 78 3HD1 ILE 78 1.042 -1.244 -3.870 664 HD12 ILE 78 1HD1 ILE 78 -0.121 -2.475 -3.380 665 HD13 ILE 78 2HD1 ILE 78 -0.016 -0.961 -2.483 666 H GLU 79 H GLU 79 -2.816 -0.959 -6.392 667 HA GLU 79 HA GLU 79 -1.273 -1.458 -8.698 668 HB2 GLU 79 2HB GLU 79 -2.363 -3.238 -7.391 669 HB3 GLU 79 3HB GLU 79 -3.952 -2.632 -7.845 670 HG2 GLU 79 2HG GLU 79 -3.364 -3.118 -10.256 671 HG3 GLU 79 3HG GLU 79 -1.881 -3.877 -9.684 672 H GLU 80 H GLU 80 -4.582 -0.210 -8.299 673 HA GLU 80 HA GLU 80 -5.342 -0.276 -11.034 674 HB2 GLU 80 2HB GLU 80 -6.777 -0.169 -8.858 675 HB3 GLU 80 3HB GLU 80 -6.537 1.564 -8.923 676 HG2 GLU 80 2HG GLU 80 -7.810 -0.004 -11.183 677 HG3 GLU 80 3HG GLU 80 -8.739 0.627 -9.830 678 H GLU 81 H GLU 81 -3.833 2.192 -9.015 679 HA GLU 81 HA GLU 81 -3.914 4.317 -10.954 680 HB2 GLU 81 2HB GLU 81 -2.416 3.932 -8.336 681 HB3 GLU 81 3HB GLU 81 -2.247 5.391 -9.310 682 HG2 GLU 81 2HG GLU 81 -4.850 4.368 -8.144 683 HG3 GLU 81 3HG GLU 81 -3.853 5.637 -7.434 684 H LEU 82 H LEU 82 -1.511 1.941 -9.904 685 HA LEU 82 HA LEU 82 0.769 2.942 -11.219 686 HB2 LEU 82 2HB LEU 82 -0.027 0.183 -10.234 687 HB3 LEU 82 3HB LEU 82 1.492 0.416 -11.077 688 HG LEU 82 HG LEU 82 0.751 1.840 -8.494 689 HD11 LEU 82 1HD1 LEU 82 2.326 0.308 -7.376 690 HD12 LEU 82 2HD1 LEU 82 2.520 -0.597 -8.878 691 HD13 LEU 82 3HD1 LEU 82 0.951 -0.554 -8.068 692 HD21 LEU 82 3HD2 LEU 82 3.117 2.460 -8.419 693 HD22 LEU 82 1HD2 LEU 82 2.338 3.086 -9.871 694 HD23 LEU 82 2HD2 LEU 82 3.389 1.669 -9.975 695 H ARG 83 H ARG 83 -1.465 0.343 -12.167 696 HA ARG 83 HA ARG 83 -0.085 -0.350 -14.521 697 HB2 ARG 83 2HB ARG 83 -2.800 -1.151 -13.463 698 HB3 ARG 83 3HB ARG 83 -2.125 -1.825 -14.946 699 HG2 ARG 83 2HG ARG 83 -0.194 -2.706 -13.718 700 HG3 ARG 83 3HG ARG 83 -0.771 -1.965 -12.225 701 HD2 ARG 83 2HD ARG 83 -1.248 -4.351 -12.238 702 HD3 ARG 83 3HD ARG 83 -2.753 -3.430 -12.274 703 HE ARG 83 HE ARG 83 -2.022 -4.064 -14.908 704 HH11 ARG 83 1HH1 ARG 83 -3.172 -5.739 -12.013 705 HH12 ARG 83 2HH1 ARG 83 -3.934 -7.006 -12.916 706 HH21 ARG 83 1HH2 ARG 83 -3.007 -5.743 -16.060 707 HH22 ARG 83 2HH2 ARG 83 -3.836 -7.004 -15.215 708 H LYS 84 H LYS 84 -2.194 2.253 -14.097 709 HA LYS 84 HA LYS 84 -3.238 2.575 -16.713 710 HB2 LYS 84 2HB LYS 84 -2.470 4.635 -14.604 711 HB3 LYS 84 3HB LYS 84 -3.392 5.010 -16.060 712 HG2 LYS 84 2HG LYS 84 -5.195 3.498 -15.303 713 HG3 LYS 84 3HG LYS 84 -4.268 3.130 -13.843 714 HD2 LYS 84 2HD LYS 84 -4.396 5.499 -13.150 715 HD3 LYS 84 3HD LYS 84 -5.282 5.895 -14.627 716 HE2 LYS 84 2HE LYS 84 -7.135 4.450 -13.907 717 HE3 LYS 84 3HE LYS 84 -6.243 4.016 -12.446 718 HZ1 LYS 84 3HZ LYS 84 -7.162 6.750 -13.153 719 HZ2 LYS 84 1HZ LYS 84 -6.328 6.313 -11.746 720 HZ3 LYS 84 2HZ LYS 84 -7.887 5.721 -12.023 721 H ARG 85 H ARG 85 -0.085 3.298 -15.325 722 HA ARG 85 HA ARG 85 0.902 4.513 -17.856 723 HB2 ARG 85 2HB ARG 85 2.376 5.937 -16.193 724 HB3 ARG 85 3HB ARG 85 0.698 6.387 -16.474 725 HG2 ARG 85 2HG ARG 85 0.242 4.854 -14.359 726 HG3 ARG 85 3HG ARG 85 1.944 5.157 -14.020 727 HD2 ARG 85 2HD ARG 85 1.583 7.458 -13.664 728 HD3 ARG 85 3HD ARG 85 0.064 7.467 -14.572 729 HE ARG 85 HE ARG 85 -0.271 5.755 -12.393 730 HH11 ARG 85 1HH1 ARG 85 0.268 9.200 -12.847 731 HH12 ARG 85 2HH1 ARG 85 -0.564 9.639 -11.389 732 HH21 ARG 85 1HH2 ARG 85 -1.407 6.337 -10.541 733 HH22 ARG 85 2HH2 ARG 85 -1.519 8.001 -10.077 734 H ASP 86 H ASP 86 1.707 2.630 -14.998 735 HA ASP 86 HA ASP 86 3.978 1.350 -16.399 736 HB2 ASP 86 2HB ASP 86 3.338 1.292 -13.398 737 HB3 ASP 86 3HB ASP 86 4.721 0.530 -14.170 738 HA PRO 87 HA PRO 87 0.071 -1.189 -16.620 739 HB2 PRO 87 2HB PRO 87 0.662 -2.638 -18.896 740 HB3 PRO 87 3HB PRO 87 0.075 -0.962 -18.935 741 HG2 PRO 87 2HG PRO 87 2.910 -1.953 -19.121 742 HG3 PRO 87 3HG PRO 87 2.074 -0.754 -20.135 743 HD2 PRO 87 2HD PRO 87 3.709 0.034 -18.146 744 HD3 PRO 87 3HD PRO 87 2.212 0.930 -18.505 745 H ASN 88 H ASN 88 3.358 -2.461 -16.571 746 HA ASN 88 HA ASN 88 2.380 -5.112 -15.690 747 HB2 ASN 88 2HB ASN 88 5.142 -4.210 -16.611 748 HB3 ASN 88 3HB ASN 88 4.783 -5.831 -16.021 749 HD21 ASN 88 1HD2 ASN 88 3.420 -7.197 -17.298 750 HD22 ASN 88 2HD2 ASN 88 3.168 -6.881 -18.978 751 H ALA 89 H ALA 89 2.726 -2.380 -14.134 752 HA ALA 89 HA ALA 89 4.419 -3.100 -11.918 753 HB1 ALA 89 3HB ALA 89 4.012 -0.744 -12.404 754 HB2 ALA 89 1HB ALA 89 3.456 -1.136 -10.777 755 HB3 ALA 89 2HB ALA 89 2.289 -0.945 -12.090 756 H THR 90 H THR 90 3.613 -5.228 -11.654 757 HA THR 90 HA THR 90 1.004 -5.599 -10.378 758 HB THR 90 HB THR 90 3.088 -7.650 -11.268 759 HG1 THR 90 HG1 THR 90 1.459 -6.173 -12.722 760 HG21 THR 90 3HG2 THR 90 1.251 -9.302 -11.064 761 HG22 THR 90 1HG2 THR 90 0.182 -8.047 -10.439 762 HG23 THR 90 2HG2 THR 90 1.592 -8.553 -9.501 763 H ILE 91 H ILE 91 0.851 -5.867 -8.225 764 HA ILE 91 HA ILE 91 3.300 -5.668 -6.609 765 HB ILE 91 HB ILE 91 2.005 -4.763 -4.841 766 HG12 ILE 91 2HG1 ILE 91 0.050 -6.356 -4.892 767 HG13 ILE 91 3HG1 ILE 91 -0.411 -4.687 -4.616 768 HG21 ILE 91 1HG2 ILE 91 2.375 -3.172 -6.643 769 HG22 ILE 91 2HG2 ILE 91 0.837 -2.825 -5.853 770 HG23 ILE 91 3HG2 ILE 91 0.860 -3.639 -7.419 771 HD11 ILE 91 3HD1 ILE 91 -1.970 -5.823 -6.065 772 HD12 ILE 91 1HD1 ILE 91 -0.684 -6.192 -7.213 773 HD13 ILE 91 2HD1 ILE 91 -1.166 -4.517 -6.932 774 H THR 92 H THR 92 3.869 -7.204 -5.101 775 HA THR 92 HA THR 92 2.345 -9.755 -5.086 776 HB THR 92 HB THR 92 5.359 -9.317 -4.748 777 HG1 THR 92 HG1 THR 92 3.738 -9.983 -6.958 778 HG21 THR 92 3HG2 THR 92 5.543 -11.772 -4.936 779 HG22 THR 92 1HG2 THR 92 3.787 -11.913 -5.007 780 HG23 THR 92 2HG2 THR 92 4.566 -11.329 -3.532 781 H ARG 93 H ARG 93 1.231 -9.761 -3.209 782 HA ARG 93 HA ARG 93 2.183 -8.309 -0.869 783 HB2 ARG 93 2HB ARG 93 -0.181 -8.167 -1.693 784 HB3 ARG 93 3HB ARG 93 -0.403 -9.864 -1.287 785 HG2 ARG 93 2HG ARG 93 0.029 -9.328 1.102 786 HG3 ARG 93 3HG ARG 93 0.227 -7.629 0.664 787 HD2 ARG 93 2HD ARG 93 -2.002 -8.021 1.584 788 HD3 ARG 93 3HD ARG 93 -2.109 -7.548 -0.112 789 HE ARG 93 HE ARG 93 -2.559 -10.258 0.982 790 HH11 ARG 93 1HH1 ARG 93 -2.856 -8.019 -1.732 791 HH12 ARG 93 2HH1 ARG 93 -3.899 -9.073 -2.635 792 HH21 ARG 93 1HH2 ARG 93 -3.923 -11.611 -0.194 793 HH22 ARG 93 2HH2 ARG 93 -4.509 -11.121 -1.753 794 H THR 94 H THR 94 3.718 -9.400 0.213 795 HA THR 94 HA THR 94 3.202 -12.186 1.113 796 HB THR 94 HB THR 94 5.899 -10.776 0.762 797 HG1 THR 94 HG1 THR 94 5.374 -11.271 -1.258 798 HG21 THR 94 3HG2 THR 94 5.293 -13.686 1.424 799 HG22 THR 94 1HG2 THR 94 5.949 -12.491 2.551 800 HG23 THR 94 2HG2 THR 94 6.894 -12.998 1.152 801 H VAL 95 H VAL 95 2.345 -11.959 3.151 802 HA VAL 95 HA VAL 95 2.916 -9.633 4.763 803 HB VAL 95 HB VAL 95 0.655 -10.571 4.810 804 HG11 VAL 95 1HG1 VAL 95 0.092 -12.671 5.956 805 HG12 VAL 95 2HG1 VAL 95 1.809 -13.016 6.174 806 HG13 VAL 95 3HG1 VAL 95 1.124 -12.953 4.550 807 HG21 VAL 95 3HG2 VAL 95 0.268 -10.491 7.247 808 HG22 VAL 95 1HG2 VAL 95 1.419 -9.253 6.733 809 HG23 VAL 95 2HG2 VAL 95 1.997 -10.717 7.533 810 H ARG 96 H ARG 96 4.467 -9.397 6.184 811 HA ARG 96 HA ARG 96 6.407 -11.532 6.561 812 HB2 ARG 96 2HB ARG 96 7.034 -9.183 5.853 813 HB3 ARG 96 3HB ARG 96 6.539 -8.612 7.442 814 HG2 ARG 96 2HG ARG 96 8.987 -8.865 7.259 815 HG3 ARG 96 3HG ARG 96 8.307 -9.917 8.503 816 HD2 ARG 96 2HD ARG 96 10.005 -11.112 7.225 817 HD3 ARG 96 3HD ARG 96 8.421 -11.833 6.934 818 HE ARG 96 HE ARG 96 9.261 -9.849 4.971 819 HH11 ARG 96 1HH1 ARG 96 9.261 -13.285 5.770 820 HH12 ARG 96 2HH1 ARG 96 9.526 -13.778 4.130 821 HH21 ARG 96 1HH2 ARG 96 9.670 -10.543 2.826 822 HH22 ARG 96 2HH2 ARG 96 9.756 -12.242 2.475 823 H THR 97 H THR 97 4.027 -9.762 8.408 824 HA THR 97 HA THR 97 4.745 -10.791 10.996 825 HB THR 97 HB THR 97 2.208 -9.436 9.989 826 HG1 THR 97 HG1 THR 97 4.530 -8.417 10.293 827 HG21 THR 97 3HG2 THR 97 3.039 -9.992 12.869 828 HG22 THR 97 1HG2 THR 97 1.677 -10.742 12.028 829 HG23 THR 97 2HG2 THR 97 1.661 -9.011 12.372 830 H GLU 98 H GLU 98 4.333 -12.773 11.711 831 HA GLU 98 HA GLU 98 2.065 -14.356 10.646 832 HB2 GLU 98 2HB GLU 98 3.465 -16.416 11.177 833 HB3 GLU 98 3HB GLU 98 4.032 -15.452 9.819 834 HG2 GLU 98 2HG GLU 98 5.816 -14.494 11.186 835 HG3 GLU 98 3HG GLU 98 5.211 -15.333 12.612 836 H VAL 99 H VAL 99 0.690 -13.603 12.214 837 HA VAL 99 HA VAL 99 1.203 -13.330 14.979 838 HB VAL 99 HB VAL 99 -1.512 -13.762 13.637 839 HG11 VAL 99 1HG1 VAL 99 -1.619 -13.962 16.088 840 HG12 VAL 99 2HG1 VAL 99 -2.455 -12.511 15.538 841 HG13 VAL 99 3HG1 VAL 99 -0.853 -12.381 16.265 842 HG21 VAL 99 3HG2 VAL 99 -0.308 -11.917 12.526 843 HG22 VAL 99 1HG2 VAL 99 -0.060 -11.123 14.084 844 HG23 VAL 99 2HG2 VAL 99 -1.692 -11.312 13.438 845 H GLY 100 H GLY 100 1.519 -14.913 16.457 846 HA2 GLY 100 2HA GLY 100 0.085 -16.959 17.339 847 HA3 GLY 100 3HA GLY 100 0.759 -17.702 15.891 848 H SER 101 H SER 101 2.028 -15.590 18.496 849 HA SER 101 HA SER 101 4.682 -16.585 18.381 850 HB2 SER 101 2HB SER 101 3.287 -15.066 20.634 851 HB3 SER 101 3HB SER 101 5.035 -15.243 20.442 852 HG SER 101 HG SER 101 4.301 -14.296 18.181 853 H SER 102 H SER 102 2.209 -17.012 20.963 854 HA SER 102 HA SER 102 3.342 -19.629 21.694 855 HB2 SER 102 2HB SER 102 4.529 -17.955 23.096 856 HB3 SER 102 3HB SER 102 2.985 -17.344 23.691 857 HG SER 102 HG SER 102 2.986 -18.910 25.094 858 H TRP 103 H TRP 103 1.709 -21.012 21.791 859 HA TRP 103 HA TRP 103 -0.701 -20.323 23.355 860 HB2 TRP 103 2HB TRP 103 -1.396 -20.286 20.982 861 HB3 TRP 103 3HB TRP 103 -0.676 -21.867 20.714 862 HD1 TRP 103 HD1 TRP 103 -2.918 -21.202 23.790 863 HE1 TRP 103 HE1 TRP 103 -5.056 -22.601 23.561 864 HE3 TRP 103 HE3 TRP 103 -2.248 -22.968 19.027 865 HZ2 TRP 103 HZ2 TRP 103 -6.315 -24.222 21.634 866 HZ3 TRP 103 HZ3 TRP 103 -3.977 -24.435 18.060 867 HH2 TRP 103 HH2 TRP 103 -5.971 -25.049 19.338 868 H SER 104 H SER 104 -0.244 -21.429 25.139 869 HA SER 104 HA SER 104 1.064 -24.044 25.101 870 HB2 SER 104 2HB SER 104 0.252 -22.251 27.431 871 HB3 SER 104 3HB SER 104 1.243 -23.710 27.541 872 HG SER 104 HG SER 104 2.614 -22.493 25.906 873 H LEU 105 H LEU 105 -0.391 -25.619 24.584 874 HA LEU 105 HA LEU 105 -3.082 -25.727 25.662 875 HB2 LEU 105 2HB LEU 105 -1.490 -27.841 24.139 876 HB3 LEU 105 3HB LEU 105 -3.185 -27.971 24.569 877 HG LEU 105 HG LEU 105 -3.554 -25.841 23.136 878 HD11 LEU 105 1HD1 LEU 105 -1.251 -25.095 22.936 879 HD12 LEU 105 2HD1 LEU 105 -1.950 -25.389 21.347 880 HD13 LEU 105 3HD1 LEU 105 -0.825 -26.559 22.046 881 HD21 LEU 105 3HD2 LEU 105 -2.730 -28.394 21.716 882 HD22 LEU 105 1HD2 LEU 105 -3.730 -27.104 21.036 883 HD23 LEU 105 2HD2 LEU 105 -4.319 -28.048 22.402 884 H GLU 106 H GLU 106 -2.694 -25.632 27.900 885 HA GLU 106 HA GLU 106 -0.815 -27.230 29.305 886 HB2 GLU 106 2HB GLU 106 -1.903 -26.425 31.363 887 HB3 GLU 106 3HB GLU 106 -1.641 -25.105 30.231 888 HG2 GLU 106 2HG GLU 106 -4.010 -25.143 29.586 889 HG3 GLU 106 3HG GLU 106 -4.293 -26.525 30.640 890 H HIS 107 H HIS 107 -1.148 -28.956 30.743 891 HA HIS 107 HA HIS 107 -3.678 -30.447 30.742 892 HB2 HIS 107 2HB HIS 107 -1.018 -31.622 29.774 893 HB3 HIS 107 3HB HIS 107 -2.362 -32.622 30.313 894 HD1 HIS 107 HD1 HIS 107 -1.281 -30.395 27.480 895 HD2 HIS 107 HD2 HIS 107 -4.463 -32.891 28.460 896 HE1 HIS 107 HE1 HIS 107 -2.597 -30.689 25.360 897 HE2 HIS 107 HE2 HIS 107 -4.602 -32.047 26.026 898 H HIS 108 H HIS 108 -4.033 -30.417 32.921 899 HA HIS 108 HA HIS 108 -1.980 -30.491 34.891 900 HB2 HIS 108 2HB HIS 108 -4.208 -29.517 35.399 901 HB3 HIS 108 3HB HIS 108 -4.950 -31.105 35.222 902 HD1 HIS 108 HD1 HIS 108 -2.864 -29.062 37.584 903 HD2 HIS 108 HD2 HIS 108 -4.539 -32.859 37.432 904 HE1 HIS 108 HE1 HIS 108 -2.668 -29.986 39.910 905 HE2 HIS 108 HE2 HIS 108 -3.603 -32.316 39.768 906 H HIS 109 H HIS 109 -0.693 -32.184 35.047 907 HA HIS 109 HA HIS 109 -1.337 -34.762 33.975 908 HB2 HIS 109 2HB HIS 109 1.123 -33.932 35.566 909 HB3 HIS 109 3HB HIS 109 0.975 -35.338 34.516 910 HD1 HIS 109 HD1 HIS 109 0.654 -34.748 31.884 911 HD2 HIS 109 HD2 HIS 109 2.051 -31.678 34.305 912 HE1 HIS 109 HE1 HIS 109 1.588 -33.025 30.316 913 HE2 HIS 109 HE2 HIS 109 2.471 -31.202 31.808 914 H HIS 110 H HIS 110 -2.063 -36.524 35.015 915 HA HIS 110 HA HIS 110 -2.607 -36.483 37.873 916 HB2 HIS 110 2HB HIS 110 -3.088 -38.690 35.811 917 HB3 HIS 110 3HB HIS 110 -3.670 -38.705 37.474 918 HD1 HIS 110 HD1 HIS 110 -5.872 -39.031 35.631 919 HD2 HIS 110 HD2 HIS 110 -4.392 -35.224 36.427 920 HE1 HIS 110 HE1 HIS 110 -7.720 -37.439 35.041 921 HE2 HIS 110 HE2 HIS 110 -6.713 -35.156 35.324 922 H HIS 111 H HIS 111 -1.278 -37.270 39.388 923 HA HIS 111 HA HIS 111 1.418 -37.711 38.778 924 HB2 HIS 111 2HB HIS 111 0.714 -36.676 40.880 925 HB3 HIS 111 3HB HIS 111 -0.063 -38.167 41.400 926 HD1 HIS 111 HD1 HIS 111 1.328 -39.574 42.914 927 HD2 HIS 111 HD2 HIS 111 3.686 -37.117 40.530 928 HE1 HIS 111 HE1 HIS 111 3.693 -39.963 43.665 929 HE2 HIS 111 HE2 HIS 111 5.097 -38.607 42.082 930 H HIS 112 H HIS 112 1.950 -39.440 37.611 931 HA HIS 112 HA HIS 112 2.553 -41.843 38.920 932 HB2 HIS 112 2HB HIS 112 0.180 -42.468 38.521 933 HB3 HIS 112 3HB HIS 112 0.363 -42.145 36.800 934 HD1 HIS 112 HD1 HIS 112 1.929 -43.838 35.464 935 HD2 HIS 112 HD2 HIS 112 0.956 -45.021 39.322 936 HE1 HIS 112 HE1 HIS 112 2.485 -46.279 35.576 937 HE2 HIS 112 HE2 HIS 112 1.732 -47.003 37.861 Start of MODEL 9 1 H1 MET 1 1H MET 1 -6.257 -5.230 19.765 2 H2 MET 1 2H MET 1 -6.857 -3.740 20.288 3 H3 MET 1 3H MET 1 -5.488 -4.406 21.024 4 HA MET 1 HA MET 1 -5.685 -3.541 18.212 5 HB2 MET 1 2HB MET 1 -5.712 -1.625 19.800 6 HB3 MET 1 3HB MET 1 -4.242 -2.217 20.550 7 HG2 MET 1 2HG MET 1 -3.042 -1.866 18.394 8 HG3 MET 1 3HG MET 1 -4.521 -1.201 17.710 9 HE1 MET 1 3HE MET 1 -4.916 2.181 19.638 10 HE2 MET 1 1HE MET 1 -5.764 0.657 19.889 11 HE3 MET 1 2HE MET 1 -5.456 1.237 18.249 12 H LEU 2 H LEU 2 -4.405 -4.821 17.025 13 HA LEU 2 HA LEU 2 -1.681 -5.475 17.992 14 HB2 LEU 2 2HB LEU 2 -1.725 -7.387 16.336 15 HB3 LEU 2 3HB LEU 2 -2.804 -7.550 17.705 16 HG LEU 2 HG LEU 2 -4.724 -6.832 16.179 17 HD11 LEU 2 1HD1 LEU 2 -4.491 -7.049 13.763 18 HD12 LEU 2 2HD1 LEU 2 -2.753 -7.310 13.925 19 HD13 LEU 2 3HD1 LEU 2 -3.461 -5.757 14.370 20 HD21 LEU 2 3HD2 LEU 2 -5.010 -9.035 15.166 21 HD22 LEU 2 1HD2 LEU 2 -4.371 -9.175 16.804 22 HD23 LEU 2 2HD2 LEU 2 -3.300 -9.397 15.418 23 H THR 3 H THR 3 0.018 -5.420 16.368 24 HA THR 3 HA THR 3 -0.537 -3.598 14.101 25 HB THR 3 HB THR 3 2.172 -4.295 15.325 26 HG1 THR 3 HG1 THR 3 1.593 -1.776 15.766 27 HG21 THR 3 3HG2 THR 3 2.973 -2.335 14.054 28 HG22 THR 3 1HG2 THR 3 1.364 -2.102 13.375 29 HG23 THR 3 2HG2 THR 3 2.297 -3.544 12.958 30 H VAL 4 H VAL 4 -0.402 -4.382 12.065 31 HA VAL 4 HA VAL 4 0.984 -6.964 11.563 32 HB VAL 4 HB VAL 4 -1.454 -7.237 11.231 33 HG11 VAL 4 1HG1 VAL 4 -1.268 -5.061 9.124 34 HG12 VAL 4 2HG1 VAL 4 -2.069 -4.918 10.689 35 HG13 VAL 4 3HG1 VAL 4 -2.694 -6.042 9.479 36 HG21 VAL 4 3HG2 VAL 4 -1.422 -8.165 8.929 37 HG22 VAL 4 1HG2 VAL 4 0.063 -8.557 9.799 38 HG23 VAL 4 2HG2 VAL 4 0.064 -7.276 8.587 39 H GLU 5 H GLU 5 2.563 -6.913 10.028 40 HA GLU 5 HA GLU 5 2.789 -4.581 8.215 41 HB2 GLU 5 2HB GLU 5 4.999 -6.410 9.265 42 HB3 GLU 5 3HB GLU 5 5.230 -5.170 8.038 43 HG2 GLU 5 2HG GLU 5 4.444 -3.477 9.790 44 HG3 GLU 5 3HG GLU 5 4.552 -4.788 10.960 45 H VAL 6 H VAL 6 2.977 -4.976 6.059 46 HA VAL 6 HA VAL 6 3.210 -7.768 5.109 47 HB VAL 6 HB VAL 6 0.835 -7.072 4.896 48 HG11 VAL 6 1HG1 VAL 6 0.135 -5.273 3.367 49 HG12 VAL 6 2HG1 VAL 6 1.823 -4.823 3.123 50 HG13 VAL 6 3HG1 VAL 6 1.087 -4.652 4.719 51 HG21 VAL 6 3HG2 VAL 6 0.518 -7.610 2.492 52 HG22 VAL 6 1HG2 VAL 6 1.739 -8.643 3.241 53 HG23 VAL 6 2HG2 VAL 6 2.234 -7.306 2.204 54 H GLU 7 H GLU 7 4.883 -8.008 3.786 55 HA GLU 7 HA GLU 7 6.285 -5.762 2.552 56 HB2 GLU 7 2HB GLU 7 7.597 -7.593 3.618 57 HB3 GLU 7 3HB GLU 7 6.857 -8.768 2.535 58 HG2 GLU 7 2HG GLU 7 7.864 -7.422 0.603 59 HG3 GLU 7 3HG GLU 7 8.793 -6.544 1.820 60 H VAL 8 H VAL 8 5.617 -5.120 0.624 61 HA VAL 8 HA VAL 8 4.312 -6.958 -1.290 62 HB VAL 8 HB VAL 8 3.768 -3.974 -0.811 63 HG11 VAL 8 1HG1 VAL 8 2.464 -5.847 -2.815 64 HG12 VAL 8 2HG1 VAL 8 3.570 -4.525 -3.191 65 HG13 VAL 8 3HG1 VAL 8 1.986 -4.174 -2.499 66 HG21 VAL 8 3HG2 VAL 8 1.510 -4.671 -0.072 67 HG22 VAL 8 1HG2 VAL 8 2.763 -5.387 0.947 68 HG23 VAL 8 2HG2 VAL 8 1.956 -6.369 -0.278 69 H LYS 9 H LYS 9 5.949 -7.407 -2.714 70 HA LYS 9 HA LYS 9 7.876 -5.355 -3.512 71 HB2 LYS 9 2HB LYS 9 7.688 -8.350 -3.917 72 HB3 LYS 9 3HB LYS 9 8.685 -7.413 -5.027 73 HG2 LYS 9 2HG LYS 9 10.001 -6.546 -3.118 74 HG3 LYS 9 3HG LYS 9 9.015 -7.500 -2.004 75 HD2 LYS 9 2HD LYS 9 9.850 -9.576 -2.914 76 HD3 LYS 9 3HD LYS 9 10.642 -8.746 -4.258 77 HE2 LYS 9 2HE LYS 9 12.262 -9.452 -2.529 78 HE3 LYS 9 3HE LYS 9 12.227 -7.700 -2.701 79 HZ1 LYS 9 3HZ LYS 9 12.299 -8.423 -0.378 80 HZ2 LYS 9 1HZ LYS 9 10.826 -9.231 -0.564 81 HZ3 LYS 9 2HZ LYS 9 10.896 -7.546 -0.707 82 H ILE 10 H ILE 10 7.246 -3.968 -4.925 83 HA ILE 10 HA ILE 10 5.148 -4.509 -6.907 84 HB ILE 10 HB ILE 10 6.435 -1.872 -6.030 85 HG12 ILE 10 2HG1 ILE 10 3.755 -3.079 -5.203 86 HG13 ILE 10 3HG1 ILE 10 5.171 -2.921 -4.177 87 HG21 ILE 10 1HG2 ILE 10 3.972 -2.328 -7.750 88 HG22 ILE 10 2HG2 ILE 10 5.539 -1.741 -8.317 89 HG23 ILE 10 3HG2 ILE 10 4.577 -0.761 -7.210 90 HD11 ILE 10 3HD1 ILE 10 4.975 -0.464 -4.336 91 HD12 ILE 10 1HD1 ILE 10 3.565 -1.243 -3.619 92 HD13 ILE 10 2HD1 ILE 10 3.498 -0.671 -5.285 93 H THR 11 H THR 11 5.822 -4.997 -8.927 94 HA THR 11 HA THR 11 8.517 -4.167 -9.839 95 HB THR 11 HB THR 11 7.958 -6.550 -10.163 96 HG1 THR 11 HG1 THR 11 7.996 -5.397 -12.746 97 HG21 THR 11 3HG2 THR 11 5.517 -6.433 -10.541 98 HG22 THR 11 1HG2 THR 11 6.323 -7.276 -11.864 99 HG23 THR 11 2HG2 THR 11 5.784 -5.610 -12.078 100 H ALA 12 H ALA 12 8.820 -2.738 -11.479 101 HA ALA 12 HA ALA 12 6.895 -1.982 -13.445 102 HB1 ALA 12 3HB ALA 12 6.613 0.399 -12.813 103 HB2 ALA 12 1HB ALA 12 7.499 0.108 -11.311 104 HB3 ALA 12 2HB ALA 12 5.935 -0.662 -11.576 105 H ASP 13 H ASP 13 7.855 -0.691 -15.076 106 HA ASP 13 HA ASP 13 10.663 -0.962 -15.441 107 HB2 ASP 13 2HB ASP 13 9.045 -0.902 -17.330 108 HB3 ASP 13 3HB ASP 13 8.662 0.774 -16.963 109 H ASP 14 H ASP 14 8.600 1.712 -14.488 110 HA ASP 14 HA ASP 14 10.911 3.458 -13.910 111 HB2 ASP 14 2HB ASP 14 7.900 4.015 -13.987 112 HB3 ASP 14 3HB ASP 14 9.102 5.195 -13.471 113 H GLU 15 H GLU 15 11.631 2.258 -12.043 114 HA GLU 15 HA GLU 15 10.029 1.478 -9.873 115 HB2 GLU 15 2HB GLU 15 12.060 1.085 -8.636 116 HB3 GLU 15 3HB GLU 15 12.374 0.671 -10.311 117 HG2 GLU 15 2HG GLU 15 13.256 3.226 -8.944 118 HG3 GLU 15 3HG GLU 15 14.274 1.820 -9.218 119 H ASN 16 H ASN 16 11.562 4.567 -10.528 120 HA ASN 16 HA ASN 16 11.281 5.685 -7.898 121 HB2 ASN 16 2HB ASN 16 13.039 6.449 -9.502 122 HB3 ASN 16 3HB ASN 16 11.792 7.112 -10.551 123 HD21 ASN 16 1HD2 ASN 16 10.709 9.001 -9.907 124 HD22 ASN 16 2HD2 ASN 16 11.332 10.028 -8.670 125 H LYS 17 H LYS 17 9.533 5.940 -10.978 126 HA LYS 17 HA LYS 17 7.527 7.735 -9.996 127 HB2 LYS 17 2HB LYS 17 8.184 6.521 -12.597 128 HB3 LYS 17 3HB LYS 17 6.453 6.479 -12.315 129 HG2 LYS 17 2HG LYS 17 8.177 8.977 -12.192 130 HG3 LYS 17 3HG LYS 17 7.166 8.489 -13.559 131 HD2 LYS 17 2HD LYS 17 5.142 8.682 -12.178 132 HD3 LYS 17 3HD LYS 17 6.117 9.078 -10.759 133 HE2 LYS 17 2HE LYS 17 5.879 10.760 -13.277 134 HE3 LYS 17 3HE LYS 17 5.107 11.090 -11.726 135 HZ1 LYS 17 3HZ LYS 17 7.328 11.258 -10.736 136 HZ2 LYS 17 1HZ LYS 17 7.083 12.407 -11.950 137 HZ3 LYS 17 2HZ LYS 17 8.021 11.037 -12.258 138 H ALA 18 H ALA 18 7.866 4.234 -10.179 139 HA ALA 18 HA ALA 18 5.219 3.450 -9.634 140 HB1 ALA 18 3HB ALA 18 6.184 1.337 -8.803 141 HB2 ALA 18 1HB ALA 18 7.796 2.071 -8.796 142 HB3 ALA 18 2HB ALA 18 6.938 1.835 -10.316 143 H GLU 19 H GLU 19 7.955 4.188 -7.489 144 HA GLU 19 HA GLU 19 6.702 3.917 -5.007 145 HB2 GLU 19 2HB GLU 19 9.153 4.202 -5.256 146 HB3 GLU 19 3HB GLU 19 8.917 5.866 -5.789 147 HG2 GLU 19 2HG GLU 19 7.826 6.340 -3.563 148 HG3 GLU 19 3HG GLU 19 8.295 4.726 -3.046 149 H GLU 20 H GLU 20 7.061 6.820 -7.080 150 HA GLU 20 HA GLU 20 5.876 8.716 -5.405 151 HB2 GLU 20 2HB GLU 20 5.998 8.635 -8.444 152 HB3 GLU 20 3HB GLU 20 5.523 10.053 -7.512 153 HG2 GLU 20 2HG GLU 20 7.764 10.085 -6.431 154 HG3 GLU 20 3HG GLU 20 8.235 8.693 -7.404 155 H ILE 21 H ILE 21 4.343 6.736 -7.935 156 HA ILE 21 HA ILE 21 1.727 7.759 -7.833 157 HB ILE 21 HB ILE 21 2.785 5.007 -8.639 158 HG12 ILE 21 2HG1 ILE 21 1.772 7.295 -10.398 159 HG13 ILE 21 3HG1 ILE 21 3.470 6.966 -10.073 160 HG21 ILE 21 1HG2 ILE 21 0.597 4.551 -9.718 161 HG22 ILE 21 2HG2 ILE 21 -0.049 6.030 -9.008 162 HG23 ILE 21 3HG2 ILE 21 0.452 4.700 -7.962 163 HD11 ILE 21 3HD1 ILE 21 3.219 4.761 -11.149 164 HD12 ILE 21 1HD1 ILE 21 2.870 6.108 -12.232 165 HD13 ILE 21 2HD1 ILE 21 1.545 5.168 -11.543 166 H VAL 22 H VAL 22 3.190 4.916 -6.257 167 HA VAL 22 HA VAL 22 0.896 4.058 -4.853 168 HB VAL 22 HB VAL 22 3.859 3.471 -4.420 169 HG11 VAL 22 1HG1 VAL 22 1.490 2.034 -3.170 170 HG12 VAL 22 2HG1 VAL 22 2.679 3.012 -2.312 171 HG13 VAL 22 3HG1 VAL 22 3.170 1.505 -3.084 172 HG21 VAL 22 3HG2 VAL 22 1.666 1.839 -5.757 173 HG22 VAL 22 1HG2 VAL 22 3.363 1.370 -5.607 174 HG23 VAL 22 2HG2 VAL 22 2.913 2.760 -6.597 175 H LYS 23 H LYS 23 3.532 6.258 -3.916 176 HA LYS 23 HA LYS 23 3.012 6.582 -1.170 177 HB2 LYS 23 2HB LYS 23 4.211 8.499 -3.219 178 HB3 LYS 23 3HB LYS 23 4.079 8.921 -1.515 179 HG2 LYS 23 2HG LYS 23 5.598 7.128 -0.893 180 HG3 LYS 23 3HG LYS 23 5.625 6.529 -2.555 181 HD2 LYS 23 2HD LYS 23 7.663 7.786 -2.150 182 HD3 LYS 23 3HD LYS 23 6.660 8.680 -3.292 183 HE2 LYS 23 2HE LYS 23 7.578 10.262 -1.740 184 HE3 LYS 23 3HE LYS 23 5.869 10.091 -1.338 185 HZ1 LYS 23 3HZ LYS 23 8.134 8.769 0.056 186 HZ2 LYS 23 1HZ LYS 23 6.505 8.564 0.441 187 HZ3 LYS 23 2HZ LYS 23 7.236 10.076 0.638 188 H ARG 24 H ARG 24 1.900 8.478 -3.987 189 HA ARG 24 HA ARG 24 0.359 10.391 -2.643 190 HB2 ARG 24 2HB ARG 24 1.039 10.578 -5.035 191 HB3 ARG 24 3HB ARG 24 -0.070 9.274 -5.448 192 HG2 ARG 24 2HG ARG 24 -1.967 10.733 -4.611 193 HG3 ARG 24 3HG ARG 24 -0.801 12.049 -4.439 194 HD2 ARG 24 2HD ARG 24 -1.456 10.591 -7.019 195 HD3 ARG 24 3HD ARG 24 -2.076 12.179 -6.565 196 HE ARG 24 HE ARG 24 0.272 12.976 -6.634 197 HH11 ARG 24 1HH1 ARG 24 -0.499 10.039 -8.416 198 HH12 ARG 24 2HH1 ARG 24 0.811 10.244 -9.535 199 HH21 ARG 24 1HH2 ARG 24 1.921 13.259 -8.137 200 HH22 ARG 24 2HH2 ARG 24 2.183 12.072 -9.375 201 H VAL 25 H VAL 25 -0.573 7.256 -4.063 202 HA VAL 25 HA VAL 25 -3.332 7.356 -3.584 203 HB VAL 25 HB VAL 25 -1.541 4.887 -3.733 204 HG11 VAL 25 1HG1 VAL 25 -4.559 5.094 -4.069 205 HG12 VAL 25 2HG1 VAL 25 -3.720 4.369 -2.696 206 HG13 VAL 25 3HG1 VAL 25 -3.587 3.637 -4.293 207 HG21 VAL 25 3HG2 VAL 25 -1.402 6.286 -5.766 208 HG22 VAL 25 1HG2 VAL 25 -3.156 6.238 -5.931 209 HG23 VAL 25 2HG2 VAL 25 -2.209 4.754 -6.103 210 H ILE 26 H ILE 26 -0.726 5.819 -1.642 211 HA ILE 26 HA ILE 26 -2.282 4.690 0.389 212 HB ILE 26 HB ILE 26 0.578 5.754 0.565 213 HG12 ILE 26 2HG1 ILE 26 -0.353 2.859 0.344 214 HG13 ILE 26 3HG1 ILE 26 0.113 3.834 -1.047 215 HG21 ILE 26 1HG2 ILE 26 0.847 4.366 2.627 216 HG22 ILE 26 2HG2 ILE 26 -0.877 3.998 2.590 217 HG23 ILE 26 3HG2 ILE 26 -0.339 5.658 2.848 218 HD11 ILE 26 3HD1 ILE 26 2.345 4.109 -0.112 219 HD12 ILE 26 1HD1 ILE 26 1.926 2.413 -0.340 220 HD13 ILE 26 2HD1 ILE 26 1.886 3.115 1.276 221 H ASP 27 H ASP 27 -0.794 7.904 0.141 222 HA ASP 27 HA ASP 27 -1.257 8.730 2.794 223 HB2 ASP 27 2HB ASP 27 0.419 9.747 1.167 224 HB3 ASP 27 3HB ASP 27 -0.921 10.577 0.382 225 H GLU 28 H GLU 28 -3.139 9.140 -0.169 226 HA GLU 28 HA GLU 28 -5.160 10.830 0.968 227 HB2 GLU 28 2HB GLU 28 -5.150 9.199 -1.600 228 HB3 GLU 28 3HB GLU 28 -6.378 10.387 -1.168 229 HG2 GLU 28 2HG GLU 28 -4.637 12.164 -1.136 230 HG3 GLU 28 3HG GLU 28 -3.430 10.969 -1.606 231 H VAL 29 H VAL 29 -5.040 7.341 0.147 232 HA VAL 29 HA VAL 29 -7.605 6.650 1.096 233 HB VAL 29 HB VAL 29 -5.094 4.912 0.846 234 HG11 VAL 29 1HG1 VAL 29 -6.586 2.939 0.912 235 HG12 VAL 29 2HG1 VAL 29 -7.967 3.984 1.248 236 HG13 VAL 29 3HG1 VAL 29 -6.663 3.845 2.427 237 HG21 VAL 29 3HG2 VAL 29 -6.118 4.129 -1.272 238 HG22 VAL 29 1HG2 VAL 29 -5.860 5.876 -1.294 239 HG23 VAL 29 2HG2 VAL 29 -7.478 5.228 -1.023 240 H GLU 30 H GLU 30 -4.518 7.035 2.738 241 HA GLU 30 HA GLU 30 -5.078 5.620 5.143 242 HB2 GLU 30 2HB GLU 30 -2.766 6.063 4.413 243 HB3 GLU 30 3HB GLU 30 -3.015 7.796 4.574 244 HG2 GLU 30 2HG GLU 30 -3.323 7.495 7.035 245 HG3 GLU 30 3HG GLU 30 -2.989 5.775 6.838 246 H ARG 31 H ARG 31 -5.188 9.085 4.294 247 HA ARG 31 HA ARG 31 -5.914 10.010 6.896 248 HB2 ARG 31 2HB ARG 31 -6.413 12.179 5.800 249 HB3 ARG 31 3HB ARG 31 -4.850 11.539 5.313 250 HG2 ARG 31 2HG ARG 31 -5.798 10.800 3.164 251 HG3 ARG 31 3HG ARG 31 -7.387 11.391 3.649 252 HD2 ARG 31 2HD ARG 31 -6.369 12.983 2.134 253 HD3 ARG 31 3HD ARG 31 -6.465 13.702 3.742 254 HE ARG 31 HE ARG 31 -3.907 12.468 3.092 255 HH11 ARG 31 1HH1 ARG 31 -5.800 15.451 3.006 256 HH12 ARG 31 2HH1 ARG 31 -4.403 16.475 2.905 257 HH21 ARG 31 1HH2 ARG 31 -2.085 13.852 2.985 258 HH22 ARG 31 2HH2 ARG 31 -2.296 15.556 2.892 259 H GLU 32 H GLU 32 -7.724 8.759 4.189 260 HA GLU 32 HA GLU 32 -10.346 9.428 5.236 261 HB2 GLU 32 2HB GLU 32 -9.503 7.614 2.939 262 HB3 GLU 32 3HB GLU 32 -11.166 8.069 3.310 263 HG2 GLU 32 2HG GLU 32 -10.636 10.444 2.873 264 HG3 GLU 32 3HG GLU 32 -8.958 10.017 2.555 265 H VAL 33 H VAL 33 -8.130 6.701 5.404 266 HA VAL 33 HA VAL 33 -9.919 4.865 6.699 267 HB VAL 33 HB VAL 33 -6.868 4.978 6.539 268 HG11 VAL 33 1HG1 VAL 33 -8.511 2.789 7.870 269 HG12 VAL 33 2HG1 VAL 33 -7.402 3.897 8.684 270 HG13 VAL 33 3HG1 VAL 33 -6.779 2.710 7.537 271 HG21 VAL 33 3HG2 VAL 33 -8.032 4.346 4.447 272 HG22 VAL 33 1HG2 VAL 33 -8.845 3.029 5.293 273 HG23 VAL 33 2HG2 VAL 33 -7.091 2.999 5.087 274 H GLN 34 H GLN 34 -7.943 7.592 7.768 275 HA GLN 34 HA GLN 34 -8.078 7.028 10.571 276 HB2 GLN 34 2HB GLN 34 -7.723 9.755 9.256 277 HB3 GLN 34 3HB GLN 34 -7.374 9.357 10.932 278 HG2 GLN 34 2HG GLN 34 -5.863 8.509 8.460 279 HG3 GLN 34 3HG GLN 34 -5.285 9.477 9.805 280 HE21 GLN 34 1HE2 GLN 34 -5.831 6.262 8.613 281 HE22 GLN 34 2HE2 GLN 34 -5.069 5.421 9.918 282 H LYS 35 H LYS 35 -10.269 8.475 8.276 283 HA LYS 35 HA LYS 35 -12.022 9.806 10.129 284 HB2 LYS 35 2HB LYS 35 -12.593 8.863 7.277 285 HB3 LYS 35 3HB LYS 35 -13.544 10.031 8.191 286 HG2 LYS 35 2HG LYS 35 -11.690 11.633 8.152 287 HG3 LYS 35 3HG LYS 35 -10.657 10.448 7.348 288 HD2 LYS 35 2HD LYS 35 -11.490 12.057 5.702 289 HD3 LYS 35 3HD LYS 35 -12.180 10.465 5.379 290 HE2 LYS 35 2HE LYS 35 -14.281 11.165 6.484 291 HE3 LYS 35 3HE LYS 35 -13.582 12.756 6.795 292 HZ1 LYS 35 3HZ LYS 35 -13.989 11.586 4.099 293 HZ2 LYS 35 1HZ LYS 35 -13.423 13.137 4.445 294 HZ3 LYS 35 2HZ LYS 35 -15.012 12.717 4.828 295 H GLN 36 H GLN 36 -11.996 6.709 8.414 296 HA GLN 36 HA GLN 36 -14.516 5.751 9.419 297 HB2 GLN 36 2HB GLN 36 -12.245 4.374 7.907 298 HB3 GLN 36 3HB GLN 36 -13.781 3.606 8.280 299 HG2 GLN 36 2HG GLN 36 -13.448 6.078 6.558 300 HG3 GLN 36 3HG GLN 36 -13.674 4.436 5.953 301 HE21 GLN 36 1HE2 GLN 36 -15.715 3.428 6.244 302 HE22 GLN 36 2HE2 GLN 36 -17.144 4.346 6.560 303 H TYR 37 H TYR 37 -11.133 4.807 9.946 304 HA TYR 37 HA TYR 37 -11.782 3.557 12.548 305 HB2 TYR 37 2HB TYR 37 -9.305 3.097 10.833 306 HB3 TYR 37 3HB TYR 37 -9.765 2.208 12.271 307 HD1 TYR 37 HD1 TYR 37 -11.696 0.573 12.151 308 HD2 TYR 37 HD2 TYR 37 -10.126 2.460 8.650 309 HE1 TYR 37 HE1 TYR 37 -12.682 -1.182 10.754 310 HE2 TYR 37 HE2 TYR 37 -11.130 0.699 7.250 311 HH TYR 37 HH TYR 37 -11.851 -1.685 7.532 312 HA PRO 38 HA PRO 38 -9.777 7.614 13.628 313 HB2 PRO 38 2HB PRO 38 -10.649 6.715 16.373 314 HB3 PRO 38 3HB PRO 38 -10.873 8.285 15.568 315 HG2 PRO 38 2HG PRO 38 -12.929 6.646 15.774 316 HG3 PRO 38 3HG PRO 38 -12.650 7.512 14.242 317 HD2 PRO 38 2HD PRO 38 -11.994 4.643 14.927 318 HD3 PRO 38 3HD PRO 38 -12.746 5.307 13.456 319 H ASN 39 H ASN 39 -9.182 4.548 15.387 320 HA ASN 39 HA ASN 39 -6.579 5.584 16.374 321 HB2 ASN 39 2HB ASN 39 -8.322 3.326 17.461 322 HB3 ASN 39 3HB ASN 39 -6.723 3.730 18.083 323 HD21 ASN 39 1HD2 ASN 39 -9.403 3.801 19.389 324 HD22 ASN 39 2HD2 ASN 39 -9.546 5.406 20.017 325 H ALA 40 H ALA 40 -7.550 3.925 13.778 326 HA ALA 40 HA ALA 40 -5.504 1.836 13.803 327 HB1 ALA 40 3HB ALA 40 -7.610 1.395 12.609 328 HB2 ALA 40 1HB ALA 40 -6.239 1.360 11.497 329 HB3 ALA 40 2HB ALA 40 -7.308 2.765 11.540 330 H THR 41 H THR 41 -3.457 2.547 13.692 331 HA THR 41 HA THR 41 -2.769 5.010 12.229 332 HB THR 41 HB THR 41 -1.142 3.386 14.241 333 HG1 THR 41 HG1 THR 41 -3.153 5.165 14.603 334 HG21 THR 41 3HG2 THR 41 0.292 5.405 14.390 335 HG22 THR 41 1HG2 THR 41 -0.642 6.159 13.097 336 HG23 THR 41 2HG2 THR 41 0.317 4.713 12.767 337 H ILE 42 H ILE 42 -2.106 4.654 10.197 338 HA ILE 42 HA ILE 42 -0.775 2.149 9.404 339 HB ILE 42 HB ILE 42 -1.677 4.476 7.638 340 HG12 ILE 42 2HG1 ILE 42 -3.148 1.842 8.118 341 HG13 ILE 42 3HG1 ILE 42 -3.594 3.373 8.865 342 HG21 ILE 42 1HG2 ILE 42 -1.476 2.858 5.763 343 HG22 ILE 42 2HG2 ILE 42 -0.871 1.637 6.884 344 HG23 ILE 42 3HG2 ILE 42 0.074 3.098 6.581 345 HD11 ILE 42 3HD1 ILE 42 -4.047 4.323 6.675 346 HD12 ILE 42 1HD1 ILE 42 -4.997 2.874 6.973 347 HD13 ILE 42 2HD1 ILE 42 -3.596 2.798 5.907 348 H THR 43 H THR 43 1.311 2.118 8.682 349 HA THR 43 HA THR 43 2.926 4.585 8.607 350 HB THR 43 HB THR 43 3.686 1.936 9.948 351 HG1 THR 43 HG1 THR 43 2.297 3.913 10.924 352 HG21 THR 43 3HG2 THR 43 5.649 3.004 8.886 353 HG22 THR 43 1HG2 THR 43 5.754 3.090 10.646 354 HG23 THR 43 2HG2 THR 43 5.288 4.518 9.722 355 H ARG 44 H ARG 44 3.507 4.692 6.501 356 HA ARG 44 HA ARG 44 3.877 2.211 4.936 357 HB2 ARG 44 2HB ARG 44 3.342 3.395 2.970 358 HB3 ARG 44 3HB ARG 44 2.242 4.079 4.150 359 HG2 ARG 44 2HG ARG 44 4.828 5.402 3.262 360 HG3 ARG 44 3HG ARG 44 3.253 5.733 2.554 361 HD2 ARG 44 2HD ARG 44 3.779 6.128 5.507 362 HD3 ARG 44 3HD ARG 44 4.144 7.381 4.327 363 HE ARG 44 HE ARG 44 1.446 6.312 4.935 364 HH11 ARG 44 1HH1 ARG 44 3.483 8.941 3.743 365 HH12 ARG 44 2HH1 ARG 44 2.142 10.028 3.547 366 HH21 ARG 44 1HH2 ARG 44 -0.259 7.756 4.642 367 HH22 ARG 44 2HH2 ARG 44 0.042 9.361 4.055 368 H THR 45 H THR 45 5.789 1.792 3.901 369 HA THR 45 HA THR 45 7.992 3.735 4.016 370 HB THR 45 HB THR 45 8.349 0.827 4.931 371 HG1 THR 45 HG1 THR 45 7.574 3.061 6.337 372 HG21 THR 45 3HG2 THR 45 10.239 3.204 5.061 373 HG22 THR 45 1HG2 THR 45 10.370 1.859 3.921 374 HG23 THR 45 2HG2 THR 45 10.581 1.577 5.651 375 H LEU 46 H LEU 46 8.381 3.990 1.869 376 HA LEU 46 HA LEU 46 8.406 1.604 0.101 377 HB2 LEU 46 2HB LEU 46 8.101 4.545 -0.624 378 HB3 LEU 46 3HB LEU 46 8.236 3.232 -1.778 379 HG LEU 46 HG LEU 46 6.082 2.279 -0.607 380 HD11 LEU 46 1HD1 LEU 46 4.559 3.959 0.314 381 HD12 LEU 46 2HD1 LEU 46 5.821 5.190 0.207 382 HD13 LEU 46 3HD1 LEU 46 6.016 3.815 1.298 383 HD21 LEU 46 3HD2 LEU 46 5.963 4.697 -2.421 384 HD22 LEU 46 1HD2 LEU 46 4.646 3.557 -2.137 385 HD23 LEU 46 2HD2 LEU 46 6.129 3.009 -2.912 386 H THR 47 H THR 47 10.308 0.924 -0.555 387 HA THR 47 HA THR 47 12.575 2.785 -0.928 388 HB THR 47 HB THR 47 12.795 0.055 0.445 389 HG1 THR 47 HG1 THR 47 12.396 2.584 1.444 390 HG21 THR 47 3HG2 THR 47 15.152 0.645 0.830 391 HG22 THR 47 1HG2 THR 47 14.932 2.166 -0.035 392 HG23 THR 47 2HG2 THR 47 14.805 0.632 -0.901 393 H ARG 48 H ARG 48 13.433 2.493 -2.958 394 HA ARG 48 HA ARG 48 12.482 0.255 -4.578 395 HB2 ARG 48 2HB ARG 48 14.394 2.499 -5.408 396 HB3 ARG 48 3HB ARG 48 13.655 1.316 -6.477 397 HG2 ARG 48 2HG ARG 48 12.298 3.154 -6.863 398 HG3 ARG 48 3HG ARG 48 11.384 2.332 -5.595 399 HD2 ARG 48 2HD ARG 48 11.491 4.723 -5.147 400 HD3 ARG 48 3HD ARG 48 12.396 3.840 -3.911 401 HE ARG 48 HE ARG 48 14.158 4.585 -5.969 402 HH11 ARG 48 1HH1 ARG 48 12.323 6.168 -3.395 403 HH12 ARG 48 2HH1 ARG 48 13.437 7.492 -3.266 404 HH21 ARG 48 1HH2 ARG 48 15.595 6.323 -5.785 405 HH22 ARG 48 2HH2 ARG 48 15.294 7.579 -4.624 406 H ASP 49 H ASP 49 13.420 -1.520 -3.774 407 HA ASP 49 HA ASP 49 16.189 -1.838 -3.119 408 HB2 ASP 49 2HB ASP 49 14.314 -3.217 -2.147 409 HB3 ASP 49 3HB ASP 49 14.079 -3.968 -3.720 410 H ASP 50 H ASP 50 17.335 -1.111 -4.904 411 HA ASP 50 HA ASP 50 18.447 -1.106 -6.839 412 HB2 ASP 50 2HB ASP 50 18.953 -3.467 -6.410 413 HB3 ASP 50 3HB ASP 50 17.419 -3.960 -7.114 414 H GLY 51 H GLY 51 15.664 -3.079 -7.897 415 HA2 GLY 51 2HA GLY 51 14.601 -0.795 -9.478 416 HA3 GLY 51 3HA GLY 51 14.801 -2.391 -10.189 417 H THR 52 H THR 52 14.017 -3.462 -7.377 418 HA THR 52 HA THR 52 11.146 -3.648 -7.904 419 HB THR 52 HB THR 52 12.889 -5.082 -5.842 420 HG1 THR 52 HG1 THR 52 13.196 -5.458 -8.252 421 HG21 THR 52 3HG2 THR 52 11.028 -6.686 -5.668 422 HG22 THR 52 1HG2 THR 52 10.078 -5.727 -6.803 423 HG23 THR 52 2HG2 THR 52 10.486 -5.068 -5.216 424 H VAL 53 H VAL 53 9.787 -2.256 -6.900 425 HA VAL 53 HA VAL 53 10.694 -0.551 -4.714 426 HB VAL 53 HB VAL 53 7.912 -0.606 -5.999 427 HG11 VAL 53 1HG1 VAL 53 9.361 1.581 -4.459 428 HG12 VAL 53 2HG1 VAL 53 8.011 0.611 -3.866 429 HG13 VAL 53 3HG1 VAL 53 7.764 1.741 -5.201 430 HG21 VAL 53 3HG2 VAL 53 10.338 0.998 -6.869 431 HG22 VAL 53 1HG2 VAL 53 8.699 1.211 -7.488 432 HG23 VAL 53 2HG2 VAL 53 9.562 -0.302 -7.776 433 H GLU 54 H GLU 54 10.676 -1.535 -2.743 434 HA GLU 54 HA GLU 54 8.676 -3.569 -2.109 435 HB2 GLU 54 2HB GLU 54 11.097 -4.009 -1.618 436 HB3 GLU 54 3HB GLU 54 11.092 -2.664 -0.482 437 HG2 GLU 54 2HG GLU 54 9.347 -3.833 0.869 438 HG3 GLU 54 3HG GLU 54 9.412 -5.195 -0.252 439 H LEU 55 H LEU 55 6.856 -2.707 -1.463 440 HA LEU 55 HA LEU 55 6.683 -0.358 0.263 441 HB2 LEU 55 2HB LEU 55 5.111 -0.433 -1.579 442 HB3 LEU 55 3HB LEU 55 4.628 -2.077 -1.181 443 HG LEU 55 HG LEU 55 3.576 -1.264 0.921 444 HD11 LEU 55 1HD1 LEU 55 4.980 0.669 1.370 445 HD12 LEU 55 2HD1 LEU 55 3.279 1.121 1.353 446 HD13 LEU 55 3HD1 LEU 55 4.306 1.513 -0.026 447 HD21 LEU 55 3HD2 LEU 55 2.570 0.167 -1.555 448 HD22 LEU 55 1HD2 LEU 55 1.643 -0.137 -0.083 449 HD23 LEU 55 2HD2 LEU 55 2.188 -1.488 -1.073 450 H ARG 56 H ARG 56 6.591 -0.622 2.414 451 HA ARG 56 HA ARG 56 5.553 -3.128 3.587 452 HB2 ARG 56 2HB ARG 56 7.599 -1.138 4.655 453 HB3 ARG 56 3HB ARG 56 6.852 -2.381 5.657 454 HG2 ARG 56 2HG ARG 56 7.832 -4.152 4.333 455 HG3 ARG 56 3HG ARG 56 8.440 -2.999 3.140 456 HD2 ARG 56 2HD ARG 56 10.199 -3.822 4.682 457 HD3 ARG 56 3HD ARG 56 9.988 -2.070 4.758 458 HE ARG 56 HE ARG 56 8.384 -3.104 6.763 459 HH11 ARG 56 1HH1 ARG 56 11.824 -3.166 6.040 460 HH12 ARG 56 2HH1 ARG 56 12.289 -3.282 7.707 461 HH21 ARG 56 1HH2 ARG 56 9.000 -3.264 8.947 462 HH22 ARG 56 2HH2 ARG 56 10.694 -3.339 9.355 463 H ILE 57 H ILE 57 3.471 -2.812 4.024 464 HA ILE 57 HA ILE 57 2.537 -0.224 5.123 465 HB ILE 57 HB ILE 57 0.966 -2.602 4.021 466 HG12 ILE 57 2HG1 ILE 57 1.997 -1.073 2.314 467 HG13 ILE 57 3HG1 ILE 57 0.239 -1.079 2.248 468 HG21 ILE 57 1HG2 ILE 57 -0.141 -0.059 5.262 469 HG22 ILE 57 2HG2 ILE 57 -0.291 -1.693 5.912 470 HG23 ILE 57 3HG2 ILE 57 -1.097 -1.269 4.401 471 HD11 ILE 57 3HD1 ILE 57 1.127 1.152 1.951 472 HD12 ILE 57 1HD1 ILE 57 1.957 1.067 3.503 473 HD13 ILE 57 2HD1 ILE 57 0.190 1.070 3.441 474 H LYS 58 H LYS 58 2.533 -0.067 7.229 475 HA LYS 58 HA LYS 58 2.258 -2.436 8.982 476 HB2 LYS 58 2HB LYS 58 4.465 -1.341 9.092 477 HB3 LYS 58 3HB LYS 58 3.714 0.228 9.360 478 HG2 LYS 58 2HG LYS 58 2.931 -0.489 11.565 479 HG3 LYS 58 3HG LYS 58 3.569 -2.114 11.290 480 HD2 LYS 58 2HD LYS 58 5.874 -1.159 11.144 481 HD3 LYS 58 3HD LYS 58 5.215 0.446 11.472 482 HE2 LYS 58 2HE LYS 58 4.449 -0.325 13.688 483 HE3 LYS 58 3HE LYS 58 5.089 -1.935 13.352 484 HZ1 LYS 58 3HZ LYS 58 6.606 -0.638 14.709 485 HZ2 LYS 58 1HZ LYS 58 6.698 0.558 13.519 486 HZ3 LYS 58 2HZ LYS 58 7.305 -0.985 13.213 487 H VAL 59 H VAL 59 0.073 -2.462 9.424 488 HA VAL 59 HA VAL 59 -1.274 0.067 10.198 489 HB VAL 59 HB VAL 59 -2.590 -2.556 9.323 490 HG11 VAL 59 1HG1 VAL 59 -4.693 -1.259 9.282 491 HG12 VAL 59 2HG1 VAL 59 -3.839 0.166 9.880 492 HG13 VAL 59 3HG1 VAL 59 -3.989 -1.267 10.901 493 HG21 VAL 59 3HG2 VAL 59 -1.446 -1.461 7.435 494 HG22 VAL 59 1HG2 VAL 59 -2.301 0.046 7.776 495 HG23 VAL 59 2HG2 VAL 59 -3.199 -1.381 7.245 496 H LYS 60 H LYS 60 -1.084 0.282 12.340 497 HA LYS 60 HA LYS 60 -1.527 -1.880 14.239 498 HB2 LYS 60 2HB LYS 60 0.088 0.025 14.673 499 HB3 LYS 60 3HB LYS 60 -1.270 1.143 14.644 500 HG2 LYS 60 2HG LYS 60 -2.247 -0.141 16.605 501 HG3 LYS 60 3HG LYS 60 -0.727 -1.036 16.678 502 HD2 LYS 60 2HD LYS 60 -0.646 0.770 18.309 503 HD3 LYS 60 3HD LYS 60 0.489 1.147 17.011 504 HE2 LYS 60 2HE LYS 60 -1.213 2.664 16.003 505 HE3 LYS 60 3HE LYS 60 -2.308 2.298 17.337 506 HZ1 LYS 60 3HZ LYS 60 -0.670 3.242 18.867 507 HZ2 LYS 60 1HZ LYS 60 -1.182 4.376 17.722 508 HZ3 LYS 60 2HZ LYS 60 0.336 3.646 17.571 509 H ALA 61 H ALA 61 -3.632 -2.529 14.392 510 HA ALA 61 HA ALA 61 -5.845 -0.617 14.675 511 HB1 ALA 61 3HB ALA 61 -7.222 -1.760 12.978 512 HB2 ALA 61 1HB ALA 61 -5.874 -2.832 12.582 513 HB3 ALA 61 2HB ALA 61 -5.760 -1.106 12.238 514 H ASP 62 H ASP 62 -7.941 -2.058 15.095 515 HA ASP 62 HA ASP 62 -7.472 -3.367 17.553 516 HB2 ASP 62 2HB ASP 62 -9.575 -2.150 16.965 517 HB3 ASP 62 3HB ASP 62 -9.996 -3.426 15.828 518 H THR 63 H THR 63 -8.961 -4.800 14.629 519 HA THR 63 HA THR 63 -8.098 -7.510 15.465 520 HB THR 63 HB THR 63 -10.306 -6.689 13.519 521 HG1 THR 63 HG1 THR 63 -10.554 -6.278 15.900 522 HG21 THR 63 3HG2 THR 63 -9.700 -9.437 14.693 523 HG22 THR 63 1HG2 THR 63 -9.412 -8.957 13.015 524 HG23 THR 63 2HG2 THR 63 -11.060 -9.035 13.642 525 H GLU 64 H GLU 64 -7.020 -8.861 14.003 526 HA GLU 64 HA GLU 64 -5.240 -7.783 12.148 527 HB2 GLU 64 2HB GLU 64 -4.849 -10.148 11.401 528 HB3 GLU 64 3HB GLU 64 -4.747 -9.923 13.143 529 HG2 GLU 64 2HG GLU 64 -6.878 -10.973 13.490 530 HG3 GLU 64 3HG GLU 64 -7.228 -10.979 11.763 531 H GLU 65 H GLU 65 -8.396 -9.371 11.579 532 HA GLU 65 HA GLU 65 -8.359 -9.468 8.776 533 HB2 GLU 65 2HB GLU 65 -9.966 -10.703 10.225 534 HB3 GLU 65 3HB GLU 65 -10.772 -9.193 10.629 535 HG2 GLU 65 2HG GLU 65 -11.369 -8.918 8.206 536 HG3 GLU 65 3HG GLU 65 -10.636 -10.486 7.879 537 H LYS 66 H LYS 66 -9.443 -6.914 10.980 538 HA LYS 66 HA LYS 66 -10.601 -5.239 8.950 539 HB2 LYS 66 2HB LYS 66 -9.801 -4.491 11.798 540 HB3 LYS 66 3HB LYS 66 -10.890 -3.593 10.744 541 HG2 LYS 66 2HG LYS 66 -12.392 -5.672 10.729 542 HG3 LYS 66 3HG LYS 66 -11.365 -6.302 12.019 543 HD2 LYS 66 2HD LYS 66 -13.340 -5.275 13.011 544 HD3 LYS 66 3HD LYS 66 -11.929 -4.290 13.405 545 HE2 LYS 66 2HE LYS 66 -12.521 -2.684 11.667 546 HE3 LYS 66 3HE LYS 66 -13.868 -3.696 11.143 547 HZ1 LYS 66 3HZ LYS 66 -14.966 -3.321 13.215 548 HZ2 LYS 66 1HZ LYS 66 -14.540 -1.821 12.565 549 HZ3 LYS 66 2HZ LYS 66 -13.649 -2.474 13.844 550 H ALA 67 H ALA 67 -7.504 -5.376 10.645 551 HA ALA 67 HA ALA 67 -6.305 -3.047 9.572 552 HB1 ALA 67 3HB ALA 67 -5.430 -4.228 11.547 553 HB2 ALA 67 1HB ALA 67 -4.182 -4.059 10.312 554 HB3 ALA 67 2HB ALA 67 -4.996 -5.611 10.541 555 H LYS 68 H LYS 68 -6.490 -6.384 8.471 556 HA LYS 68 HA LYS 68 -4.793 -6.135 6.180 557 HB2 LYS 68 2HB LYS 68 -6.836 -8.214 7.052 558 HB3 LYS 68 3HB LYS 68 -5.910 -8.375 5.568 559 HG2 LYS 68 2HG LYS 68 -4.537 -8.043 8.248 560 HG3 LYS 68 3HG LYS 68 -5.078 -9.621 7.683 561 HD2 LYS 68 2HD LYS 68 -3.095 -7.819 6.240 562 HD3 LYS 68 3HD LYS 68 -2.682 -9.228 7.222 563 HE2 LYS 68 2HE LYS 68 -4.235 -9.223 4.610 564 HE3 LYS 68 3HE LYS 68 -2.626 -9.884 4.895 565 HZ1 LYS 68 3HZ LYS 68 -5.122 -10.907 6.155 566 HZ2 LYS 68 1HZ LYS 68 -3.576 -11.561 6.326 567 HZ3 LYS 68 2HZ LYS 68 -4.349 -11.609 4.827 568 H SER 69 H SER 69 -8.254 -5.692 6.783 569 HA SER 69 HA SER 69 -9.153 -5.548 4.105 570 HB2 SER 69 2HB SER 69 -10.260 -4.186 6.605 571 HB3 SER 69 3HB SER 69 -11.110 -4.325 5.060 572 HG SER 69 HG SER 69 -10.178 -6.734 5.988 573 H ILE 70 H ILE 70 -7.916 -3.105 6.358 574 HA ILE 70 HA ILE 70 -8.060 -0.795 4.775 575 HB ILE 70 HB ILE 70 -6.022 -1.604 6.904 576 HG12 ILE 70 2HG1 ILE 70 -8.487 0.191 7.168 577 HG13 ILE 70 3HG1 ILE 70 -8.443 -1.504 7.635 578 HG21 ILE 70 1HG2 ILE 70 -6.529 1.157 5.748 579 HG22 ILE 70 2HG2 ILE 70 -5.075 0.183 5.526 580 HG23 ILE 70 3HG2 ILE 70 -5.485 0.799 7.126 581 HD11 ILE 70 3HD1 ILE 70 -8.211 -0.084 9.562 582 HD12 ILE 70 1HD1 ILE 70 -6.805 0.711 8.852 583 HD13 ILE 70 2HD1 ILE 70 -6.725 -0.996 9.300 584 H ILE 71 H ILE 71 -5.435 -3.178 5.148 585 HA ILE 71 HA ILE 71 -3.560 -2.200 3.321 586 HB ILE 71 HB ILE 71 -4.140 -5.072 4.179 587 HG12 ILE 71 2HG1 ILE 71 -1.986 -3.132 5.149 588 HG13 ILE 71 3HG1 ILE 71 -3.474 -3.493 6.011 589 HG21 ILE 71 1HG2 ILE 71 -1.877 -5.676 3.372 590 HG22 ILE 71 2HG2 ILE 71 -1.693 -4.059 2.693 591 HG23 ILE 71 3HG2 ILE 71 -2.924 -5.146 2.050 592 HD11 ILE 71 3HD1 ILE 71 -1.620 -4.686 6.977 593 HD12 ILE 71 1HD1 ILE 71 -1.246 -5.436 5.424 594 HD13 ILE 71 2HD1 ILE 71 -2.757 -5.821 6.252 595 H LYS 72 H LYS 72 -6.430 -4.226 2.827 596 HA LYS 72 HA LYS 72 -5.837 -5.050 0.173 597 HB2 LYS 72 2HB LYS 72 -7.424 -6.224 1.782 598 HB3 LYS 72 3HB LYS 72 -8.577 -4.930 1.510 599 HG2 LYS 72 2HG LYS 72 -9.244 -6.818 0.202 600 HG3 LYS 72 3HG LYS 72 -8.666 -5.584 -0.913 601 HD2 LYS 72 2HD LYS 72 -6.771 -7.758 0.022 602 HD3 LYS 72 3HD LYS 72 -7.958 -8.122 -1.228 603 HE2 LYS 72 2HE LYS 72 -7.035 -6.407 -2.678 604 HE3 LYS 72 3HE LYS 72 -5.935 -5.870 -1.410 605 HZ1 LYS 72 3HZ LYS 72 -4.921 -7.313 -3.119 606 HZ2 LYS 72 1HZ LYS 72 -5.884 -8.587 -2.580 607 HZ3 LYS 72 2HZ LYS 72 -4.738 -7.893 -1.541 608 H LEU 73 H LEU 73 -7.791 -2.383 1.537 609 HA LEU 73 HA LEU 73 -8.773 -1.242 -0.839 610 HB2 LEU 73 2HB LEU 73 -8.196 -0.172 1.921 611 HB3 LEU 73 3HB LEU 73 -8.470 1.000 0.649 612 HG LEU 73 HG LEU 73 -10.736 0.055 0.248 613 HD11 LEU 73 1HD1 LEU 73 -11.755 -1.543 1.768 614 HD12 LEU 73 2HD1 LEU 73 -10.225 -1.735 2.627 615 HD13 LEU 73 3HD1 LEU 73 -10.368 -2.261 0.948 616 HD21 LEU 73 3HD2 LEU 73 -10.479 1.953 1.763 617 HD22 LEU 73 1HD2 LEU 73 -10.215 0.863 3.127 618 HD23 LEU 73 2HD2 LEU 73 -11.784 0.905 2.316 619 H ILE 74 H ILE 74 -5.741 -0.687 0.923 620 HA ILE 74 HA ILE 74 -4.558 1.256 -0.717 621 HB ILE 74 HB ILE 74 -3.259 -0.889 1.029 622 HG12 ILE 74 2HG1 ILE 74 -3.806 2.070 1.592 623 HG13 ILE 74 3HG1 ILE 74 -4.756 0.731 2.222 624 HG21 ILE 74 1HG2 ILE 74 -1.194 0.466 0.998 625 HG22 ILE 74 2HG2 ILE 74 -1.929 1.570 -0.165 626 HG23 ILE 74 3HG2 ILE 74 -1.609 -0.103 -0.625 627 HD11 ILE 74 3HD1 ILE 74 -3.287 1.565 3.922 628 HD12 ILE 74 1HD1 ILE 74 -1.881 1.358 2.874 629 HD13 ILE 74 2HD1 ILE 74 -2.766 -0.054 3.453 630 H GLU 75 H GLU 75 -4.282 -2.321 -0.849 631 HA GLU 75 HA GLU 75 -2.359 -2.517 -2.883 632 HB2 GLU 75 2HB GLU 75 -4.474 -4.497 -1.965 633 HB3 GLU 75 3HB GLU 75 -3.255 -4.886 -3.176 634 HG2 GLU 75 2HG GLU 75 -1.495 -4.289 -1.421 635 HG3 GLU 75 3HG GLU 75 -2.819 -4.234 -0.258 636 H GLU 76 H GLU 76 -5.917 -2.513 -3.118 637 HA GLU 76 HA GLU 76 -6.069 -3.081 -5.893 638 HB2 GLU 76 2HB GLU 76 -8.073 -1.563 -4.166 639 HB3 GLU 76 3HB GLU 76 -8.411 -2.224 -5.764 640 HG2 GLU 76 2HG GLU 76 -7.763 -3.785 -3.252 641 HG3 GLU 76 3HG GLU 76 -9.325 -3.671 -4.046 642 H ARG 77 H ARG 77 -5.915 -0.040 -4.091 643 HA ARG 77 HA ARG 77 -6.540 1.588 -6.388 644 HB2 ARG 77 2HB ARG 77 -5.753 2.310 -3.543 645 HB3 ARG 77 3HB ARG 77 -6.205 3.490 -4.762 646 HG2 ARG 77 2HG ARG 77 -8.036 1.282 -3.766 647 HG3 ARG 77 3HG ARG 77 -8.026 2.931 -3.144 648 HD2 ARG 77 2HD ARG 77 -9.844 2.734 -4.707 649 HD3 ARG 77 3HD ARG 77 -8.605 3.743 -5.452 650 HE ARG 77 HE ARG 77 -8.103 1.996 -6.963 651 HH11 ARG 77 1HH1 ARG 77 -10.844 1.181 -4.904 652 HH12 ARG 77 2HH1 ARG 77 -11.397 -0.104 -5.936 653 HH21 ARG 77 1HH2 ARG 77 -8.855 0.306 -8.328 654 HH22 ARG 77 2HH2 ARG 77 -10.265 -0.595 -7.876 655 H ILE 78 H ILE 78 -3.564 0.732 -4.609 656 HA ILE 78 HA ILE 78 -1.915 2.709 -5.843 657 HB ILE 78 HB ILE 78 0.058 1.438 -5.034 658 HG12 ILE 78 2HG1 ILE 78 -1.900 -0.686 -4.041 659 HG13 ILE 78 3HG1 ILE 78 -0.803 -0.885 -5.397 660 HG21 ILE 78 1HG2 ILE 78 -1.039 2.973 -3.475 661 HG22 ILE 78 2HG2 ILE 78 -0.379 1.590 -2.602 662 HG23 ILE 78 3HG2 ILE 78 -2.112 1.685 -2.922 663 HD11 ILE 78 3HD1 ILE 78 0.053 -2.013 -3.455 664 HD12 ILE 78 1HD1 ILE 78 -0.017 -0.528 -2.505 665 HD13 ILE 78 2HD1 ILE 78 1.106 -0.660 -3.861 666 H GLU 79 H GLU 79 -2.549 -0.745 -6.560 667 HA GLU 79 HA GLU 79 -0.785 -0.833 -8.811 668 HB2 GLU 79 2HB GLU 79 -1.419 -2.860 -7.422 669 HB3 GLU 79 3HB GLU 79 -3.004 -2.834 -8.196 670 HG2 GLU 79 2HG GLU 79 -1.839 -3.014 -10.427 671 HG3 GLU 79 3HG GLU 79 -0.315 -3.210 -9.569 672 H GLU 80 H GLU 80 -4.211 -0.128 -8.365 673 HA GLU 80 HA GLU 80 -5.160 -0.293 -10.980 674 HB2 GLU 80 2HB GLU 80 -6.526 0.176 -8.912 675 HB3 GLU 80 3HB GLU 80 -5.914 1.825 -8.918 676 HG2 GLU 80 2HG GLU 80 -8.129 1.820 -9.853 677 HG3 GLU 80 3HG GLU 80 -6.987 2.169 -11.145 678 H GLU 81 H GLU 81 -3.460 2.364 -9.355 679 HA GLU 81 HA GLU 81 -3.489 4.060 -11.723 680 HB2 GLU 81 2HB GLU 81 -2.332 4.509 -8.950 681 HB3 GLU 81 3HB GLU 81 -2.349 5.712 -10.241 682 HG2 GLU 81 2HG GLU 81 -4.868 5.514 -10.286 683 HG3 GLU 81 3HG GLU 81 -4.750 4.471 -8.873 684 H LEU 82 H LEU 82 -1.292 1.823 -10.215 685 HA LEU 82 HA LEU 82 1.098 2.545 -11.587 686 HB2 LEU 82 2HB LEU 82 0.062 0.005 -10.314 687 HB3 LEU 82 3HB LEU 82 1.538 -0.054 -11.259 688 HG LEU 82 HG LEU 82 1.189 1.831 -8.905 689 HD11 LEU 82 1HD1 LEU 82 0.941 -0.448 -8.081 690 HD12 LEU 82 2HD1 LEU 82 2.497 0.208 -7.581 691 HD13 LEU 82 3HD1 LEU 82 2.414 -0.947 -8.915 692 HD21 LEU 82 3HD2 LEU 82 3.664 1.923 -9.019 693 HD22 LEU 82 1HD2 LEU 82 2.903 2.497 -10.504 694 HD23 LEU 82 2HD2 LEU 82 3.628 0.887 -10.453 695 H ARG 83 H ARG 83 -1.628 0.440 -12.402 696 HA ARG 83 HA ARG 83 -0.475 -0.577 -14.829 697 HB2 ARG 83 2HB ARG 83 -3.317 -0.819 -13.771 698 HB3 ARG 83 3HB ARG 83 -2.688 -1.679 -15.176 699 HG2 ARG 83 2HG ARG 83 -1.015 -2.805 -13.746 700 HG3 ARG 83 3HG ARG 83 -1.652 -1.955 -12.339 701 HD2 ARG 83 2HD ARG 83 -2.664 -4.060 -12.196 702 HD3 ARG 83 3HD ARG 83 -3.914 -3.074 -12.951 703 HE ARG 83 HE ARG 83 -3.345 -4.074 -15.077 704 HH11 ARG 83 1HH1 ARG 83 -2.012 -5.706 -12.253 705 HH12 ARG 83 2HH1 ARG 83 -1.783 -7.212 -13.089 706 HH21 ARG 83 1HH2 ARG 83 -3.024 -6.050 -16.157 707 HH22 ARG 83 2HH2 ARG 83 -2.354 -7.405 -15.302 708 H LYS 84 H LYS 84 -2.074 2.326 -14.097 709 HA LYS 84 HA LYS 84 -3.096 3.038 -16.644 710 HB2 LYS 84 2HB LYS 84 -1.875 4.772 -14.452 711 HB3 LYS 84 3HB LYS 84 -2.699 5.415 -15.869 712 HG2 LYS 84 2HG LYS 84 -4.806 4.336 -15.143 713 HG3 LYS 84 3HG LYS 84 -3.978 3.676 -13.727 714 HD2 LYS 84 2HD LYS 84 -5.261 5.683 -13.112 715 HD3 LYS 84 3HD LYS 84 -3.532 5.973 -12.910 716 HE2 LYS 84 2HE LYS 84 -4.661 7.914 -13.921 717 HE3 LYS 84 3HE LYS 84 -3.490 7.219 -15.041 718 HZ1 LYS 84 3HZ LYS 84 -5.617 7.774 -16.103 719 HZ2 LYS 84 1HZ LYS 84 -6.415 6.691 -15.093 720 HZ3 LYS 84 2HZ LYS 84 -5.280 6.125 -16.205 721 H ARG 85 H ARG 85 0.163 3.176 -15.224 722 HA ARG 85 HA ARG 85 1.347 4.399 -17.631 723 HB2 ARG 85 2HB ARG 85 2.090 5.320 -15.500 724 HB3 ARG 85 3HB ARG 85 2.474 3.720 -14.875 725 HG2 ARG 85 2HG ARG 85 4.351 3.517 -16.445 726 HG3 ARG 85 3HG ARG 85 3.928 5.059 -17.191 727 HD2 ARG 85 2HD ARG 85 4.784 4.719 -14.299 728 HD3 ARG 85 3HD ARG 85 5.853 5.220 -15.614 729 HE ARG 85 HE ARG 85 3.505 6.757 -14.662 730 HH11 ARG 85 1HH1 ARG 85 6.719 6.722 -16.109 731 HH12 ARG 85 2HH1 ARG 85 6.840 8.453 -16.162 732 HH21 ARG 85 1HH2 ARG 85 3.679 9.006 -14.740 733 HH22 ARG 85 2HH2 ARG 85 5.109 9.750 -15.383 734 H ASP 86 H ASP 86 1.185 1.325 -15.931 735 HA ASP 86 HA ASP 86 3.077 0.040 -17.787 736 HB2 ASP 86 2HB ASP 86 4.314 0.985 -15.729 737 HB3 ASP 86 3HB ASP 86 3.400 -0.157 -14.754 738 HA PRO 87 HA PRO 87 -0.666 -2.522 -17.164 739 HB2 PRO 87 2HB PRO 87 -0.338 -4.188 -19.315 740 HB3 PRO 87 3HB PRO 87 -0.875 -2.504 -19.486 741 HG2 PRO 87 2HG PRO 87 1.889 -3.630 -19.840 742 HG3 PRO 87 3HG PRO 87 0.996 -2.506 -20.889 743 HD2 PRO 87 2HD PRO 87 2.863 -1.632 -19.128 744 HD3 PRO 87 3HD PRO 87 1.407 -0.672 -19.500 745 H ASN 88 H ASN 88 2.620 -3.528 -16.979 746 HA ASN 88 HA ASN 88 1.895 -6.219 -15.964 747 HB2 ASN 88 2HB ASN 88 4.564 -5.194 -17.041 748 HB3 ASN 88 3HB ASN 88 4.298 -6.807 -16.387 749 HD21 ASN 88 1HD2 ASN 88 3.592 -4.659 -19.059 750 HD22 ASN 88 2HD2 ASN 88 3.040 -5.878 -20.148 751 H ALA 89 H ALA 89 2.433 -3.191 -14.770 752 HA ALA 89 HA ALA 89 4.113 -3.645 -12.555 753 HB1 ALA 89 3HB ALA 89 3.119 -1.606 -11.599 754 HB2 ALA 89 1HB ALA 89 1.823 -1.660 -12.796 755 HB3 ALA 89 2HB ALA 89 3.486 -1.371 -13.309 756 H THR 90 H THR 90 3.645 -5.584 -11.655 757 HA THR 90 HA THR 90 1.042 -6.007 -10.332 758 HB THR 90 HB THR 90 3.138 -8.025 -11.244 759 HG1 THR 90 HG1 THR 90 1.288 -6.757 -12.613 760 HG21 THR 90 3HG2 THR 90 1.447 -9.758 -10.686 761 HG22 THR 90 1HG2 THR 90 0.380 -8.511 -10.038 762 HG23 THR 90 2HG2 THR 90 1.918 -8.858 -9.243 763 H ILE 91 H ILE 91 1.002 -6.375 -8.183 764 HA ILE 91 HA ILE 91 3.467 -5.826 -6.663 765 HB ILE 91 HB ILE 91 2.040 -5.093 -4.859 766 HG12 ILE 91 2HG1 ILE 91 -0.326 -6.092 -6.512 767 HG13 ILE 91 3HG1 ILE 91 0.180 -6.661 -4.925 768 HG21 ILE 91 1HG2 ILE 91 2.505 -3.454 -6.638 769 HG22 ILE 91 2HG2 ILE 91 0.931 -3.147 -5.909 770 HG23 ILE 91 3HG2 ILE 91 1.031 -3.932 -7.488 771 HD11 ILE 91 3HD1 ILE 91 -0.960 -3.951 -5.561 772 HD12 ILE 91 1HD1 ILE 91 -0.424 -4.491 -3.970 773 HD13 ILE 91 2HD1 ILE 91 -1.787 -5.285 -4.756 774 H THR 92 H THR 92 4.241 -7.246 -5.135 775 HA THR 92 HA THR 92 3.202 -10.014 -5.287 776 HB THR 92 HB THR 92 5.997 -9.041 -4.518 777 HG1 THR 92 HG1 THR 92 5.546 -8.640 -6.709 778 HG21 THR 92 3HG2 THR 92 5.488 -11.274 -3.571 779 HG22 THR 92 1HG2 THR 92 6.686 -11.384 -4.864 780 HG23 THR 92 2HG2 THR 92 5.013 -11.848 -5.172 781 H ARG 93 H ARG 93 1.964 -10.505 -3.567 782 HA ARG 93 HA ARG 93 2.117 -9.041 -1.064 783 HB2 ARG 93 2HB ARG 93 -0.025 -9.513 -2.164 784 HB3 ARG 93 3HB ARG 93 0.254 -11.244 -2.022 785 HG2 ARG 93 2HG ARG 93 0.140 -11.023 0.463 786 HG3 ARG 93 3HG ARG 93 -0.188 -9.299 0.272 787 HD2 ARG 93 2HD ARG 93 -1.923 -11.590 -0.716 788 HD3 ARG 93 3HD ARG 93 -2.303 -10.469 0.603 789 HE ARG 93 HE ARG 93 -2.400 -8.674 -1.030 790 HH11 ARG 93 1HH1 ARG 93 -2.567 -11.917 -2.403 791 HH12 ARG 93 2HH1 ARG 93 -3.295 -11.378 -3.883 792 HH21 ARG 93 1HH2 ARG 93 -3.117 -7.974 -3.017 793 HH22 ARG 93 2HH2 ARG 93 -3.609 -9.117 -4.234 794 H THR 94 H THR 94 3.568 -9.657 0.391 795 HA THR 94 HA THR 94 3.647 -12.471 1.330 796 HB THR 94 HB THR 94 5.973 -10.469 1.312 797 HG1 THR 94 HG1 THR 94 5.163 -12.335 -0.544 798 HG21 THR 94 3HG2 THR 94 7.364 -12.362 2.068 799 HG22 THR 94 1HG2 THR 94 5.937 -13.394 2.147 800 HG23 THR 94 2HG2 THR 94 6.088 -12.011 3.236 801 H VAL 95 H VAL 95 2.380 -12.322 3.214 802 HA VAL 95 HA VAL 95 2.295 -9.871 4.736 803 HB VAL 95 HB VAL 95 0.271 -11.302 4.589 804 HG11 VAL 95 1HG1 VAL 95 1.701 -13.284 6.378 805 HG12 VAL 95 2HG1 VAL 95 1.262 -13.541 4.690 806 HG13 VAL 95 3HG1 VAL 95 0.000 -13.349 5.909 807 HG21 VAL 95 3HG2 VAL 95 -0.418 -11.081 6.967 808 HG22 VAL 95 1HG2 VAL 95 0.461 -9.661 6.389 809 HG23 VAL 95 2HG2 VAL 95 1.271 -10.842 7.420 810 H ARG 96 H ARG 96 3.827 -9.262 6.069 811 HA ARG 96 HA ARG 96 6.117 -10.943 6.517 812 HB2 ARG 96 2HB ARG 96 6.144 -8.424 5.955 813 HB3 ARG 96 3HB ARG 96 5.687 -8.138 7.631 814 HG2 ARG 96 2HG ARG 96 8.067 -7.869 7.477 815 HG3 ARG 96 3HG ARG 96 7.765 -9.380 8.336 816 HD2 ARG 96 2HD ARG 96 8.106 -10.586 6.118 817 HD3 ARG 96 3HD ARG 96 8.645 -9.041 5.445 818 HE ARG 96 HE ARG 96 9.997 -9.970 7.859 819 HH11 ARG 96 1HH1 ARG 96 10.155 -9.794 4.329 820 HH12 ARG 96 2HH1 ARG 96 11.856 -10.103 4.289 821 HH21 ARG 96 1HH2 ARG 96 12.213 -10.403 7.756 822 HH22 ARG 96 2HH2 ARG 96 13.020 -10.446 6.220 823 H THR 97 H THR 97 3.505 -9.644 8.497 824 HA THR 97 HA THR 97 4.398 -10.790 10.991 825 HB THR 97 HB THR 97 1.732 -9.581 10.113 826 HG1 THR 97 HG1 THR 97 3.955 -8.592 11.598 827 HG21 THR 97 3HG2 THR 97 2.592 -10.341 12.927 828 HG22 THR 97 1HG2 THR 97 1.327 -11.142 11.988 829 HG23 THR 97 2HG2 THR 97 1.123 -9.465 12.497 830 H GLU 98 H GLU 98 3.943 -12.781 11.762 831 HA GLU 98 HA GLU 98 2.075 -14.615 10.350 832 HB2 GLU 98 2HB GLU 98 4.465 -15.296 10.306 833 HB3 GLU 98 3HB GLU 98 4.546 -15.193 12.060 834 HG2 GLU 98 2HG GLU 98 2.935 -17.071 12.238 835 HG3 GLU 98 3HG GLU 98 2.852 -17.167 10.481 836 H VAL 99 H VAL 99 0.931 -16.184 11.904 837 HA VAL 99 HA VAL 99 -0.377 -15.024 14.071 838 HB VAL 99 HB VAL 99 -1.218 -17.045 12.930 839 HG11 VAL 99 1HG1 VAL 99 0.880 -18.273 12.582 840 HG12 VAL 99 2HG1 VAL 99 -0.327 -19.291 13.370 841 HG13 VAL 99 3HG1 VAL 99 0.991 -18.599 14.317 842 HG21 VAL 99 3HG2 VAL 99 -0.841 -17.501 15.915 843 HG22 VAL 99 1HG2 VAL 99 -2.074 -18.266 14.903 844 HG23 VAL 99 2HG2 VAL 99 -2.103 -16.522 15.165 845 H GLY 100 H GLY 100 2.582 -17.008 14.024 846 HA2 GLY 100 2HA GLY 100 4.359 -17.197 15.434 847 HA3 GLY 100 3HA GLY 100 4.010 -15.523 15.831 848 H SER 101 H SER 101 3.469 -15.068 17.869 849 HA SER 101 HA SER 101 2.629 -17.204 19.742 850 HB2 SER 101 2HB SER 101 3.789 -14.441 20.339 851 HB3 SER 101 3HB SER 101 3.413 -15.698 21.530 852 HG SER 101 HG SER 101 5.630 -15.401 19.988 853 H SER 102 H SER 102 0.452 -17.269 19.815 854 HA SER 102 HA SER 102 -1.056 -14.911 20.581 855 HB2 SER 102 2HB SER 102 -1.730 -16.408 17.998 856 HB3 SER 102 3HB SER 102 -2.836 -15.298 18.807 857 HG SER 102 HG SER 102 -0.672 -13.926 18.595 858 H TRP 103 H TRP 103 -1.128 -16.140 22.543 859 HA TRP 103 HA TRP 103 -2.896 -18.477 22.625 860 HB2 TRP 103 2HB TRP 103 -1.006 -18.428 24.196 861 HB3 TRP 103 3HB TRP 103 -1.526 -16.884 24.844 862 HD1 TRP 103 HD1 TRP 103 -4.035 -19.805 24.385 863 HE1 TRP 103 HE1 TRP 103 -4.794 -20.598 26.713 864 HE3 TRP 103 HE3 TRP 103 -0.892 -16.985 27.283 865 HZ2 TRP 103 HZ2 TRP 103 -4.134 -20.122 29.411 866 HZ3 TRP 103 HZ3 TRP 103 -1.018 -17.214 29.731 867 HH2 TRP 103 HH2 TRP 103 -2.609 -18.750 30.775 868 H SER 104 H SER 104 -5.008 -18.151 22.505 869 HA SER 104 HA SER 104 -6.232 -15.561 23.101 870 HB2 SER 104 2HB SER 104 -6.704 -16.727 20.947 871 HB3 SER 104 3HB SER 104 -7.424 -18.070 21.830 872 HG SER 104 HG SER 104 -8.327 -15.437 22.238 873 H LEU 105 H LEU 105 -6.896 -15.262 25.146 874 HA LEU 105 HA LEU 105 -7.853 -17.518 26.771 875 HB2 LEU 105 2HB LEU 105 -7.257 -14.642 27.593 876 HB3 LEU 105 3HB LEU 105 -7.786 -15.926 28.669 877 HG LEU 105 HG LEU 105 -5.609 -17.182 27.849 878 HD11 LEU 105 1HD1 LEU 105 -3.725 -15.717 27.283 879 HD12 LEU 105 2HD1 LEU 105 -4.821 -14.333 27.193 880 HD13 LEU 105 3HD1 LEU 105 -4.990 -15.671 26.053 881 HD21 LEU 105 3HD2 LEU 105 -4.304 -16.187 29.680 882 HD22 LEU 105 1HD2 LEU 105 -5.980 -16.465 30.155 883 HD23 LEU 105 2HD2 LEU 105 -5.436 -14.832 29.761 884 H GLU 106 H GLU 106 -9.939 -17.939 26.713 885 HA GLU 106 HA GLU 106 -11.951 -15.775 26.578 886 HB2 GLU 106 2HB GLU 106 -11.449 -17.088 24.325 887 HB3 GLU 106 3HB GLU 106 -12.358 -18.390 25.060 888 HG2 GLU 106 2HG GLU 106 -13.375 -15.609 24.403 889 HG3 GLU 106 3HG GLU 106 -13.758 -17.093 23.540 890 H HIS 107 H HIS 107 -12.543 -15.951 28.728 891 HA HIS 107 HA HIS 107 -13.848 -18.439 29.566 892 HB2 HIS 107 2HB HIS 107 -11.449 -18.530 30.385 893 HB3 HIS 107 3HB HIS 107 -11.768 -17.092 31.357 894 HD1 HIS 107 HD1 HIS 107 -12.243 -20.768 31.285 895 HD2 HIS 107 HD2 HIS 107 -13.605 -17.567 33.560 896 HE1 HIS 107 HE1 HIS 107 -13.278 -21.783 33.331 897 HE2 HIS 107 HE2 HIS 107 -13.936 -19.829 34.756 898 H HIS 108 H HIS 108 -15.794 -17.928 30.204 899 HA HIS 108 HA HIS 108 -16.228 -16.002 32.304 900 HB2 HIS 108 2HB HIS 108 -18.047 -14.744 31.144 901 HB3 HIS 108 3HB HIS 108 -16.474 -14.459 30.417 902 HD1 HIS 108 HD1 HIS 108 -19.302 -14.013 29.028 903 HD2 HIS 108 HD2 HIS 108 -16.718 -17.205 28.355 904 HE1 HIS 108 HE1 HIS 108 -19.851 -14.863 26.729 905 HE2 HIS 108 HE2 HIS 108 -18.243 -16.757 26.332 906 H HIS 109 H HIS 109 -17.305 -17.279 33.702 907 HA HIS 109 HA HIS 109 -19.381 -19.134 32.744 908 HB2 HIS 109 2HB HIS 109 -17.851 -20.110 34.365 909 HB3 HIS 109 3HB HIS 109 -18.090 -18.770 35.482 910 HD1 HIS 109 HD1 HIS 109 -19.509 -19.463 37.395 911 HD2 HIS 109 HD2 HIS 109 -20.674 -21.382 33.887 912 HE1 HIS 109 HE1 HIS 109 -21.460 -20.917 38.030 913 HE2 HIS 109 HE2 HIS 109 -22.251 -21.914 35.864 914 H HIS 110 H HIS 110 -21.201 -17.997 32.294 915 HA HIS 110 HA HIS 110 -22.185 -15.805 33.848 916 HB2 HIS 110 2HB HIS 110 -22.830 -16.123 31.452 917 HB3 HIS 110 3HB HIS 110 -23.726 -17.577 31.886 918 HD1 HIS 110 HD1 HIS 110 -25.906 -17.211 33.374 919 HD2 HIS 110 HD2 HIS 110 -24.185 -13.716 31.914 920 HE1 HIS 110 HE1 HIS 110 -27.615 -15.412 33.739 921 HE2 HIS 110 HE2 HIS 110 -26.608 -13.349 32.717 922 H HIS 111 H HIS 111 -23.718 -15.805 35.446 923 HA HIS 111 HA HIS 111 -24.905 -18.261 36.451 924 HB2 HIS 111 2HB HIS 111 -23.842 -18.176 38.642 925 HB3 HIS 111 3HB HIS 111 -22.574 -18.236 37.421 926 HD1 HIS 111 HD1 HIS 111 -23.814 -16.210 40.241 927 HD2 HIS 111 HD2 HIS 111 -21.193 -15.690 37.053 928 HE1 HIS 111 HE1 HIS 111 -22.460 -14.178 40.803 929 HE2 HIS 111 HE2 HIS 111 -21.041 -13.771 38.772 930 H HIS 112 H HIS 112 -26.075 -17.715 38.575 931 HA HIS 112 HA HIS 112 -27.464 -15.145 38.373 932 HB2 HIS 112 2HB HIS 112 -27.984 -17.504 40.242 933 HB3 HIS 112 3HB HIS 112 -29.017 -16.094 40.044 934 HD1 HIS 112 HD1 HIS 112 -28.243 -19.386 38.569 935 HD2 HIS 112 HD2 HIS 112 -30.438 -16.012 37.546 936 HE1 HIS 112 HE1 HIS 112 -29.707 -20.090 36.663 937 HE2 HIS 112 HE2 HIS 112 -30.964 -18.019 36.013 Start of MODEL 10 1 H1 MET 1 1H MET 1 -5.341 -3.005 21.568 2 H2 MET 1 2H MET 1 -3.660 -3.181 21.622 3 H3 MET 1 3H MET 1 -4.625 -4.429 21.011 4 HA MET 1 HA MET 1 -5.307 -3.113 19.166 5 HB2 MET 1 2HB MET 1 -5.192 -0.908 20.376 6 HB3 MET 1 3HB MET 1 -3.437 -0.964 20.284 7 HG2 MET 1 2HG MET 1 -3.608 -0.915 17.797 8 HG3 MET 1 3HG MET 1 -5.361 -0.782 17.955 9 HE1 MET 1 3HE MET 1 -3.873 1.296 16.225 10 HE2 MET 1 1HE MET 1 -4.483 2.836 16.829 11 HE3 MET 1 2HE MET 1 -5.589 1.481 16.607 12 H LEU 2 H LEU 2 -4.315 -4.284 17.619 13 HA LEU 2 HA LEU 2 -1.527 -5.115 18.087 14 HB2 LEU 2 2HB LEU 2 -2.043 -6.921 16.388 15 HB3 LEU 2 3HB LEU 2 -2.932 -6.987 17.895 16 HG LEU 2 HG LEU 2 -4.909 -5.924 16.675 17 HD11 LEU 2 1HD1 LEU 2 -5.038 -6.115 14.243 18 HD12 LEU 2 2HD1 LEU 2 -3.345 -6.605 14.169 19 HD13 LEU 2 3HD1 LEU 2 -3.776 -4.988 14.730 20 HD21 LEU 2 3HD2 LEU 2 -4.018 -8.666 15.732 21 HD22 LEU 2 1HD2 LEU 2 -5.668 -8.036 15.695 22 HD23 LEU 2 2HD2 LEU 2 -4.862 -8.302 17.239 23 H THR 3 H THR 3 -0.076 -5.340 16.259 24 HA THR 3 HA THR 3 -0.568 -3.435 14.048 25 HB THR 3 HB THR 3 2.167 -3.931 15.336 26 HG1 THR 3 HG1 THR 3 0.089 -2.358 16.192 27 HG21 THR 3 3HG2 THR 3 1.164 -1.754 13.456 28 HG22 THR 3 1HG2 THR 3 2.221 -3.087 13.002 29 HG23 THR 3 2HG2 THR 3 2.788 -1.858 14.139 30 H VAL 4 H VAL 4 -0.830 -4.662 12.259 31 HA VAL 4 HA VAL 4 0.658 -7.194 11.910 32 HB VAL 4 HB VAL 4 -1.828 -7.221 11.576 33 HG11 VAL 4 1HG1 VAL 4 -2.844 -6.221 9.565 34 HG12 VAL 4 2HG1 VAL 4 -1.311 -5.437 9.174 35 HG13 VAL 4 3HG1 VAL 4 -2.180 -4.992 10.643 36 HG21 VAL 4 3HG2 VAL 4 -0.476 -8.939 10.483 37 HG22 VAL 4 1HG2 VAL 4 -0.211 -7.891 9.086 38 HG23 VAL 4 2HG2 VAL 4 -1.830 -8.496 9.444 39 H GLU 5 H GLU 5 1.925 -7.545 10.044 40 HA GLU 5 HA GLU 5 2.641 -5.161 8.451 41 HB2 GLU 5 2HB GLU 5 4.569 -7.307 9.439 42 HB3 GLU 5 3HB GLU 5 4.984 -5.942 8.408 43 HG2 GLU 5 2HG GLU 5 4.268 -4.418 10.304 44 HG3 GLU 5 3HG GLU 5 4.116 -5.860 11.302 45 H VAL 6 H VAL 6 2.533 -5.417 6.349 46 HA VAL 6 HA VAL 6 2.926 -8.074 5.132 47 HB VAL 6 HB VAL 6 0.532 -7.513 4.967 48 HG11 VAL 6 1HG1 VAL 6 1.355 -4.990 3.502 49 HG12 VAL 6 2HG1 VAL 6 0.645 -5.074 5.115 50 HG13 VAL 6 3HG1 VAL 6 -0.299 -5.575 3.711 51 HG21 VAL 6 3HG2 VAL 6 1.921 -7.264 2.272 52 HG22 VAL 6 1HG2 VAL 6 0.238 -7.741 2.525 53 HG23 VAL 6 2HG2 VAL 6 1.545 -8.769 3.111 54 H GLU 7 H GLU 7 4.355 -8.103 3.496 55 HA GLU 7 HA GLU 7 5.782 -5.625 2.739 56 HB2 GLU 7 2HB GLU 7 7.146 -7.416 3.776 57 HB3 GLU 7 3HB GLU 7 6.595 -8.565 2.561 58 HG2 GLU 7 2HG GLU 7 7.651 -6.996 0.819 59 HG3 GLU 7 3HG GLU 7 8.437 -6.183 2.172 60 H VAL 8 H VAL 8 5.209 -4.864 0.788 61 HA VAL 8 HA VAL 8 4.190 -6.699 -1.322 62 HB VAL 8 HB VAL 8 3.563 -3.737 -0.814 63 HG11 VAL 8 1HG1 VAL 8 1.830 -3.967 -2.545 64 HG12 VAL 8 2HG1 VAL 8 2.369 -5.616 -2.874 65 HG13 VAL 8 3HG1 VAL 8 3.446 -4.254 -3.194 66 HG21 VAL 8 3HG2 VAL 8 1.784 -6.165 -0.336 67 HG22 VAL 8 1HG2 VAL 8 1.302 -4.476 -0.150 68 HG23 VAL 8 2HG2 VAL 8 2.533 -5.162 0.911 69 H LYS 9 H LYS 9 5.968 -7.049 -2.622 70 HA LYS 9 HA LYS 9 7.875 -4.876 -3.183 71 HB2 LYS 9 2HB LYS 9 8.750 -7.055 -2.395 72 HB3 LYS 9 3HB LYS 9 8.028 -7.865 -3.784 73 HG2 LYS 9 2HG LYS 9 9.486 -6.672 -5.312 74 HG3 LYS 9 3HG LYS 9 10.140 -5.686 -4.007 75 HD2 LYS 9 2HD LYS 9 10.450 -8.710 -4.068 76 HD3 LYS 9 3HD LYS 9 11.586 -7.636 -4.878 77 HE2 LYS 9 2HE LYS 9 12.499 -8.234 -2.733 78 HE3 LYS 9 3HE LYS 9 12.045 -6.533 -2.680 79 HZ1 LYS 9 3HZ LYS 9 11.447 -7.762 -0.671 80 HZ2 LYS 9 1HZ LYS 9 10.426 -8.763 -1.567 81 HZ3 LYS 9 2HZ LYS 9 10.091 -7.112 -1.433 82 H ILE 10 H ILE 10 7.435 -3.679 -4.886 83 HA ILE 10 HA ILE 10 5.546 -4.576 -6.941 84 HB ILE 10 HB ILE 10 6.443 -1.758 -6.174 85 HG12 ILE 10 2HG1 ILE 10 3.939 -3.310 -5.343 86 HG13 ILE 10 3HG1 ILE 10 5.292 -2.913 -4.297 87 HG21 ILE 10 1HG2 ILE 10 4.475 -0.998 -7.471 88 HG22 ILE 10 2HG2 ILE 10 4.129 -2.663 -7.937 89 HG23 ILE 10 3HG2 ILE 10 5.613 -1.883 -8.490 90 HD11 ILE 10 3HD1 ILE 10 4.750 -0.539 -4.509 91 HD12 ILE 10 1HD1 ILE 10 3.420 -1.489 -3.852 92 HD13 ILE 10 2HD1 ILE 10 3.369 -0.954 -5.530 93 H THR 11 H THR 11 6.584 -5.394 -8.643 94 HA THR 11 HA THR 11 9.018 -4.235 -9.769 95 HB THR 11 HB THR 11 8.917 -6.655 -9.729 96 HG1 THR 11 HG1 THR 11 9.769 -5.509 -11.655 97 HG21 THR 11 3HG2 THR 11 7.281 -7.993 -11.018 98 HG22 THR 11 1HG2 THR 11 6.384 -6.524 -11.406 99 HG23 THR 11 2HG2 THR 11 6.496 -7.073 -9.734 100 H ALA 12 H ALA 12 8.881 -2.573 -11.190 101 HA ALA 12 HA ALA 12 6.509 -2.319 -12.963 102 HB1 ALA 12 3HB ALA 12 6.516 0.106 -12.629 103 HB2 ALA 12 1HB ALA 12 7.873 -0.029 -11.504 104 HB3 ALA 12 2HB ALA 12 6.307 -0.722 -11.086 105 H ASP 13 H ASP 13 6.891 -0.912 -14.827 106 HA ASP 13 HA ASP 13 9.275 -1.610 -16.242 107 HB2 ASP 13 2HB ASP 13 7.146 -1.354 -17.408 108 HB3 ASP 13 3HB ASP 13 7.024 0.325 -16.904 109 H ASP 14 H ASP 14 8.208 1.249 -14.455 110 HA ASP 14 HA ASP 14 11.028 2.168 -14.470 111 HB2 ASP 14 2HB ASP 14 9.520 3.731 -15.801 112 HB3 ASP 14 3HB ASP 14 8.641 4.066 -14.314 113 H GLU 15 H GLU 15 11.813 1.796 -12.518 114 HA GLU 15 HA GLU 15 10.442 1.026 -10.230 115 HB2 GLU 15 2HB GLU 15 12.830 0.550 -10.648 116 HB3 GLU 15 3HB GLU 15 13.215 2.257 -10.463 117 HG2 GLU 15 2HG GLU 15 12.414 2.100 -8.066 118 HG3 GLU 15 3HG GLU 15 12.241 0.360 -8.304 119 H ASN 16 H ASN 16 11.698 4.288 -11.040 120 HA ASN 16 HA ASN 16 11.128 5.425 -8.482 121 HB2 ASN 16 2HB ASN 16 12.847 6.427 -9.929 122 HB3 ASN 16 3HB ASN 16 11.633 6.839 -11.133 123 HD21 ASN 16 1HD2 ASN 16 11.158 7.216 -7.617 124 HD22 ASN 16 2HD2 ASN 16 11.087 8.939 -7.654 125 H LYS 17 H LYS 17 9.331 5.282 -11.543 126 HA LYS 17 HA LYS 17 7.193 6.977 -10.829 127 HB2 LYS 17 2HB LYS 17 7.372 4.652 -12.787 128 HB3 LYS 17 3HB LYS 17 5.867 5.528 -12.541 129 HG2 LYS 17 2HG LYS 17 8.468 6.738 -13.536 130 HG3 LYS 17 3HG LYS 17 7.066 6.325 -14.526 131 HD2 LYS 17 2HD LYS 17 5.699 7.968 -13.232 132 HD3 LYS 17 3HD LYS 17 7.143 8.423 -12.319 133 HE2 LYS 17 2HE LYS 17 6.703 10.034 -14.109 134 HE3 LYS 17 3HE LYS 17 8.215 9.184 -14.423 135 HZ1 LYS 17 3HZ LYS 17 7.083 7.789 -16.011 136 HZ2 LYS 17 1HZ LYS 17 6.829 9.413 -16.409 137 HZ3 LYS 17 2HZ LYS 17 5.596 8.519 -15.667 138 H ALA 18 H ALA 18 7.616 3.434 -10.498 139 HA ALA 18 HA ALA 18 5.217 2.666 -9.375 140 HB1 ALA 18 3HB ALA 18 7.044 1.104 -9.966 141 HB2 ALA 18 1HB ALA 18 6.404 0.786 -8.357 142 HB3 ALA 18 2HB ALA 18 7.948 1.624 -8.547 143 H GLU 19 H GLU 19 8.081 3.897 -7.698 144 HA GLU 19 HA GLU 19 7.121 3.840 -5.063 145 HB2 GLU 19 2HB GLU 19 9.495 4.006 -5.588 146 HB3 GLU 19 3HB GLU 19 9.260 5.562 -6.383 147 HG2 GLU 19 2HG GLU 19 8.563 6.533 -4.203 148 HG3 GLU 19 3HG GLU 19 8.881 4.984 -3.428 149 H GLU 20 H GLU 20 7.270 6.594 -7.384 150 HA GLU 20 HA GLU 20 6.286 8.589 -5.698 151 HB2 GLU 20 2HB GLU 20 6.045 8.391 -8.727 152 HB3 GLU 20 3HB GLU 20 5.693 9.843 -7.802 153 HG2 GLU 20 2HG GLU 20 8.393 8.482 -8.011 154 HG3 GLU 20 3HG GLU 20 7.902 9.954 -8.842 155 H ILE 21 H ILE 21 4.532 6.534 -7.985 156 HA ILE 21 HA ILE 21 1.930 7.501 -7.724 157 HB ILE 21 HB ILE 21 2.875 4.643 -8.265 158 HG12 ILE 21 2HG1 ILE 21 1.979 6.692 -10.347 159 HG13 ILE 21 3HG1 ILE 21 3.663 6.477 -9.887 160 HG21 ILE 21 1HG2 ILE 21 0.520 4.615 -7.589 161 HG22 ILE 21 2HG2 ILE 21 0.663 4.244 -9.306 162 HG23 ILE 21 3HG2 ILE 21 0.135 5.847 -8.793 163 HD11 ILE 21 3HD1 ILE 21 3.165 5.291 -11.937 164 HD12 ILE 21 1HD1 ILE 21 1.895 4.367 -11.131 165 HD13 ILE 21 2HD1 ILE 21 3.583 4.155 -10.656 166 H VAL 22 H VAL 22 3.479 4.731 -6.087 167 HA VAL 22 HA VAL 22 1.204 3.978 -4.593 168 HB VAL 22 HB VAL 22 4.147 3.236 -4.336 169 HG11 VAL 22 1HG1 VAL 22 3.139 2.908 -2.115 170 HG12 VAL 22 2HG1 VAL 22 3.484 1.356 -2.875 171 HG13 VAL 22 3HG1 VAL 22 1.827 1.966 -2.829 172 HG21 VAL 22 3HG2 VAL 22 3.460 1.150 -5.420 173 HG22 VAL 22 1HG2 VAL 22 2.946 2.520 -6.401 174 HG23 VAL 22 2HG2 VAL 22 1.770 1.658 -5.407 175 H LYS 23 H LYS 23 4.016 6.018 -3.711 176 HA LYS 23 HA LYS 23 3.464 6.383 -0.977 177 HB2 LYS 23 2HB LYS 23 4.750 8.307 -2.964 178 HB3 LYS 23 3HB LYS 23 4.720 8.572 -1.222 179 HG2 LYS 23 2HG LYS 23 6.059 6.546 -0.864 180 HG3 LYS 23 3HG LYS 23 6.044 6.219 -2.600 181 HD2 LYS 23 2HD LYS 23 8.175 7.235 -1.968 182 HD3 LYS 23 3HD LYS 23 7.272 8.339 -3.006 183 HE2 LYS 23 2HE LYS 23 6.627 9.689 -1.088 184 HE3 LYS 23 3HE LYS 23 7.357 8.527 0.025 185 HZ1 LYS 23 3HZ LYS 23 9.513 9.015 -0.982 186 HZ2 LYS 23 1HZ LYS 23 8.808 10.390 -0.299 187 HZ3 LYS 23 2HZ LYS 23 8.798 10.180 -1.979 188 H ARG 24 H ARG 24 2.542 8.436 -3.781 189 HA ARG 24 HA ARG 24 1.053 10.343 -2.363 190 HB2 ARG 24 2HB ARG 24 1.807 10.605 -4.744 191 HB3 ARG 24 3HB ARG 24 0.571 9.452 -5.242 192 HG2 ARG 24 2HG ARG 24 -1.180 10.998 -4.347 193 HG3 ARG 24 3HG ARG 24 0.087 12.151 -3.934 194 HD2 ARG 24 2HD ARG 24 0.694 12.240 -6.382 195 HD3 ARG 24 3HD ARG 24 -0.725 11.240 -6.714 196 HE ARG 24 HE ARG 24 -0.785 13.948 -5.528 197 HH11 ARG 24 1HH1 ARG 24 -2.410 11.473 -7.426 198 HH12 ARG 24 2HH1 ARG 24 -3.766 12.487 -7.789 199 HH21 ARG 24 1HH2 ARG 24 -2.560 15.239 -5.976 200 HH22 ARG 24 2HH2 ARG 24 -3.852 14.636 -6.963 201 H VAL 25 H VAL 25 0.102 7.271 -3.791 202 HA VAL 25 HA VAL 25 -2.692 7.613 -3.470 203 HB VAL 25 HB VAL 25 -1.057 5.100 -4.018 204 HG11 VAL 25 1HG1 VAL 25 -4.074 5.469 -4.126 205 HG12 VAL 25 2HG1 VAL 25 -3.190 4.446 -2.992 206 HG13 VAL 25 3HG1 VAL 25 -3.197 4.056 -4.711 207 HG21 VAL 25 3HG2 VAL 25 -1.848 5.388 -6.335 208 HG22 VAL 25 1HG2 VAL 25 -0.971 6.821 -5.798 209 HG23 VAL 25 2HG2 VAL 25 -2.734 6.845 -5.869 210 H ILE 26 H ILE 26 -0.225 5.910 -1.444 211 HA ILE 26 HA ILE 26 -2.057 4.751 0.402 212 HB ILE 26 HB ILE 26 0.842 5.605 0.894 213 HG12 ILE 26 2HG1 ILE 26 -0.226 2.793 0.362 214 HG13 ILE 26 3HG1 ILE 26 0.452 3.822 -0.891 215 HG21 ILE 26 1HG2 ILE 26 -0.913 3.790 2.605 216 HG22 ILE 26 2HG2 ILE 26 -0.328 5.394 3.052 217 HG23 ILE 26 3HG2 ILE 26 0.813 4.066 2.851 218 HD11 ILE 26 3HD1 ILE 26 2.591 3.856 0.277 219 HD12 ILE 26 1HD1 ILE 26 2.072 2.214 -0.097 220 HD13 ILE 26 2HD1 ILE 26 1.918 2.829 1.547 221 H ASP 27 H ASP 27 -0.493 7.916 0.233 222 HA ASP 27 HA ASP 27 -1.436 8.967 2.710 223 HB2 ASP 27 2HB ASP 27 0.444 9.947 1.360 224 HB3 ASP 27 3HB ASP 27 -0.722 10.487 0.157 225 H GLU 28 H GLU 28 -2.803 8.851 -0.558 226 HA GLU 28 HA GLU 28 -5.152 10.411 -0.049 227 HB2 GLU 28 2HB GLU 28 -4.548 8.373 -2.236 228 HB3 GLU 28 3HB GLU 28 -5.985 9.383 -2.204 229 HG2 GLU 28 2HG GLU 28 -4.590 11.403 -2.408 230 HG3 GLU 28 3HG GLU 28 -3.136 10.410 -2.411 231 H VAL 29 H VAL 29 -4.330 6.986 0.302 232 HA VAL 29 HA VAL 29 -7.006 6.015 0.696 233 HB VAL 29 HB VAL 29 -4.330 4.729 1.496 234 HG11 VAL 29 1HG1 VAL 29 -5.586 2.593 1.639 235 HG12 VAL 29 2HG1 VAL 29 -7.096 3.460 1.354 236 HG13 VAL 29 3HG1 VAL 29 -6.165 3.770 2.820 237 HG21 VAL 29 3HG2 VAL 29 -6.067 4.175 -0.934 238 HG22 VAL 29 1HG2 VAL 29 -4.585 3.319 -0.501 239 HG23 VAL 29 2HG2 VAL 29 -4.525 5.022 -0.942 240 H GLU 30 H GLU 30 -4.349 7.139 2.721 241 HA GLU 30 HA GLU 30 -5.198 6.140 5.198 242 HB2 GLU 30 2HB GLU 30 -2.887 6.795 4.815 243 HB3 GLU 30 3HB GLU 30 -3.348 8.471 4.533 244 HG2 GLU 30 2HG GLU 30 -3.888 8.819 6.828 245 HG3 GLU 30 3HG GLU 30 -3.863 7.095 7.183 246 H ARG 31 H ARG 31 -5.705 9.319 3.691 247 HA ARG 31 HA ARG 31 -7.020 10.575 5.883 248 HB2 ARG 31 2HB ARG 31 -7.690 12.299 4.236 249 HB3 ARG 31 3HB ARG 31 -5.989 11.876 4.087 250 HG2 ARG 31 2HG ARG 31 -6.554 10.413 2.138 251 HG3 ARG 31 3HG ARG 31 -8.230 10.943 2.265 252 HD2 ARG 31 2HD ARG 31 -7.487 13.285 1.819 253 HD3 ARG 31 3HD ARG 31 -5.831 12.692 1.612 254 HE ARG 31 HE ARG 31 -7.822 11.389 -0.053 255 HH11 ARG 31 1HH1 ARG 31 -5.487 14.022 0.094 256 HH12 ARG 31 2HH1 ARG 31 -5.380 14.170 -1.631 257 HH21 ARG 31 1HH2 ARG 31 -7.666 11.592 -2.310 258 HH22 ARG 31 2HH2 ARG 31 -6.615 12.793 -2.993 259 H GLU 32 H GLU 32 -8.148 8.360 3.457 260 HA GLU 32 HA GLU 32 -10.990 8.812 3.882 261 HB2 GLU 32 2HB GLU 32 -9.535 6.569 2.399 262 HB3 GLU 32 3HB GLU 32 -11.264 6.894 2.330 263 HG2 GLU 32 2HG GLU 32 -10.811 9.073 1.238 264 HG3 GLU 32 3HG GLU 32 -9.083 8.744 1.320 265 H VAL 33 H VAL 33 -8.492 6.504 4.813 266 HA VAL 33 HA VAL 33 -10.210 4.605 6.083 267 HB VAL 33 HB VAL 33 -7.174 4.965 6.095 268 HG11 VAL 33 1HG1 VAL 33 -8.707 2.589 7.219 269 HG12 VAL 33 2HG1 VAL 33 -7.812 3.773 8.171 270 HG13 VAL 33 3HG1 VAL 33 -6.953 2.716 7.052 271 HG21 VAL 33 3HG2 VAL 33 -7.179 3.001 4.600 272 HG22 VAL 33 1HG2 VAL 33 -8.136 4.319 3.924 273 HG23 VAL 33 2HG2 VAL 33 -8.943 2.940 4.673 274 H GLN 34 H GLN 34 -8.679 7.575 7.187 275 HA GLN 34 HA GLN 34 -8.805 7.055 9.986 276 HB2 GLN 34 2HB GLN 34 -8.939 9.755 8.570 277 HB3 GLN 34 3HB GLN 34 -8.674 9.525 10.296 278 HG2 GLN 34 2HG GLN 34 -6.813 8.758 8.037 279 HG3 GLN 34 3HG GLN 34 -6.553 9.991 9.262 280 HE21 GLN 34 1HE2 GLN 34 -4.986 7.584 8.506 281 HE22 GLN 34 2HE2 GLN 34 -4.748 6.713 9.972 282 H LYS 35 H LYS 35 -11.256 7.921 7.661 283 HA LYS 35 HA LYS 35 -13.255 8.871 9.523 284 HB2 LYS 35 2HB LYS 35 -13.605 7.820 6.671 285 HB3 LYS 35 3HB LYS 35 -14.815 8.703 7.599 286 HG2 LYS 35 2HG LYS 35 -13.325 10.699 7.600 287 HG3 LYS 35 3HG LYS 35 -12.169 9.814 6.599 288 HD2 LYS 35 2HD LYS 35 -15.044 10.467 5.816 289 HD3 LYS 35 3HD LYS 35 -13.614 11.323 5.242 290 HE2 LYS 35 2HE LYS 35 -12.835 9.331 4.066 291 HE3 LYS 35 3HE LYS 35 -14.148 8.369 4.749 292 HZ1 LYS 35 3HZ LYS 35 -14.764 8.961 2.548 293 HZ2 LYS 35 1HZ LYS 35 -14.378 10.590 2.793 294 HZ3 LYS 35 2HZ LYS 35 -15.708 9.911 3.580 295 H GLN 36 H GLN 36 -12.645 5.905 7.699 296 HA GLN 36 HA GLN 36 -14.949 4.449 8.590 297 HB2 GLN 36 2HB GLN 36 -12.419 3.414 7.230 298 HB3 GLN 36 3HB GLN 36 -14.000 2.637 7.250 299 HG2 GLN 36 2HG GLN 36 -14.940 4.297 5.798 300 HG3 GLN 36 3HG GLN 36 -13.528 5.340 5.971 301 HE21 GLN 36 1HE2 GLN 36 -14.769 2.448 4.445 302 HE22 GLN 36 2HE2 GLN 36 -13.491 2.271 3.297 303 H TYR 37 H TYR 37 -11.568 4.574 9.444 304 HA TYR 37 HA TYR 37 -11.960 2.784 11.762 305 HB2 TYR 37 2HB TYR 37 -9.475 2.916 9.983 306 HB3 TYR 37 3HB TYR 37 -9.668 1.907 11.413 307 HD1 TYR 37 HD1 TYR 37 -11.089 -0.145 11.312 308 HD2 TYR 37 HD2 TYR 37 -10.513 2.278 7.838 309 HE1 TYR 37 HE1 TYR 37 -11.997 -1.940 9.903 310 HE2 TYR 37 HE2 TYR 37 -11.422 0.476 6.430 311 HH TYR 37 HH TYR 37 -13.054 -2.236 7.760 312 HA PRO 38 HA PRO 38 -10.303 6.822 13.292 313 HB2 PRO 38 2HB PRO 38 -11.932 6.392 15.699 314 HB3 PRO 38 3HB PRO 38 -12.140 7.614 14.432 315 HG2 PRO 38 2HG PRO 38 -13.918 5.583 14.821 316 HG3 PRO 38 3HG PRO 38 -13.646 6.330 13.230 317 HD2 PRO 38 2HD PRO 38 -12.485 3.765 14.332 318 HD3 PRO 38 3HD PRO 38 -13.206 4.086 12.732 319 H ASN 39 H ASN 39 -8.637 4.772 13.338 320 HA ASN 39 HA ASN 39 -7.409 4.461 15.908 321 HB2 ASN 39 2HB ASN 39 -8.722 1.999 14.610 322 HB3 ASN 39 3HB ASN 39 -7.529 1.904 15.899 323 HD21 ASN 39 1HD2 ASN 39 -10.832 2.570 15.103 324 HD22 ASN 39 2HD2 ASN 39 -11.419 2.702 16.724 325 H ALA 40 H ALA 40 -7.763 3.493 12.538 326 HA ALA 40 HA ALA 40 -5.536 1.899 12.157 327 HB1 ALA 40 3HB ALA 40 -6.940 3.671 10.141 328 HB2 ALA 40 1HB ALA 40 -7.410 2.033 10.592 329 HB3 ALA 40 2HB ALA 40 -5.880 2.308 9.759 330 H THR 41 H THR 41 -3.462 2.417 12.435 331 HA THR 41 HA THR 41 -2.411 5.033 11.545 332 HB THR 41 HB THR 41 -1.183 3.019 13.493 333 HG1 THR 41 HG1 THR 41 -3.214 4.493 14.007 334 HG21 THR 41 3HG2 THR 41 0.511 4.445 12.379 335 HG22 THR 41 1HG2 THR 41 0.358 4.859 14.086 336 HG23 THR 41 2HG2 THR 41 -0.382 5.891 12.860 337 H ILE 42 H ILE 42 -1.504 4.849 9.561 338 HA ILE 42 HA ILE 42 -0.600 2.208 8.584 339 HB ILE 42 HB ILE 42 -1.259 4.733 6.978 340 HG12 ILE 42 2HG1 ILE 42 -2.968 2.227 7.410 341 HG13 ILE 42 3HG1 ILE 42 -3.277 3.802 8.125 342 HG21 ILE 42 1HG2 ILE 42 -0.772 1.876 6.024 343 HG22 ILE 42 2HG2 ILE 42 0.338 3.236 5.819 344 HG23 ILE 42 3HG2 ILE 42 -1.224 3.244 5.002 345 HD11 ILE 42 3HD1 ILE 42 -3.663 4.735 5.893 346 HD12 ILE 42 1HD1 ILE 42 -4.751 3.398 6.264 347 HD13 ILE 42 2HD1 ILE 42 -3.380 3.142 5.184 348 H THR 43 H THR 43 1.509 1.979 9.036 349 HA THR 43 HA THR 43 3.467 4.146 8.585 350 HB THR 43 HB THR 43 3.776 1.388 9.893 351 HG1 THR 43 HG1 THR 43 2.485 3.124 10.969 352 HG21 THR 43 3HG2 THR 43 5.938 2.188 8.963 353 HG22 THR 43 1HG2 THR 43 5.948 2.216 10.728 354 HG23 THR 43 2HG2 THR 43 5.743 3.717 9.826 355 H ARG 44 H ARG 44 4.592 4.134 6.683 356 HA ARG 44 HA ARG 44 4.872 1.620 5.181 357 HB2 ARG 44 2HB ARG 44 4.275 2.694 3.045 358 HB3 ARG 44 3HB ARG 44 2.928 2.627 4.164 359 HG2 ARG 44 2HG ARG 44 4.582 5.132 3.707 360 HG3 ARG 44 3HG ARG 44 3.129 4.739 2.791 361 HD2 ARG 44 2HD ARG 44 1.902 4.637 5.046 362 HD3 ARG 44 3HD ARG 44 3.347 5.376 5.749 363 HE ARG 44 HE ARG 44 2.576 6.918 3.561 364 HH11 ARG 44 1HH1 ARG 44 1.356 6.157 6.755 365 HH12 ARG 44 2HH1 ARG 44 0.468 7.636 6.901 366 HH21 ARG 44 1HH2 ARG 44 1.307 8.819 3.733 367 HH22 ARG 44 2HH2 ARG 44 0.439 9.137 5.207 368 H THR 45 H THR 45 6.716 1.328 4.102 369 HA THR 45 HA THR 45 8.665 3.529 3.828 370 HB THR 45 HB THR 45 9.339 0.758 4.960 371 HG1 THR 45 HG1 THR 45 8.594 3.099 6.158 372 HG21 THR 45 3HG2 THR 45 11.213 1.672 3.616 373 HG22 THR 45 1HG2 THR 45 11.610 1.684 5.336 374 HG23 THR 45 2HG2 THR 45 11.143 3.182 4.532 375 H LEU 46 H LEU 46 8.902 3.676 1.652 376 HA LEU 46 HA LEU 46 9.045 1.238 -0.011 377 HB2 LEU 46 2HB LEU 46 8.809 4.155 -0.877 378 HB3 LEU 46 3HB LEU 46 8.919 2.781 -1.959 379 HG LEU 46 HG LEU 46 6.718 1.943 -0.824 380 HD11 LEU 46 1HD1 LEU 46 6.669 3.463 1.084 381 HD12 LEU 46 2HD1 LEU 46 5.236 3.671 0.083 382 HD13 LEU 46 3HD1 LEU 46 6.543 4.856 0.005 383 HD21 LEU 46 3HD2 LEU 46 5.336 3.264 -2.384 384 HD22 LEU 46 1HD2 LEU 46 6.818 2.674 -3.134 385 HD23 LEU 46 2HD2 LEU 46 6.690 4.365 -2.646 386 H THR 47 H THR 47 10.954 0.535 -0.700 387 HA THR 47 HA THR 47 13.361 2.269 -0.579 388 HB THR 47 HB THR 47 13.159 -0.701 0.170 389 HG1 THR 47 HG1 THR 47 13.042 1.663 1.660 390 HG21 THR 47 3HG2 THR 47 15.539 1.192 0.386 391 HG22 THR 47 1HG2 THR 47 15.389 -0.136 -0.768 392 HG23 THR 47 2HG2 THR 47 15.488 -0.475 0.962 393 H ARG 48 H ARG 48 14.598 2.194 -2.418 394 HA ARG 48 HA ARG 48 13.721 0.642 -4.714 395 HB2 ARG 48 2HB ARG 48 15.952 2.703 -4.366 396 HB3 ARG 48 3HB ARG 48 15.652 1.843 -5.872 397 HG2 ARG 48 2HG ARG 48 14.525 3.811 -6.285 398 HG3 ARG 48 3HG ARG 48 13.214 2.826 -5.639 399 HD2 ARG 48 2HD ARG 48 13.032 4.963 -4.623 400 HD3 ARG 48 3HD ARG 48 13.691 3.900 -3.378 401 HE ARG 48 HE ARG 48 15.950 4.896 -4.248 402 HH11 ARG 48 1HH1 ARG 48 12.938 6.694 -3.837 403 HH12 ARG 48 2HH1 ARG 48 13.748 8.207 -3.545 404 HH21 ARG 48 1HH2 ARG 48 16.982 6.901 -3.873 405 HH22 ARG 48 2HH2 ARG 48 16.028 8.319 -3.567 406 H ASP 49 H ASP 49 14.889 -1.015 -5.663 407 HA ASP 49 HA ASP 49 17.383 -1.984 -4.471 408 HB2 ASP 49 2HB ASP 49 15.587 -3.032 -3.093 409 HB3 ASP 49 3HB ASP 49 14.871 -3.726 -4.542 410 H ASP 50 H ASP 50 18.192 -1.375 -6.458 411 HA ASP 50 HA ASP 50 19.171 -1.773 -8.426 412 HB2 ASP 50 2HB ASP 50 17.736 -4.460 -8.449 413 HB3 ASP 50 3HB ASP 50 19.035 -3.993 -9.543 414 H GLY 51 H GLY 51 15.932 -3.242 -8.916 415 HA2 GLY 51 2HA GLY 51 15.078 -0.943 -10.519 416 HA3 GLY 51 3HA GLY 51 15.160 -2.493 -11.352 417 H THR 52 H THR 52 14.351 -2.475 -7.987 418 HA THR 52 HA THR 52 11.465 -2.816 -8.541 419 HB THR 52 HB THR 52 12.974 -4.727 -6.696 420 HG1 THR 52 HG1 THR 52 13.801 -5.017 -8.789 421 HG21 THR 52 3HG2 THR 52 11.014 -6.169 -6.997 422 HG22 THR 52 1HG2 THR 52 10.292 -5.009 -8.114 423 HG23 THR 52 2HG2 THR 52 10.496 -4.589 -6.411 424 H VAL 53 H VAL 53 10.241 -1.698 -7.098 425 HA VAL 53 HA VAL 53 11.407 -0.549 -4.673 426 HB VAL 53 HB VAL 53 8.525 -0.357 -5.708 427 HG11 VAL 53 1HG1 VAL 53 9.929 1.286 -3.559 428 HG12 VAL 53 2HG1 VAL 53 8.674 0.077 -3.280 429 HG13 VAL 53 3HG1 VAL 53 8.290 1.559 -4.157 430 HG21 VAL 53 3HG2 VAL 53 10.812 1.620 -6.015 431 HG22 VAL 53 1HG2 VAL 53 9.138 1.901 -6.504 432 HG23 VAL 53 2HG2 VAL 53 10.092 0.649 -7.302 433 H GLU 54 H GLU 54 11.234 -1.525 -2.699 434 HA GLU 54 HA GLU 54 9.199 -3.615 -2.254 435 HB2 GLU 54 2HB GLU 54 11.522 -4.260 -1.687 436 HB3 GLU 54 3HB GLU 54 11.659 -2.888 -0.589 437 HG2 GLU 54 2HG GLU 54 9.810 -3.860 0.804 438 HG3 GLU 54 3HG GLU 54 9.759 -5.256 -0.268 439 H LEU 55 H LEU 55 7.389 -2.756 -1.538 440 HA LEU 55 HA LEU 55 7.259 -0.419 0.221 441 HB2 LEU 55 2HB LEU 55 5.630 -0.483 -1.575 442 HB3 LEU 55 3HB LEU 55 5.181 -2.139 -1.203 443 HG LEU 55 HG LEU 55 4.167 -1.352 0.949 444 HD11 LEU 55 1HD1 LEU 55 4.686 1.441 -0.080 445 HD12 LEU 55 2HD1 LEU 55 5.452 0.679 1.317 446 HD13 LEU 55 3HD1 LEU 55 3.722 1.008 1.335 447 HD21 LEU 55 3HD2 LEU 55 2.729 -1.728 -0.966 448 HD22 LEU 55 1HD2 LEU 55 3.029 -0.093 -1.563 449 HD23 LEU 55 2HD2 LEU 55 2.150 -0.338 -0.052 450 H ARG 56 H ARG 56 6.885 -0.582 2.346 451 HA ARG 56 HA ARG 56 6.225 -3.205 3.578 452 HB2 ARG 56 2HB ARG 56 8.030 -0.955 4.602 453 HB3 ARG 56 3HB ARG 56 7.519 -2.319 5.592 454 HG2 ARG 56 2HG ARG 56 9.081 -2.612 3.009 455 HG3 ARG 56 3HG ARG 56 9.830 -2.523 4.601 456 HD2 ARG 56 2HD ARG 56 7.715 -4.614 4.031 457 HD3 ARG 56 3HD ARG 56 9.382 -4.861 3.522 458 HE ARG 56 HE ARG 56 10.068 -5.020 5.728 459 HH11 ARG 56 1HH1 ARG 56 6.580 -4.407 5.696 460 HH12 ARG 56 2HH1 ARG 56 6.390 -4.861 7.360 461 HH21 ARG 56 1HH2 ARG 56 9.768 -5.616 7.863 462 HH22 ARG 56 2HH2 ARG 56 8.189 -5.544 8.581 463 H ILE 57 H ILE 57 4.063 -3.007 3.902 464 HA ILE 57 HA ILE 57 2.930 -0.556 5.076 465 HB ILE 57 HB ILE 57 1.621 -3.077 3.944 466 HG12 ILE 57 2HG1 ILE 57 2.509 -1.474 2.251 467 HG13 ILE 57 3HG1 ILE 57 0.760 -1.630 2.170 468 HG21 ILE 57 1HG2 ILE 57 0.231 -2.317 5.812 469 HG22 ILE 57 2HG2 ILE 57 -0.581 -1.988 4.282 470 HG23 ILE 57 3HG2 ILE 57 0.205 -0.676 5.160 471 HD11 ILE 57 3HD1 ILE 57 1.481 0.668 1.869 472 HD12 ILE 57 1HD1 ILE 57 2.262 0.659 3.448 473 HD13 ILE 57 2HD1 ILE 57 0.505 0.511 3.328 474 H LYS 58 H LYS 58 2.469 -0.455 7.170 475 HA LYS 58 HA LYS 58 2.317 -2.879 8.846 476 HB2 LYS 58 2HB LYS 58 4.618 -1.912 8.961 477 HB3 LYS 58 3HB LYS 58 3.952 -0.354 9.439 478 HG2 LYS 58 2HG LYS 58 3.267 -1.196 11.571 479 HG3 LYS 58 3HG LYS 58 3.538 -2.872 11.078 480 HD2 LYS 58 2HD LYS 58 6.007 -2.305 10.843 481 HD3 LYS 58 3HD LYS 58 5.656 -0.740 11.577 482 HE2 LYS 58 2HE LYS 58 5.112 -1.729 13.674 483 HE3 LYS 58 3HE LYS 58 4.945 -3.338 12.964 484 HZ1 LYS 58 3HZ LYS 58 7.287 -3.452 12.614 485 HZ2 LYS 58 1HZ LYS 58 7.021 -3.025 14.228 486 HZ3 LYS 58 2HZ LYS 58 7.517 -1.851 13.117 487 H VAL 59 H VAL 59 0.186 -2.786 9.358 488 HA VAL 59 HA VAL 59 -1.092 -0.167 9.882 489 HB VAL 59 HB VAL 59 -2.432 -2.855 9.270 490 HG11 VAL 59 1HG1 VAL 59 -4.512 -1.538 9.008 491 HG12 VAL 59 2HG1 VAL 59 -3.657 -0.075 9.502 492 HG13 VAL 59 3HG1 VAL 59 -3.868 -1.404 10.645 493 HG21 VAL 59 3HG2 VAL 59 -2.964 -1.909 7.051 494 HG22 VAL 59 1HG2 VAL 59 -1.219 -2.002 7.302 495 HG23 VAL 59 2HG2 VAL 59 -2.047 -0.450 7.442 496 H LYS 60 H LYS 60 -1.053 0.310 12.004 497 HA LYS 60 HA LYS 60 -1.516 -1.716 14.065 498 HB2 LYS 60 2HB LYS 60 0.165 0.101 14.446 499 HB3 LYS 60 3HB LYS 60 -1.111 1.307 14.301 500 HG2 LYS 60 2HG LYS 60 -2.240 0.297 16.303 501 HG3 LYS 60 3HG LYS 60 -0.885 -0.825 16.463 502 HD2 LYS 60 2HD LYS 60 -0.622 1.055 18.024 503 HD3 LYS 60 3HD LYS 60 0.657 1.098 16.810 504 HE2 LYS 60 2HE LYS 60 -0.570 2.851 15.578 505 HE3 LYS 60 3HE LYS 60 -1.868 2.789 16.772 506 HZ1 LYS 60 3HZ LYS 60 -0.298 3.506 18.456 507 HZ2 LYS 60 1HZ LYS 60 -0.378 4.627 17.193 508 HZ3 LYS 60 2HZ LYS 60 0.944 3.580 17.315 509 H ALA 61 H ALA 61 -3.581 -2.278 14.351 510 HA ALA 61 HA ALA 61 -5.735 -0.278 14.419 511 HB1 ALA 61 3HB ALA 61 -7.197 -1.656 12.985 512 HB2 ALA 61 1HB ALA 61 -5.884 -2.811 12.733 513 HB3 ALA 61 2HB ALA 61 -5.747 -1.170 12.104 514 H ASP 62 H ASP 62 -7.793 -1.409 15.167 515 HA ASP 62 HA ASP 62 -7.541 -2.425 17.739 516 HB2 ASP 62 2HB ASP 62 -9.585 -1.352 17.086 517 HB3 ASP 62 3HB ASP 62 -9.812 -2.437 15.721 518 H THR 63 H THR 63 -8.661 -4.247 14.883 519 HA THR 63 HA THR 63 -7.445 -6.727 15.948 520 HB THR 63 HB THR 63 -9.490 -7.930 14.890 521 HG1 THR 63 HG1 THR 63 -10.794 -5.442 15.312 522 HG21 THR 63 3HG2 THR 63 -9.189 -7.801 17.352 523 HG22 THR 63 1HG2 THR 63 -10.892 -7.687 16.898 524 HG23 THR 63 2HG2 THR 63 -10.006 -6.237 17.368 525 H GLU 64 H GLU 64 -6.819 -8.275 14.296 526 HA GLU 64 HA GLU 64 -5.577 -6.914 12.138 527 HB2 GLU 64 2HB GLU 64 -4.562 -9.099 11.534 528 HB3 GLU 64 3HB GLU 64 -4.359 -8.673 13.224 529 HG2 GLU 64 2HG GLU 64 -4.766 -10.991 13.191 530 HG3 GLU 64 3HG GLU 64 -6.252 -10.246 13.763 531 H GLU 65 H GLU 65 -8.506 -8.811 12.357 532 HA GLU 65 HA GLU 65 -9.104 -9.382 9.701 533 HB2 GLU 65 2HB GLU 65 -10.477 -10.073 11.657 534 HB3 GLU 65 3HB GLU 65 -10.957 -8.400 11.930 535 HG2 GLU 65 2HG GLU 65 -11.978 -8.483 9.564 536 HG3 GLU 65 3HG GLU 65 -11.754 -10.228 9.647 537 H LYS 66 H LYS 66 -9.761 -6.466 11.566 538 HA LYS 66 HA LYS 66 -10.884 -4.930 9.428 539 HB2 LYS 66 2HB LYS 66 -9.798 -4.011 12.127 540 HB3 LYS 66 3HB LYS 66 -10.838 -3.076 11.052 541 HG2 LYS 66 2HG LYS 66 -12.626 -4.809 11.321 542 HG3 LYS 66 3HG LYS 66 -11.585 -5.661 12.464 543 HD2 LYS 66 2HD LYS 66 -13.266 -4.324 13.655 544 HD3 LYS 66 3HD LYS 66 -11.644 -3.710 13.986 545 HE2 LYS 66 2HE LYS 66 -11.973 -1.833 12.518 546 HE3 LYS 66 3HE LYS 66 -13.469 -2.517 11.877 547 HZ1 LYS 66 3HZ LYS 66 -13.098 -1.693 14.703 548 HZ2 LYS 66 1HZ LYS 66 -14.535 -2.183 13.966 549 HZ3 LYS 66 2HZ LYS 66 -13.807 -0.730 13.514 550 H ALA 67 H ALA 67 -7.673 -5.338 10.803 551 HA ALA 67 HA ALA 67 -6.397 -3.168 9.469 552 HB1 ALA 67 3HB ALA 67 -5.480 -4.201 11.494 553 HB2 ALA 67 1HB ALA 67 -4.305 -4.225 10.180 554 HB3 ALA 67 2HB ALA 67 -5.178 -5.700 10.613 555 H LYS 68 H LYS 68 -7.036 -6.537 8.556 556 HA LYS 68 HA LYS 68 -5.419 -6.583 6.188 557 HB2 LYS 68 2HB LYS 68 -7.857 -8.298 6.888 558 HB3 LYS 68 3HB LYS 68 -6.766 -8.599 5.548 559 HG2 LYS 68 2HG LYS 68 -6.068 -8.784 8.488 560 HG3 LYS 68 3HG LYS 68 -6.352 -10.132 7.396 561 HD2 LYS 68 2HD LYS 68 -4.363 -9.577 6.114 562 HD3 LYS 68 3HD LYS 68 -4.108 -8.113 7.073 563 HE2 LYS 68 2HE LYS 68 -2.616 -9.962 7.773 564 HE3 LYS 68 3HE LYS 68 -3.691 -9.456 9.075 565 HZ1 LYS 68 3HZ LYS 68 -3.457 -11.886 8.856 566 HZ2 LYS 68 1HZ LYS 68 -4.179 -11.814 7.329 567 HZ3 LYS 68 2HZ LYS 68 -5.059 -11.368 8.707 568 H SER 69 H SER 69 -8.757 -5.691 6.950 569 HA SER 69 HA SER 69 -9.709 -5.258 4.321 570 HB2 SER 69 2HB SER 69 -11.195 -5.441 6.280 571 HB3 SER 69 3HB SER 69 -10.549 -3.936 6.939 572 HG SER 69 HG SER 69 -11.677 -2.813 5.505 573 H ILE 70 H ILE 70 -7.956 -3.165 6.615 574 HA ILE 70 HA ILE 70 -7.962 -0.767 5.083 575 HB ILE 70 HB ILE 70 -5.965 -1.747 7.183 576 HG12 ILE 70 2HG1 ILE 70 -8.229 0.271 7.552 577 HG13 ILE 70 3HG1 ILE 70 -8.457 -1.450 7.821 578 HG21 ILE 70 1HG2 ILE 70 -4.910 0.003 5.825 579 HG22 ILE 70 2HG2 ILE 70 -5.270 0.618 7.437 580 HG23 ILE 70 3HG2 ILE 70 -6.297 1.067 6.075 581 HD11 ILE 70 3HD1 ILE 70 -8.090 -0.224 9.882 582 HD12 ILE 70 1HD1 ILE 70 -6.504 0.288 9.306 583 HD13 ILE 70 2HD1 ILE 70 -6.828 -1.422 9.597 584 H ILE 71 H ILE 71 -5.691 -3.514 5.278 585 HA ILE 71 HA ILE 71 -3.778 -2.667 3.395 586 HB ILE 71 HB ILE 71 -4.649 -5.499 4.148 587 HG12 ILE 71 2HG1 ILE 71 -2.206 -3.922 5.097 588 HG13 ILE 71 3HG1 ILE 71 -3.705 -4.050 6.006 589 HG21 ILE 71 1HG2 ILE 71 -3.521 -5.573 1.962 590 HG22 ILE 71 2HG2 ILE 71 -2.504 -6.301 3.204 591 HG23 ILE 71 3HG2 ILE 71 -2.149 -4.675 2.620 592 HD11 ILE 71 3HD1 ILE 71 -3.384 -6.484 6.165 593 HD12 ILE 71 1HD1 ILE 71 -2.062 -5.569 6.886 594 HD13 ILE 71 2HD1 ILE 71 -1.849 -6.321 5.306 595 H LYS 72 H LYS 72 -6.873 -4.410 2.986 596 HA LYS 72 HA LYS 72 -6.763 -4.951 0.230 597 HB2 LYS 72 2HB LYS 72 -8.476 -6.010 1.559 598 HB3 LYS 72 3HB LYS 72 -9.090 -4.470 2.133 599 HG2 LYS 72 2HG LYS 72 -10.657 -5.466 0.562 600 HG3 LYS 72 3HG LYS 72 -10.000 -3.973 -0.097 601 HD2 LYS 72 2HD LYS 72 -10.117 -5.514 -1.909 602 HD3 LYS 72 3HD LYS 72 -8.413 -5.409 -1.482 603 HE2 LYS 72 2HE LYS 72 -10.211 -7.637 -0.475 604 HE3 LYS 72 3HE LYS 72 -9.345 -7.734 -2.006 605 HZ1 LYS 72 3HZ LYS 72 -7.264 -7.476 -0.799 606 HZ2 LYS 72 1HZ LYS 72 -8.126 -8.820 -0.250 607 HZ3 LYS 72 2HZ LYS 72 -8.099 -7.405 0.669 608 H LEU 73 H LEU 73 -7.944 -2.061 1.985 609 HA LEU 73 HA LEU 73 -8.830 -0.611 -0.282 610 HB2 LEU 73 2HB LEU 73 -8.200 0.102 2.570 611 HB3 LEU 73 3HB LEU 73 -8.317 1.421 1.421 612 HG LEU 73 HG LEU 73 -10.646 0.824 0.899 613 HD11 LEU 73 1HD1 LEU 73 -11.881 -0.891 2.109 614 HD12 LEU 73 2HD1 LEU 73 -10.409 -1.397 2.936 615 HD13 LEU 73 3HD1 LEU 73 -10.556 -1.605 1.191 616 HD21 LEU 73 3HD2 LEU 73 -11.675 1.421 3.063 617 HD22 LEU 73 1HD2 LEU 73 -10.248 2.399 2.723 618 HD23 LEU 73 2HD2 LEU 73 -10.151 1.075 3.884 619 H ILE 74 H ILE 74 -5.686 -0.630 1.415 620 HA ILE 74 HA ILE 74 -4.409 1.414 -0.062 621 HB ILE 74 HB ILE 74 -3.190 -0.988 1.392 622 HG12 ILE 74 2HG1 ILE 74 -3.549 1.896 2.358 623 HG13 ILE 74 3HG1 ILE 74 -4.545 0.537 2.853 624 HG21 ILE 74 1HG2 ILE 74 -1.798 1.545 0.445 625 HG22 ILE 74 2HG2 ILE 74 -1.566 -0.074 -0.215 626 HG23 ILE 74 3HG2 ILE 74 -1.065 0.283 1.437 627 HD11 ILE 74 3HD1 ILE 74 -2.586 -0.505 3.904 628 HD12 ILE 74 1HD1 ILE 74 -2.945 1.089 4.565 629 HD13 ILE 74 2HD1 ILE 74 -1.607 0.888 3.434 630 H GLU 75 H GLU 75 -4.518 -2.111 -0.478 631 HA GLU 75 HA GLU 75 -2.644 -2.249 -2.593 632 HB2 GLU 75 2HB GLU 75 -4.691 -4.249 -1.573 633 HB3 GLU 75 3HB GLU 75 -3.543 -4.624 -2.852 634 HG2 GLU 75 2HG GLU 75 -2.863 -3.872 0.004 635 HG3 GLU 75 3HG GLU 75 -2.745 -5.476 -0.724 636 H GLU 76 H GLU 76 -6.234 -2.233 -2.605 637 HA GLU 76 HA GLU 76 -6.516 -2.702 -5.398 638 HB2 GLU 76 2HB GLU 76 -8.435 -1.305 -3.488 639 HB3 GLU 76 3HB GLU 76 -8.832 -1.753 -5.143 640 HG2 GLU 76 2HG GLU 76 -8.226 -3.601 -2.834 641 HG3 GLU 76 3HG GLU 76 -9.758 -3.406 -3.678 642 H ARG 77 H ARG 77 -6.174 0.236 -3.499 643 HA ARG 77 HA ARG 77 -6.675 2.088 -5.604 644 HB2 ARG 77 2HB ARG 77 -5.437 2.293 -2.843 645 HB3 ARG 77 3HB ARG 77 -5.489 3.680 -3.916 646 HG2 ARG 77 2HG ARG 77 -7.965 2.162 -3.053 647 HG3 ARG 77 3HG ARG 77 -7.331 3.578 -2.210 648 HD2 ARG 77 2HD ARG 77 -7.573 4.904 -4.306 649 HD3 ARG 77 3HD ARG 77 -8.288 3.492 -5.093 650 HE ARG 77 HE ARG 77 -9.711 4.070 -2.736 651 HH11 ARG 77 1HH1 ARG 77 -9.282 5.377 -5.991 652 HH12 ARG 77 2HH1 ARG 77 -10.845 6.138 -6.002 653 HH21 ARG 77 1HH2 ARG 77 -11.712 5.116 -2.765 654 HH22 ARG 77 2HH2 ARG 77 -12.214 5.991 -4.179 655 H ILE 78 H ILE 78 -3.598 0.933 -4.057 656 HA ILE 78 HA ILE 78 -1.931 2.540 -5.704 657 HB ILE 78 HB ILE 78 0.020 1.300 -4.888 658 HG12 ILE 78 2HG1 ILE 78 -1.898 -0.606 -3.469 659 HG13 ILE 78 3HG1 ILE 78 -0.970 -1.011 -4.904 660 HG21 ILE 78 1HG2 ILE 78 -0.904 3.042 -3.428 661 HG22 ILE 78 2HG2 ILE 78 -0.196 1.745 -2.464 662 HG23 ILE 78 3HG2 ILE 78 -1.949 1.857 -2.639 663 HD11 ILE 78 3HD1 ILE 78 0.056 -1.936 -2.932 664 HD12 ILE 78 1HD1 ILE 78 0.163 -0.340 -2.189 665 HD13 ILE 78 2HD1 ILE 78 1.109 -0.710 -3.634 666 H GLU 79 H GLU 79 -2.978 -0.874 -5.925 667 HA GLU 79 HA GLU 79 -1.480 -1.678 -8.158 668 HB2 GLU 79 2HB GLU 79 -2.700 -3.331 -6.829 669 HB3 GLU 79 3HB GLU 79 -4.246 -2.589 -7.225 670 HG2 GLU 79 2HG GLU 79 -3.865 -3.209 -9.635 671 HG3 GLU 79 3HG GLU 79 -2.402 -4.055 -9.147 672 H GLU 80 H GLU 80 -4.697 -0.167 -7.932 673 HA GLU 80 HA GLU 80 -5.350 -0.238 -10.678 674 HB2 GLU 80 2HB GLU 80 -6.999 0.077 -8.855 675 HB3 GLU 80 3HB GLU 80 -6.332 1.672 -8.515 676 HG2 GLU 80 2HG GLU 80 -7.046 2.472 -10.722 677 HG3 GLU 80 3HG GLU 80 -7.632 0.864 -11.144 678 H GLU 81 H GLU 81 -3.889 2.335 -8.671 679 HA GLU 81 HA GLU 81 -3.736 4.247 -10.788 680 HB2 GLU 81 2HB GLU 81 -2.441 4.211 -8.043 681 HB3 GLU 81 3HB GLU 81 -2.297 5.555 -9.170 682 HG2 GLU 81 2HG GLU 81 -4.867 4.520 -7.943 683 HG3 GLU 81 3HG GLU 81 -4.030 6.013 -7.518 684 H LEU 82 H LEU 82 -1.533 1.805 -9.603 685 HA LEU 82 HA LEU 82 0.753 2.514 -11.127 686 HB2 LEU 82 2HB LEU 82 -0.296 -0.147 -10.083 687 HB3 LEU 82 3HB LEU 82 1.191 -0.050 -11.001 688 HG LEU 82 HG LEU 82 0.740 1.388 -8.350 689 HD11 LEU 82 1HD1 LEU 82 2.175 -0.324 -7.326 690 HD12 LEU 82 2HD1 LEU 82 2.244 -1.202 -8.857 691 HD13 LEU 82 3HD1 LEU 82 0.710 -1.039 -8.001 692 HD21 LEU 82 3HD2 LEU 82 3.273 0.974 -9.962 693 HD22 LEU 82 1HD2 LEU 82 3.169 1.731 -8.370 694 HD23 LEU 82 2HD2 LEU 82 2.397 2.492 -9.758 695 H ARG 83 H ARG 83 -1.971 0.307 -11.753 696 HA ARG 83 HA ARG 83 -1.299 -0.435 -14.392 697 HB2 ARG 83 2HB ARG 83 -3.926 -0.549 -12.855 698 HB3 ARG 83 3HB ARG 83 -3.781 -1.152 -14.503 699 HG2 ARG 83 2HG ARG 83 -2.083 -2.792 -13.776 700 HG3 ARG 83 3HG ARG 83 -2.190 -2.181 -12.122 701 HD2 ARG 83 2HD ARG 83 -3.501 -4.259 -12.439 702 HD3 ARG 83 3HD ARG 83 -4.520 -2.897 -11.962 703 HE ARG 83 HE ARG 83 -4.433 -3.172 -14.792 704 HH11 ARG 83 1HH1 ARG 83 -5.935 -4.668 -11.965 705 HH12 ARG 83 2HH1 ARG 83 -7.300 -5.253 -12.863 706 HH21 ARG 83 1HH2 ARG 83 -6.236 -3.931 -15.926 707 HH22 ARG 83 2HH2 ARG 83 -7.465 -4.836 -15.096 708 H LYS 84 H LYS 84 -2.934 2.424 -13.200 709 HA LYS 84 HA LYS 84 -4.293 3.305 -15.501 710 HB2 LYS 84 2HB LYS 84 -2.860 4.907 -13.328 711 HB3 LYS 84 3HB LYS 84 -3.850 5.657 -14.569 712 HG2 LYS 84 2HG LYS 84 -4.867 3.675 -12.518 713 HG3 LYS 84 3HG LYS 84 -4.985 5.426 -12.373 714 HD2 LYS 84 2HD LYS 84 -6.394 5.506 -14.397 715 HD3 LYS 84 3HD LYS 84 -6.269 3.751 -14.562 716 HE2 LYS 84 2HE LYS 84 -7.392 3.483 -12.362 717 HE3 LYS 84 3HE LYS 84 -7.542 5.237 -12.235 718 HZ1 LYS 84 3HZ LYS 84 -8.761 3.557 -14.361 719 HZ2 LYS 84 1HZ LYS 84 -8.932 5.231 -14.202 720 HZ3 LYS 84 2HZ LYS 84 -9.580 4.199 -13.029 721 H ARG 85 H ARG 85 -0.897 3.697 -14.496 722 HA ARG 85 HA ARG 85 -0.205 4.967 -17.092 723 HB2 ARG 85 2HB ARG 85 1.252 6.527 -15.865 724 HB3 ARG 85 3HB ARG 85 -0.424 6.667 -15.352 725 HG2 ARG 85 2HG ARG 85 0.387 4.970 -13.440 726 HG3 ARG 85 3HG ARG 85 1.961 5.668 -13.825 727 HD2 ARG 85 2HD ARG 85 1.178 7.024 -12.079 728 HD3 ARG 85 3HD ARG 85 0.775 7.975 -13.509 729 HE ARG 85 HE ARG 85 -1.163 6.297 -12.005 730 HH11 ARG 85 1HH1 ARG 85 -0.477 9.222 -13.843 731 HH12 ARG 85 2HH1 ARG 85 -2.086 9.846 -13.665 732 HH21 ARG 85 1HH2 ARG 85 -3.255 7.176 -11.721 733 HH22 ARG 85 2HH2 ARG 85 -3.649 8.688 -12.470 734 H ASP 86 H ASP 86 0.232 2.179 -15.657 735 HA ASP 86 HA ASP 86 2.636 1.443 -16.976 736 HB2 ASP 86 2HB ASP 86 3.534 2.691 -14.871 737 HB3 ASP 86 3HB ASP 86 2.890 1.364 -13.920 738 HA PRO 87 HA PRO 87 -0.632 -1.768 -16.184 739 HB2 PRO 87 2HB PRO 87 -0.368 -3.170 -18.536 740 HB3 PRO 87 3HB PRO 87 -1.232 -1.622 -18.425 741 HG2 PRO 87 2HG PRO 87 1.579 -2.133 -19.347 742 HG3 PRO 87 3HG PRO 87 0.324 -1.109 -20.084 743 HD2 PRO 87 2HD PRO 87 2.301 -0.064 -18.541 744 HD3 PRO 87 3HD PRO 87 0.667 0.637 -18.576 745 H ASN 88 H ASN 88 2.811 -2.292 -16.640 746 HA ASN 88 HA ASN 88 2.564 -5.080 -15.642 747 HB2 ASN 88 2HB ASN 88 4.922 -3.705 -17.002 748 HB3 ASN 88 3HB ASN 88 5.033 -5.288 -16.242 749 HD21 ASN 88 1HD2 ASN 88 2.190 -5.897 -17.267 750 HD22 ASN 88 2HD2 ASN 88 2.455 -6.305 -18.922 751 H ALA 89 H ALA 89 2.678 -2.188 -14.243 752 HA ALA 89 HA ALA 89 4.713 -2.587 -12.248 753 HB1 ALA 89 3HB ALA 89 2.295 -0.738 -12.212 754 HB2 ALA 89 1HB ALA 89 3.914 -0.324 -12.777 755 HB3 ALA 89 2HB ALA 89 3.646 -0.695 -11.075 756 H THR 90 H THR 90 4.239 -4.795 -11.800 757 HA THR 90 HA THR 90 1.696 -5.582 -10.609 758 HB THR 90 HB THR 90 4.170 -7.256 -11.262 759 HG1 THR 90 HG1 THR 90 3.099 -6.061 -13.054 760 HG21 THR 90 3HG2 THR 90 1.266 -8.099 -10.890 761 HG22 THR 90 1HG2 THR 90 2.565 -8.389 -9.732 762 HG23 THR 90 2HG2 THR 90 2.608 -9.162 -11.318 763 H ILE 91 H ILE 91 1.459 -6.211 -8.474 764 HA ILE 91 HA ILE 91 3.723 -5.661 -6.665 765 HB ILE 91 HB ILE 91 2.209 -5.299 -4.887 766 HG12 ILE 91 2HG1 ILE 91 0.546 -7.126 -5.281 767 HG13 ILE 91 3HG1 ILE 91 -0.215 -5.597 -4.883 768 HG21 ILE 91 1HG2 ILE 91 2.455 -3.431 -6.431 769 HG22 ILE 91 2HG2 ILE 91 0.842 -3.414 -5.712 770 HG23 ILE 91 3HG2 ILE 91 1.065 -3.985 -7.366 771 HD11 ILE 91 3HD1 ILE 91 -1.444 -6.793 -6.591 772 HD12 ILE 91 1HD1 ILE 91 -0.027 -6.814 -7.638 773 HD13 ILE 91 2HD1 ILE 91 -0.809 -5.282 -7.237 774 H THR 92 H THR 92 4.628 -7.183 -5.423 775 HA THR 92 HA THR 92 3.592 -9.962 -5.459 776 HB THR 92 HB THR 92 6.384 -8.927 -4.698 777 HG1 THR 92 HG1 THR 92 5.253 -9.601 -7.124 778 HG21 THR 92 3HG2 THR 92 5.412 -11.786 -5.119 779 HG22 THR 92 1HG2 THR 92 5.861 -11.067 -3.571 780 HG23 THR 92 2HG2 THR 92 7.082 -11.298 -4.825 781 H ARG 93 H ARG 93 2.246 -10.204 -3.695 782 HA ARG 93 HA ARG 93 2.773 -8.628 -1.261 783 HB2 ARG 93 2HB ARG 93 0.543 -8.490 -2.422 784 HB3 ARG 93 3HB ARG 93 0.256 -10.179 -2.006 785 HG2 ARG 93 2HG ARG 93 0.384 -9.611 0.399 786 HG3 ARG 93 3HG ARG 93 0.715 -7.925 -0.017 787 HD2 ARG 93 2HD ARG 93 -1.832 -9.481 -0.544 788 HD3 ARG 93 3HD ARG 93 -1.622 -8.112 0.557 789 HE ARG 93 HE ARG 93 -1.175 -6.724 -1.446 790 HH11 ARG 93 1HH1 ARG 93 -2.996 -9.710 -1.885 791 HH12 ARG 93 2HH1 ARG 93 -3.772 -9.158 -3.338 792 HH21 ARG 93 1HH2 ARG 93 -2.139 -6.029 -3.345 793 HH22 ARG 93 2HH2 ARG 93 -3.283 -7.050 -4.176 794 H THR 94 H THR 94 3.906 -9.621 0.206 795 HA THR 94 HA THR 94 3.402 -12.438 0.941 796 HB THR 94 HB THR 94 6.098 -10.968 1.073 797 HG1 THR 94 HG1 THR 94 5.936 -11.400 -1.028 798 HG21 THR 94 3HG2 THR 94 5.423 -13.902 1.535 799 HG22 THR 94 1HG2 THR 94 5.873 -12.740 2.786 800 HG23 THR 94 2HG2 THR 94 7.043 -13.203 1.549 801 H VAL 95 H VAL 95 2.293 -12.279 2.840 802 HA VAL 95 HA VAL 95 2.398 -9.930 4.487 803 HB VAL 95 HB VAL 95 0.285 -11.066 4.294 804 HG11 VAL 95 1HG1 VAL 95 -0.178 -13.320 5.165 805 HG12 VAL 95 2HG1 VAL 95 1.531 -13.526 5.552 806 HG13 VAL 95 3HG1 VAL 95 1.024 -13.352 3.872 807 HG21 VAL 95 3HG2 VAL 95 0.695 -9.894 6.426 808 HG22 VAL 95 1HG2 VAL 95 1.308 -11.386 7.146 809 HG23 VAL 95 2HG2 VAL 95 -0.387 -11.268 6.662 810 H ARG 96 H ARG 96 3.829 -9.480 6.001 811 HA ARG 96 HA ARG 96 6.075 -11.217 6.428 812 HB2 ARG 96 2HB ARG 96 6.098 -8.653 6.141 813 HB3 ARG 96 3HB ARG 96 5.537 -8.548 7.804 814 HG2 ARG 96 2HG ARG 96 7.911 -8.202 7.814 815 HG3 ARG 96 3HG ARG 96 7.618 -9.802 8.501 816 HD2 ARG 96 2HD ARG 96 8.181 -10.829 6.295 817 HD3 ARG 96 3HD ARG 96 8.518 -9.217 5.648 818 HE ARG 96 HE ARG 96 10.013 -9.968 8.022 819 HH11 ARG 96 1HH1 ARG 96 10.075 -9.856 4.493 820 HH12 ARG 96 2HH1 ARG 96 11.805 -9.956 4.418 821 HH21 ARG 96 1HH2 ARG 96 12.275 -10.064 7.885 822 HH22 ARG 96 2HH2 ARG 96 13.044 -10.069 6.328 823 H THR 97 H THR 97 3.274 -10.241 8.302 824 HA THR 97 HA THR 97 4.069 -11.573 10.755 825 HB THR 97 HB THR 97 1.348 -10.458 9.895 826 HG1 THR 97 HG1 THR 97 3.650 -9.242 10.658 827 HG21 THR 97 3HG2 THR 97 0.819 -10.387 12.308 828 HG22 THR 97 1HG2 THR 97 2.364 -11.151 12.687 829 HG23 THR 97 2HG2 THR 97 1.130 -12.046 11.796 830 H GLU 98 H GLU 98 4.298 -13.767 10.497 831 HA GLU 98 HA GLU 98 2.219 -15.377 9.120 832 HB2 GLU 98 2HB GLU 98 5.184 -15.854 9.623 833 HB3 GLU 98 3HB GLU 98 4.112 -17.211 9.314 834 HG2 GLU 98 2HG GLU 98 4.453 -14.874 7.420 835 HG3 GLU 98 3HG GLU 98 5.359 -16.382 7.305 836 H VAL 99 H VAL 99 1.219 -17.054 10.225 837 HA VAL 99 HA VAL 99 1.867 -17.469 13.074 838 HB VAL 99 HB VAL 99 -0.015 -15.880 13.010 839 HG11 VAL 99 1HG1 VAL 99 -2.221 -16.446 12.082 840 HG12 VAL 99 2HG1 VAL 99 -1.578 -17.962 11.448 841 HG13 VAL 99 3HG1 VAL 99 -0.982 -16.423 10.824 842 HG21 VAL 99 3HG2 VAL 99 -0.892 -18.639 13.957 843 HG22 VAL 99 1HG2 VAL 99 -1.599 -17.102 14.469 844 HG23 VAL 99 2HG2 VAL 99 0.075 -17.481 14.872 845 H GLY 100 H GLY 100 1.936 -19.525 13.628 846 HA2 GLY 100 2HA GLY 100 0.294 -21.602 12.385 847 HA3 GLY 100 3HA GLY 100 2.042 -21.792 12.231 848 H SER 101 H SER 101 0.617 -20.211 14.970 849 HA SER 101 HA SER 101 2.034 -21.785 16.852 850 HB2 SER 101 2HB SER 101 -0.221 -19.799 17.388 851 HB3 SER 101 3HB SER 101 1.034 -20.312 18.523 852 HG SER 101 HG SER 101 2.553 -19.386 16.947 853 H SER 102 H SER 102 1.379 -23.931 16.764 854 HA SER 102 HA SER 102 -0.698 -24.658 18.545 855 HB2 SER 102 2HB SER 102 -2.039 -24.240 16.381 856 HB3 SER 102 3HB SER 102 -1.215 -25.640 15.693 857 HG SER 102 HG SER 102 -3.184 -25.494 17.660 858 H TRP 103 H TRP 103 -0.975 -27.233 18.400 859 HA TRP 103 HA TRP 103 1.624 -28.511 17.877 860 HB2 TRP 103 2HB TRP 103 1.729 -29.472 20.137 861 HB3 TRP 103 3HB TRP 103 1.737 -27.719 20.213 862 HD1 TRP 103 HD1 TRP 103 -1.306 -27.005 20.329 863 HE1 TRP 103 HE1 TRP 103 -2.733 -27.676 22.353 864 HE3 TRP 103 HE3 TRP 103 1.571 -30.836 22.122 865 HZ2 TRP 103 HZ2 TRP 103 -2.656 -29.564 24.445 866 HZ3 TRP 103 HZ3 TRP 103 0.828 -32.025 24.142 867 HH2 TRP 103 HH2 TRP 103 -1.244 -31.402 25.283 868 H SER 104 H SER 104 1.551 -30.836 17.911 869 HA SER 104 HA SER 104 -1.076 -31.888 17.014 870 HB2 SER 104 2HB SER 104 0.676 -31.579 15.246 871 HB3 SER 104 3HB SER 104 1.715 -32.724 16.094 872 HG SER 104 HG SER 104 -0.542 -33.161 14.541 873 H LEU 105 H LEU 105 -1.896 -33.244 18.464 874 HA LEU 105 HA LEU 105 -0.283 -34.378 20.598 875 HB2 LEU 105 2HB LEU 105 -3.301 -34.464 20.144 876 HB3 LEU 105 3HB LEU 105 -2.466 -35.014 21.586 877 HG LEU 105 HG LEU 105 -1.617 -32.534 21.794 878 HD11 LEU 105 1HD1 LEU 105 -2.294 -31.742 19.585 879 HD12 LEU 105 2HD1 LEU 105 -3.086 -30.818 20.858 880 HD13 LEU 105 3HD1 LEU 105 -3.990 -32.051 19.974 881 HD21 LEU 105 3HD2 LEU 105 -3.186 -33.588 23.359 882 HD22 LEU 105 1HD2 LEU 105 -4.538 -33.204 22.290 883 HD23 LEU 105 2HD2 LEU 105 -3.626 -31.907 23.069 884 H GLU 106 H GLU 106 0.624 -36.332 20.388 885 HA GLU 106 HA GLU 106 -0.862 -38.553 19.126 886 HB2 GLU 106 2HB GLU 106 0.804 -37.785 17.474 887 HB3 GLU 106 3HB GLU 106 2.091 -37.885 18.668 888 HG2 GLU 106 2HG GLU 106 2.156 -39.780 17.087 889 HG3 GLU 106 3HG GLU 106 1.889 -40.321 18.744 890 H HIS 107 H HIS 107 -1.050 -40.211 20.473 891 HA HIS 107 HA HIS 107 1.094 -41.146 22.168 892 HB2 HIS 107 2HB HIS 107 -1.420 -39.951 23.398 893 HB3 HIS 107 3HB HIS 107 -0.606 -41.283 24.207 894 HD1 HIS 107 HD1 HIS 107 -0.617 -37.673 24.042 895 HD2 HIS 107 HD2 HIS 107 2.243 -40.586 24.812 896 HE1 HIS 107 HE1 HIS 107 1.252 -36.486 25.218 897 HE2 HIS 107 HE2 HIS 107 2.859 -38.311 25.863 898 H HIS 108 H HIS 108 0.532 -42.560 20.187 899 HA HIS 108 HA HIS 108 -0.997 -44.870 21.272 900 HB2 HIS 108 2HB HIS 108 -0.829 -43.959 18.365 901 HB3 HIS 108 3HB HIS 108 -1.370 -45.565 18.831 902 HD1 HIS 108 HD1 HIS 108 -3.628 -45.648 20.257 903 HD2 HIS 108 HD2 HIS 108 -2.804 -42.034 18.383 904 HE1 HIS 108 HE1 HIS 108 -5.803 -44.406 20.202 905 HE2 HIS 108 HE2 HIS 108 -5.247 -42.180 19.194 906 H HIS 109 H HIS 109 1.855 -44.045 21.481 907 HA HIS 109 HA HIS 109 3.401 -45.837 19.842 908 HB2 HIS 109 2HB HIS 109 4.173 -44.223 22.313 909 HB3 HIS 109 3HB HIS 109 5.310 -45.180 21.366 910 HD1 HIS 109 HD1 HIS 109 6.515 -43.882 19.621 911 HD2 HIS 109 HD2 HIS 109 2.866 -42.137 20.564 912 HE1 HIS 109 HE1 HIS 109 6.403 -41.783 18.265 913 HE2 HIS 109 HE2 HIS 109 4.328 -40.626 19.069 914 H HIS 110 H HIS 110 3.156 -47.946 20.092 915 HA HIS 110 HA HIS 110 3.622 -49.223 22.697 916 HB2 HIS 110 2HB HIS 110 1.726 -50.808 22.372 917 HB3 HIS 110 3HB HIS 110 1.155 -49.155 22.508 918 HD1 HIS 110 HD1 HIS 110 0.016 -48.110 20.454 919 HD2 HIS 110 HD2 HIS 110 1.296 -52.010 19.811 920 HE1 HIS 110 HE1 HIS 110 -1.026 -48.813 18.284 921 HE2 HIS 110 HE2 HIS 110 -0.087 -51.098 17.828 922 H HIS 111 H HIS 111 4.516 -51.315 22.507 923 HA HIS 111 HA HIS 111 5.188 -52.264 19.788 924 HB2 HIS 111 2HB HIS 111 6.705 -53.892 20.926 925 HB3 HIS 111 3HB HIS 111 7.114 -52.222 21.275 926 HD1 HIS 111 HD1 HIS 111 5.673 -55.309 22.916 927 HD2 HIS 111 HD2 HIS 111 7.107 -51.558 23.984 928 HE1 HIS 111 HE1 HIS 111 5.837 -55.333 25.420 929 HE2 HIS 111 HE2 HIS 111 6.579 -53.020 26.043 930 H HIS 112 H HIS 112 3.560 -53.384 18.950 931 HA HIS 112 HA HIS 112 2.776 -55.919 19.959 932 HB2 HIS 112 2HB HIS 112 1.264 -54.557 21.404 933 HB3 HIS 112 3HB HIS 112 0.586 -53.782 19.980 934 HD1 HIS 112 HD1 HIS 112 -0.889 -55.370 18.392 935 HD2 HIS 112 HD2 HIS 112 0.097 -56.972 22.096 936 HE1 HIS 112 HE1 HIS 112 -2.476 -57.283 18.740 937 HE2 HIS 112 HE2 HIS 112 -1.915 -58.178 21.019 Start of MODEL 11 1 H1 MET 1 1H MET 1 -4.675 -4.070 21.223 2 H2 MET 1 2H MET 1 -5.608 -5.318 20.573 3 H3 MET 1 3H MET 1 -6.295 -3.791 20.811 4 HA MET 1 HA MET 1 -5.805 -4.170 18.490 5 HB2 MET 1 2HB MET 1 -4.002 -2.093 19.819 6 HB3 MET 1 3HB MET 1 -4.321 -2.151 18.092 7 HG2 MET 1 2HG MET 1 -6.716 -1.751 18.540 8 HG3 MET 1 3HG MET 1 -6.359 -1.638 20.264 9 HE1 MET 1 3HE MET 1 -5.877 0.022 16.718 10 HE2 MET 1 1HE MET 1 -4.200 -0.237 17.204 11 HE3 MET 1 2HE MET 1 -4.847 1.401 17.104 12 H LEU 2 H LEU 2 -4.441 -4.891 16.913 13 HA LEU 2 HA LEU 2 -1.747 -5.846 17.668 14 HB2 LEU 2 2HB LEU 2 -2.052 -7.588 15.855 15 HB3 LEU 2 3HB LEU 2 -3.040 -7.786 17.285 16 HG LEU 2 HG LEU 2 -4.977 -6.743 15.951 17 HD11 LEU 2 1HD1 LEU 2 -3.209 -7.333 13.554 18 HD12 LEU 2 2HD1 LEU 2 -3.737 -5.736 14.088 19 HD13 LEU 2 3HD1 LEU 2 -4.921 -6.900 13.505 20 HD21 LEU 2 3HD2 LEU 2 -3.899 -9.422 15.014 21 HD22 LEU 2 1HD2 LEU 2 -5.574 -8.871 14.901 22 HD23 LEU 2 2HD2 LEU 2 -4.842 -9.140 16.479 23 H THR 3 H THR 3 -0.167 -5.841 15.942 24 HA THR 3 HA THR 3 -0.691 -3.824 13.827 25 HB THR 3 HB THR 3 1.993 -4.367 15.184 26 HG1 THR 3 HG1 THR 3 -0.133 -2.803 15.925 27 HG21 THR 3 3HG2 THR 3 1.096 -2.186 13.255 28 HG22 THR 3 1HG2 THR 3 2.215 -3.497 12.889 29 HG23 THR 3 2HG2 THR 3 2.667 -2.258 14.062 30 H VAL 4 H VAL 4 -0.815 -4.809 11.928 31 HA VAL 4 HA VAL 4 0.659 -7.304 11.376 32 HB VAL 4 HB VAL 4 -1.735 -7.460 10.953 33 HG11 VAL 4 1HG1 VAL 4 -1.461 -5.139 9.006 34 HG12 VAL 4 2HG1 VAL 4 -2.286 -5.100 10.565 35 HG13 VAL 4 3HG1 VAL 4 -2.916 -6.110 9.264 36 HG21 VAL 4 3HG2 VAL 4 -0.249 -8.735 9.462 37 HG22 VAL 4 1HG2 VAL 4 -0.191 -7.384 8.326 38 HG23 VAL 4 2HG2 VAL 4 -1.707 -8.242 8.606 39 H GLU 5 H GLU 5 2.285 -7.326 10.003 40 HA GLU 5 HA GLU 5 2.934 -4.957 8.352 41 HB2 GLU 5 2HB GLU 5 4.806 -7.079 9.505 42 HB3 GLU 5 3HB GLU 5 5.293 -5.717 8.501 43 HG2 GLU 5 2HG GLU 5 4.533 -4.157 10.269 44 HG3 GLU 5 3HG GLU 5 4.076 -5.530 11.272 45 H VAL 6 H VAL 6 3.139 -5.259 6.225 46 HA VAL 6 HA VAL 6 3.333 -7.935 5.028 47 HB VAL 6 HB VAL 6 0.919 -7.471 5.017 48 HG11 VAL 6 1HG1 VAL 6 0.987 -5.036 5.249 49 HG12 VAL 6 2HG1 VAL 6 -0.053 -5.510 3.909 50 HG13 VAL 6 3HG1 VAL 6 1.562 -4.875 3.588 51 HG21 VAL 6 3HG2 VAL 6 1.772 -8.617 3.015 52 HG22 VAL 6 1HG2 VAL 6 2.091 -7.071 2.226 53 HG23 VAL 6 2HG2 VAL 6 0.433 -7.563 2.575 54 H GLU 7 H GLU 7 4.799 -7.945 3.469 55 HA GLU 7 HA GLU 7 6.007 -5.470 2.455 56 HB2 GLU 7 2HB GLU 7 7.440 -7.313 3.325 57 HB3 GLU 7 3HB GLU 7 6.758 -8.413 2.130 58 HG2 GLU 7 2HG GLU 7 7.698 -6.887 0.336 59 HG3 GLU 7 3HG GLU 7 8.526 -6.003 1.622 60 H VAL 8 H VAL 8 4.753 -4.658 0.808 61 HA VAL 8 HA VAL 8 3.877 -6.465 -1.363 62 HB VAL 8 HB VAL 8 3.323 -3.466 -1.018 63 HG11 VAL 8 1HG1 VAL 8 1.545 -3.826 -2.712 64 HG12 VAL 8 2HG1 VAL 8 2.036 -5.515 -2.874 65 HG13 VAL 8 3HG1 VAL 8 3.143 -4.225 -3.346 66 HG21 VAL 8 3HG2 VAL 8 2.311 -4.710 0.860 67 HG22 VAL 8 1HG2 VAL 8 1.501 -5.801 -0.267 68 HG23 VAL 8 2HG2 VAL 8 1.058 -4.093 -0.214 69 H LYS 9 H LYS 9 5.623 -6.862 -2.656 70 HA LYS 9 HA LYS 9 7.570 -4.714 -3.160 71 HB2 LYS 9 2HB LYS 9 8.048 -7.280 -2.264 72 HB3 LYS 9 3HB LYS 9 8.261 -7.513 -3.999 73 HG2 LYS 9 2HG LYS 9 9.912 -5.673 -4.037 74 HG3 LYS 9 3HG LYS 9 9.688 -5.434 -2.307 75 HD2 LYS 9 2HD LYS 9 10.561 -7.736 -1.907 76 HD3 LYS 9 3HD LYS 9 10.838 -7.906 -3.646 77 HE2 LYS 9 2HE LYS 9 12.399 -5.977 -3.580 78 HE3 LYS 9 3HE LYS 9 12.137 -5.831 -1.838 79 HZ1 LYS 9 3HZ LYS 9 13.268 -8.216 -3.192 80 HZ2 LYS 9 1HZ LYS 9 13.100 -7.999 -1.522 81 HZ3 LYS 9 2HZ LYS 9 14.173 -7.031 -2.405 82 H ILE 10 H ILE 10 7.195 -3.660 -4.925 83 HA ILE 10 HA ILE 10 5.438 -4.670 -7.036 84 HB ILE 10 HB ILE 10 6.332 -1.827 -6.325 85 HG12 ILE 10 2HG1 ILE 10 3.691 -3.210 -5.617 86 HG13 ILE 10 3HG1 ILE 10 5.007 -2.933 -4.488 87 HG21 ILE 10 1HG2 ILE 10 4.104 -2.737 -8.194 88 HG22 ILE 10 2HG2 ILE 10 5.641 -2.019 -8.682 89 HG23 ILE 10 3HG2 ILE 10 4.475 -1.064 -7.770 90 HD11 ILE 10 3HD1 ILE 10 4.695 -0.517 -4.743 91 HD12 ILE 10 1HD1 ILE 10 3.240 -1.334 -4.169 92 HD13 ILE 10 2HD1 ILE 10 3.356 -0.822 -5.852 93 H THR 11 H THR 11 6.744 -5.614 -8.593 94 HA THR 11 HA THR 11 9.176 -4.284 -9.521 95 HB THR 11 HB THR 11 9.305 -6.702 -9.273 96 HG1 THR 11 HG1 THR 11 10.609 -6.064 -10.860 97 HG21 THR 11 3HG2 THR 11 6.955 -7.382 -9.671 98 HG22 THR 11 1HG2 THR 11 8.081 -8.304 -10.664 99 HG23 THR 11 2HG2 THR 11 7.140 -6.999 -11.385 100 H ALA 12 H ALA 12 8.911 -2.634 -10.905 101 HA ALA 12 HA ALA 12 6.678 -2.631 -12.855 102 HB1 ALA 12 3HB ALA 12 5.996 -1.270 -10.898 103 HB2 ALA 12 1HB ALA 12 6.250 -0.246 -12.315 104 HB3 ALA 12 2HB ALA 12 7.469 -0.313 -11.039 105 H ASP 13 H ASP 13 7.149 -1.541 -14.780 106 HA ASP 13 HA ASP 13 9.790 -1.480 -15.734 107 HB2 ASP 13 2HB ASP 13 7.916 -1.739 -17.264 108 HB3 ASP 13 3HB ASP 13 7.261 -0.172 -16.803 109 H ASP 14 H ASP 14 7.672 1.207 -14.693 110 HA ASP 14 HA ASP 14 10.065 2.926 -14.314 111 HB2 ASP 14 2HB ASP 14 7.108 3.648 -14.478 112 HB3 ASP 14 3HB ASP 14 8.362 4.791 -14.010 113 H GLU 15 H GLU 15 10.715 1.823 -12.406 114 HA GLU 15 HA GLU 15 9.017 1.420 -10.145 115 HB2 GLU 15 2HB GLU 15 10.976 0.672 -8.951 116 HB3 GLU 15 3HB GLU 15 11.110 0.100 -10.606 117 HG2 GLU 15 2HG GLU 15 12.573 2.504 -9.480 118 HG3 GLU 15 3HG GLU 15 13.266 0.901 -9.666 119 H ASN 16 H ASN 16 11.063 4.109 -11.148 120 HA ASN 16 HA ASN 16 11.095 5.471 -8.630 121 HB2 ASN 16 2HB ASN 16 12.008 7.391 -9.861 122 HB3 ASN 16 3HB ASN 16 12.800 5.909 -10.382 123 HD21 ASN 16 1HD2 ASN 16 12.412 5.135 -12.504 124 HD22 ASN 16 2HD2 ASN 16 11.691 6.133 -13.716 125 H LYS 17 H LYS 17 9.069 5.682 -11.529 126 HA LYS 17 HA LYS 17 7.250 7.648 -10.537 127 HB2 LYS 17 2HB LYS 17 6.855 5.551 -12.724 128 HB3 LYS 17 3HB LYS 17 5.758 6.890 -12.399 129 HG2 LYS 17 2HG LYS 17 8.623 7.110 -13.365 130 HG3 LYS 17 3HG LYS 17 7.163 7.375 -14.323 131 HD2 LYS 17 2HD LYS 17 6.580 9.309 -12.867 132 HD3 LYS 17 3HD LYS 17 8.063 9.048 -11.945 133 HE2 LYS 17 2HE LYS 17 9.381 9.443 -14.039 134 HE3 LYS 17 3HE LYS 17 7.872 9.822 -14.874 135 HZ1 LYS 17 3HZ LYS 17 7.527 11.642 -13.291 136 HZ2 LYS 17 1HZ LYS 17 8.964 11.824 -14.164 137 HZ3 LYS 17 2HZ LYS 17 9.014 11.293 -12.559 138 H ALA 18 H ALA 18 7.417 4.107 -10.440 139 HA ALA 18 HA ALA 18 4.852 3.538 -9.455 140 HB1 ALA 18 3HB ALA 18 6.359 1.790 -10.319 141 HB2 ALA 18 1HB ALA 18 5.747 1.380 -8.717 142 HB3 ALA 18 2HB ALA 18 7.400 1.977 -8.908 143 H GLU 19 H GLU 19 7.859 4.303 -7.784 144 HA GLU 19 HA GLU 19 7.020 3.990 -5.125 145 HB2 GLU 19 2HB GLU 19 9.392 4.158 -5.727 146 HB3 GLU 19 3HB GLU 19 9.168 5.803 -6.321 147 HG2 GLU 19 2HG GLU 19 8.658 6.579 -4.061 148 HG3 GLU 19 3HG GLU 19 8.781 4.936 -3.435 149 H GLU 20 H GLU 20 7.151 6.913 -7.203 150 HA GLU 20 HA GLU 20 6.041 8.685 -5.296 151 HB2 GLU 20 2HB GLU 20 6.397 8.830 -8.291 152 HB3 GLU 20 3HB GLU 20 5.574 10.123 -7.423 153 HG2 GLU 20 2HG GLU 20 8.425 9.185 -6.999 154 HG3 GLU 20 3HG GLU 20 7.909 10.698 -7.744 155 H ILE 21 H ILE 21 4.485 6.681 -7.745 156 HA ILE 21 HA ILE 21 1.859 7.719 -7.591 157 HB ILE 21 HB ILE 21 2.932 4.968 -8.385 158 HG12 ILE 21 2HG1 ILE 21 1.661 7.180 -10.085 159 HG13 ILE 21 3HG1 ILE 21 3.389 6.880 -9.951 160 HG21 ILE 21 1HG2 ILE 21 0.691 4.579 -7.485 161 HG22 ILE 21 2HG2 ILE 21 0.678 4.374 -9.234 162 HG23 ILE 21 3HG2 ILE 21 0.025 5.849 -8.515 163 HD11 ILE 21 3HD1 ILE 21 2.546 5.988 -12.020 164 HD12 ILE 21 1HD1 ILE 21 1.339 5.028 -11.165 165 HD13 ILE 21 2HD1 ILE 21 3.056 4.660 -10.979 166 H VAL 22 H VAL 22 3.407 4.940 -5.987 167 HA VAL 22 HA VAL 22 1.128 4.172 -4.485 168 HB VAL 22 HB VAL 22 4.066 3.387 -4.281 169 HG11 VAL 22 1HG1 VAL 22 3.040 2.973 -2.088 170 HG12 VAL 22 2HG1 VAL 22 3.376 1.453 -2.911 171 HG13 VAL 22 3HG1 VAL 22 1.725 2.073 -2.847 172 HG21 VAL 22 3HG2 VAL 22 2.926 2.753 -6.382 173 HG22 VAL 22 1HG2 VAL 22 1.680 1.907 -5.460 174 HG23 VAL 22 2HG2 VAL 22 3.348 1.336 -5.429 175 H LYS 23 H LYS 23 3.927 6.249 -3.729 176 HA LYS 23 HA LYS 23 3.519 6.673 -0.966 177 HB2 LYS 23 2HB LYS 23 4.654 8.486 -3.134 178 HB3 LYS 23 3HB LYS 23 4.570 9.002 -1.453 179 HG2 LYS 23 2HG LYS 23 6.072 7.183 -0.789 180 HG3 LYS 23 3HG LYS 23 6.104 6.584 -2.450 181 HD2 LYS 23 2HD LYS 23 8.132 7.908 -1.923 182 HD3 LYS 23 3HD LYS 23 7.189 8.642 -3.221 183 HE2 LYS 23 2HE LYS 23 6.197 10.224 -1.560 184 HE3 LYS 23 3HE LYS 23 7.236 9.530 -0.313 185 HZ1 LYS 23 3HZ LYS 23 8.218 10.816 -2.802 186 HZ2 LYS 23 1HZ LYS 23 9.155 10.271 -1.506 187 HZ3 LYS 23 2HZ LYS 23 8.115 11.589 -1.297 188 H ARG 24 H ARG 24 2.400 8.578 -3.762 189 HA ARG 24 HA ARG 24 0.820 10.480 -2.454 190 HB2 ARG 24 2HB ARG 24 1.430 10.754 -4.793 191 HB3 ARG 24 3HB ARG 24 0.581 9.279 -5.248 192 HG2 ARG 24 2HG ARG 24 -1.576 10.389 -4.593 193 HG3 ARG 24 3HG ARG 24 -0.677 11.878 -4.299 194 HD2 ARG 24 2HD ARG 24 -0.054 12.024 -6.637 195 HD3 ARG 24 3HD ARG 24 -0.754 10.434 -6.968 196 HE ARG 24 HE ARG 24 -2.873 11.811 -6.003 197 HH11 ARG 24 1HH1 ARG 24 -0.575 12.569 -8.559 198 HH12 ARG 24 2HH1 ARG 24 -1.713 13.509 -9.472 199 HH21 ARG 24 1HH2 ARG 24 -4.372 13.013 -7.222 200 HH22 ARG 24 2HH2 ARG 24 -3.881 13.764 -8.710 201 H VAL 25 H VAL 25 -0.023 7.330 -3.776 202 HA VAL 25 HA VAL 25 -2.809 7.480 -3.499 203 HB VAL 25 HB VAL 25 -0.929 5.104 -3.831 204 HG11 VAL 25 1HG1 VAL 25 -2.923 3.711 -4.315 205 HG12 VAL 25 2HG1 VAL 25 -3.972 5.042 -3.818 206 HG13 VAL 25 3HG1 VAL 25 -2.904 4.270 -2.645 207 HG21 VAL 25 3HG2 VAL 25 -1.142 6.633 -5.772 208 HG22 VAL 25 1HG2 VAL 25 -2.895 6.410 -5.762 209 HG23 VAL 25 2HG2 VAL 25 -1.829 5.051 -6.124 210 H ILE 26 H ILE 26 -0.359 5.860 -1.402 211 HA ILE 26 HA ILE 26 -2.244 4.878 0.495 212 HB ILE 26 HB ILE 26 0.715 5.491 0.967 213 HG12 ILE 26 2HG1 ILE 26 -0.541 2.795 0.264 214 HG13 ILE 26 3HG1 ILE 26 0.191 3.855 -0.935 215 HG21 ILE 26 1HG2 ILE 26 -0.507 5.226 3.099 216 HG22 ILE 26 2HG2 ILE 26 0.550 3.842 2.833 217 HG23 ILE 26 3HG2 ILE 26 -1.186 3.689 2.549 218 HD11 ILE 26 3HD1 ILE 26 1.597 2.650 1.433 219 HD12 ILE 26 1HD1 ILE 26 2.329 3.681 0.199 220 HD13 ILE 26 2HD1 ILE 26 1.692 2.095 -0.237 221 H ASP 27 H ASP 27 -0.477 7.903 0.183 222 HA ASP 27 HA ASP 27 -0.904 8.946 2.777 223 HB2 ASP 27 2HB ASP 27 0.845 9.722 1.139 224 HB3 ASP 27 3HB ASP 27 -0.422 10.493 0.192 225 H GLU 28 H GLU 28 -2.758 9.344 -0.274 226 HA GLU 28 HA GLU 28 -4.768 11.051 0.934 227 HB2 GLU 28 2HB GLU 28 -5.947 10.916 -1.239 228 HB3 GLU 28 3HB GLU 28 -4.256 11.345 -1.429 229 HG2 GLU 28 2HG GLU 28 -3.768 8.960 -2.035 230 HG3 GLU 28 3HG GLU 28 -5.497 8.638 -1.973 231 H VAL 29 H VAL 29 -4.493 7.598 0.226 232 HA VAL 29 HA VAL 29 -7.201 6.922 0.903 233 HB VAL 29 HB VAL 29 -4.687 5.199 0.675 234 HG11 VAL 29 1HG1 VAL 29 -6.224 4.044 2.215 235 HG12 VAL 29 2HG1 VAL 29 -6.152 3.196 0.673 236 HG13 VAL 29 3HG1 VAL 29 -7.550 4.206 1.059 237 HG21 VAL 29 3HG2 VAL 29 -7.084 5.504 -1.183 238 HG22 VAL 29 1HG2 VAL 29 -5.691 4.449 -1.445 239 HG23 VAL 29 2HG2 VAL 29 -5.479 6.198 -1.434 240 H GLU 30 H GLU 30 -4.278 7.490 2.680 241 HA GLU 30 HA GLU 30 -4.859 6.185 5.102 242 HB2 GLU 30 2HB GLU 30 -2.603 7.028 4.547 243 HB3 GLU 30 3HB GLU 30 -3.179 8.688 4.631 244 HG2 GLU 30 2HG GLU 30 -3.615 8.439 7.028 245 HG3 GLU 30 3HG GLU 30 -3.116 6.744 6.963 246 H ARG 31 H ARG 31 -5.565 9.514 3.958 247 HA ARG 31 HA ARG 31 -6.794 10.360 6.417 248 HB2 ARG 31 2HB ARG 31 -7.436 12.418 5.250 249 HB3 ARG 31 3HB ARG 31 -5.755 12.022 4.937 250 HG2 ARG 31 2HG ARG 31 -6.339 11.217 2.688 251 HG3 ARG 31 3HG ARG 31 -8.043 11.546 3.001 252 HD2 ARG 31 2HD ARG 31 -5.831 13.636 2.914 253 HD3 ARG 31 3HD ARG 31 -6.994 13.314 1.624 254 HE ARG 31 HE ARG 31 -8.686 13.882 3.541 255 HH11 ARG 31 1HH1 ARG 31 -5.673 15.564 2.853 256 HH12 ARG 31 2HH1 ARG 31 -6.244 17.075 3.481 257 HH21 ARG 31 1HH2 ARG 31 -9.395 15.838 4.390 258 HH22 ARG 31 2HH2 ARG 31 -8.360 17.230 4.353 259 H GLU 32 H GLU 32 -7.954 8.599 3.654 260 HA GLU 32 HA GLU 32 -10.776 8.917 4.151 261 HB2 GLU 32 2HB GLU 32 -9.479 6.502 2.801 262 HB3 GLU 32 3HB GLU 32 -11.116 7.108 2.582 263 HG2 GLU 32 2HG GLU 32 -8.556 8.385 1.596 264 HG3 GLU 32 3HG GLU 32 -9.765 7.562 0.620 265 H VAL 33 H VAL 33 -8.325 6.479 4.939 266 HA VAL 33 HA VAL 33 -9.948 4.726 6.455 267 HB VAL 33 HB VAL 33 -6.917 5.104 6.364 268 HG11 VAL 33 1HG1 VAL 33 -7.500 4.071 8.533 269 HG12 VAL 33 2HG1 VAL 33 -6.660 2.931 7.487 270 HG13 VAL 33 3HG1 VAL 33 -8.408 2.806 7.702 271 HG21 VAL 33 3HG2 VAL 33 -7.901 4.320 4.245 272 HG22 VAL 33 1HG2 VAL 33 -8.693 2.977 5.078 273 HG23 VAL 33 2HG2 VAL 33 -6.931 3.048 4.981 274 H GLN 34 H GLN 34 -8.235 7.692 7.315 275 HA GLN 34 HA GLN 34 -7.989 7.357 10.087 276 HB2 GLN 34 2HB GLN 34 -8.292 9.887 8.426 277 HB3 GLN 34 3HB GLN 34 -8.029 9.934 10.167 278 HG2 GLN 34 2HG GLN 34 -6.150 8.771 8.097 279 HG3 GLN 34 3HG GLN 34 -5.938 10.277 8.982 280 HE21 GLN 34 1HE2 GLN 34 -4.298 7.771 8.833 281 HE22 GLN 34 2HE2 GLN 34 -4.062 7.294 10.475 282 H LYS 35 H LYS 35 -10.787 8.436 8.204 283 HA LYS 35 HA LYS 35 -12.272 9.068 10.651 284 HB2 LYS 35 2HB LYS 35 -14.056 9.887 9.056 285 HB3 LYS 35 3HB LYS 35 -12.526 10.736 8.987 286 HG2 LYS 35 2HG LYS 35 -13.132 10.561 6.737 287 HG3 LYS 35 3HG LYS 35 -11.982 9.244 6.942 288 HD2 LYS 35 2HD LYS 35 -13.872 8.498 5.590 289 HD3 LYS 35 3HD LYS 35 -13.875 7.643 7.133 290 HE2 LYS 35 2HE LYS 35 -15.626 9.173 7.971 291 HE3 LYS 35 3HE LYS 35 -15.633 10.019 6.419 292 HZ1 LYS 35 3HZ LYS 35 -16.371 7.183 6.899 293 HZ2 LYS 35 1HZ LYS 35 -16.282 7.901 5.371 294 HZ3 LYS 35 2HZ LYS 35 -17.422 8.445 6.497 295 H GLN 36 H GLN 36 -12.015 6.470 8.338 296 HA GLN 36 HA GLN 36 -14.501 5.154 9.000 297 HB2 GLN 36 2HB GLN 36 -11.980 4.041 7.700 298 HB3 GLN 36 3HB GLN 36 -13.549 3.240 7.729 299 HG2 GLN 36 2HG GLN 36 -14.494 5.030 6.332 300 HG3 GLN 36 3HG GLN 36 -12.940 5.863 6.337 301 HE21 GLN 36 1HE2 GLN 36 -14.489 4.866 4.083 302 HE22 GLN 36 2HE2 GLN 36 -13.467 3.765 3.234 303 H TYR 37 H TYR 37 -11.101 4.480 9.688 304 HA TYR 37 HA TYR 37 -11.746 3.044 12.196 305 HB2 TYR 37 2HB TYR 37 -9.169 2.750 10.579 306 HB3 TYR 37 3HB TYR 37 -9.752 1.718 11.876 307 HD1 TYR 37 HD2 TYR 37 -10.309 2.670 8.300 308 HD2 TYR 37 HD1 TYR 37 -11.115 -0.231 11.341 309 HE1 TYR 37 HE2 TYR 37 -11.186 1.129 6.601 310 HE2 TYR 37 HE1 TYR 37 -11.981 -1.767 9.631 311 HH TYR 37 HH TYR 37 -11.541 -1.286 6.300 312 HA PRO 38 HA PRO 38 -9.894 7.195 13.191 313 HB2 PRO 38 2HB PRO 38 -10.789 7.323 15.814 314 HB3 PRO 38 3HB PRO 38 -11.767 7.762 14.399 315 HG2 PRO 38 2HG PRO 38 -11.733 5.168 15.920 316 HG3 PRO 38 3HG PRO 38 -13.126 6.123 15.354 317 HD2 PRO 38 2HD PRO 38 -12.308 3.972 13.987 318 HD3 PRO 38 3HD PRO 38 -12.875 5.427 13.137 319 H ASN 39 H ASN 39 -9.412 4.252 15.088 320 HA ASN 39 HA ASN 39 -7.043 5.380 16.437 321 HB2 ASN 39 2HB ASN 39 -8.508 2.741 16.898 322 HB3 ASN 39 3HB ASN 39 -7.125 3.308 17.836 323 HD21 ASN 39 1HD2 ASN 39 -7.410 5.070 19.263 324 HD22 ASN 39 2HD2 ASN 39 -8.975 5.601 19.765 325 H ALA 40 H ALA 40 -7.605 3.880 13.545 326 HA ALA 40 HA ALA 40 -5.452 1.947 13.549 327 HB1 ALA 40 3HB ALA 40 -7.048 3.090 11.235 328 HB2 ALA 40 1HB ALA 40 -7.398 1.601 12.114 329 HB3 ALA 40 2HB ALA 40 -5.932 1.722 11.142 330 H THR 41 H THR 41 -3.386 2.208 12.794 331 HA THR 41 HA THR 41 -2.516 4.895 11.858 332 HB THR 41 HB THR 41 -0.939 2.977 13.647 333 HG1 THR 41 HG1 THR 41 -2.929 4.663 14.329 334 HG21 THR 41 3HG2 THR 41 0.501 4.470 12.308 335 HG22 THR 41 1HG2 THR 41 0.564 4.909 14.014 336 HG23 THR 41 2HG2 THR 41 -0.393 5.877 12.895 337 H ILE 42 H ILE 42 -1.861 4.700 9.767 338 HA ILE 42 HA ILE 42 -0.779 2.166 8.724 339 HB ILE 42 HB ILE 42 -1.455 4.745 7.211 340 HG12 ILE 42 2HG1 ILE 42 -3.125 2.179 7.417 341 HG13 ILE 42 3HG1 ILE 42 -3.502 3.697 8.225 342 HG21 ILE 42 1HG2 ILE 42 -0.813 1.945 6.172 343 HG22 ILE 42 2HG2 ILE 42 0.221 3.369 6.043 344 HG23 ILE 42 3HG2 ILE 42 -1.308 3.317 5.171 345 HD11 ILE 42 3HD1 ILE 42 -3.788 4.779 6.051 346 HD12 ILE 42 1HD1 ILE 42 -4.862 3.394 6.254 347 HD13 ILE 42 2HD1 ILE 42 -3.422 3.250 5.248 348 H THR 43 H THR 43 1.333 2.095 9.414 349 HA THR 43 HA THR 43 3.223 4.253 8.849 350 HB THR 43 HB THR 43 3.718 1.429 9.935 351 HG1 THR 43 HG1 THR 43 3.223 3.897 11.283 352 HG21 THR 43 3HG2 THR 43 5.760 2.486 9.013 353 HG22 THR 43 1HG2 THR 43 5.857 2.324 10.766 354 HG23 THR 43 2HG2 THR 43 5.503 3.895 10.043 355 H ARG 44 H ARG 44 4.216 4.350 6.859 356 HA ARG 44 HA ARG 44 4.310 1.974 5.134 357 HB2 ARG 44 2HB ARG 44 3.408 3.177 3.200 358 HB3 ARG 44 3HB ARG 44 2.234 3.099 4.498 359 HG2 ARG 44 2HG ARG 44 3.850 5.554 3.711 360 HG3 ARG 44 3HG ARG 44 2.165 5.247 3.315 361 HD2 ARG 44 2HD ARG 44 2.025 5.048 6.009 362 HD3 ARG 44 3HD ARG 44 3.380 6.164 5.884 363 HE ARG 44 HE ARG 44 0.646 6.742 5.542 364 HH11 ARG 44 1HH1 ARG 44 3.706 7.665 4.039 365 HH12 ARG 44 2HH1 ARG 44 3.099 9.204 3.518 366 HH21 ARG 44 1HH2 ARG 44 -0.079 8.766 4.912 367 HH22 ARG 44 2HH2 ARG 44 0.967 9.825 4.014 368 H THR 45 H THR 45 6.158 1.744 4.109 369 HA THR 45 HA THR 45 8.062 3.994 3.868 370 HB THR 45 HB THR 45 8.752 1.226 4.976 371 HG1 THR 45 HG1 THR 45 8.132 3.674 6.217 372 HG21 THR 45 3HG2 THR 45 10.648 2.229 3.754 373 HG22 THR 45 1HG2 THR 45 10.968 2.212 5.489 374 HG23 THR 45 2HG2 THR 45 10.488 3.713 4.696 375 H LEU 46 H LEU 46 8.589 4.141 1.751 376 HA LEU 46 HA LEU 46 8.719 1.701 0.069 377 HB2 LEU 46 2HB LEU 46 8.407 4.616 -0.777 378 HB3 LEU 46 3HB LEU 46 8.594 3.261 -1.877 379 HG LEU 46 HG LEU 46 6.415 2.324 -0.804 380 HD11 LEU 46 1HD1 LEU 46 6.255 3.816 1.137 381 HD12 LEU 46 2HD1 LEU 46 4.834 3.959 0.109 382 HD13 LEU 46 3HD1 LEU 46 6.075 5.215 0.073 383 HD21 LEU 46 3HD2 LEU 46 6.508 3.087 -3.091 384 HD22 LEU 46 1HD2 LEU 46 6.362 4.773 -2.589 385 HD23 LEU 46 2HD2 LEU 46 5.014 3.659 -2.356 386 H THR 47 H THR 47 10.660 1.031 -0.541 387 HA THR 47 HA THR 47 12.836 2.919 -1.102 388 HB THR 47 HB THR 47 13.127 0.464 0.708 389 HG1 THR 47 HG1 THR 47 12.791 3.118 1.195 390 HG21 THR 47 3HG2 THR 47 15.540 1.014 0.835 391 HG22 THR 47 1HG2 THR 47 15.313 2.301 -0.358 392 HG23 THR 47 2HG2 THR 47 15.077 0.615 -0.816 393 H ARG 48 H ARG 48 13.791 2.390 -3.010 394 HA ARG 48 HA ARG 48 12.662 0.187 -4.540 395 HB2 ARG 48 2HB ARG 48 14.367 2.605 -5.198 396 HB3 ARG 48 3HB ARG 48 14.198 1.299 -6.372 397 HG2 ARG 48 2HG ARG 48 11.825 1.603 -6.504 398 HG3 ARG 48 3HG ARG 48 11.828 2.718 -5.135 399 HD2 ARG 48 2HD ARG 48 13.397 3.366 -7.637 400 HD3 ARG 48 3HD ARG 48 11.662 3.666 -7.550 401 HE ARG 48 HE ARG 48 12.412 4.910 -5.360 402 HH11 ARG 48 1HH1 ARG 48 14.032 4.995 -8.479 403 HH12 ARG 48 2HH1 ARG 48 14.631 6.606 -8.247 404 HH21 ARG 48 1HH2 ARG 48 13.114 7.014 -5.101 405 HH22 ARG 48 2HH2 ARG 48 14.110 7.762 -6.315 406 H ASP 49 H ASP 49 13.492 -1.673 -3.936 407 HA ASP 49 HA ASP 49 16.250 -2.258 -3.422 408 HB2 ASP 49 2HB ASP 49 14.371 -3.515 -2.368 409 HB3 ASP 49 3HB ASP 49 13.868 -4.102 -3.949 410 H ASP 50 H ASP 50 17.291 -1.510 -5.228 411 HA ASP 50 HA ASP 50 18.373 -1.519 -7.173 412 HB2 ASP 50 2HB ASP 50 17.205 -4.298 -7.632 413 HB3 ASP 50 3HB ASP 50 18.546 -3.589 -8.526 414 H GLY 51 H GLY 51 15.517 -3.350 -8.293 415 HA2 GLY 51 2HA GLY 51 14.648 -1.002 -9.891 416 HA3 GLY 51 3HA GLY 51 14.767 -2.605 -10.610 417 H THR 52 H THR 52 13.803 -3.391 -7.667 418 HA THR 52 HA THR 52 10.909 -3.213 -8.264 419 HB THR 52 HB THR 52 12.460 -5.190 -6.517 420 HG1 THR 52 HG1 THR 52 12.735 -5.529 -8.748 421 HG21 THR 52 3HG2 THR 52 10.159 -4.858 -5.651 422 HG22 THR 52 1HG2 THR 52 10.365 -6.462 -6.356 423 HG23 THR 52 2HG2 THR 52 9.506 -5.209 -7.252 424 H VAL 53 H VAL 53 9.653 -2.006 -6.913 425 HA VAL 53 HA VAL 53 10.841 -0.470 -4.753 426 HB VAL 53 HB VAL 53 7.874 -0.556 -5.558 427 HG11 VAL 53 1HG1 VAL 53 9.475 1.596 -4.100 428 HG12 VAL 53 2HG1 VAL 53 8.298 0.500 -3.372 429 HG13 VAL 53 3HG1 VAL 53 7.767 1.705 -4.544 430 HG21 VAL 53 3HG2 VAL 53 9.201 -0.023 -7.546 431 HG22 VAL 53 1HG2 VAL 53 10.027 1.271 -6.678 432 HG23 VAL 53 2HG2 VAL 53 8.296 1.391 -7.005 433 H GLU 54 H GLU 54 10.972 -1.368 -2.710 434 HA GLU 54 HA GLU 54 9.086 -3.466 -1.907 435 HB2 GLU 54 2HB GLU 54 11.537 -3.770 -1.411 436 HB3 GLU 54 3HB GLU 54 11.480 -2.355 -0.357 437 HG2 GLU 54 2HG GLU 54 9.716 -3.529 1.011 438 HG3 GLU 54 3HG GLU 54 9.955 -4.958 0.009 439 H LEU 55 H LEU 55 7.225 -2.674 -1.263 440 HA LEU 55 HA LEU 55 6.988 -0.236 0.342 441 HB2 LEU 55 2HB LEU 55 5.422 -0.435 -1.499 442 HB3 LEU 55 3HB LEU 55 4.965 -2.057 -1.008 443 HG LEU 55 HG LEU 55 3.914 -1.148 1.041 444 HD11 LEU 55 1HD1 LEU 55 3.534 1.249 1.329 445 HD12 LEU 55 2HD1 LEU 55 4.549 1.595 -0.072 446 HD13 LEU 55 3HD1 LEU 55 5.252 0.861 1.371 447 HD21 LEU 55 3HD2 LEU 55 2.872 0.058 -1.540 448 HD22 LEU 55 1HD2 LEU 55 1.946 -0.122 -0.046 449 HD23 LEU 55 2HD2 LEU 55 2.516 -1.550 -0.906 450 H ARG 56 H ARG 56 6.743 -0.315 2.459 451 HA ARG 56 HA ARG 56 6.202 -2.865 3.868 452 HB2 ARG 56 2HB ARG 56 7.453 -0.335 5.055 453 HB3 ARG 56 3HB ARG 56 7.385 -1.938 5.778 454 HG2 ARG 56 2HG ARG 56 9.073 -1.078 3.409 455 HG3 ARG 56 3HG ARG 56 9.641 -1.489 5.028 456 HD2 ARG 56 2HD ARG 56 8.410 -3.376 2.989 457 HD3 ARG 56 3HD ARG 56 10.093 -3.336 3.526 458 HE ARG 56 HE ARG 56 8.190 -3.785 5.653 459 HH11 ARG 56 1HH1 ARG 56 10.174 -5.375 3.238 460 HH12 ARG 56 2HH1 ARG 56 10.171 -6.897 4.064 461 HH21 ARG 56 1HH2 ARG 56 8.148 -5.775 6.710 462 HH22 ARG 56 2HH2 ARG 56 9.017 -7.128 6.052 463 H ILE 57 H ILE 57 3.980 -2.857 4.058 464 HA ILE 57 HA ILE 57 2.647 -0.463 5.175 465 HB ILE 57 HB ILE 57 1.478 -2.995 3.933 466 HG12 ILE 57 2HG1 ILE 57 2.376 -1.365 2.297 467 HG13 ILE 57 3HG1 ILE 57 0.626 -1.488 2.180 468 HG21 ILE 57 1HG2 ILE 57 -0.760 -1.956 4.212 469 HG22 ILE 57 2HG2 ILE 57 -0.036 -0.652 5.156 470 HG23 ILE 57 3HG2 ILE 57 0.002 -2.308 5.762 471 HD11 ILE 57 3HD1 ILE 57 1.369 0.813 1.968 472 HD12 ILE 57 1HD1 ILE 57 2.151 0.734 3.545 473 HD13 ILE 57 2HD1 ILE 57 0.394 0.613 3.420 474 H LYS 58 H LYS 58 2.526 -0.392 7.259 475 HA LYS 58 HA LYS 58 2.285 -2.823 8.928 476 HB2 LYS 58 2HB LYS 58 4.561 -1.905 9.087 477 HB3 LYS 58 3HB LYS 58 3.938 -0.283 9.358 478 HG2 LYS 58 2HG LYS 58 3.011 -1.011 11.532 479 HG3 LYS 58 3HG LYS 58 3.658 -2.632 11.262 480 HD2 LYS 58 2HD LYS 58 5.957 -1.738 11.276 481 HD3 LYS 58 3HD LYS 58 5.333 -0.096 11.465 482 HE2 LYS 58 2HE LYS 58 4.365 -0.726 13.662 483 HE3 LYS 58 3HE LYS 58 5.007 -2.360 13.470 484 HZ1 LYS 58 3HZ LYS 58 7.234 -1.457 13.469 485 HZ2 LYS 58 1HZ LYS 58 6.412 -0.980 14.866 486 HZ3 LYS 58 2HZ LYS 58 6.636 0.118 13.602 487 H VAL 59 H VAL 59 0.127 -2.716 9.412 488 HA VAL 59 HA VAL 59 -1.085 -0.107 10.132 489 HB VAL 59 HB VAL 59 -2.477 -2.645 9.124 490 HG11 VAL 59 1HG1 VAL 59 -3.691 0.080 9.777 491 HG12 VAL 59 2HG1 VAL 59 -3.912 -1.406 10.705 492 HG13 VAL 59 3HG1 VAL 59 -4.545 -1.295 9.066 493 HG21 VAL 59 3HG2 VAL 59 -1.225 -1.488 7.342 494 HG22 VAL 59 1HG2 VAL 59 -2.038 0.032 7.721 495 HG23 VAL 59 2HG2 VAL 59 -2.960 -1.332 7.080 496 H LYS 60 H LYS 60 -1.141 0.139 12.261 497 HA LYS 60 HA LYS 60 -1.699 -2.073 14.099 498 HB2 LYS 60 2HB LYS 60 -0.029 -0.300 14.697 499 HB3 LYS 60 3HB LYS 60 -1.303 0.915 14.613 500 HG2 LYS 60 2HG LYS 60 -2.497 -0.330 16.473 501 HG3 LYS 60 3HG LYS 60 -1.078 -1.370 16.612 502 HD2 LYS 60 2HD LYS 60 -0.954 0.372 18.308 503 HD3 LYS 60 3HD LYS 60 0.314 0.660 17.112 504 HE2 LYS 60 2HE LYS 60 -1.228 2.326 15.999 505 HE3 LYS 60 3HE LYS 60 -2.344 2.114 17.349 506 HZ1 LYS 60 3HZ LYS 60 -0.433 2.781 18.807 507 HZ2 LYS 60 1HZ LYS 60 -1.068 3.998 17.816 508 HZ3 LYS 60 2HZ LYS 60 0.387 3.246 17.401 509 H ALA 61 H ALA 61 -3.797 -2.658 14.218 510 HA ALA 61 HA ALA 61 -5.911 -0.648 14.517 511 HB1 ALA 61 3HB ALA 61 -5.870 -1.158 12.084 512 HB2 ALA 61 1HB ALA 61 -7.363 -1.726 12.838 513 HB3 ALA 61 2HB ALA 61 -6.082 -2.871 12.439 514 H ASP 62 H ASP 62 -8.064 -2.060 14.820 515 HA ASP 62 HA ASP 62 -7.809 -3.142 17.408 516 HB2 ASP 62 2HB ASP 62 -9.825 -1.962 16.592 517 HB3 ASP 62 3HB ASP 62 -10.142 -3.258 15.448 518 H THR 63 H THR 63 -9.139 -4.867 14.536 519 HA THR 63 HA THR 63 -8.051 -7.430 15.589 520 HB THR 63 HB THR 63 -9.854 -8.468 14.055 521 HG1 THR 63 HG1 THR 63 -11.512 -6.337 14.209 522 HG21 THR 63 3HG2 THR 63 -11.682 -8.189 15.681 523 HG22 THR 63 1HG2 THR 63 -10.821 -6.845 16.428 524 HG23 THR 63 2HG2 THR 63 -10.143 -8.473 16.495 525 H GLU 64 H GLU 64 -7.509 -9.065 13.922 526 HA GLU 64 HA GLU 64 -5.575 -8.161 12.074 527 HB2 GLU 64 2HB GLU 64 -5.384 -10.531 11.399 528 HB3 GLU 64 3HB GLU 64 -5.503 -10.404 13.154 529 HG2 GLU 64 2HG GLU 64 -7.830 -11.054 13.110 530 HG3 GLU 64 3HG GLU 64 -7.859 -11.024 11.353 531 H GLU 65 H GLU 65 -8.980 -9.004 11.719 532 HA GLU 65 HA GLU 65 -9.027 -9.387 8.909 533 HB2 GLU 65 2HB GLU 65 -10.730 -10.213 10.635 534 HB3 GLU 65 3HB GLU 65 -11.378 -8.579 10.674 535 HG2 GLU 65 2HG GLU 65 -12.740 -9.956 9.228 536 HG3 GLU 65 3HG GLU 65 -11.898 -8.747 8.257 537 H LYS 66 H LYS 66 -9.793 -6.652 11.024 538 HA LYS 66 HA LYS 66 -10.612 -4.893 8.887 539 HB2 LYS 66 2HB LYS 66 -10.016 -4.258 11.807 540 HB3 LYS 66 3HB LYS 66 -10.876 -3.219 10.668 541 HG2 LYS 66 2HG LYS 66 -12.640 -5.028 10.477 542 HG3 LYS 66 3HG LYS 66 -11.796 -5.899 11.756 543 HD2 LYS 66 2HD LYS 66 -13.643 -4.704 12.751 544 HD3 LYS 66 3HD LYS 66 -12.147 -3.929 13.273 545 HE2 LYS 66 2HE LYS 66 -12.471 -2.109 11.711 546 HE3 LYS 66 3HE LYS 66 -13.849 -2.921 10.964 547 HZ1 LYS 66 3HZ LYS 66 -13.761 -1.996 13.780 548 HZ2 LYS 66 1HZ LYS 66 -15.088 -2.671 12.981 549 HZ3 LYS 66 2HZ LYS 66 -14.495 -1.159 12.509 550 H ALA 67 H ALA 67 -7.696 -5.434 10.793 551 HA ALA 67 HA ALA 67 -6.194 -3.187 10.013 552 HB1 ALA 67 3HB ALA 67 -4.242 -4.463 10.753 553 HB2 ALA 67 1HB ALA 67 -5.191 -5.952 10.755 554 HB3 ALA 67 2HB ALA 67 -5.578 -4.654 11.889 555 H LYS 68 H LYS 68 -6.410 -6.455 8.604 556 HA LYS 68 HA LYS 68 -4.693 -5.818 6.358 557 HB2 LYS 68 2HB LYS 68 -6.376 -8.293 6.914 558 HB3 LYS 68 3HB LYS 68 -5.271 -8.121 5.553 559 HG2 LYS 68 2HG LYS 68 -3.410 -7.749 7.276 560 HG3 LYS 68 3HG LYS 68 -4.572 -8.257 8.501 561 HD2 LYS 68 2HD LYS 68 -3.633 -9.938 6.139 562 HD3 LYS 68 3HD LYS 68 -3.094 -10.119 7.808 563 HE2 LYS 68 2HE LYS 68 -5.945 -10.543 6.837 564 HE3 LYS 68 3HE LYS 68 -4.779 -11.822 7.170 565 HZ1 LYS 68 3HZ LYS 68 -5.860 -9.896 9.154 566 HZ2 LYS 68 1HZ LYS 68 -4.702 -11.089 9.475 567 HZ3 LYS 68 2HZ LYS 68 -6.268 -11.534 9.022 568 H SER 69 H SER 69 -8.073 -5.562 7.030 569 HA SER 69 HA SER 69 -9.076 -5.433 4.364 570 HB2 SER 69 2HB SER 69 -10.546 -5.688 6.346 571 HB3 SER 69 3HB SER 69 -10.123 -4.062 6.878 572 HG SER 69 HG SER 69 -12.150 -4.491 5.554 573 H ILE 70 H ILE 70 -7.749 -3.024 6.604 574 HA ILE 70 HA ILE 70 -7.935 -0.678 5.040 575 HB ILE 70 HB ILE 70 -5.901 -1.508 7.166 576 HG12 ILE 70 2HG1 ILE 70 -8.329 0.334 7.432 577 HG13 ILE 70 3HG1 ILE 70 -8.336 -1.369 7.868 578 HG21 ILE 70 1HG2 ILE 70 -6.345 1.276 6.017 579 HG22 ILE 70 2HG2 ILE 70 -4.907 0.276 5.812 580 HG23 ILE 70 3HG2 ILE 70 -5.325 0.894 7.408 581 HD11 ILE 70 3HD1 ILE 70 -8.097 -0.010 9.825 582 HD12 ILE 70 1HD1 ILE 70 -6.685 0.796 9.144 583 HD13 ILE 70 2HD1 ILE 70 -6.610 -0.918 9.558 584 H ILE 71 H ILE 71 -5.404 -3.143 5.336 585 HA ILE 71 HA ILE 71 -3.523 -2.144 3.502 586 HB ILE 71 HB ILE 71 -4.130 -5.068 4.164 587 HG12 ILE 71 2HG1 ILE 71 -2.076 -3.181 5.427 588 HG13 ILE 71 3HG1 ILE 71 -3.588 -3.667 6.177 589 HG21 ILE 71 1HG2 ILE 71 -2.794 -4.870 2.098 590 HG22 ILE 71 2HG2 ILE 71 -1.826 -5.553 3.401 591 HG23 ILE 71 3HG2 ILE 71 -1.611 -3.864 2.939 592 HD11 ILE 71 3HD1 ILE 71 -2.819 -5.963 6.282 593 HD12 ILE 71 1HD1 ILE 71 -1.686 -4.872 7.076 594 HD13 ILE 71 2HD1 ILE 71 -1.316 -5.511 5.477 595 H LYS 72 H LYS 72 -6.452 -4.111 3.046 596 HA LYS 72 HA LYS 72 -6.059 -4.765 0.314 597 HB2 LYS 72 2HB LYS 72 -7.585 -6.031 1.784 598 HB3 LYS 72 3HB LYS 72 -8.641 -4.632 1.922 599 HG2 LYS 72 2HG LYS 72 -9.586 -6.246 0.372 600 HG3 LYS 72 3HG LYS 72 -9.145 -4.776 -0.499 601 HD2 LYS 72 2HD LYS 72 -7.098 -5.866 -1.334 602 HD3 LYS 72 3HD LYS 72 -7.483 -7.328 -0.420 603 HE2 LYS 72 2HE LYS 72 -9.099 -6.161 -2.716 604 HE3 LYS 72 3HE LYS 72 -8.090 -7.606 -2.776 605 HZ1 LYS 72 3HZ LYS 72 -10.394 -8.201 -2.539 606 HZ2 LYS 72 1HZ LYS 72 -10.546 -7.253 -1.148 607 HZ3 LYS 72 2HZ LYS 72 -9.560 -8.625 -1.131 608 H LEU 73 H LEU 73 -7.712 -2.039 1.919 609 HA LEU 73 HA LEU 73 -8.725 -0.742 -0.378 610 HB2 LEU 73 2HB LEU 73 -7.933 0.224 2.369 611 HB3 LEU 73 3HB LEU 73 -8.192 1.431 1.125 612 HG LEU 73 HG LEU 73 -10.525 0.668 0.826 613 HD11 LEU 73 1HD1 LEU 73 -10.008 -1.269 3.102 614 HD12 LEU 73 2HD1 LEU 73 -10.292 -1.699 1.414 615 HD13 LEU 73 3HD1 LEU 73 -11.570 -0.933 2.351 616 HD21 LEU 73 3HD2 LEU 73 -11.430 1.499 2.970 617 HD22 LEU 73 1HD2 LEU 73 -10.075 2.483 2.420 618 HD23 LEU 73 2HD2 LEU 73 -9.844 1.313 3.721 619 H ILE 74 H ILE 74 -5.580 -0.498 1.241 620 HA ILE 74 HA ILE 74 -4.301 1.332 -0.479 621 HB ILE 74 HB ILE 74 -3.149 -0.906 1.250 622 HG12 ILE 74 2HG1 ILE 74 -3.387 2.100 1.790 623 HG13 ILE 74 3HG1 ILE 74 -4.426 0.864 2.489 624 HG21 ILE 74 1HG2 ILE 74 -0.964 0.266 1.110 625 HG22 ILE 74 2HG2 ILE 74 -1.646 1.376 -0.079 626 HG23 ILE 74 3HG2 ILE 74 -1.493 -0.339 -0.459 627 HD11 ILE 74 3HD1 ILE 74 -1.480 1.240 2.988 628 HD12 ILE 74 1HD1 ILE 74 -2.450 -0.088 3.635 629 HD13 ILE 74 2HD1 ILE 74 -2.806 1.576 4.100 630 H GLU 75 H GLU 75 -4.508 -2.223 -0.592 631 HA GLU 75 HA GLU 75 -2.683 -2.791 -2.647 632 HB2 GLU 75 2HB GLU 75 -5.163 -4.284 -1.707 633 HB3 GLU 75 3HB GLU 75 -4.073 -4.936 -2.924 634 HG2 GLU 75 2HG GLU 75 -2.263 -5.075 -1.337 635 HG3 GLU 75 3HG GLU 75 -3.198 -4.202 -0.121 636 H GLU 76 H GLU 76 -6.211 -2.405 -2.772 637 HA GLU 76 HA GLU 76 -6.605 -2.792 -5.520 638 HB2 GLU 76 2HB GLU 76 -8.232 -1.210 -3.491 639 HB3 GLU 76 3HB GLU 76 -8.784 -1.527 -5.133 640 HG2 GLU 76 2HG GLU 76 -8.168 -3.631 -3.036 641 HG3 GLU 76 3HG GLU 76 -9.775 -3.086 -3.517 642 H ARG 77 H ARG 77 -6.037 0.156 -3.679 643 HA ARG 77 HA ARG 77 -6.514 1.994 -5.805 644 HB2 ARG 77 2HB ARG 77 -5.234 2.205 -3.068 645 HB3 ARG 77 3HB ARG 77 -5.376 3.595 -4.132 646 HG2 ARG 77 2HG ARG 77 -7.777 1.979 -3.244 647 HG3 ARG 77 3HG ARG 77 -7.145 3.341 -2.321 648 HD2 ARG 77 2HD ARG 77 -7.451 4.760 -4.410 649 HD3 ARG 77 3HD ARG 77 -8.305 3.385 -5.114 650 HE ARG 77 HE ARG 77 -10.002 3.607 -3.454 651 HH11 ARG 77 1HH1 ARG 77 -7.770 6.335 -3.513 652 HH12 ARG 77 2HH1 ARG 77 -8.878 7.390 -2.688 653 HH21 ARG 77 1HH2 ARG 77 -11.376 4.980 -2.312 654 HH22 ARG 77 2HH2 ARG 77 -10.914 6.624 -2.010 655 H ILE 78 H ILE 78 -3.468 0.776 -4.276 656 HA ILE 78 HA ILE 78 -1.733 2.378 -5.860 657 HB ILE 78 HB ILE 78 0.160 1.030 -5.075 658 HG12 ILE 78 2HG1 ILE 78 -1.871 -0.862 -3.791 659 HG13 ILE 78 3HG1 ILE 78 -0.865 -1.248 -5.175 660 HG21 ILE 78 1HG2 ILE 78 -0.066 1.400 -2.642 661 HG22 ILE 78 2HG2 ILE 78 -1.811 1.586 -2.831 662 HG23 ILE 78 3HG2 ILE 78 -0.713 2.755 -3.569 663 HD11 ILE 78 3HD1 ILE 78 -0.011 -2.269 -3.166 664 HD12 ILE 78 1HD1 ILE 78 0.096 -0.700 -2.372 665 HD13 ILE 78 2HD1 ILE 78 1.133 -1.063 -3.754 666 H GLU 79 H GLU 79 -2.836 -0.989 -6.143 667 HA GLU 79 HA GLU 79 -1.338 -1.816 -8.369 668 HB2 GLU 79 2HB GLU 79 -2.583 -3.378 -6.913 669 HB3 GLU 79 3HB GLU 79 -4.114 -2.696 -7.451 670 HG2 GLU 79 2HG GLU 79 -3.414 -3.449 -9.817 671 HG3 GLU 79 3HG GLU 79 -2.157 -4.389 -9.019 672 H GLU 80 H GLU 80 -4.509 -0.291 -8.090 673 HA GLU 80 HA GLU 80 -5.329 -0.357 -10.757 674 HB2 GLU 80 2HB GLU 80 -6.733 0.256 -8.722 675 HB3 GLU 80 3HB GLU 80 -5.970 1.839 -8.738 676 HG2 GLU 80 2HG GLU 80 -8.176 1.925 -9.768 677 HG3 GLU 80 3HG GLU 80 -6.922 2.298 -10.948 678 H GLU 81 H GLU 81 -3.783 2.316 -8.962 679 HA GLU 81 HA GLU 81 -3.554 4.108 -11.128 680 HB2 GLU 81 2HB GLU 81 -2.125 3.943 -8.459 681 HB3 GLU 81 3HB GLU 81 -1.930 5.299 -9.564 682 HG2 GLU 81 2HG GLU 81 -4.520 4.422 -8.251 683 HG3 GLU 81 3HG GLU 81 -3.541 5.816 -7.797 684 H LEU 82 H LEU 82 -1.389 1.629 -9.946 685 HA LEU 82 HA LEU 82 0.941 2.322 -11.409 686 HB2 LEU 82 2HB LEU 82 -0.053 -0.238 -10.118 687 HB3 LEU 82 3HB LEU 82 1.467 -0.192 -10.995 688 HG LEU 82 HG LEU 82 0.845 1.582 -8.604 689 HD11 LEU 82 1HD1 LEU 82 0.930 -0.748 -7.881 690 HD12 LEU 82 2HD1 LEU 82 2.356 0.114 -7.313 691 HD13 LEU 82 3HD1 LEU 82 2.479 -0.976 -8.696 692 HD21 LEU 82 3HD2 LEU 82 2.468 2.580 -10.123 693 HD22 LEU 82 1HD2 LEU 82 3.430 1.100 -10.123 694 HD23 LEU 82 2HD2 LEU 82 3.273 2.057 -8.646 695 H ARG 83 H ARG 83 -1.696 0.021 -12.057 696 HA ARG 83 HA ARG 83 -0.760 -0.835 -14.609 697 HB2 ARG 83 2HB ARG 83 -3.480 -1.036 -13.282 698 HB3 ARG 83 3HB ARG 83 -3.136 -1.729 -14.867 699 HG2 ARG 83 2HG ARG 83 -1.469 -3.229 -13.914 700 HG3 ARG 83 3HG ARG 83 -1.647 -2.466 -12.326 701 HD2 ARG 83 2HD ARG 83 -3.835 -3.971 -13.807 702 HD3 ARG 83 3HD ARG 83 -2.872 -4.608 -12.472 703 HE ARG 83 HE ARG 83 -3.833 -2.767 -11.105 704 HH11 ARG 83 1HH1 ARG 83 -5.654 -3.887 -13.882 705 HH12 ARG 83 2HH1 ARG 83 -7.175 -3.391 -13.213 706 HH21 ARG 83 1HH2 ARG 83 -5.803 -2.183 -10.234 707 HH22 ARG 83 2HH2 ARG 83 -7.262 -2.422 -11.137 708 H LYS 84 H LYS 84 -2.678 1.879 -13.572 709 HA LYS 84 HA LYS 84 -3.821 2.606 -16.072 710 HB2 LYS 84 2HB LYS 84 -3.289 4.152 -13.512 711 HB3 LYS 84 3HB LYS 84 -4.042 4.919 -14.909 712 HG2 LYS 84 2HG LYS 84 -5.936 3.433 -14.806 713 HG3 LYS 84 3HG LYS 84 -5.147 2.413 -13.608 714 HD2 LYS 84 2HD LYS 84 -6.868 3.736 -12.531 715 HD3 LYS 84 3HD LYS 84 -5.293 4.263 -11.950 716 HE2 LYS 84 2HE LYS 84 -6.620 5.737 -14.224 717 HE3 LYS 84 3HE LYS 84 -7.134 6.033 -12.567 718 HZ1 LYS 84 3HZ LYS 84 -5.469 7.605 -13.304 719 HZ2 LYS 84 1HZ LYS 84 -4.363 6.358 -13.577 720 HZ3 LYS 84 2HZ LYS 84 -4.900 6.681 -12.006 721 H ARG 85 H ARG 85 -0.590 2.954 -14.843 722 HA ARG 85 HA ARG 85 0.162 4.551 -17.241 723 HB2 ARG 85 2HB ARG 85 0.973 5.597 -15.191 724 HB3 ARG 85 3HB ARG 85 1.652 4.078 -14.613 725 HG2 ARG 85 2HG ARG 85 3.301 4.111 -16.455 726 HG3 ARG 85 3HG ARG 85 2.628 5.629 -17.044 727 HD2 ARG 85 2HD ARG 85 3.373 6.776 -15.016 728 HD3 ARG 85 3HD ARG 85 3.915 5.245 -14.321 729 HE ARG 85 HE ARG 85 5.704 5.160 -15.863 730 HH11 ARG 85 1HH1 ARG 85 3.917 8.169 -16.218 731 HH12 ARG 85 2HH1 ARG 85 5.207 8.956 -17.068 732 HH21 ARG 85 1HH2 ARG 85 7.353 6.207 -16.978 733 HH22 ARG 85 2HH2 ARG 85 7.150 7.851 -17.502 734 H ASP 86 H ASP 86 0.478 1.400 -15.702 735 HA ASP 86 HA ASP 86 2.497 0.471 -17.595 736 HB2 ASP 86 2HB ASP 86 3.818 1.641 -15.831 737 HB3 ASP 86 3HB ASP 86 3.066 0.641 -14.593 738 HA PRO 87 HA PRO 87 0.000 -3.255 -16.522 739 HB2 PRO 87 2HB PRO 87 1.293 -4.487 -18.898 740 HB3 PRO 87 3HB PRO 87 -0.422 -4.137 -18.609 741 HG2 PRO 87 2HG PRO 87 1.038 -2.777 -20.428 742 HG3 PRO 87 3HG PRO 87 -0.313 -2.038 -19.540 743 HD2 PRO 87 2HD PRO 87 2.650 -1.786 -19.020 744 HD3 PRO 87 3HD PRO 87 1.387 -0.532 -18.994 745 H ASN 88 H ASN 88 3.446 -2.882 -17.080 746 HA ASN 88 HA ASN 88 4.287 -5.523 -16.302 747 HB2 ASN 88 2HB ASN 88 5.917 -2.940 -16.435 748 HB3 ASN 88 3HB ASN 88 6.589 -4.563 -16.278 749 HD21 ASN 88 1HD2 ASN 88 5.042 -2.295 -18.432 750 HD22 ASN 88 2HD2 ASN 88 5.366 -3.157 -19.894 751 H ALA 89 H ALA 89 3.354 -2.673 -14.599 752 HA ALA 89 HA ALA 89 4.723 -2.983 -12.160 753 HB1 ALA 89 3HB ALA 89 3.032 -1.471 -11.231 754 HB2 ALA 89 1HB ALA 89 2.013 -1.709 -12.654 755 HB3 ALA 89 2HB ALA 89 3.572 -0.900 -12.811 756 H THR 90 H THR 90 4.694 -5.208 -11.794 757 HA THR 90 HA THR 90 2.212 -6.545 -10.978 758 HB THR 90 HB THR 90 5.048 -7.615 -11.390 759 HG1 THR 90 HG1 THR 90 3.779 -6.840 -13.274 760 HG21 THR 90 3HG2 THR 90 3.754 -9.046 -9.843 761 HG22 THR 90 1HG2 THR 90 4.017 -9.851 -11.391 762 HG23 THR 90 2HG2 THR 90 2.445 -9.137 -11.024 763 H ILE 91 H ILE 91 1.724 -6.467 -8.884 764 HA ILE 91 HA ILE 91 3.772 -5.721 -6.916 765 HB ILE 91 HB ILE 91 2.043 -5.063 -5.401 766 HG12 ILE 91 2HG1 ILE 91 0.386 -6.937 -5.868 767 HG13 ILE 91 3HG1 ILE 91 -0.345 -5.356 -5.652 768 HG21 ILE 91 1HG2 ILE 91 2.545 -3.415 -7.131 769 HG22 ILE 91 2HG2 ILE 91 0.846 -3.298 -6.672 770 HG23 ILE 91 3HG2 ILE 91 1.298 -4.090 -8.184 771 HD11 ILE 91 3HD1 ILE 91 -1.441 -6.573 -7.431 772 HD12 ILE 91 1HD1 ILE 91 0.090 -6.772 -8.282 773 HD13 ILE 91 2HD1 ILE 91 -0.611 -5.167 -8.093 774 H THR 92 H THR 92 4.500 -7.121 -5.416 775 HA THR 92 HA THR 92 3.299 -9.834 -5.258 776 HB THR 92 HB THR 92 6.071 -8.897 -4.341 777 HG1 THR 92 HG1 THR 92 6.338 -8.823 -6.459 778 HG21 THR 92 3HG2 THR 92 6.643 -11.301 -4.333 779 HG22 THR 92 1HG2 THR 92 4.985 -11.712 -4.793 780 HG23 THR 92 2HG2 THR 92 5.313 -10.979 -3.223 781 H ARG 93 H ARG 93 1.778 -9.742 -3.642 782 HA ARG 93 HA ARG 93 2.255 -7.999 -1.301 783 HB2 ARG 93 2HB ARG 93 0.190 -7.700 -2.747 784 HB3 ARG 93 3HB ARG 93 -0.342 -9.300 -2.262 785 HG2 ARG 93 2HG ARG 93 0.153 -7.105 -0.229 786 HG3 ARG 93 3HG ARG 93 -1.376 -7.245 -1.090 787 HD2 ARG 93 2HD ARG 93 -1.537 -9.622 -0.187 788 HD3 ARG 93 3HD ARG 93 -0.155 -9.234 0.843 789 HE ARG 93 HE ARG 93 -2.190 -7.285 1.138 790 HH11 ARG 93 1HH1 ARG 93 -1.453 -10.591 2.085 791 HH12 ARG 93 2HH1 ARG 93 -2.461 -10.529 3.496 792 HH21 ARG 93 1HH2 ARG 93 -3.575 -7.243 2.889 793 HH22 ARG 93 2HH2 ARG 93 -3.682 -8.612 3.955 794 H THR 94 H THR 94 3.349 -9.126 0.197 795 HA THR 94 HA THR 94 2.570 -11.901 0.877 796 HB THR 94 HB THR 94 5.392 -10.752 0.637 797 HG1 THR 94 HG1 THR 94 3.847 -11.767 -1.236 798 HG21 THR 94 3HG2 THR 94 4.522 -13.566 1.410 799 HG22 THR 94 1HG2 THR 94 5.259 -12.387 2.487 800 HG23 THR 94 2HG2 THR 94 6.185 -13.041 1.132 801 H VAL 95 H VAL 95 1.913 -11.967 2.962 802 HA VAL 95 HA VAL 95 2.331 -9.739 4.741 803 HB VAL 95 HB VAL 95 0.157 -11.007 4.655 804 HG11 VAL 95 1HG1 VAL 95 -0.095 -13.149 5.843 805 HG12 VAL 95 2HG1 VAL 95 1.650 -13.227 6.089 806 HG13 VAL 95 3HG1 VAL 95 0.985 -13.300 4.457 807 HG21 VAL 95 3HG2 VAL 95 -0.263 -10.951 7.094 808 HG22 VAL 95 1HG2 VAL 95 0.681 -9.558 6.565 809 HG23 VAL 95 2HG2 VAL 95 1.474 -10.896 7.396 810 H ARG 96 H ARG 96 3.776 -9.569 6.359 811 HA ARG 96 HA ARG 96 5.775 -11.718 6.778 812 HB2 ARG 96 2HB ARG 96 5.963 -8.704 7.257 813 HB3 ARG 96 3HB ARG 96 7.258 -9.852 7.585 814 HG2 ARG 96 2HG ARG 96 6.086 -9.224 4.853 815 HG3 ARG 96 3HG ARG 96 7.640 -8.661 5.471 816 HD2 ARG 96 2HD ARG 96 8.406 -11.035 5.616 817 HD3 ARG 96 3HD ARG 96 6.869 -11.554 4.914 818 HE ARG 96 HE ARG 96 8.321 -9.629 3.309 819 HH11 ARG 96 1HH1 ARG 96 7.923 -13.060 3.966 820 HH12 ARG 96 2HH1 ARG 96 8.548 -13.541 2.419 821 HH21 ARG 96 1HH2 ARG 96 9.133 -10.293 1.273 822 HH22 ARG 96 2HH2 ARG 96 9.226 -11.989 0.907 823 H THR 97 H THR 97 3.049 -11.299 8.081 824 HA THR 97 HA THR 97 3.903 -11.521 10.883 825 HB THR 97 HB THR 97 1.547 -9.791 9.954 826 HG1 THR 97 HG1 THR 97 3.979 -9.114 9.866 827 HG21 THR 97 3HG2 THR 97 1.135 -10.866 12.167 828 HG22 THR 97 1HG2 THR 97 1.351 -9.121 12.323 829 HG23 THR 97 2HG2 THR 97 2.664 -10.215 12.759 830 H GLU 98 H GLU 98 3.345 -13.566 11.394 831 HA GLU 98 HA GLU 98 1.158 -14.918 9.930 832 HB2 GLU 98 2HB GLU 98 3.429 -16.165 11.547 833 HB3 GLU 98 3HB GLU 98 2.318 -17.009 10.470 834 HG2 GLU 98 2HG GLU 98 4.499 -15.048 9.714 835 HG3 GLU 98 3HG GLU 98 4.462 -16.773 9.363 836 H VAL 99 H VAL 99 0.245 -13.224 11.845 837 HA VAL 99 HA VAL 99 -0.374 -14.782 14.251 838 HB VAL 99 HB VAL 99 -1.426 -12.749 15.137 839 HG11 VAL 99 1HG1 VAL 99 0.968 -13.013 15.518 840 HG12 VAL 99 2HG1 VAL 99 0.583 -11.304 15.317 841 HG13 VAL 99 3HG1 VAL 99 1.337 -12.198 13.995 842 HG21 VAL 99 3HG2 VAL 99 -1.365 -10.581 13.904 843 HG22 VAL 99 1HG2 VAL 99 -2.380 -11.776 13.094 844 HG23 VAL 99 2HG2 VAL 99 -0.768 -11.421 12.471 845 H GLY 100 H GLY 100 -2.736 -14.573 14.973 846 HA2 GLY 100 2HA GLY 100 -5.025 -14.245 13.801 847 HA3 GLY 100 3HA GLY 100 -4.449 -15.563 12.785 848 H SER 101 H SER 101 -6.559 -15.104 15.104 849 HA SER 101 HA SER 101 -6.267 -17.786 16.201 850 HB2 SER 101 2HB SER 101 -6.578 -16.935 18.586 851 HB3 SER 101 3HB SER 101 -5.012 -16.560 17.867 852 HG SER 101 HG SER 101 -6.817 -14.601 17.353 853 H SER 102 H SER 102 -8.141 -18.482 15.326 854 HA SER 102 HA SER 102 -10.707 -17.148 15.784 855 HB2 SER 102 2HB SER 102 -11.552 -19.240 14.551 856 HB3 SER 102 3HB SER 102 -10.428 -18.237 13.634 857 HG SER 102 HG SER 102 -9.730 -20.569 15.099 858 H TRP 103 H TRP 103 -9.567 -17.503 18.150 859 HA TRP 103 HA TRP 103 -9.976 -20.166 19.276 860 HB2 TRP 103 2HB TRP 103 -7.794 -18.945 19.471 861 HB3 TRP 103 3HB TRP 103 -8.599 -17.691 20.406 862 HD1 TRP 103 HD1 TRP 103 -8.961 -21.536 20.957 863 HE1 TRP 103 HE1 TRP 103 -8.142 -22.066 23.332 864 HE3 TRP 103 HE3 TRP 103 -7.297 -16.890 22.321 865 HZ2 TRP 103 HZ2 TRP 103 -6.934 -20.722 25.495 866 HZ3 TRP 103 HZ3 TRP 103 -6.317 -16.597 24.563 867 HH2 TRP 103 HH2 TRP 103 -6.139 -18.476 26.120 868 H SER 104 H SER 104 -12.167 -20.314 19.648 869 HA SER 104 HA SER 104 -13.617 -18.241 21.110 870 HB2 SER 104 2HB SER 104 -15.592 -19.761 20.691 871 HB3 SER 104 3HB SER 104 -14.767 -19.223 19.226 872 HG SER 104 HG SER 104 -14.599 -21.752 20.498 873 H LEU 105 H LEU 105 -13.867 -18.271 23.268 874 HA LEU 105 HA LEU 105 -13.638 -20.828 24.757 875 HB2 LEU 105 2HB LEU 105 -12.987 -18.065 25.876 876 HB3 LEU 105 3HB LEU 105 -12.850 -19.596 26.718 877 HG LEU 105 HG LEU 105 -11.049 -20.178 24.880 878 HD11 LEU 105 1HD1 LEU 105 -11.469 -18.297 23.379 879 HD12 LEU 105 2HD1 LEU 105 -9.819 -18.245 23.986 880 HD13 LEU 105 3HD1 LEU 105 -11.032 -17.148 24.649 881 HD21 LEU 105 3HD2 LEU 105 -10.422 -18.143 27.058 882 HD22 LEU 105 1HD2 LEU 105 -9.252 -19.193 26.252 883 HD23 LEU 105 2HD2 LEU 105 -10.511 -19.892 27.265 884 H GLU 106 H GLU 106 -15.892 -21.034 24.220 885 HA GLU 106 HA GLU 106 -17.759 -19.257 25.621 886 HB2 GLU 106 2HB GLU 106 -19.559 -20.275 24.342 887 HB3 GLU 106 3HB GLU 106 -18.299 -19.743 23.247 888 HG2 GLU 106 2HG GLU 106 -18.774 -22.616 24.102 889 HG3 GLU 106 3HG GLU 106 -19.343 -21.901 22.600 890 H HIS 107 H HIS 107 -18.448 -19.814 27.592 891 HA HIS 107 HA HIS 107 -18.676 -22.592 28.446 892 HB2 HIS 107 2HB HIS 107 -17.171 -22.313 30.412 893 HB3 HIS 107 3HB HIS 107 -16.298 -22.166 28.891 894 HD1 HIS 107 HD1 HIS 107 -16.693 -20.520 32.078 895 HD2 HIS 107 HD2 HIS 107 -15.828 -19.309 28.193 896 HE1 HIS 107 HE1 HIS 107 -15.670 -18.235 32.289 897 HE2 HIS 107 HE2 HIS 107 -15.298 -17.466 29.925 898 H HIS 108 H HIS 108 -20.439 -22.770 29.607 899 HA HIS 108 HA HIS 108 -20.893 -21.239 31.954 900 HB2 HIS 108 2HB HIS 108 -23.159 -20.395 31.479 901 HB3 HIS 108 3HB HIS 108 -22.018 -19.697 30.344 902 HD1 HIS 108 HD1 HIS 108 -22.072 -20.890 27.871 903 HD2 HIS 108 HD2 HIS 108 -25.373 -21.443 30.329 904 HE1 HIS 108 HE1 HIS 108 -23.916 -21.684 26.356 905 HE2 HIS 108 HE2 HIS 108 -25.857 -22.125 27.884 906 H HIS 109 H HIS 109 -21.032 -22.983 33.241 907 HA HIS 109 HA HIS 109 -22.406 -25.421 32.302 908 HB2 HIS 109 2HB HIS 109 -20.413 -24.996 34.563 909 HB3 HIS 109 3HB HIS 109 -21.260 -26.521 34.288 910 HD1 HIS 109 HD1 HIS 109 -20.477 -27.962 32.292 911 HD2 HIS 109 HD2 HIS 109 -18.394 -24.386 32.656 912 HE1 HIS 109 HE1 HIS 109 -18.519 -28.164 30.742 913 HE2 HIS 109 HE2 HIS 109 -17.368 -25.938 30.861 914 H HIS 110 H HIS 110 -24.174 -26.230 33.273 915 HA HIS 110 HA HIS 110 -25.284 -25.036 35.716 916 HB2 HIS 110 2HB HIS 110 -26.111 -23.640 33.819 917 HB3 HIS 110 3HB HIS 110 -26.775 -25.075 33.046 918 HD1 HIS 110 HD1 HIS 110 -27.351 -22.722 35.898 919 HD2 HIS 110 HD2 HIS 110 -29.194 -25.981 34.114 920 HE1 HIS 110 HE1 HIS 110 -29.649 -22.823 36.893 921 HE2 HIS 110 HE2 HIS 110 -30.804 -24.673 35.643 922 H HIS 111 H HIS 111 -25.878 -26.700 36.947 923 HA HIS 111 HA HIS 111 -27.058 -29.148 35.826 924 HB2 HIS 111 2HB HIS 111 -24.528 -29.098 37.544 925 HB3 HIS 111 3HB HIS 111 -25.505 -30.545 37.308 926 HD1 HIS 111 HD1 HIS 111 -25.425 -31.662 34.969 927 HD2 HIS 111 HD2 HIS 111 -22.911 -28.375 35.342 928 HE1 HIS 111 HE1 HIS 111 -23.938 -31.720 32.949 929 HE2 HIS 111 HE2 HIS 111 -22.301 -29.847 33.305 930 H HIS 112 H HIS 112 -28.545 -30.083 37.160 931 HA HIS 112 HA HIS 112 -28.726 -29.589 39.978 932 HB2 HIS 112 2HB HIS 112 -30.978 -28.475 39.976 933 HB3 HIS 112 3HB HIS 112 -29.710 -27.455 39.311 934 HD1 HIS 112 HD1 HIS 112 -33.004 -28.856 38.533 935 HD2 HIS 112 HD2 HIS 112 -29.827 -27.216 36.415 936 HE1 HIS 112 HE1 HIS 112 -33.920 -28.309 36.262 937 HE2 HIS 112 HE2 HIS 112 -31.942 -27.512 34.944 Start of MODEL 12 1 H1 MET 1 1H MET 1 -4.480 -4.236 20.896 2 H2 MET 1 2H MET 1 -4.790 -2.580 20.874 3 H3 MET 1 3H MET 1 -3.224 -3.145 21.150 4 HA MET 1 HA MET 1 -4.764 -3.489 18.651 5 HB2 MET 1 2HB MET 1 -2.432 -1.637 19.336 6 HB3 MET 1 3HB MET 1 -2.977 -1.940 17.691 7 HG2 MET 1 2HG MET 1 -4.636 -0.667 19.877 8 HG3 MET 1 3HG MET 1 -3.827 0.190 18.558 9 HE1 MET 1 3HE MET 1 -6.852 0.823 18.878 10 HE2 MET 1 1HE MET 1 -7.461 0.563 17.244 11 HE3 MET 1 2HE MET 1 -5.904 1.356 17.488 12 H LEU 2 H LEU 2 -3.911 -4.952 17.212 13 HA LEU 2 HA LEU 2 -1.240 -6.101 17.720 14 HB2 LEU 2 2HB LEU 2 -1.878 -7.877 16.079 15 HB3 LEU 2 3HB LEU 2 -2.905 -7.823 17.494 16 HG LEU 2 HG LEU 2 -4.576 -6.488 15.974 17 HD11 LEU 2 1HD1 LEU 2 -3.130 -6.083 14.049 18 HD12 LEU 2 2HD1 LEU 2 -4.533 -7.039 13.585 19 HD13 LEU 2 3HD1 LEU 2 -2.962 -7.821 13.779 20 HD21 LEU 2 3HD2 LEU 2 -5.652 -8.539 15.206 21 HD22 LEU 2 1HD2 LEU 2 -5.035 -8.729 16.846 22 HD23 LEU 2 2HD2 LEU 2 -4.166 -9.451 15.490 23 H THR 3 H THR 3 0.253 -6.242 15.925 24 HA THR 3 HA THR 3 -0.081 -4.013 13.986 25 HB THR 3 HB THR 3 2.525 -5.094 15.170 26 HG1 THR 3 HG1 THR 3 1.432 -3.915 16.725 27 HG21 THR 3 3HG2 THR 3 2.015 -2.672 13.391 28 HG22 THR 3 1HG2 THR 3 2.811 -4.166 12.889 29 HG23 THR 3 2HG2 THR 3 3.565 -3.132 14.102 30 H VAL 4 H VAL 4 -0.601 -4.887 12.073 31 HA VAL 4 HA VAL 4 0.667 -7.394 11.171 32 HB VAL 4 HB VAL 4 -1.757 -7.464 11.015 33 HG11 VAL 4 1HG1 VAL 4 -3.087 -5.989 9.579 34 HG12 VAL 4 2HG1 VAL 4 -1.651 -5.022 9.228 35 HG13 VAL 4 3HG1 VAL 4 -2.289 -5.087 10.871 36 HG21 VAL 4 3HG2 VAL 4 -0.489 -8.651 9.271 37 HG22 VAL 4 1HG2 VAL 4 -0.531 -7.218 8.238 38 HG23 VAL 4 2HG2 VAL 4 -2.028 -8.070 8.631 39 H GLU 5 H GLU 5 2.554 -6.976 10.262 40 HA GLU 5 HA GLU 5 2.885 -4.772 8.324 41 HB2 GLU 5 2HB GLU 5 4.903 -6.694 9.571 42 HB3 GLU 5 3HB GLU 5 5.311 -5.572 8.276 43 HG2 GLU 5 2HG GLU 5 4.610 -3.682 9.766 44 HG3 GLU 5 3HG GLU 5 4.370 -4.849 11.063 45 H VAL 6 H VAL 6 3.006 -5.146 6.202 46 HA VAL 6 HA VAL 6 3.455 -7.868 5.176 47 HB VAL 6 HB VAL 6 1.043 -7.553 4.985 48 HG11 VAL 6 1HG1 VAL 6 1.557 -5.001 3.430 49 HG12 VAL 6 2HG1 VAL 6 0.876 -5.115 5.053 50 HG13 VAL 6 3HG1 VAL 6 -0.017 -5.766 3.679 51 HG21 VAL 6 3HG2 VAL 6 0.756 -7.920 2.566 52 HG22 VAL 6 1HG2 VAL 6 2.186 -8.757 3.168 53 HG23 VAL 6 2HG2 VAL 6 2.362 -7.254 2.258 54 H GLU 7 H GLU 7 5.093 -7.879 3.855 55 HA GLU 7 HA GLU 7 6.272 -5.424 2.768 56 HB2 GLU 7 2HB GLU 7 7.657 -7.016 4.089 57 HB3 GLU 7 3HB GLU 7 7.299 -8.298 2.942 58 HG2 GLU 7 2HG GLU 7 8.625 -5.771 1.972 59 HG3 GLU 7 3HG GLU 7 9.578 -6.967 2.829 60 H VAL 8 H VAL 8 5.510 -4.890 0.835 61 HA VAL 8 HA VAL 8 4.537 -6.945 -1.063 62 HB VAL 8 HB VAL 8 3.769 -3.978 -0.900 63 HG11 VAL 8 1HG1 VAL 8 2.645 -6.192 -2.659 64 HG12 VAL 8 2HG1 VAL 8 3.638 -4.833 -3.190 65 HG13 VAL 8 3HG1 VAL 8 2.020 -4.543 -2.554 66 HG21 VAL 8 3HG2 VAL 8 1.568 -4.743 -0.080 67 HG22 VAL 8 1HG2 VAL 8 2.862 -5.227 1.019 68 HG23 VAL 8 2HG2 VAL 8 2.140 -6.415 -0.070 69 H LYS 9 H LYS 9 6.136 -7.342 -2.527 70 HA LYS 9 HA LYS 9 8.102 -5.291 -3.202 71 HB2 LYS 9 2HB LYS 9 8.690 -7.745 -2.745 72 HB3 LYS 9 3HB LYS 9 7.953 -8.137 -4.293 73 HG2 LYS 9 2HG LYS 9 10.379 -7.980 -4.522 74 HG3 LYS 9 3HG LYS 9 9.596 -6.704 -5.451 75 HD2 LYS 9 2HD LYS 9 11.576 -5.829 -4.315 76 HD3 LYS 9 3HD LYS 9 10.124 -5.073 -3.655 77 HE2 LYS 9 2HE LYS 9 11.748 -5.666 -1.895 78 HE3 LYS 9 3HE LYS 9 10.230 -6.536 -1.692 79 HZ1 LYS 9 3HZ LYS 9 12.713 -7.641 -2.886 80 HZ2 LYS 9 1HZ LYS 9 11.261 -8.485 -2.680 81 HZ3 LYS 9 2HZ LYS 9 12.134 -7.961 -1.331 82 H ILE 10 H ILE 10 7.570 -3.884 -4.695 83 HA ILE 10 HA ILE 10 5.533 -4.432 -6.738 84 HB ILE 10 HB ILE 10 6.789 -1.765 -5.902 85 HG12 ILE 10 2HG1 ILE 10 4.110 -2.987 -5.095 86 HG13 ILE 10 3HG1 ILE 10 5.511 -2.798 -4.048 87 HG21 ILE 10 1HG2 ILE 10 4.907 -0.724 -7.140 88 HG22 ILE 10 2HG2 ILE 10 4.345 -2.319 -7.642 89 HG23 ILE 10 3HG2 ILE 10 5.904 -1.715 -8.206 90 HD11 ILE 10 3HD1 ILE 10 3.856 -1.125 -3.590 91 HD12 ILE 10 1HD1 ILE 10 3.893 -0.568 -5.261 92 HD13 ILE 10 2HD1 ILE 10 5.315 -0.372 -4.230 93 H THR 11 H THR 11 6.478 -5.279 -8.523 94 HA THR 11 HA THR 11 8.964 -4.131 -9.608 95 HB THR 11 HB THR 11 9.110 -6.513 -9.483 96 HG1 THR 11 HG1 THR 11 8.425 -6.182 -12.204 97 HG21 THR 11 3HG2 THR 11 6.478 -6.713 -10.983 98 HG22 THR 11 1HG2 THR 11 6.752 -7.161 -9.299 99 HG23 THR 11 2HG2 THR 11 7.534 -8.072 -10.593 100 H ALA 12 H ALA 12 8.933 -2.829 -11.296 101 HA ALA 12 HA ALA 12 6.826 -2.720 -13.303 102 HB1 ALA 12 3HB ALA 12 7.366 -0.344 -11.467 103 HB2 ALA 12 1HB ALA 12 5.884 -1.298 -11.509 104 HB3 ALA 12 2HB ALA 12 6.339 -0.315 -12.903 105 H ASP 13 H ASP 13 7.456 -1.251 -15.071 106 HA ASP 13 HA ASP 13 10.249 -1.467 -15.694 107 HB2 ASP 13 2HB ASP 13 7.962 -0.128 -17.193 108 HB3 ASP 13 3HB ASP 13 9.610 -0.197 -17.815 109 H ASP 14 H ASP 14 8.170 1.161 -14.611 110 HA ASP 14 HA ASP 14 10.651 2.705 -14.033 111 HB2 ASP 14 2HB ASP 14 7.810 3.735 -14.376 112 HB3 ASP 14 3HB ASP 14 9.134 4.707 -13.740 113 H GLU 15 H GLU 15 11.057 1.488 -12.224 114 HA GLU 15 HA GLU 15 9.433 1.016 -10.014 115 HB2 GLU 15 2HB GLU 15 11.482 0.689 -8.737 116 HB3 GLU 15 3HB GLU 15 11.700 0.050 -10.357 117 HG2 GLU 15 2HG GLU 15 12.746 2.724 -9.405 118 HG3 GLU 15 3HG GLU 15 13.697 1.247 -9.476 119 H ASN 16 H ASN 16 11.155 3.966 -10.916 120 HA ASN 16 HA ASN 16 10.894 5.360 -8.446 121 HB2 ASN 16 2HB ASN 16 12.585 6.081 -10.037 122 HB3 ASN 16 3HB ASN 16 11.372 6.379 -11.274 123 HD21 ASN 16 1HD2 ASN 16 10.948 7.373 -7.880 124 HD22 ASN 16 2HD2 ASN 16 11.048 9.063 -8.196 125 H LYS 17 H LYS 17 9.059 5.612 -11.545 126 HA LYS 17 HA LYS 17 7.162 7.495 -10.566 127 HB2 LYS 17 2HB LYS 17 6.999 5.579 -12.930 128 HB3 LYS 17 3HB LYS 17 5.802 6.826 -12.595 129 HG2 LYS 17 2HG LYS 17 8.729 7.318 -13.202 130 HG3 LYS 17 3HG LYS 17 7.399 7.482 -14.352 131 HD2 LYS 17 2HD LYS 17 6.419 9.284 -12.942 132 HD3 LYS 17 3HD LYS 17 7.764 9.118 -11.810 133 HE2 LYS 17 2HE LYS 17 9.340 9.791 -13.566 134 HE3 LYS 17 3HE LYS 17 8.013 9.925 -14.721 135 HZ1 LYS 17 3HZ LYS 17 8.392 11.571 -12.275 136 HZ2 LYS 17 1HZ LYS 17 7.045 11.663 -13.293 137 HZ3 LYS 17 2HZ LYS 17 8.572 12.085 -13.873 138 H ALA 18 H ALA 18 7.278 3.977 -10.677 139 HA ALA 18 HA ALA 18 4.709 3.290 -9.855 140 HB1 ALA 18 3HB ALA 18 6.368 1.617 -10.559 141 HB2 ALA 18 1HB ALA 18 5.689 1.202 -8.986 142 HB3 ALA 18 2HB ALA 18 7.309 1.903 -9.095 143 H GLU 19 H GLU 19 7.588 3.986 -7.892 144 HA GLU 19 HA GLU 19 6.424 3.681 -5.352 145 HB2 GLU 19 2HB GLU 19 8.873 3.688 -5.771 146 HB3 GLU 19 3HB GLU 19 8.808 5.406 -6.164 147 HG2 GLU 19 2HG GLU 19 7.989 5.873 -3.877 148 HG3 GLU 19 3HG GLU 19 8.126 4.167 -3.480 149 H GLU 20 H GLU 20 6.894 6.605 -7.377 150 HA GLU 20 HA GLU 20 6.038 8.490 -5.466 151 HB2 GLU 20 2HB GLU 20 5.808 8.829 -8.479 152 HB3 GLU 20 3HB GLU 20 5.840 10.107 -7.273 153 HG2 GLU 20 2HG GLU 20 8.105 8.374 -8.249 154 HG3 GLU 20 3HG GLU 20 7.986 10.127 -8.216 155 H ILE 21 H ILE 21 4.246 6.731 -7.973 156 HA ILE 21 HA ILE 21 1.683 7.834 -7.589 157 HB ILE 21 HB ILE 21 2.539 5.067 -8.569 158 HG12 ILE 21 2HG1 ILE 21 1.454 7.462 -10.137 159 HG13 ILE 21 3HG1 ILE 21 3.156 7.021 -10.031 160 HG21 ILE 21 1HG2 ILE 21 0.265 4.858 -7.664 161 HG22 ILE 21 2HG2 ILE 21 0.235 4.740 -9.422 162 HG23 ILE 21 3HG2 ILE 21 -0.267 6.236 -8.631 163 HD11 ILE 21 3HD1 ILE 21 2.241 6.262 -12.117 164 HD12 ILE 21 1HD1 ILE 21 0.957 5.382 -11.286 165 HD13 ILE 21 2HD1 ILE 21 2.638 4.869 -11.113 166 H VAL 22 H VAL 22 3.162 4.869 -6.205 167 HA VAL 22 HA VAL 22 0.937 4.012 -4.733 168 HB VAL 22 HB VAL 22 3.909 3.410 -4.357 169 HG11 VAL 22 1HG1 VAL 22 2.782 2.996 -2.211 170 HG12 VAL 22 2HG1 VAL 22 3.252 1.475 -2.965 171 HG13 VAL 22 3HG1 VAL 22 1.565 2.000 -3.012 172 HG21 VAL 22 3HG2 VAL 22 3.379 1.297 -5.495 173 HG22 VAL 22 1HG2 VAL 22 2.892 2.664 -6.496 174 HG23 VAL 22 2HG2 VAL 22 1.675 1.749 -5.604 175 H LYS 23 H LYS 23 3.725 5.993 -3.673 176 HA LYS 23 HA LYS 23 2.998 6.326 -0.967 177 HB2 LYS 23 2HB LYS 23 4.585 8.202 -2.777 178 HB3 LYS 23 3HB LYS 23 4.475 8.365 -1.024 179 HG2 LYS 23 2HG LYS 23 5.549 6.168 -0.745 180 HG3 LYS 23 3HG LYS 23 5.661 5.989 -2.495 181 HD2 LYS 23 2HD LYS 23 7.060 8.105 -0.810 182 HD3 LYS 23 3HD LYS 23 7.816 6.692 -1.550 183 HE2 LYS 23 2HE LYS 23 7.074 7.628 -3.805 184 HE3 LYS 23 3HE LYS 23 6.642 9.112 -2.948 185 HZ1 LYS 23 3HZ LYS 23 8.847 9.296 -3.868 186 HZ2 LYS 23 1HZ LYS 23 9.341 7.880 -3.092 187 HZ3 LYS 23 2HZ LYS 23 8.964 9.247 -2.184 188 H ARG 24 H ARG 24 2.300 8.315 -3.843 189 HA ARG 24 HA ARG 24 0.868 10.414 -2.656 190 HB2 ARG 24 2HB ARG 24 1.680 10.284 -5.070 191 HB3 ARG 24 3HB ARG 24 0.336 9.202 -5.404 192 HG2 ARG 24 2HG ARG 24 -1.063 11.288 -4.371 193 HG3 ARG 24 3HG ARG 24 0.339 12.174 -4.978 194 HD2 ARG 24 2HD ARG 24 -1.233 12.208 -6.754 195 HD3 ARG 24 3HD ARG 24 -0.077 10.954 -7.221 196 HE ARG 24 HE ARG 24 -2.427 10.072 -5.744 197 HH11 ARG 24 1HH1 ARG 24 -0.975 10.426 -8.928 198 HH12 ARG 24 2HH1 ARG 24 -2.070 9.308 -9.677 199 HH21 ARG 24 1HH2 ARG 24 -3.891 8.711 -6.704 200 HH22 ARG 24 2HH2 ARG 24 -3.758 8.315 -8.398 201 H VAL 25 H VAL 25 -0.197 7.246 -3.822 202 HA VAL 25 HA VAL 25 -2.998 7.797 -3.599 203 HB VAL 25 HB VAL 25 -1.565 5.141 -4.089 204 HG11 VAL 25 1HG1 VAL 25 -3.761 4.315 -4.865 205 HG12 VAL 25 2HG1 VAL 25 -4.518 5.832 -4.371 206 HG13 VAL 25 3HG1 VAL 25 -3.811 4.761 -3.160 207 HG21 VAL 25 3HG2 VAL 25 -2.174 5.476 -6.442 208 HG22 VAL 25 1HG2 VAL 25 -1.208 6.832 -5.870 209 HG23 VAL 25 2HG2 VAL 25 -2.951 7.016 -6.056 210 H ILE 26 H ILE 26 -0.672 5.883 -1.633 211 HA ILE 26 HA ILE 26 -2.556 4.925 0.260 212 HB ILE 26 HB ILE 26 0.413 5.494 0.756 213 HG12 ILE 26 2HG1 ILE 26 -0.885 2.838 -0.019 214 HG13 ILE 26 3HG1 ILE 26 -0.051 3.891 -1.155 215 HG21 ILE 26 1HG2 ILE 26 -1.495 3.673 2.295 216 HG22 ILE 26 2HG2 ILE 26 -0.850 5.212 2.870 217 HG23 ILE 26 3HG2 ILE 26 0.236 3.850 2.606 218 HD11 ILE 26 3HD1 ILE 26 2.017 3.629 0.086 219 HD12 ILE 26 1HD1 ILE 26 1.364 2.071 -0.415 220 HD13 ILE 26 2HD1 ILE 26 1.196 2.596 1.259 221 H ASP 27 H ASP 27 -0.806 7.962 -0.069 222 HA ASP 27 HA ASP 27 -1.500 9.170 2.402 223 HB2 ASP 27 2HB ASP 27 0.225 10.046 0.808 224 HB3 ASP 27 3HB ASP 27 -1.048 10.514 -0.311 225 H GLU 28 H GLU 28 -3.182 8.925 -0.699 226 HA GLU 28 HA GLU 28 -5.448 10.566 0.052 227 HB2 GLU 28 2HB GLU 28 -5.062 8.703 -2.336 228 HB3 GLU 28 3HB GLU 28 -6.370 9.868 -2.152 229 HG2 GLU 28 2HG GLU 28 -4.815 11.721 -2.287 230 HG3 GLU 28 3HG GLU 28 -3.439 10.622 -2.298 231 H VAL 29 H VAL 29 -4.602 7.205 0.397 232 HA VAL 29 HA VAL 29 -7.324 6.243 0.835 233 HB VAL 29 HB VAL 29 -4.609 4.846 1.153 234 HG11 VAL 29 1HG1 VAL 29 -6.235 3.793 2.660 235 HG12 VAL 29 2HG1 VAL 29 -5.858 2.719 1.314 236 HG13 VAL 29 3HG1 VAL 29 -7.386 3.607 1.334 237 HG21 VAL 29 3HG2 VAL 29 -6.719 4.566 -1.020 238 HG22 VAL 29 1HG2 VAL 29 -5.209 3.655 -0.915 239 HG23 VAL 29 2HG2 VAL 29 -5.172 5.397 -1.174 240 H GLU 30 H GLU 30 -4.500 7.207 2.675 241 HA GLU 30 HA GLU 30 -5.118 5.978 5.142 242 HB2 GLU 30 2HB GLU 30 -2.831 6.713 4.410 243 HB3 GLU 30 3HB GLU 30 -3.315 8.390 4.646 244 HG2 GLU 30 2HG GLU 30 -3.605 8.011 7.032 245 HG3 GLU 30 3HG GLU 30 -3.251 6.291 6.844 246 H ARG 31 H ARG 31 -5.703 9.199 3.844 247 HA ARG 31 HA ARG 31 -6.762 10.480 6.122 248 HB2 ARG 31 2HB ARG 31 -7.764 12.080 4.529 249 HB3 ARG 31 3HB ARG 31 -6.116 11.687 4.055 250 HG2 ARG 31 2HG ARG 31 -6.971 10.149 2.325 251 HG3 ARG 31 3HG ARG 31 -8.621 10.507 2.825 252 HD2 ARG 31 2HD ARG 31 -8.178 12.936 2.196 253 HD3 ARG 31 3HD ARG 31 -6.654 12.386 1.478 254 HE ARG 31 HE ARG 31 -9.175 11.116 0.633 255 HH11 ARG 31 1HH1 ARG 31 -6.483 13.249 -0.217 256 HH12 ARG 31 2HH1 ARG 31 -6.848 13.210 -1.913 257 HH21 ARG 31 1HH2 ARG 31 -9.622 11.069 -1.588 258 HH22 ARG 31 2HH2 ARG 31 -8.628 11.973 -2.688 259 H GLU 32 H GLU 32 -8.247 8.312 3.755 260 HA GLU 32 HA GLU 32 -10.964 8.564 4.650 261 HB2 GLU 32 2HB GLU 32 -9.696 6.288 3.051 262 HB3 GLU 32 3HB GLU 32 -11.411 6.672 3.149 263 HG2 GLU 32 2HG GLU 32 -9.257 8.345 1.821 264 HG3 GLU 32 3HG GLU 32 -10.482 7.377 1.006 265 H VAL 33 H VAL 33 -8.286 6.335 5.213 266 HA VAL 33 HA VAL 33 -9.610 4.455 6.858 267 HB VAL 33 HB VAL 33 -6.651 5.191 6.628 268 HG11 VAL 33 1HG1 VAL 33 -6.974 4.173 8.831 269 HG12 VAL 33 2HG1 VAL 33 -6.125 3.049 7.768 270 HG13 VAL 33 3HG1 VAL 33 -7.846 2.816 8.110 271 HG21 VAL 33 3HG2 VAL 33 -6.479 3.113 5.303 272 HG22 VAL 33 1HG2 VAL 33 -7.626 4.242 4.581 273 HG23 VAL 33 2HG2 VAL 33 -8.215 2.843 5.484 274 H GLN 34 H GLN 34 -8.062 7.575 7.594 275 HA GLN 34 HA GLN 34 -8.138 7.234 10.441 276 HB2 GLN 34 2HB GLN 34 -7.979 9.825 8.841 277 HB3 GLN 34 3HB GLN 34 -7.687 9.672 10.570 278 HG2 GLN 34 2HG GLN 34 -5.996 8.596 8.306 279 HG3 GLN 34 3HG GLN 34 -5.564 9.827 9.479 280 HE21 GLN 34 1HE2 GLN 34 -5.887 6.401 8.902 281 HE22 GLN 34 2HE2 GLN 34 -5.071 5.875 10.331 282 H LYS 35 H LYS 35 -10.530 8.218 8.074 283 HA LYS 35 HA LYS 35 -12.391 9.360 9.979 284 HB2 LYS 35 2HB LYS 35 -12.807 8.323 7.137 285 HB3 LYS 35 3HB LYS 35 -14.062 9.111 8.091 286 HG2 LYS 35 2HG LYS 35 -12.670 11.181 8.158 287 HG3 LYS 35 3HG LYS 35 -11.478 10.378 7.125 288 HD2 LYS 35 2HD LYS 35 -13.148 10.137 5.330 289 HD3 LYS 35 3HD LYS 35 -14.393 10.847 6.361 290 HE2 LYS 35 2HE LYS 35 -11.906 12.268 5.357 291 HE3 LYS 35 3HE LYS 35 -13.539 12.459 4.720 292 HZ1 LYS 35 3HZ LYS 35 -13.019 14.251 6.207 293 HZ2 LYS 35 1HZ LYS 35 -12.631 13.179 7.448 294 HZ3 LYS 35 2HZ LYS 35 -14.218 13.298 6.905 295 H GLN 36 H GLN 36 -12.112 6.272 8.214 296 HA GLN 36 HA GLN 36 -14.513 5.136 9.331 297 HB2 GLN 36 2HB GLN 36 -12.308 3.820 7.679 298 HB3 GLN 36 3HB GLN 36 -13.905 3.149 7.975 299 HG2 GLN 36 2HG GLN 36 -13.421 5.759 6.506 300 HG3 GLN 36 3HG GLN 36 -13.573 4.196 5.709 301 HE21 GLN 36 1HE2 GLN 36 -15.337 5.098 4.525 302 HE22 GLN 36 2HE2 GLN 36 -16.908 5.240 5.229 303 H TYR 37 H TYR 37 -11.089 4.879 9.942 304 HA TYR 37 HA TYR 37 -11.515 3.183 12.327 305 HB2 TYR 37 2HB TYR 37 -9.004 3.010 10.586 306 HB3 TYR 37 3HB TYR 37 -9.526 1.905 11.848 307 HD1 TYR 37 HD1 TYR 37 -11.263 0.169 11.346 308 HD2 TYR 37 HD2 TYR 37 -9.891 2.838 8.299 309 HE1 TYR 37 HE1 TYR 37 -12.248 -1.281 9.622 310 HE2 TYR 37 HE2 TYR 37 -10.882 1.389 6.580 311 HH TYR 37 HH TYR 37 -13.081 -1.091 7.313 312 HA PRO 38 HA PRO 38 -9.730 7.437 13.165 313 HB2 PRO 38 2HB PRO 38 -10.685 7.676 15.761 314 HB3 PRO 38 3HB PRO 38 -11.630 8.056 14.308 315 HG2 PRO 38 2HG PRO 38 -11.638 5.538 15.948 316 HG3 PRO 38 3HG PRO 38 -13.014 6.465 15.303 317 HD2 PRO 38 2HD PRO 38 -12.154 4.235 14.075 318 HD3 PRO 38 3HD PRO 38 -12.731 5.634 13.135 319 H ASN 39 H ASN 39 -9.341 4.561 15.189 320 HA ASN 39 HA ASN 39 -6.939 5.731 16.480 321 HB2 ASN 39 2HB ASN 39 -8.631 3.303 17.224 322 HB3 ASN 39 3HB ASN 39 -7.135 3.734 18.044 323 HD21 ASN 39 1HD2 ASN 39 -10.437 4.738 17.426 324 HD22 ASN 39 2HD2 ASN 39 -10.561 5.830 18.760 325 H ALA 40 H ALA 40 -7.643 3.768 13.843 326 HA ALA 40 HA ALA 40 -5.440 1.882 14.166 327 HB1 ALA 40 3HB ALA 40 -7.523 1.152 13.073 328 HB2 ALA 40 1HB ALA 40 -6.132 0.990 11.997 329 HB3 ALA 40 2HB ALA 40 -7.263 2.328 11.784 330 H THR 41 H THR 41 -3.396 2.263 13.528 331 HA THR 41 HA THR 41 -2.786 4.764 12.071 332 HB THR 41 HB THR 41 -1.011 3.099 13.926 333 HG1 THR 41 HG1 THR 41 -2.464 5.516 14.401 334 HG21 THR 41 3HG2 THR 41 -0.583 5.899 12.811 335 HG22 THR 41 1HG2 THR 41 0.297 4.456 12.314 336 HG23 THR 41 2HG2 THR 41 0.464 5.065 13.964 337 H ILE 42 H ILE 42 -1.829 4.663 10.116 338 HA ILE 42 HA ILE 42 -0.633 2.144 9.122 339 HB ILE 42 HB ILE 42 -1.305 4.693 7.543 340 HG12 ILE 42 2HG1 ILE 42 -2.886 2.075 7.714 341 HG13 ILE 42 3HG1 ILE 42 -3.378 3.620 8.402 342 HG21 ILE 42 1HG2 ILE 42 -0.971 3.310 5.525 343 HG22 ILE 42 2HG2 ILE 42 -0.576 1.909 6.524 344 HG23 ILE 42 3HG2 ILE 42 0.492 3.315 6.514 345 HD11 ILE 42 3HD1 ILE 42 -4.560 3.161 6.353 346 HD12 ILE 42 1HD1 ILE 42 -3.044 3.022 5.465 347 HD13 ILE 42 2HD1 ILE 42 -3.528 4.574 6.158 348 H THR 43 H THR 43 1.521 2.057 8.625 349 HA THR 43 HA THR 43 3.194 4.484 8.676 350 HB THR 43 HB THR 43 3.866 1.781 9.952 351 HG1 THR 43 HG1 THR 43 3.079 4.284 10.947 352 HG21 THR 43 3HG2 THR 43 5.596 4.268 9.730 353 HG22 THR 43 1HG2 THR 43 5.880 2.740 8.906 354 HG23 THR 43 2HG2 THR 43 5.987 2.823 10.668 355 H ARG 44 H ARG 44 3.711 4.713 6.604 356 HA ARG 44 HA ARG 44 4.267 2.368 4.885 357 HB2 ARG 44 2HB ARG 44 3.689 3.799 2.978 358 HB3 ARG 44 3HB ARG 44 2.381 3.800 4.152 359 HG2 ARG 44 2HG ARG 44 3.268 6.028 4.994 360 HG3 ARG 44 3HG ARG 44 4.383 6.018 3.632 361 HD2 ARG 44 2HD ARG 44 2.391 5.905 2.092 362 HD3 ARG 44 3HD ARG 44 1.348 6.105 3.506 363 HE ARG 44 HE ARG 44 3.351 8.110 2.619 364 HH11 ARG 44 1HH1 ARG 44 0.150 7.417 3.969 365 HH12 ARG 44 2HH1 ARG 44 -0.283 9.091 4.079 366 HH21 ARG 44 1HH2 ARG 44 2.742 10.290 2.773 367 HH22 ARG 44 2HH2 ARG 44 1.182 10.717 3.401 368 H THR 45 H THR 45 6.244 2.115 4.024 369 HA THR 45 HA THR 45 8.120 4.350 3.701 370 HB THR 45 HB THR 45 8.845 1.827 5.290 371 HG1 THR 45 HG1 THR 45 8.074 4.365 6.012 372 HG21 THR 45 3HG2 THR 45 10.624 4.162 4.462 373 HG22 THR 45 1HG2 THR 45 10.746 2.509 3.857 374 HG23 THR 45 2HG2 THR 45 11.099 2.857 5.552 375 H LEU 46 H LEU 46 8.844 4.190 1.647 376 HA LEU 46 HA LEU 46 9.003 1.525 0.349 377 HB2 LEU 46 2HB LEU 46 8.382 4.225 -0.922 378 HB3 LEU 46 3HB LEU 46 8.694 2.748 -1.817 379 HG LEU 46 HG LEU 46 6.662 1.743 -0.540 380 HD11 LEU 46 1HD1 LEU 46 4.931 3.366 0.161 381 HD12 LEU 46 2HD1 LEU 46 6.107 4.670 0.005 382 HD13 LEU 46 3HD1 LEU 46 6.359 3.395 1.190 383 HD21 LEU 46 3HD2 LEU 46 5.079 2.598 -2.185 384 HD22 LEU 46 1HD2 LEU 46 6.634 2.241 -2.931 385 HD23 LEU 46 2HD2 LEU 46 6.179 3.915 -2.599 386 H THR 47 H THR 47 10.837 0.985 -0.692 387 HA THR 47 HA THR 47 13.092 2.892 -0.964 388 HB THR 47 HB THR 47 13.287 0.195 0.498 389 HG1 THR 47 HG1 THR 47 13.088 2.842 1.382 390 HG21 THR 47 3HG2 THR 47 15.639 0.806 0.947 391 HG22 THR 47 1HG2 THR 47 15.459 2.258 -0.041 392 HG23 THR 47 2HG2 THR 47 15.348 0.660 -0.786 393 H ARG 48 H ARG 48 14.354 2.416 -2.800 394 HA ARG 48 HA ARG 48 13.393 0.294 -4.567 395 HB2 ARG 48 2HB ARG 48 15.721 2.212 -5.084 396 HB3 ARG 48 3HB ARG 48 14.955 1.152 -6.256 397 HG2 ARG 48 2HG ARG 48 14.057 3.237 -6.788 398 HG3 ARG 48 3HG ARG 48 12.796 2.516 -5.789 399 HD2 ARG 48 2HD ARG 48 13.651 3.789 -3.828 400 HD3 ARG 48 3HD ARG 48 14.870 4.535 -4.866 401 HE ARG 48 HE ARG 48 11.973 5.007 -4.920 402 HH11 ARG 48 1HH1 ARG 48 15.146 5.882 -6.120 403 HH12 ARG 48 2HH1 ARG 48 14.605 7.378 -6.812 404 HH21 ARG 48 1HH2 ARG 48 11.285 7.017 -5.708 405 HH22 ARG 48 2HH2 ARG 48 12.416 8.019 -6.575 406 H ASP 49 H ASP 49 13.982 -1.628 -3.774 407 HA ASP 49 HA ASP 49 16.506 -2.244 -2.554 408 HB2 ASP 49 2HB ASP 49 14.289 -3.385 -2.030 409 HB3 ASP 49 3HB ASP 49 14.386 -4.194 -3.588 410 H ASP 50 H ASP 50 17.878 -1.486 -4.233 411 HA ASP 50 HA ASP 50 19.443 -1.729 -5.800 412 HB2 ASP 50 2HB ASP 50 19.635 -4.099 -5.154 413 HB3 ASP 50 3HB ASP 50 18.345 -4.529 -6.271 414 H GLY 51 H GLY 51 16.148 -2.427 -6.750 415 HA2 GLY 51 2HA GLY 51 16.110 -0.686 -8.936 416 HA3 GLY 51 3HA GLY 51 16.371 -2.311 -9.555 417 H THR 52 H THR 52 14.714 -3.304 -7.168 418 HA THR 52 HA THR 52 12.017 -2.756 -8.255 419 HB THR 52 HB THR 52 12.923 -5.094 -6.494 420 HG1 THR 52 HG1 THR 52 13.970 -5.045 -8.582 421 HG21 THR 52 3HG2 THR 52 10.453 -4.792 -8.258 422 HG22 THR 52 1HG2 THR 52 10.462 -4.655 -6.497 423 HG23 THR 52 2HG2 THR 52 10.867 -6.189 -7.263 424 H VAL 53 H VAL 53 10.493 -1.799 -6.881 425 HA VAL 53 HA VAL 53 11.525 -0.622 -4.426 426 HB VAL 53 HB VAL 53 8.793 -0.257 -5.776 427 HG11 VAL 53 1HG1 VAL 53 8.493 1.701 -4.284 428 HG12 VAL 53 2HG1 VAL 53 10.005 1.315 -3.454 429 HG13 VAL 53 3HG1 VAL 53 8.634 0.208 -3.352 430 HG21 VAL 53 3HG2 VAL 53 9.698 1.938 -6.478 431 HG22 VAL 53 1HG2 VAL 53 10.645 0.598 -7.129 432 HG23 VAL 53 2HG2 VAL 53 11.260 1.527 -5.761 433 H GLU 54 H GLU 54 11.158 -1.338 -2.460 434 HA GLU 54 HA GLU 54 9.268 -3.485 -1.900 435 HB2 GLU 54 2HB GLU 54 11.659 -3.697 -1.159 436 HB3 GLU 54 3HB GLU 54 11.468 -2.262 -0.157 437 HG2 GLU 54 2HG GLU 54 9.828 -3.378 1.225 438 HG3 GLU 54 3HG GLU 54 9.842 -4.810 0.195 439 H LEU 55 H LEU 55 7.351 -2.873 -1.207 440 HA LEU 55 HA LEU 55 6.845 -0.283 0.076 441 HB2 LEU 55 2HB LEU 55 5.346 -0.857 -1.738 442 HB3 LEU 55 3HB LEU 55 5.048 -2.454 -1.075 443 HG LEU 55 HG LEU 55 3.797 -1.427 0.822 444 HD11 LEU 55 1HD1 LEU 55 3.139 0.923 0.769 445 HD12 LEU 55 2HD1 LEU 55 4.202 1.201 -0.613 446 HD13 LEU 55 3HD1 LEU 55 4.882 0.737 0.950 447 HD21 LEU 55 3HD2 LEU 55 2.576 -2.202 -1.159 448 HD22 LEU 55 1HD2 LEU 55 2.760 -0.617 -1.918 449 HD23 LEU 55 2HD2 LEU 55 1.786 -0.794 -0.453 450 H ARG 56 H ARG 56 6.753 -0.175 2.225 451 HA ARG 56 HA ARG 56 6.301 -2.606 3.862 452 HB2 ARG 56 2HB ARG 56 7.563 0.072 4.621 453 HB3 ARG 56 3HB ARG 56 7.368 -1.302 5.701 454 HG2 ARG 56 2HG ARG 56 9.117 -1.203 3.224 455 HG3 ARG 56 3HG ARG 56 9.671 -1.135 4.898 456 HD2 ARG 56 2HD ARG 56 8.264 -3.494 3.599 457 HD3 ARG 56 3HD ARG 56 9.996 -3.360 3.917 458 HE ARG 56 HE ARG 56 8.168 -3.129 6.197 459 HH11 ARG 56 1HH1 ARG 56 10.471 -5.143 4.438 460 HH12 ARG 56 2HH1 ARG 56 10.706 -6.243 5.766 461 HH21 ARG 56 1HH2 ARG 56 8.486 -4.564 7.935 462 HH22 ARG 56 2HH2 ARG 56 9.570 -5.907 7.754 463 H ILE 57 H ILE 57 4.113 -2.734 4.092 464 HA ILE 57 HA ILE 57 2.627 -0.359 5.068 465 HB ILE 57 HB ILE 57 1.635 -3.031 3.956 466 HG12 ILE 57 2HG1 ILE 57 2.400 -1.465 2.219 467 HG13 ILE 57 3HG1 ILE 57 0.650 -1.640 2.143 468 HG21 ILE 57 1HG2 ILE 57 0.112 -2.350 5.755 469 HG22 ILE 57 2HG2 ILE 57 -0.672 -2.156 4.189 470 HG23 ILE 57 3HG2 ILE 57 -0.052 -0.742 5.044 471 HD11 ILE 57 3HD1 ILE 57 1.318 0.662 1.805 472 HD12 ILE 57 1HD1 ILE 57 2.150 0.686 3.358 473 HD13 ILE 57 2HD1 ILE 57 0.392 0.517 3.297 474 H LYS 58 H LYS 58 2.774 -0.200 7.191 475 HA LYS 58 HA LYS 58 2.478 -2.592 8.922 476 HB2 LYS 58 2HB LYS 58 4.636 -1.489 9.239 477 HB3 LYS 58 3HB LYS 58 3.874 0.090 9.370 478 HG2 LYS 58 2HG LYS 58 2.832 -0.582 11.508 479 HG3 LYS 58 3HG LYS 58 3.583 -2.177 11.375 480 HD2 LYS 58 2HD LYS 58 5.837 -1.114 11.479 481 HD3 LYS 58 3HD LYS 58 5.075 0.477 11.602 482 HE2 LYS 58 2HE LYS 58 4.028 -0.189 13.741 483 HE3 LYS 58 3HE LYS 58 4.778 -1.780 13.611 484 HZ1 LYS 58 3HZ LYS 58 6.957 -0.689 13.706 485 HZ2 LYS 58 1HZ LYS 58 6.030 -0.390 15.089 486 HZ3 LYS 58 2HZ LYS 58 6.201 0.809 13.913 487 H VAL 59 H VAL 59 0.316 -2.683 9.281 488 HA VAL 59 HA VAL 59 -1.157 -0.213 10.010 489 HB VAL 59 HB VAL 59 -2.308 -2.945 9.186 490 HG11 VAL 59 1HG1 VAL 59 -3.744 -0.312 9.705 491 HG12 VAL 59 2HG1 VAL 59 -3.789 -1.743 10.737 492 HG13 VAL 59 3HG1 VAL 59 -4.484 -1.805 9.120 493 HG21 VAL 59 3HG2 VAL 59 -2.162 -0.338 7.608 494 HG22 VAL 59 1HG2 VAL 59 -2.974 -1.819 7.087 495 HG23 VAL 59 2HG2 VAL 59 -1.222 -1.799 7.292 496 H LYS 60 H LYS 60 -2.070 -0.038 11.998 497 HA LYS 60 HA LYS 60 -1.674 -2.216 13.975 498 HB2 LYS 60 2HB LYS 60 -0.117 -0.290 14.329 499 HB3 LYS 60 3HB LYS 60 -1.494 0.806 14.411 500 HG2 LYS 60 2HG LYS 60 -2.294 -0.362 16.445 501 HG3 LYS 60 3HG LYS 60 -0.901 -1.444 16.366 502 HD2 LYS 60 2HD LYS 60 -0.561 0.368 18.028 503 HD3 LYS 60 3HD LYS 60 0.629 0.461 16.728 504 HE2 LYS 60 2HE LYS 60 -0.625 2.276 15.671 505 HE3 LYS 60 3HE LYS 60 -1.893 2.145 16.894 506 HZ1 LYS 60 3HZ LYS 60 -0.381 3.971 17.385 507 HZ2 LYS 60 1HZ LYS 60 0.935 2.912 17.423 508 HZ3 LYS 60 2HZ LYS 60 -0.282 2.788 18.585 509 H ALA 61 H ALA 61 -3.638 -3.025 14.355 510 HA ALA 61 HA ALA 61 -5.890 -1.312 15.105 511 HB1 ALA 61 3HB ALA 61 -6.239 -1.625 12.671 512 HB2 ALA 61 1HB ALA 61 -7.479 -2.468 13.601 513 HB3 ALA 61 2HB ALA 61 -6.148 -3.375 12.877 514 H ASP 62 H ASP 62 -7.476 -2.465 16.345 515 HA ASP 62 HA ASP 62 -6.488 -4.514 18.049 516 HB2 ASP 62 2HB ASP 62 -8.164 -2.993 18.913 517 HB3 ASP 62 3HB ASP 62 -9.296 -3.377 17.624 518 H THR 63 H THR 63 -8.833 -4.523 15.407 519 HA THR 63 HA THR 63 -9.061 -7.460 15.466 520 HB THR 63 HB THR 63 -10.708 -5.372 13.970 521 HG1 THR 63 HG1 THR 63 -10.657 -5.762 16.515 522 HG21 THR 63 3HG2 THR 63 -10.851 -7.610 12.915 523 HG22 THR 63 1HG2 THR 63 -12.369 -7.183 13.699 524 HG23 THR 63 2HG2 THR 63 -11.273 -8.329 14.472 525 H GLU 64 H GLU 64 -7.896 -8.597 14.047 526 HA GLU 64 HA GLU 64 -6.168 -7.522 12.120 527 HB2 GLU 64 2HB GLU 64 -5.715 -9.809 11.406 528 HB3 GLU 64 3HB GLU 64 -5.798 -9.727 13.162 529 HG2 GLU 64 2HG GLU 64 -8.008 -10.732 13.165 530 HG3 GLU 64 3HG GLU 64 -8.081 -10.674 11.407 531 H GLU 65 H GLU 65 -9.465 -8.715 11.824 532 HA GLU 65 HA GLU 65 -9.798 -8.874 9.069 533 HB2 GLU 65 2HB GLU 65 -11.537 -9.623 10.619 534 HB3 GLU 65 3HB GLU 65 -11.766 -7.983 11.224 535 HG2 GLU 65 2HG GLU 65 -12.487 -7.330 8.864 536 HG3 GLU 65 3HG GLU 65 -12.472 -9.047 8.468 537 H LYS 66 H LYS 66 -10.195 -6.081 11.214 538 HA LYS 66 HA LYS 66 -11.076 -4.288 9.152 539 HB2 LYS 66 2HB LYS 66 -10.074 -3.637 11.960 540 HB3 LYS 66 3HB LYS 66 -10.988 -2.563 10.900 541 HG2 LYS 66 2HG LYS 66 -12.893 -4.228 10.971 542 HG3 LYS 66 3HG LYS 66 -11.972 -5.137 12.170 543 HD2 LYS 66 2HD LYS 66 -13.586 -3.763 13.338 544 HD3 LYS 66 3HD LYS 66 -11.980 -3.099 13.651 545 HE2 LYS 66 2HE LYS 66 -12.362 -1.362 11.940 546 HE3 LYS 66 3HE LYS 66 -13.951 -2.045 11.593 547 HZ1 LYS 66 3HZ LYS 66 -13.099 -0.822 14.162 548 HZ2 LYS 66 1HZ LYS 66 -14.610 -1.531 13.870 549 HZ3 LYS 66 2HZ LYS 66 -14.146 -0.149 13.020 550 H ALA 67 H ALA 67 -7.984 -5.015 10.707 551 HA ALA 67 HA ALA 67 -6.402 -3.028 9.472 552 HB1 ALA 67 3HB ALA 67 -5.662 -4.367 11.398 553 HB2 ALA 67 1HB ALA 67 -4.507 -4.473 10.069 554 HB3 ALA 67 2HB ALA 67 -5.614 -5.812 10.390 555 H LYS 68 H LYS 68 -7.382 -6.290 8.421 556 HA LYS 68 HA LYS 68 -5.843 -6.391 6.026 557 HB2 LYS 68 2HB LYS 68 -8.316 -7.916 6.931 558 HB3 LYS 68 3HB LYS 68 -7.549 -8.224 5.377 559 HG2 LYS 68 2HG LYS 68 -6.207 -8.524 8.080 560 HG3 LYS 68 3HG LYS 68 -6.879 -9.842 7.117 561 HD2 LYS 68 2HD LYS 68 -5.240 -9.417 5.340 562 HD3 LYS 68 3HD LYS 68 -4.608 -8.026 6.228 563 HE2 LYS 68 2HE LYS 68 -3.833 -9.478 8.031 564 HE3 LYS 68 3HE LYS 68 -4.553 -10.888 7.247 565 HZ1 LYS 68 3HZ LYS 68 -3.027 -10.615 5.404 566 HZ2 LYS 68 1HZ LYS 68 -2.167 -10.739 6.851 567 HZ3 LYS 68 2HZ LYS 68 -2.357 -9.236 6.107 568 H SER 69 H SER 69 -9.024 -5.100 6.781 569 HA SER 69 HA SER 69 -9.950 -4.632 4.143 570 HB2 SER 69 2HB SER 69 -11.415 -4.534 6.162 571 HB3 SER 69 3HB SER 69 -10.584 -3.072 6.691 572 HG SER 69 HG SER 69 -11.822 -1.972 5.402 573 H ILE 70 H ILE 70 -8.032 -2.703 6.412 574 HA ILE 70 HA ILE 70 -7.734 -0.336 4.907 575 HB ILE 70 HB ILE 70 -5.902 -1.584 7.014 576 HG12 ILE 70 2HG1 ILE 70 -7.934 0.686 7.295 577 HG13 ILE 70 3HG1 ILE 70 -8.269 -0.988 7.720 578 HG21 ILE 70 1HG2 ILE 70 -4.890 0.659 7.278 579 HG22 ILE 70 2HG2 ILE 70 -5.837 1.247 5.909 580 HG23 ILE 70 3HG2 ILE 70 -4.611 0.004 5.662 581 HD11 ILE 70 3HD1 ILE 70 -7.756 0.324 9.673 582 HD12 ILE 70 1HD1 ILE 70 -6.190 0.775 8.997 583 HD13 ILE 70 2HD1 ILE 70 -6.522 -0.908 9.417 584 H ILE 71 H ILE 71 -5.647 -3.236 5.139 585 HA ILE 71 HA ILE 71 -3.628 -2.401 3.335 586 HB ILE 71 HB ILE 71 -4.468 -5.241 4.100 587 HG12 ILE 71 2HG1 ILE 71 -2.268 -3.470 5.276 588 HG13 ILE 71 3HG1 ILE 71 -3.824 -3.782 6.035 589 HG21 ILE 71 1HG2 ILE 71 -1.855 -4.293 2.847 590 HG22 ILE 71 2HG2 ILE 71 -3.096 -5.264 2.050 591 HG23 ILE 71 3HG2 ILE 71 -2.192 -5.934 3.408 592 HD11 ILE 71 3HD1 ILE 71 -2.088 -5.124 7.028 593 HD12 ILE 71 1HD1 ILE 71 -1.700 -5.837 5.461 594 HD13 ILE 71 2HD1 ILE 71 -3.269 -6.148 6.213 595 H LYS 72 H LYS 72 -6.670 -4.183 2.873 596 HA LYS 72 HA LYS 72 -6.400 -4.944 0.182 597 HB2 LYS 72 2HB LYS 72 -8.177 -5.846 1.641 598 HB3 LYS 72 3HB LYS 72 -8.926 -4.256 1.756 599 HG2 LYS 72 2HG LYS 72 -9.365 -4.334 -0.715 600 HG3 LYS 72 3HG LYS 72 -8.703 -5.971 -0.743 601 HD2 LYS 72 2HD LYS 72 -11.143 -6.086 -0.669 602 HD3 LYS 72 3HD LYS 72 -10.487 -6.700 0.850 603 HE2 LYS 72 2HE LYS 72 -10.938 -4.432 1.873 604 HE3 LYS 72 3HE LYS 72 -11.748 -3.975 0.370 605 HZ1 LYS 72 3HZ LYS 72 -13.345 -4.744 2.002 606 HZ2 LYS 72 1HZ LYS 72 -12.541 -6.226 2.156 607 HZ3 LYS 72 2HZ LYS 72 -13.299 -5.816 0.702 608 H LEU 73 H LEU 73 -7.807 -1.989 1.641 609 HA LEU 73 HA LEU 73 -8.610 -0.664 -0.714 610 HB2 LEU 73 2HB LEU 73 -8.022 0.185 2.104 611 HB3 LEU 73 3HB LEU 73 -7.955 1.462 0.907 612 HG LEU 73 HG LEU 73 -10.312 0.971 0.254 613 HD11 LEU 73 1HD1 LEU 73 -10.328 -0.982 2.560 614 HD12 LEU 73 2HD1 LEU 73 -10.448 -1.392 0.847 615 HD13 LEU 73 3HD1 LEU 73 -11.729 -0.463 1.620 616 HD21 LEU 73 3HD2 LEU 73 -11.359 1.930 2.276 617 HD22 LEU 73 1HD2 LEU 73 -9.836 2.731 1.888 618 HD23 LEU 73 2HD2 LEU 73 -9.906 1.559 3.207 619 H ILE 74 H ILE 74 -5.560 -0.471 1.098 620 HA ILE 74 HA ILE 74 -4.136 1.333 -0.457 621 HB ILE 74 HB ILE 74 -3.168 -1.056 1.183 622 HG12 ILE 74 2HG1 ILE 74 -3.162 1.942 1.812 623 HG13 ILE 74 3HG1 ILE 74 -4.354 0.795 2.407 624 HG21 ILE 74 1HG2 ILE 74 -1.443 1.142 -0.014 625 HG22 ILE 74 2HG2 ILE 74 -1.410 -0.565 -0.452 626 HG23 ILE 74 3HG2 ILE 74 -0.897 -0.058 1.156 627 HD11 ILE 74 3HD1 ILE 74 -2.764 1.291 4.122 628 HD12 ILE 74 1HD1 ILE 74 -1.420 0.837 3.075 629 HD13 ILE 74 2HD1 ILE 74 -2.568 -0.388 3.620 630 H GLU 75 H GLU 75 -4.205 -2.230 -0.763 631 HA GLU 75 HA GLU 75 -2.446 -2.546 -2.913 632 HB2 GLU 75 2HB GLU 75 -4.784 -4.266 -2.007 633 HB3 GLU 75 3HB GLU 75 -3.635 -4.781 -3.240 634 HG2 GLU 75 2HG GLU 75 -1.804 -4.670 -1.595 635 HG3 GLU 75 3HG GLU 75 -2.936 -4.103 -0.368 636 H GLU 76 H GLU 76 -6.004 -2.302 -2.961 637 HA GLU 76 HA GLU 76 -6.293 -2.753 -5.759 638 HB2 GLU 76 2HB GLU 76 -8.241 -1.512 -3.777 639 HB3 GLU 76 3HB GLU 76 -8.660 -2.055 -5.397 640 HG2 GLU 76 2HG GLU 76 -7.740 -3.765 -3.080 641 HG3 GLU 76 3HG GLU 76 -9.359 -3.699 -3.763 642 H ARG 77 H ARG 77 -6.178 0.198 -3.795 643 HA ARG 77 HA ARG 77 -6.925 2.005 -5.882 644 HB2 ARG 77 2HB ARG 77 -5.497 2.489 -3.241 645 HB3 ARG 77 3HB ARG 77 -6.052 3.777 -4.301 646 HG2 ARG 77 2HG ARG 77 -7.902 1.730 -3.050 647 HG3 ARG 77 3HG ARG 77 -7.505 3.275 -2.305 648 HD2 ARG 77 2HD ARG 77 -8.480 4.451 -4.261 649 HD3 ARG 77 3HD ARG 77 -8.924 2.891 -4.965 650 HE ARG 77 HE ARG 77 -10.142 4.206 -2.643 651 HH11 ARG 77 1HH1 ARG 77 -10.037 1.364 -4.711 652 HH12 ARG 77 2HH1 ARG 77 -11.563 0.752 -4.161 653 HH21 ARG 77 1HH2 ARG 77 -12.117 3.360 -1.867 654 HH22 ARG 77 2HH2 ARG 77 -12.743 1.892 -2.547 655 H ILE 78 H ILE 78 -3.748 1.103 -4.431 656 HA ILE 78 HA ILE 78 -2.224 2.901 -6.044 657 HB ILE 78 HB ILE 78 -0.195 1.760 -5.312 658 HG12 ILE 78 2HG1 ILE 78 -1.989 -0.399 -4.097 659 HG13 ILE 78 3HG1 ILE 78 -0.968 -0.598 -5.511 660 HG21 ILE 78 1HG2 ILE 78 -0.412 1.997 -2.863 661 HG22 ILE 78 2HG2 ILE 78 -2.170 2.009 -3.012 662 HG23 ILE 78 3HG2 ILE 78 -1.213 3.315 -3.715 663 HD11 ILE 78 3HD1 ILE 78 0.048 -1.609 -3.584 664 HD12 ILE 78 1HD1 ILE 78 -0.021 -0.086 -2.696 665 HD13 ILE 78 2HD1 ILE 78 1.018 -0.237 -4.117 666 H GLU 79 H GLU 79 -3.259 -0.450 -6.444 667 HA GLU 79 HA GLU 79 -1.719 -1.117 -8.721 668 HB2 GLU 79 2HB GLU 79 -2.831 -2.790 -7.308 669 HB3 GLU 79 3HB GLU 79 -4.413 -2.198 -7.777 670 HG2 GLU 79 2HG GLU 79 -2.534 -3.252 -9.900 671 HG3 GLU 79 3HG GLU 79 -3.389 -4.392 -8.868 672 H GLU 80 H GLU 80 -4.983 0.262 -8.368 673 HA GLU 80 HA GLU 80 -5.759 0.306 -11.065 674 HB2 GLU 80 2HB GLU 80 -7.395 0.624 -9.311 675 HB3 GLU 80 3HB GLU 80 -6.556 2.036 -8.686 676 HG2 GLU 80 2HG GLU 80 -8.637 2.632 -9.861 677 HG3 GLU 80 3HG GLU 80 -7.219 3.349 -10.626 678 H GLU 81 H GLU 81 -4.023 2.724 -9.125 679 HA GLU 81 HA GLU 81 -3.919 4.703 -11.226 680 HB2 GLU 81 2HB GLU 81 -2.492 4.566 -8.542 681 HB3 GLU 81 3HB GLU 81 -2.536 5.978 -9.593 682 HG2 GLU 81 2HG GLU 81 -4.937 4.680 -8.279 683 HG3 GLU 81 3HG GLU 81 -4.135 6.149 -7.728 684 H LEU 82 H LEU 82 -1.713 2.241 -9.979 685 HA LEU 82 HA LEU 82 0.638 3.245 -11.308 686 HB2 LEU 82 2HB LEU 82 0.289 1.555 -9.208 687 HB3 LEU 82 3HB LEU 82 0.501 0.353 -10.462 688 HG LEU 82 HG LEU 82 2.506 2.502 -9.641 689 HD11 LEU 82 1HD1 LEU 82 3.858 0.626 -8.840 690 HD12 LEU 82 2HD1 LEU 82 2.582 -0.508 -9.288 691 HD13 LEU 82 3HD1 LEU 82 2.298 0.692 -8.024 692 HD21 LEU 82 3HD2 LEU 82 2.828 0.383 -11.792 693 HD22 LEU 82 1HD2 LEU 82 4.109 1.433 -11.180 694 HD23 LEU 82 2HD2 LEU 82 2.740 2.128 -12.041 695 H ARG 83 H ARG 83 -1.925 0.955 -12.013 696 HA ARG 83 HA ARG 83 -0.756 -0.533 -14.114 697 HB2 ARG 83 2HB ARG 83 -2.836 -1.167 -12.851 698 HB3 ARG 83 3HB ARG 83 -3.717 0.089 -13.713 699 HG2 ARG 83 2HG ARG 83 -3.159 -1.113 -15.872 700 HG3 ARG 83 3HG ARG 83 -2.454 -2.408 -14.900 701 HD2 ARG 83 2HD ARG 83 -4.677 -3.087 -15.495 702 HD3 ARG 83 3HD ARG 83 -4.705 -2.687 -13.778 703 HE ARG 83 HE ARG 83 -5.879 -1.113 -15.982 704 HH11 ARG 83 1HH1 ARG 83 -5.611 -1.675 -12.513 705 HH12 ARG 83 2HH1 ARG 83 -6.941 -0.620 -12.128 706 HH21 ARG 83 1HH2 ARG 83 -7.588 0.290 -15.445 707 HH22 ARG 83 2HH2 ARG 83 -8.051 0.492 -13.785 708 H LYS 84 H LYS 84 -2.252 2.599 -14.044 709 HA LYS 84 HA LYS 84 -2.807 3.027 -16.788 710 HB2 LYS 84 2HB LYS 84 -2.002 5.089 -14.686 711 HB3 LYS 84 3HB LYS 84 -2.918 5.401 -16.165 712 HG2 LYS 84 2HG LYS 84 -4.777 4.027 -15.308 713 HG3 LYS 84 3HG LYS 84 -3.856 3.690 -13.837 714 HD2 LYS 84 2HD LYS 84 -3.883 6.124 -13.287 715 HD3 LYS 84 3HD LYS 84 -4.852 6.426 -14.738 716 HE2 LYS 84 2HE LYS 84 -5.648 4.787 -12.311 717 HE3 LYS 84 3HE LYS 84 -6.330 6.331 -12.826 718 HZ1 LYS 84 3HZ LYS 84 -6.551 3.739 -14.253 719 HZ2 LYS 84 1HZ LYS 84 -7.125 5.213 -14.847 720 HZ3 LYS 84 2HZ LYS 84 -7.785 4.551 -13.441 721 H ARG 85 H ARG 85 0.077 3.507 -14.820 722 HA ARG 85 HA ARG 85 1.653 4.639 -17.023 723 HB2 ARG 85 2HB ARG 85 1.995 4.406 -14.024 724 HB3 ARG 85 3HB ARG 85 3.430 4.629 -15.013 725 HG2 ARG 85 2HG ARG 85 1.048 6.521 -14.977 726 HG3 ARG 85 3HG ARG 85 2.560 6.749 -14.093 727 HD2 ARG 85 2HD ARG 85 2.183 6.713 -17.103 728 HD3 ARG 85 3HD ARG 85 2.690 8.073 -16.089 729 HE ARG 85 HE ARG 85 4.592 6.300 -15.540 730 HH11 ARG 85 1HH1 ARG 85 3.370 7.339 -18.679 731 HH12 ARG 85 2HH1 ARG 85 4.872 7.016 -19.490 732 HH21 ARG 85 1HH2 ARG 85 6.500 5.764 -16.638 733 HH22 ARG 85 2HH2 ARG 85 6.632 6.127 -18.333 734 H ASP 86 H ASP 86 1.308 1.655 -15.274 735 HA ASP 86 HA ASP 86 3.291 0.329 -16.995 736 HB2 ASP 86 2HB ASP 86 3.189 0.205 -13.948 737 HB3 ASP 86 3HB ASP 86 3.845 -1.133 -14.882 738 HA PRO 87 HA PRO 87 -0.709 -1.964 -17.278 739 HB2 PRO 87 2HB PRO 87 -0.130 -3.273 -19.637 740 HB3 PRO 87 3HB PRO 87 -0.704 -1.594 -19.572 741 HG2 PRO 87 2HG PRO 87 2.109 -2.602 -19.854 742 HG3 PRO 87 3HG PRO 87 1.283 -1.309 -20.756 743 HD2 PRO 87 2HD PRO 87 2.963 -0.750 -18.714 744 HD3 PRO 87 3HD PRO 87 1.514 0.236 -19.017 745 H ASN 88 H ASN 88 2.558 -3.079 -17.074 746 HA ASN 88 HA ASN 88 1.688 -5.800 -16.266 747 HB2 ASN 88 2HB ASN 88 4.387 -4.887 -17.362 748 HB3 ASN 88 3HB ASN 88 4.009 -6.519 -16.810 749 HD21 ASN 88 1HD2 ASN 88 2.579 -7.812 -18.058 750 HD22 ASN 88 2HD2 ASN 88 2.213 -7.442 -19.707 751 H ALA 89 H ALA 89 1.887 -3.173 -14.696 752 HA ALA 89 HA ALA 89 3.871 -3.404 -12.702 753 HB1 ALA 89 3HB ALA 89 1.045 -2.298 -12.443 754 HB2 ALA 89 1HB ALA 89 2.477 -1.385 -12.917 755 HB3 ALA 89 2HB ALA 89 2.357 -2.043 -11.288 756 H THR 90 H THR 90 4.172 -5.036 -11.280 757 HA THR 90 HA THR 90 1.902 -6.796 -10.545 758 HB THR 90 HB THR 90 4.772 -7.660 -11.160 759 HG1 THR 90 HG1 THR 90 3.101 -7.011 -12.917 760 HG21 THR 90 3HG2 THR 90 3.859 -9.963 -11.041 761 HG22 THR 90 1HG2 THR 90 2.291 -9.318 -10.541 762 HG23 THR 90 2HG2 THR 90 3.702 -9.129 -9.496 763 H ILE 91 H ILE 91 1.797 -7.302 -8.393 764 HA ILE 91 HA ILE 91 3.888 -6.237 -6.592 765 HB ILE 91 HB ILE 91 2.171 -5.472 -4.994 766 HG12 ILE 91 2HG1 ILE 91 0.260 -6.967 -5.789 767 HG13 ILE 91 3HG1 ILE 91 -0.190 -5.306 -5.442 768 HG21 ILE 91 1HG2 ILE 91 1.443 -3.425 -6.204 769 HG22 ILE 91 2HG2 ILE 91 1.918 -4.176 -7.730 770 HG23 ILE 91 3HG2 ILE 91 3.136 -3.828 -6.503 771 HD11 ILE 91 3HD1 ILE 91 -0.249 -4.807 -7.824 772 HD12 ILE 91 1HD1 ILE 91 -1.305 -6.162 -7.429 773 HD13 ILE 91 2HD1 ILE 91 0.253 -6.455 -8.199 774 H THR 92 H THR 92 4.639 -7.694 -5.229 775 HA THR 92 HA THR 92 3.304 -10.316 -4.984 776 HB THR 92 HB THR 92 6.195 -9.488 -4.416 777 HG1 THR 92 HG1 THR 92 5.437 -11.311 -6.428 778 HG21 THR 92 3HG2 THR 92 5.505 -11.369 -2.959 779 HG22 THR 92 1HG2 THR 92 6.670 -11.891 -4.173 780 HG23 THR 92 2HG2 THR 92 4.958 -12.274 -4.376 781 H ARG 93 H ARG 93 1.985 -10.331 -3.242 782 HA ARG 93 HA ARG 93 2.506 -8.874 -0.798 783 HB2 ARG 93 2HB ARG 93 0.169 -9.332 -1.544 784 HB3 ARG 93 3HB ARG 93 0.451 -11.064 -1.381 785 HG2 ARG 93 2HG ARG 93 1.060 -10.396 1.138 786 HG3 ARG 93 3HG ARG 93 0.071 -8.982 0.766 787 HD2 ARG 93 2HD ARG 93 -1.264 -10.757 1.834 788 HD3 ARG 93 3HD ARG 93 -1.824 -10.455 0.189 789 HE ARG 93 HE ARG 93 -1.221 -12.592 -0.396 790 HH11 ARG 93 1HH1 ARG 93 0.334 -11.910 2.711 791 HH12 ARG 93 2HH1 ARG 93 0.864 -13.545 2.934 792 HH21 ARG 93 1HH2 ARG 93 -0.518 -14.724 -0.060 793 HH22 ARG 93 2HH2 ARG 93 0.382 -15.131 1.370 794 H THR 94 H THR 94 4.344 -9.601 0.251 795 HA THR 94 HA THR 94 4.253 -12.391 1.264 796 HB THR 94 HB THR 94 6.603 -10.420 1.203 797 HG1 THR 94 HG1 THR 94 6.252 -11.361 -0.820 798 HG21 THR 94 3HG2 THR 94 6.694 -11.843 3.211 799 HG22 THR 94 1HG2 THR 94 7.962 -12.282 2.067 800 HG23 THR 94 2HG2 THR 94 6.518 -13.289 2.213 801 H VAL 95 H VAL 95 3.334 -12.477 3.231 802 HA VAL 95 HA VAL 95 2.838 -10.137 4.823 803 HB VAL 95 HB VAL 95 1.192 -11.961 4.823 804 HG11 VAL 95 1HG1 VAL 95 3.297 -13.696 6.146 805 HG12 VAL 95 2HG1 VAL 95 2.676 -13.877 4.506 806 HG13 VAL 95 3HG1 VAL 95 1.607 -14.140 5.885 807 HG21 VAL 95 3HG2 VAL 95 0.808 -12.159 7.274 808 HG22 VAL 95 1HG2 VAL 95 1.295 -10.523 6.825 809 HG23 VAL 95 2HG2 VAL 95 2.459 -11.612 7.578 810 H ARG 96 H ARG 96 4.003 -9.381 6.522 811 HA ARG 96 HA ARG 96 6.593 -10.697 7.154 812 HB2 ARG 96 2HB ARG 96 6.514 -8.379 5.982 813 HB3 ARG 96 3HB ARG 96 5.905 -7.745 7.505 814 HG2 ARG 96 2HG ARG 96 8.299 -7.336 7.324 815 HG3 ARG 96 3HG ARG 96 7.972 -8.463 8.640 816 HD2 ARG 96 2HD ARG 96 8.541 -10.349 7.008 817 HD3 ARG 96 3HD ARG 96 9.112 -9.099 5.896 818 HE ARG 96 HE ARG 96 10.377 -8.711 8.365 819 HH11 ARG 96 1HH1 ARG 96 10.324 -11.108 5.777 820 HH12 ARG 96 2HH1 ARG 96 11.951 -11.643 6.067 821 HH21 ARG 96 1HH2 ARG 96 12.512 -9.421 8.749 822 HH22 ARG 96 2HH2 ARG 96 13.205 -10.674 7.768 823 H THR 97 H THR 97 3.604 -10.496 8.430 824 HA THR 97 HA THR 97 4.260 -9.890 11.190 825 HB THR 97 HB THR 97 1.663 -11.060 10.083 826 HG1 THR 97 HG1 THR 97 2.210 -9.053 9.108 827 HG21 THR 97 3HG2 THR 97 0.642 -10.092 12.113 828 HG22 THR 97 1HG2 THR 97 2.216 -9.484 12.639 829 HG23 THR 97 2HG2 THR 97 1.917 -11.222 12.567 830 H GLU 98 H GLU 98 5.806 -11.425 11.735 831 HA GLU 98 HA GLU 98 4.815 -14.166 12.215 832 HB2 GLU 98 2HB GLU 98 6.244 -14.149 10.114 833 HB3 GLU 98 3HB GLU 98 7.598 -13.580 11.088 834 HG2 GLU 98 2HG GLU 98 7.566 -15.634 12.404 835 HG3 GLU 98 3HG GLU 98 6.148 -16.218 11.536 836 H VAL 99 H VAL 99 4.456 -13.053 14.247 837 HA VAL 99 HA VAL 99 6.842 -12.349 15.826 838 HB VAL 99 HB VAL 99 3.891 -11.781 16.421 839 HG11 VAL 99 1HG1 VAL 99 4.738 -10.240 18.149 840 HG12 VAL 99 2HG1 VAL 99 6.396 -10.743 17.804 841 HG13 VAL 99 3HG1 VAL 99 5.239 -11.901 18.464 842 HG21 VAL 99 3HG2 VAL 99 4.643 -10.556 14.423 843 HG22 VAL 99 1HG2 VAL 99 6.019 -9.898 15.315 844 HG23 VAL 99 2HG2 VAL 99 4.372 -9.448 15.766 845 H GLY 100 H GLY 100 7.590 -14.299 16.532 846 HA2 GLY 100 2HA GLY 100 5.953 -16.293 17.827 847 HA3 GLY 100 3HA GLY 100 7.711 -16.248 17.776 848 H SER 101 H SER 101 7.347 -13.317 18.801 849 HA SER 101 HA SER 101 7.661 -13.860 21.600 850 HB2 SER 101 2HB SER 101 8.924 -12.043 20.462 851 HB3 SER 101 3HB SER 101 7.415 -11.193 20.130 852 HG SER 101 HG SER 101 8.907 -11.305 22.444 853 H SER 102 H SER 102 5.710 -14.838 22.178 854 HA SER 102 HA SER 102 3.385 -13.035 22.539 855 HB2 SER 102 2HB SER 102 1.983 -15.134 22.358 856 HB3 SER 102 3HB SER 102 2.829 -14.715 20.869 857 HG SER 102 HG SER 102 2.929 -16.987 21.527 858 H TRP 103 H TRP 103 5.847 -14.007 24.193 859 HA TRP 103 HA TRP 103 4.958 -15.494 26.406 860 HB2 TRP 103 2HB TRP 103 7.327 -15.279 25.902 861 HB3 TRP 103 3HB TRP 103 7.271 -13.535 26.068 862 HD1 TRP 103 HD1 TRP 103 5.738 -15.744 28.860 863 HE1 TRP 103 HE1 TRP 103 7.220 -15.569 30.948 864 HE3 TRP 103 HE3 TRP 103 9.658 -13.075 26.892 865 HZ2 TRP 103 HZ2 TRP 103 9.705 -14.477 31.679 866 HZ3 TRP 103 HZ3 TRP 103 11.553 -12.514 28.365 867 HH2 TRP 103 HH2 TRP 103 11.576 -13.200 30.712 868 H SER 104 H SER 104 3.767 -14.955 28.091 869 HA SER 104 HA SER 104 2.975 -12.165 28.594 870 HB2 SER 104 2HB SER 104 1.803 -14.785 29.638 871 HB3 SER 104 3HB SER 104 1.158 -13.171 29.941 872 HG SER 104 HG SER 104 1.552 -13.989 27.283 873 H LEU 105 H LEU 105 4.585 -11.290 29.828 874 HA LEU 105 HA LEU 105 6.123 -12.751 31.739 875 HB2 LEU 105 2HB LEU 105 6.019 -9.763 31.171 876 HB3 LEU 105 3HB LEU 105 7.157 -10.532 32.267 877 HG LEU 105 HG LEU 105 7.924 -11.934 30.229 878 HD11 LEU 105 1HD1 LEU 105 7.626 -10.926 28.019 879 HD12 LEU 105 2HD1 LEU 105 6.487 -9.759 28.701 880 HD13 LEU 105 3HD1 LEU 105 6.105 -11.482 28.713 881 HD21 LEU 105 3HD2 LEU 105 9.285 -10.190 31.255 882 HD22 LEU 105 1HD2 LEU 105 8.498 -8.961 30.261 883 HD23 LEU 105 2HD2 LEU 105 9.500 -10.209 29.507 884 H GLU 106 H GLU 106 6.094 -12.699 33.926 885 HA GLU 106 HA GLU 106 3.998 -11.167 35.347 886 HB2 GLU 106 2HB GLU 106 3.513 -13.114 36.771 887 HB3 GLU 106 3HB GLU 106 3.230 -13.517 35.083 888 HG2 GLU 106 2HG GLU 106 5.367 -14.742 34.998 889 HG3 GLU 106 3HG GLU 106 5.698 -14.309 36.670 890 H HIS 107 H HIS 107 4.503 -10.534 37.454 891 HA HIS 107 HA HIS 107 6.937 -11.267 38.797 892 HB2 HIS 107 2HB HIS 107 7.933 -8.940 38.854 893 HB3 HIS 107 3HB HIS 107 7.995 -9.705 37.273 894 HD1 HIS 107 HD1 HIS 107 5.909 -7.109 39.121 895 HD2 HIS 107 HD2 HIS 107 7.045 -8.134 35.260 896 HE1 HIS 107 HE1 HIS 107 4.985 -5.302 37.643 897 HE2 HIS 107 HE2 HIS 107 5.513 -6.053 35.310 898 H HIS 108 H HIS 108 4.235 -11.447 39.393 899 HA HIS 108 HA HIS 108 3.475 -9.483 41.365 900 HB2 HIS 108 2HB HIS 108 1.735 -10.730 40.194 901 HB3 HIS 108 3HB HIS 108 2.395 -12.267 40.732 902 HD1 HIS 108 HD1 HIS 108 0.332 -9.354 41.938 903 HD2 HIS 108 HD2 HIS 108 1.618 -13.063 43.309 904 HE1 HIS 108 HE1 HIS 108 -0.987 -9.803 44.030 905 HE2 HIS 108 HE2 HIS 108 -0.127 -12.001 44.882 906 H HIS 109 H HIS 109 5.094 -9.309 42.888 907 HA HIS 109 HA HIS 109 5.107 -11.230 45.013 908 HB2 HIS 109 2HB HIS 109 7.503 -11.734 45.078 909 HB3 HIS 109 3HB HIS 109 6.859 -12.236 43.519 910 HD1 HIS 109 HD1 HIS 109 9.380 -10.034 45.071 911 HD2 HIS 109 HD2 HIS 109 7.697 -10.545 41.310 912 HE1 HIS 109 HE1 HIS 109 10.887 -8.807 43.489 913 HE2 HIS 109 HE2 HIS 109 9.961 -9.321 41.217 914 H HIS 110 H HIS 110 5.821 -10.354 46.944 915 HA HIS 110 HA HIS 110 6.929 -7.592 46.910 916 HB2 HIS 110 2HB HIS 110 4.995 -8.851 48.916 917 HB3 HIS 110 3HB HIS 110 5.885 -7.370 49.248 918 HD1 HIS 110 HD1 HIS 110 2.657 -8.309 48.347 919 HD2 HIS 110 HD2 HIS 110 5.277 -5.444 46.866 920 HE1 HIS 110 HE1 HIS 110 1.214 -6.589 47.217 921 HE2 HIS 110 HE2 HIS 110 2.809 -4.769 46.551 922 H HIS 111 H HIS 111 6.541 -10.053 49.432 923 HA HIS 111 HA HIS 111 9.079 -11.159 49.583 924 HB2 HIS 111 2HB HIS 111 9.859 -8.807 50.098 925 HB3 HIS 111 3HB HIS 111 8.795 -8.774 51.494 926 HD1 HIS 111 HD1 HIS 111 9.520 -10.230 53.571 927 HD2 HIS 111 HD2 HIS 111 12.278 -10.152 50.458 928 HE1 HIS 111 HE1 HIS 111 11.655 -11.109 54.544 929 HE2 HIS 111 HE2 HIS 111 13.344 -10.875 52.704 930 H HIS 112 H HIS 112 9.245 -12.575 51.467 931 HA HIS 112 HA HIS 112 6.990 -12.547 53.371 932 HB2 HIS 112 2HB HIS 112 7.037 -15.137 53.243 933 HB3 HIS 112 3HB HIS 112 6.271 -14.274 51.918 934 HD1 HIS 112 HD1 HIS 112 9.365 -16.293 52.710 935 HD2 HIS 112 HD2 HIS 112 7.426 -14.647 49.430 936 HE1 HIS 112 HE1 HIS 112 10.537 -17.228 50.693 937 HE2 HIS 112 HE2 HIS 112 9.257 -16.328 48.728 Start of MODEL 13 1 H1 MET 1 1H MET 1 -5.151 -2.098 21.227 2 H2 MET 1 2H MET 1 -3.594 -2.712 21.476 3 H3 MET 1 3H MET 1 -4.913 -3.759 21.434 4 HA MET 1 HA MET 1 -5.293 -3.347 19.138 5 HB2 MET 1 2HB MET 1 -2.946 -1.408 19.375 6 HB3 MET 1 3HB MET 1 -3.630 -1.936 17.844 7 HG2 MET 1 2HG MET 1 -5.788 -0.903 18.492 8 HG3 MET 1 3HG MET 1 -5.017 -0.295 19.963 9 HE1 MET 1 3HE MET 1 -5.343 2.913 17.662 10 HE2 MET 1 1HE MET 1 -5.764 2.225 19.234 11 HE3 MET 1 2HE MET 1 -6.487 1.577 17.755 12 H LEU 2 H LEU 2 -4.118 -4.407 17.427 13 HA LEU 2 HA LEU 2 -1.490 -5.573 18.112 14 HB2 LEU 2 2HB LEU 2 -2.035 -7.310 16.326 15 HB3 LEU 2 3HB LEU 2 -2.943 -7.413 17.818 16 HG LEU 2 HG LEU 2 -4.864 -6.221 16.593 17 HD11 LEU 2 1HD1 LEU 2 -3.300 -6.982 14.107 18 HD12 LEU 2 2HD1 LEU 2 -3.684 -5.344 14.642 19 HD13 LEU 2 3HD1 LEU 2 -4.979 -6.429 14.151 20 HD21 LEU 2 3HD2 LEU 2 -4.079 -8.996 15.657 21 HD22 LEU 2 1HD2 LEU 2 -5.701 -8.297 15.596 22 HD23 LEU 2 2HD2 LEU 2 -4.932 -8.600 17.151 23 H THR 3 H THR 3 0.026 -5.666 16.289 24 HA THR 3 HA THR 3 -0.420 -3.521 14.285 25 HB THR 3 HB THR 3 2.299 -4.314 15.445 26 HG1 THR 3 HG1 THR 3 0.515 -3.159 16.842 27 HG21 THR 3 3HG2 THR 3 2.376 -3.191 13.249 28 HG22 THR 3 1HG2 THR 3 3.028 -2.158 14.518 29 HG23 THR 3 2HG2 THR 3 1.407 -1.860 13.886 30 H VAL 4 H VAL 4 -0.772 -4.511 12.378 31 HA VAL 4 HA VAL 4 0.613 -7.037 11.716 32 HB VAL 4 HB VAL 4 -1.863 -7.025 11.470 33 HG11 VAL 4 1HG1 VAL 4 -2.967 -5.784 9.652 34 HG12 VAL 4 2HG1 VAL 4 -1.450 -4.951 9.298 35 HG13 VAL 4 3HG1 VAL 4 -2.252 -4.703 10.850 36 HG21 VAL 4 3HG2 VAL 4 -0.390 -7.358 8.822 37 HG22 VAL 4 1HG2 VAL 4 -1.977 -8.031 9.208 38 HG23 VAL 4 2HG2 VAL 4 -0.551 -8.575 10.089 39 H GLU 5 H GLU 5 1.971 -7.187 9.991 40 HA GLU 5 HA GLU 5 2.629 -4.763 8.452 41 HB2 GLU 5 2HB GLU 5 4.614 -6.692 9.749 42 HB3 GLU 5 3HB GLU 5 5.051 -5.391 8.644 43 HG2 GLU 5 2HG GLU 5 4.172 -3.730 10.280 44 HG3 GLU 5 3HG GLU 5 3.773 -5.051 11.374 45 H VAL 6 H VAL 6 3.176 -5.102 6.344 46 HA VAL 6 HA VAL 6 3.368 -7.810 5.252 47 HB VAL 6 HB VAL 6 0.932 -7.342 5.305 48 HG11 VAL 6 1HG1 VAL 6 0.966 -4.907 5.218 49 HG12 VAL 6 2HG1 VAL 6 -0.060 -5.548 3.940 50 HG13 VAL 6 3HG1 VAL 6 1.551 -4.946 3.553 51 HG21 VAL 6 3HG2 VAL 6 1.803 -8.744 3.489 52 HG22 VAL 6 1HG2 VAL 6 2.063 -7.320 2.478 53 HG23 VAL 6 2HG2 VAL 6 0.425 -7.801 2.930 54 H GLU 7 H GLU 7 4.576 -7.901 3.453 55 HA GLU 7 HA GLU 7 5.858 -5.493 2.367 56 HB2 GLU 7 2HB GLU 7 7.259 -7.405 3.144 57 HB3 GLU 7 3HB GLU 7 6.439 -8.484 2.022 58 HG2 GLU 7 2HG GLU 7 7.338 -7.095 0.143 59 HG3 GLU 7 3HG GLU 7 8.271 -6.170 1.319 60 H VAL 8 H VAL 8 4.741 -4.621 0.650 61 HA VAL 8 HA VAL 8 3.549 -6.431 -1.388 62 HB VAL 8 HB VAL 8 3.029 -3.426 -1.002 63 HG11 VAL 8 1HG1 VAL 8 1.658 -5.440 -2.842 64 HG12 VAL 8 2HG1 VAL 8 2.749 -4.142 -3.337 65 HG13 VAL 8 3HG1 VAL 8 1.187 -3.750 -2.623 66 HG21 VAL 8 3HG2 VAL 8 0.808 -4.061 -0.119 67 HG22 VAL 8 1HG2 VAL 8 2.102 -4.716 0.886 68 HG23 VAL 8 2HG2 VAL 8 1.234 -5.773 -0.230 69 H LYS 9 H LYS 9 4.972 -6.774 -3.014 70 HA LYS 9 HA LYS 9 7.167 -4.853 -3.479 71 HB2 LYS 9 2HB LYS 9 7.741 -7.157 -2.787 72 HB3 LYS 9 3HB LYS 9 6.905 -7.813 -4.191 73 HG2 LYS 9 2HG LYS 9 8.557 -7.083 -5.695 74 HG3 LYS 9 3HG LYS 9 9.175 -5.844 -4.598 75 HD2 LYS 9 2HD LYS 9 9.496 -8.855 -4.207 76 HD3 LYS 9 3HD LYS 9 10.740 -7.761 -4.826 77 HE2 LYS 9 2HE LYS 9 10.782 -6.539 -2.727 78 HE3 LYS 9 3HE LYS 9 9.436 -7.492 -2.100 79 HZ1 LYS 9 3HZ LYS 9 11.468 -8.269 -1.181 80 HZ2 LYS 9 1HZ LYS 9 12.168 -8.468 -2.706 81 HZ3 LYS 9 2HZ LYS 9 10.886 -9.462 -2.230 82 H ILE 10 H ILE 10 6.895 -3.532 -5.156 83 HA ILE 10 HA ILE 10 5.057 -4.225 -7.345 84 HB ILE 10 HB ILE 10 6.308 -1.479 -6.804 85 HG12 ILE 10 2HG1 ILE 10 3.822 -0.952 -6.042 86 HG13 ILE 10 3HG1 ILE 10 3.726 -2.669 -5.708 87 HG21 ILE 10 1HG2 ILE 10 5.566 -1.878 -9.122 88 HG22 ILE 10 2HG2 ILE 10 4.560 -0.674 -8.335 89 HG23 ILE 10 3HG2 ILE 10 3.948 -2.313 -8.552 90 HD11 ILE 10 3HD1 ILE 10 5.666 -0.721 -4.457 91 HD12 ILE 10 1HD1 ILE 10 5.597 -2.453 -4.124 92 HD13 ILE 10 2HD1 ILE 10 4.235 -1.417 -3.699 93 H THR 11 H THR 11 6.190 -5.303 -8.898 94 HA THR 11 HA THR 11 8.641 -4.105 -10.003 95 HB THR 11 HB THR 11 8.857 -6.491 -9.807 96 HG1 THR 11 HG1 THR 11 8.722 -7.003 -12.277 97 HG21 THR 11 3HG2 THR 11 6.490 -7.169 -9.669 98 HG22 THR 11 1HG2 THR 11 7.361 -8.138 -10.859 99 HG23 THR 11 2HG2 THR 11 6.290 -6.839 -11.391 100 H ALA 12 H ALA 12 8.147 -2.385 -11.164 101 HA ALA 12 HA ALA 12 5.926 -2.377 -13.132 102 HB1 ALA 12 3HB ALA 12 5.914 0.100 -12.870 103 HB2 ALA 12 1HB ALA 12 7.200 -0.021 -11.662 104 HB3 ALA 12 2HB ALA 12 5.610 -0.706 -11.330 105 H ASP 13 H ASP 13 6.514 -0.558 -14.855 106 HA ASP 13 HA ASP 13 8.830 -1.410 -16.309 107 HB2 ASP 13 2HB ASP 13 6.904 0.910 -16.764 108 HB3 ASP 13 3HB ASP 13 8.156 0.432 -17.906 109 H ASP 14 H ASP 14 8.038 1.348 -14.244 110 HA ASP 14 HA ASP 14 10.922 1.904 -13.982 111 HB2 ASP 14 2HB ASP 14 8.723 3.969 -14.352 112 HB3 ASP 14 3HB ASP 14 10.291 4.375 -13.664 113 H GLU 15 H GLU 15 11.489 1.555 -11.963 114 HA GLU 15 HA GLU 15 9.691 1.207 -9.786 115 HB2 GLU 15 2HB GLU 15 11.631 0.758 -8.408 116 HB3 GLU 15 3HB GLU 15 11.861 -0.010 -9.970 117 HG2 GLU 15 2HG GLU 15 13.155 2.572 -9.063 118 HG3 GLU 15 3HG GLU 15 13.929 0.995 -9.078 119 H ASN 16 H ASN 16 11.610 3.951 -10.871 120 HA ASN 16 HA ASN 16 11.489 5.591 -8.578 121 HB2 ASN 16 2HB ASN 16 12.915 6.042 -10.598 122 HB3 ASN 16 3HB ASN 16 11.474 6.483 -11.504 123 HD21 ASN 16 1HD2 ASN 16 10.408 8.472 -10.965 124 HD22 ASN 16 2HD2 ASN 16 11.205 9.691 -10.038 125 H LYS 17 H LYS 17 9.446 5.486 -11.454 126 HA LYS 17 HA LYS 17 7.429 7.283 -10.687 127 HB2 LYS 17 2HB LYS 17 7.306 4.870 -12.550 128 HB3 LYS 17 3HB LYS 17 6.084 6.136 -12.467 129 HG2 LYS 17 2HG LYS 17 8.974 6.653 -13.208 130 HG3 LYS 17 3HG LYS 17 7.703 6.308 -14.379 131 HD2 LYS 17 2HD LYS 17 6.438 8.312 -13.421 132 HD3 LYS 17 3HD LYS 17 7.916 8.708 -12.533 133 HE2 LYS 17 2HE LYS 17 7.689 9.959 -14.671 134 HE3 LYS 17 3HE LYS 17 9.146 8.961 -14.627 135 HZ1 LYS 17 3HZ LYS 17 8.046 8.730 -16.742 136 HZ2 LYS 17 1HZ LYS 17 6.596 8.287 -15.997 137 HZ3 LYS 17 2HZ LYS 17 7.938 7.269 -15.907 138 H ALA 18 H ALA 18 7.721 3.778 -10.374 139 HA ALA 18 HA ALA 18 5.200 3.114 -9.465 140 HB1 ALA 18 3HB ALA 18 6.199 1.054 -8.610 141 HB2 ALA 18 1HB ALA 18 7.810 1.768 -8.741 142 HB3 ALA 18 2HB ALA 18 6.859 1.469 -10.196 143 H GLU 19 H GLU 19 8.083 3.998 -7.555 144 HA GLU 19 HA GLU 19 6.915 3.724 -4.997 145 HB2 GLU 19 2HB GLU 19 9.359 3.839 -5.292 146 HB3 GLU 19 3HB GLU 19 9.238 5.498 -5.879 147 HG2 GLU 19 2HG GLU 19 8.297 6.162 -3.648 148 HG3 GLU 19 3HG GLU 19 8.578 4.517 -3.083 149 H GLU 20 H GLU 20 7.250 6.544 -7.157 150 HA GLU 20 HA GLU 20 6.341 8.571 -5.441 151 HB2 GLU 20 2HB GLU 20 6.115 8.409 -8.479 152 HB3 GLU 20 3HB GLU 20 5.860 9.873 -7.535 153 HG2 GLU 20 2HG GLU 20 8.196 9.865 -6.818 154 HG3 GLU 20 3HG GLU 20 8.475 8.344 -7.659 155 H ILE 21 H ILE 21 4.544 6.608 -7.784 156 HA ILE 21 HA ILE 21 2.001 7.811 -7.379 157 HB ILE 21 HB ILE 21 2.651 5.062 -8.562 158 HG12 ILE 21 2HG1 ILE 21 2.117 7.711 -10.015 159 HG13 ILE 21 3HG1 ILE 21 3.713 7.005 -9.790 160 HG21 ILE 21 1HG2 ILE 21 0.087 6.696 -8.760 161 HG22 ILE 21 2HG2 ILE 21 0.293 5.191 -7.862 162 HG23 ILE 21 3HG2 ILE 21 0.410 5.189 -9.619 163 HD11 ILE 21 3HD1 ILE 21 2.889 6.591 -12.025 164 HD12 ILE 21 1HD1 ILE 21 1.449 5.802 -11.379 165 HD13 ILE 21 2HD1 ILE 21 3.039 5.072 -11.141 166 H VAL 22 H VAL 22 3.485 4.771 -6.114 167 HA VAL 22 HA VAL 22 1.295 3.818 -4.646 168 HB VAL 22 HB VAL 22 4.290 3.415 -4.152 169 HG11 VAL 22 1HG1 VAL 22 3.150 3.117 -1.987 170 HG12 VAL 22 2HG1 VAL 22 3.706 1.568 -2.610 171 HG13 VAL 22 3HG1 VAL 22 1.995 2.001 -2.721 172 HG21 VAL 22 3HG2 VAL 22 3.863 1.166 -5.066 173 HG22 VAL 22 1HG2 VAL 22 3.349 2.408 -6.206 174 HG23 VAL 22 2HG2 VAL 22 2.147 1.544 -5.247 175 H LYS 23 H LYS 23 3.975 5.908 -3.521 176 HA LYS 23 HA LYS 23 3.243 6.445 -0.904 177 HB2 LYS 23 2HB LYS 23 4.603 8.195 -2.991 178 HB3 LYS 23 3HB LYS 23 4.404 8.726 -1.325 179 HG2 LYS 23 2HG LYS 23 5.793 6.892 -0.524 180 HG3 LYS 23 3HG LYS 23 5.895 6.222 -2.154 181 HD2 LYS 23 2HD LYS 23 7.948 7.485 -1.457 182 HD3 LYS 23 3HD LYS 23 7.206 8.098 -2.935 183 HE2 LYS 23 2HE LYS 23 7.956 9.918 -1.436 184 HE3 LYS 23 3HE LYS 23 6.213 9.961 -1.698 185 HZ1 LYS 23 3HZ LYS 23 7.577 8.856 0.699 186 HZ2 LYS 23 1HZ LYS 23 5.904 8.895 0.453 187 HZ3 LYS 23 2HZ LYS 23 6.770 10.337 0.617 188 H ARG 24 H ARG 24 2.472 8.441 -3.741 189 HA ARG 24 HA ARG 24 0.747 10.318 -2.734 190 HB2 ARG 24 2HB ARG 24 1.419 10.525 -5.010 191 HB3 ARG 24 3HB ARG 24 0.897 8.895 -5.410 192 HG2 ARG 24 2HG ARG 24 -1.509 9.787 -4.952 193 HG3 ARG 24 3HG ARG 24 -0.785 11.384 -5.086 194 HD2 ARG 24 2HD ARG 24 -0.325 11.119 -7.369 195 HD3 ARG 24 3HD ARG 24 -0.346 9.348 -7.274 196 HE ARG 24 HE ARG 24 -2.845 10.810 -6.768 197 HH11 ARG 24 1HH1 ARG 24 -1.036 8.723 -8.964 198 HH12 ARG 24 2HH1 ARG 24 -2.440 8.302 -9.890 199 HH21 ARG 24 1HH2 ARG 24 -4.646 10.196 -7.921 200 HH22 ARG 24 2HH2 ARG 24 -4.502 9.137 -9.288 201 H VAL 25 H VAL 25 -0.045 7.021 -3.748 202 HA VAL 25 HA VAL 25 -2.893 7.485 -3.631 203 HB VAL 25 HB VAL 25 -1.275 5.005 -4.369 204 HG11 VAL 25 1HG1 VAL 25 -3.478 4.317 -3.530 205 HG12 VAL 25 2HG1 VAL 25 -3.372 4.083 -5.271 206 HG13 VAL 25 3HG1 VAL 25 -4.274 5.456 -4.622 207 HG21 VAL 25 3HG2 VAL 25 -2.835 6.960 -6.121 208 HG22 VAL 25 1HG2 VAL 25 -1.906 5.562 -6.675 209 HG23 VAL 25 2HG2 VAL 25 -1.081 6.934 -5.938 210 H ILE 26 H ILE 26 -0.495 5.823 -1.557 211 HA ILE 26 HA ILE 26 -2.474 4.618 0.162 212 HB ILE 26 HB ILE 26 0.377 5.338 1.009 213 HG12 ILE 26 2HG1 ILE 26 -0.551 2.677 -0.167 214 HG13 ILE 26 3HG1 ILE 26 0.328 3.893 -1.079 215 HG21 ILE 26 1HG2 ILE 26 -1.584 3.249 2.076 216 HG22 ILE 26 2HG2 ILE 26 -1.134 4.756 2.878 217 HG23 ILE 26 3HG2 ILE 26 0.068 3.488 2.651 218 HD11 ILE 26 3HD1 ILE 26 1.781 2.124 -0.292 219 HD12 ILE 26 1HD1 ILE 26 1.344 2.484 1.376 220 HD13 ILE 26 2HD1 ILE 26 2.225 3.676 0.414 221 H ASP 27 H ASP 27 -0.867 7.742 -0.016 222 HA ASP 27 HA ASP 27 -1.901 8.902 2.367 223 HB2 ASP 27 2HB ASP 27 -0.144 10.034 1.155 224 HB3 ASP 27 3HB ASP 27 -1.105 10.115 -0.315 225 H GLU 28 H GLU 28 -3.280 8.415 -0.853 226 HA GLU 28 HA GLU 28 -5.751 9.815 -0.340 227 HB2 GLU 28 2HB GLU 28 -5.003 7.865 -2.560 228 HB3 GLU 28 3HB GLU 28 -6.510 8.771 -2.489 229 HG2 GLU 28 2HG GLU 28 -5.104 10.896 -2.524 230 HG3 GLU 28 3HG GLU 28 -3.715 9.866 -2.867 231 H VAL 29 H VAL 29 -4.608 6.500 0.117 232 HA VAL 29 HA VAL 29 -7.192 5.378 0.719 233 HB VAL 29 HB VAL 29 -4.409 4.353 1.509 234 HG11 VAL 29 1HG1 VAL 29 -6.122 3.385 2.975 235 HG12 VAL 29 2HG1 VAL 29 -5.505 2.157 1.873 236 HG13 VAL 29 3HG1 VAL 29 -7.084 2.888 1.579 237 HG21 VAL 29 3HG2 VAL 29 -4.696 4.454 -0.931 238 HG22 VAL 29 1HG2 VAL 29 -6.178 3.507 -0.818 239 HG23 VAL 29 2HG2 VAL 29 -4.629 2.787 -0.376 240 H GLU 30 H GLU 30 -4.554 6.873 2.530 241 HA GLU 30 HA GLU 30 -5.311 6.110 5.132 242 HB2 GLU 30 2HB GLU 30 -3.020 6.845 4.655 243 HB3 GLU 30 3HB GLU 30 -3.582 8.454 4.206 244 HG2 GLU 30 2HG GLU 30 -4.378 8.790 6.549 245 HG3 GLU 30 3HG GLU 30 -3.723 7.208 6.974 246 H ARG 31 H ARG 31 -5.953 9.089 3.243 247 HA ARG 31 HA ARG 31 -7.281 10.551 5.250 248 HB2 ARG 31 2HB ARG 31 -8.312 11.880 3.408 249 HB3 ARG 31 3HB ARG 31 -6.577 11.677 3.224 250 HG2 ARG 31 2HG ARG 31 -6.830 10.133 1.427 251 HG3 ARG 31 3HG ARG 31 -8.550 9.912 1.742 252 HD2 ARG 31 2HD ARG 31 -9.093 12.059 0.839 253 HD3 ARG 31 3HD ARG 31 -7.411 12.591 0.897 254 HE ARG 31 HE ARG 31 -6.949 11.433 -1.047 255 HH11 ARG 31 1HH1 ARG 31 -10.269 10.729 -0.138 256 HH12 ARG 31 2HH1 ARG 31 -10.666 10.048 -1.683 257 HH21 ARG 31 1HH2 ARG 31 -7.489 10.573 -3.071 258 HH22 ARG 31 2HH2 ARG 31 -9.088 9.957 -3.348 259 H GLU 32 H GLU 32 -8.420 7.920 3.267 260 HA GLU 32 HA GLU 32 -11.240 8.274 3.919 261 HB2 GLU 32 2HB GLU 32 -9.820 6.013 2.434 262 HB3 GLU 32 3HB GLU 32 -11.564 6.244 2.526 263 HG2 GLU 32 2HG GLU 32 -9.553 8.029 1.125 264 HG3 GLU 32 3HG GLU 32 -10.783 7.010 0.376 265 H VAL 33 H VAL 33 -8.539 6.206 4.855 266 HA VAL 33 HA VAL 33 -10.047 4.381 6.469 267 HB VAL 33 HB VAL 33 -7.049 4.962 6.358 268 HG11 VAL 33 1HG1 VAL 33 -6.697 2.870 7.611 269 HG12 VAL 33 2HG1 VAL 33 -8.441 2.678 7.814 270 HG13 VAL 33 3HG1 VAL 33 -7.607 4.035 8.573 271 HG21 VAL 33 3HG2 VAL 33 -6.917 2.835 5.112 272 HG22 VAL 33 1HG2 VAL 33 -7.981 3.979 4.292 273 HG23 VAL 33 2HG2 VAL 33 -8.671 2.645 5.220 274 H GLN 34 H GLN 34 -8.441 7.472 7.092 275 HA GLN 34 HA GLN 34 -8.590 7.330 9.951 276 HB2 GLN 34 2HB GLN 34 -8.272 9.740 8.109 277 HB3 GLN 34 3HB GLN 34 -8.130 9.805 9.863 278 HG2 GLN 34 2HG GLN 34 -6.323 8.260 7.980 279 HG3 GLN 34 3HG GLN 34 -5.926 9.762 8.810 280 HE21 GLN 34 1HE2 GLN 34 -4.613 7.107 8.910 281 HE22 GLN 34 2HE2 GLN 34 -4.600 6.650 10.576 282 H LYS 35 H LYS 35 -10.937 7.909 7.537 283 HA LYS 35 HA LYS 35 -12.866 9.242 9.278 284 HB2 LYS 35 2HB LYS 35 -13.215 8.028 6.493 285 HB3 LYS 35 3HB LYS 35 -14.386 9.053 7.322 286 HG2 LYS 35 2HG LYS 35 -12.816 10.953 7.235 287 HG3 LYS 35 3HG LYS 35 -11.604 9.921 6.470 288 HD2 LYS 35 2HD LYS 35 -12.681 11.274 4.762 289 HD3 LYS 35 3HD LYS 35 -13.134 9.586 4.529 290 HE2 LYS 35 2HE LYS 35 -15.291 10.062 5.721 291 HE3 LYS 35 3HE LYS 35 -14.831 11.766 5.789 292 HZ1 LYS 35 3HZ LYS 35 -14.752 11.779 3.356 293 HZ2 LYS 35 1HZ LYS 35 -16.282 11.356 3.931 294 HZ3 LYS 35 2HZ LYS 35 -15.257 10.166 3.319 295 H GLN 36 H GLN 36 -12.236 5.999 7.984 296 HA GLN 36 HA GLN 36 -14.760 4.890 8.959 297 HB2 GLN 36 2HB GLN 36 -12.442 3.534 7.494 298 HB3 GLN 36 3HB GLN 36 -14.033 2.837 7.776 299 HG2 GLN 36 2HG GLN 36 -13.391 5.212 6.006 300 HG3 GLN 36 3HG GLN 36 -13.839 3.589 5.477 301 HE21 GLN 36 1HE2 GLN 36 -16.011 2.898 5.777 302 HE22 GLN 36 2HE2 GLN 36 -17.300 4.024 6.009 303 H TYR 37 H TYR 37 -11.297 4.263 9.388 304 HA TYR 37 HA TYR 37 -11.782 2.840 11.927 305 HB2 TYR 37 2HB TYR 37 -9.304 2.660 10.141 306 HB3 TYR 37 3HB TYR 37 -9.681 1.657 11.538 307 HD1 TYR 37 HD1 TYR 37 -11.405 -0.140 11.361 308 HD2 TYR 37 HD2 TYR 37 -10.337 2.220 7.960 309 HE1 TYR 37 HE1 TYR 37 -12.493 -1.771 9.878 310 HE2 TYR 37 HE2 TYR 37 -11.424 0.588 6.481 311 HH TYR 37 HH TYR 37 -12.061 -1.803 6.521 312 HA PRO 38 HA PRO 38 -9.596 6.643 13.540 313 HB2 PRO 38 2HB PRO 38 -10.939 5.763 16.077 314 HB3 PRO 38 3HB PRO 38 -10.974 7.346 15.271 315 HG2 PRO 38 2HG PRO 38 -13.125 5.768 15.282 316 HG3 PRO 38 3HG PRO 38 -12.723 6.757 13.858 317 HD2 PRO 38 2HD PRO 38 -12.218 3.811 14.314 318 HD3 PRO 38 3HD PRO 38 -12.868 4.636 12.875 319 H ASN 39 H ASN 39 -9.778 3.327 14.398 320 HA ASN 39 HA ASN 39 -7.759 3.132 16.398 321 HB2 ASN 39 2HB ASN 39 -8.772 0.927 14.533 322 HB3 ASN 39 3HB ASN 39 -7.995 0.718 16.106 323 HD21 ASN 39 1HD2 ASN 39 -9.239 1.048 17.977 324 HD22 ASN 39 2HD2 ASN 39 -10.957 1.223 17.948 325 H ALA 40 H ALA 40 -7.608 3.501 12.971 326 HA ALA 40 HA ALA 40 -5.367 1.732 12.518 327 HB1 ALA 40 3HB ALA 40 -6.745 3.667 10.632 328 HB2 ALA 40 1HB ALA 40 -7.169 1.970 10.864 329 HB3 ALA 40 2HB ALA 40 -5.605 2.399 10.174 330 H THR 41 H THR 41 -3.331 2.302 12.906 331 HA THR 41 HA THR 41 -2.336 5.006 12.198 332 HB THR 41 HB THR 41 -1.044 2.906 14.021 333 HG1 THR 41 HG1 THR 41 -3.121 4.455 14.568 334 HG21 THR 41 3HG2 THR 41 0.590 4.486 13.056 335 HG22 THR 41 1HG2 THR 41 0.390 4.770 14.785 336 HG23 THR 41 2HG2 THR 41 -0.377 5.852 13.621 337 H ILE 42 H ILE 42 -1.388 4.914 10.182 338 HA ILE 42 HA ILE 42 -0.448 2.292 9.147 339 HB ILE 42 HB ILE 42 -1.328 4.672 7.429 340 HG12 ILE 42 2HG1 ILE 42 -3.081 2.281 8.206 341 HG13 ILE 42 3HG1 ILE 42 -3.235 3.889 8.907 342 HG21 ILE 42 1HG2 ILE 42 -1.535 2.962 5.645 343 HG22 ILE 42 2HG2 ILE 42 -1.027 1.700 6.770 344 HG23 ILE 42 3HG2 ILE 42 0.098 2.979 6.310 345 HD11 ILE 42 3HD1 ILE 42 -3.630 3.197 6.003 346 HD12 ILE 42 1HD1 ILE 42 -3.804 4.801 6.722 347 HD13 ILE 42 2HD1 ILE 42 -4.896 3.498 7.191 348 H THR 43 H THR 43 1.741 2.246 9.296 349 HA THR 43 HA THR 43 3.396 4.577 8.590 350 HB THR 43 HB THR 43 4.233 1.855 9.708 351 HG1 THR 43 HG1 THR 43 2.966 3.766 10.959 352 HG21 THR 43 3HG2 THR 43 6.087 2.993 8.521 353 HG22 THR 43 1HG2 THR 43 6.367 2.954 10.262 354 HG23 THR 43 2HG2 THR 43 5.820 4.443 9.495 355 H ARG 44 H ARG 44 4.473 4.657 6.682 356 HA ARG 44 HA ARG 44 4.548 2.289 4.900 357 HB2 ARG 44 2HB ARG 44 4.185 5.220 4.079 358 HB3 ARG 44 3HB ARG 44 4.422 3.882 2.961 359 HG2 ARG 44 2HG ARG 44 2.125 4.215 2.876 360 HG3 ARG 44 3HG ARG 44 2.269 2.879 4.017 361 HD2 ARG 44 2HD ARG 44 0.704 4.300 5.010 362 HD3 ARG 44 3HD ARG 44 2.196 4.723 5.851 363 HE ARG 44 HE ARG 44 1.889 6.421 3.628 364 HH11 ARG 44 1HH1 ARG 44 0.391 5.866 6.763 365 HH12 ARG 44 2HH1 ARG 44 -0.185 7.492 6.910 366 HH21 ARG 44 1HH2 ARG 44 1.041 8.554 3.799 367 HH22 ARG 44 2HH2 ARG 44 0.178 9.017 5.237 368 H THR 45 H THR 45 6.499 1.782 4.119 369 HA THR 45 HA THR 45 8.751 3.678 4.169 370 HB THR 45 HB THR 45 8.846 0.841 5.344 371 HG1 THR 45 HG1 THR 45 7.835 2.509 6.672 372 HG21 THR 45 3HG2 THR 45 10.983 1.474 4.253 373 HG22 THR 45 1HG2 THR 45 11.156 1.414 6.006 374 HG23 THR 45 2HG2 THR 45 11.021 2.972 5.191 375 H LEU 46 H LEU 46 9.267 3.765 2.015 376 HA LEU 46 HA LEU 46 9.055 1.290 0.388 377 HB2 LEU 46 2HB LEU 46 8.894 4.184 -0.571 378 HB3 LEU 46 3HB LEU 46 8.857 2.762 -1.598 379 HG LEU 46 HG LEU 46 6.717 2.091 -0.242 380 HD11 LEU 46 1HD1 LEU 46 6.729 5.061 0.379 381 HD12 LEU 46 2HD1 LEU 46 6.869 3.745 1.549 382 HD13 LEU 46 3HD1 LEU 46 5.380 3.948 0.631 383 HD21 LEU 46 3HD2 LEU 46 6.673 2.662 -2.606 384 HD22 LEU 46 1HD2 LEU 46 6.642 4.386 -2.224 385 HD23 LEU 46 2HD2 LEU 46 5.279 3.355 -1.787 386 H THR 47 H THR 47 10.773 0.607 -0.760 387 HA THR 47 HA THR 47 13.175 2.254 -1.065 388 HB THR 47 HB THR 47 13.248 -0.557 0.138 389 HG1 THR 47 HG1 THR 47 13.285 1.984 1.300 390 HG21 THR 47 3HG2 THR 47 15.230 -0.101 -1.279 391 HG22 THR 47 1HG2 THR 47 15.674 -0.178 0.428 392 HG23 THR 47 2HG2 THR 47 15.536 1.386 -0.376 393 H ARG 48 H ARG 48 13.893 2.043 -3.139 394 HA ARG 48 HA ARG 48 12.805 -0.064 -4.855 395 HB2 ARG 48 2HB ARG 48 14.830 2.131 -5.544 396 HB3 ARG 48 3HB ARG 48 14.104 1.014 -6.688 397 HG2 ARG 48 2HG ARG 48 12.880 2.958 -7.047 398 HG3 ARG 48 3HG ARG 48 11.835 2.059 -5.946 399 HD2 ARG 48 2HD ARG 48 12.030 4.481 -5.398 400 HD3 ARG 48 3HD ARG 48 12.550 3.429 -4.075 401 HE ARG 48 HE ARG 48 14.887 3.870 -4.856 402 HH11 ARG 48 1HH1 ARG 48 12.396 6.288 -5.533 403 HH12 ARG 48 2HH1 ARG 48 13.540 7.588 -5.618 404 HH21 ARG 48 1HH2 ARG 48 16.322 5.598 -4.865 405 HH22 ARG 48 2HH2 ARG 48 15.764 7.201 -5.236 406 H ASP 49 H ASP 49 13.667 -1.953 -4.239 407 HA ASP 49 HA ASP 49 16.533 -2.298 -3.741 408 HB2 ASP 49 2HB ASP 49 14.824 -3.247 -2.159 409 HB3 ASP 49 3HB ASP 49 14.212 -4.269 -3.452 410 H ASP 50 H ASP 50 17.605 -2.396 -5.630 411 HA ASP 50 HA ASP 50 18.444 -3.089 -7.594 412 HB2 ASP 50 2HB ASP 50 17.086 -5.697 -6.792 413 HB3 ASP 50 3HB ASP 50 18.198 -5.552 -8.152 414 H GLY 51 H GLY 51 16.270 -1.526 -7.928 415 HA2 GLY 51 2HA GLY 51 15.184 -0.708 -9.796 416 HA3 GLY 51 3HA GLY 51 15.545 -2.201 -10.645 417 H THR 52 H THR 52 14.092 -2.935 -7.711 418 HA THR 52 HA THR 52 11.329 -2.791 -8.767 419 HB THR 52 HB THR 52 12.616 -5.097 -7.216 420 HG1 THR 52 HG1 THR 52 11.946 -4.690 -9.929 421 HG21 THR 52 3HG2 THR 52 10.248 -4.835 -6.541 422 HG22 THR 52 1HG2 THR 52 10.471 -6.290 -7.514 423 HG23 THR 52 2HG2 THR 52 9.759 -4.848 -8.238 424 H VAL 53 H VAL 53 9.798 -2.049 -7.277 425 HA VAL 53 HA VAL 53 10.835 -0.750 -4.884 426 HB VAL 53 HB VAL 53 7.936 -0.834 -5.906 427 HG11 VAL 53 1HG1 VAL 53 8.078 -0.200 -3.521 428 HG12 VAL 53 2HG1 VAL 53 7.587 1.180 -4.503 429 HG13 VAL 53 3HG1 VAL 53 9.245 1.070 -3.906 430 HG21 VAL 53 3HG2 VAL 53 9.403 0.142 -7.594 431 HG22 VAL 53 1HG2 VAL 53 10.088 1.252 -6.404 432 HG23 VAL 53 2HG2 VAL 53 8.391 1.393 -6.873 433 H GLU 54 H GLU 54 10.530 -1.402 -2.850 434 HA GLU 54 HA GLU 54 8.699 -3.639 -2.238 435 HB2 GLU 54 2HB GLU 54 11.121 -4.220 -1.957 436 HB3 GLU 54 3HB GLU 54 11.300 -2.898 -0.805 437 HG2 GLU 54 2HG GLU 54 9.706 -3.973 0.709 438 HG3 GLU 54 3HG GLU 54 9.444 -5.280 -0.443 439 H LEU 55 H LEU 55 6.998 -2.765 -1.381 440 HA LEU 55 HA LEU 55 7.056 -0.331 0.257 441 HB2 LEU 55 2HB LEU 55 5.351 -0.347 -1.441 442 HB3 LEU 55 3HB LEU 55 4.858 -1.984 -1.042 443 HG LEU 55 HG LEU 55 3.958 -1.136 1.141 444 HD11 LEU 55 1HD1 LEU 55 4.531 1.620 0.031 445 HD12 LEU 55 2HD1 LEU 55 5.310 0.866 1.424 446 HD13 LEU 55 3HD1 LEU 55 3.595 1.257 1.483 447 HD21 LEU 55 3HD2 LEU 55 1.924 -0.125 0.180 448 HD22 LEU 55 1HD2 LEU 55 2.468 -1.522 -0.749 449 HD23 LEU 55 2HD2 LEU 55 2.764 0.109 -1.355 450 H ARG 56 H ARG 56 6.992 -0.445 2.406 451 HA ARG 56 HA ARG 56 6.318 -2.988 3.765 452 HB2 ARG 56 2HB ARG 56 7.946 -0.669 4.907 453 HB3 ARG 56 3HB ARG 56 7.713 -2.258 5.621 454 HG2 ARG 56 2HG ARG 56 9.380 -1.551 3.191 455 HG3 ARG 56 3HG ARG 56 9.942 -2.150 4.751 456 HD2 ARG 56 2HD ARG 56 8.385 -3.694 2.652 457 HD3 ARG 56 3HD ARG 56 10.065 -3.936 3.140 458 HE ARG 56 HE ARG 56 7.887 -4.325 5.092 459 HH11 ARG 56 1HH1 ARG 56 10.537 -5.724 3.248 460 HH12 ARG 56 2HH1 ARG 56 10.528 -7.206 4.148 461 HH21 ARG 56 1HH2 ARG 56 7.855 -6.261 6.226 462 HH22 ARG 56 2HH2 ARG 56 8.999 -7.511 5.845 463 H ILE 57 H ILE 57 4.206 -2.835 4.211 464 HA ILE 57 HA ILE 57 3.030 -0.358 5.284 465 HB ILE 57 HB ILE 57 1.790 -2.970 4.303 466 HG12 ILE 57 2HG1 ILE 57 2.523 -1.410 2.530 467 HG13 ILE 57 3HG1 ILE 57 0.772 -1.569 2.550 468 HG21 ILE 57 1HG2 ILE 57 -0.451 -1.980 4.690 469 HG22 ILE 57 2HG2 ILE 57 0.297 -0.611 5.518 470 HG23 ILE 57 3HG2 ILE 57 0.427 -2.233 6.199 471 HD11 ILE 57 3HD1 ILE 57 0.592 0.593 3.702 472 HD12 ILE 57 1HD1 ILE 57 1.446 0.732 2.167 473 HD13 ILE 57 2HD1 ILE 57 2.350 0.750 3.678 474 H LYS 58 H LYS 58 2.475 -0.149 7.328 475 HA LYS 58 HA LYS 58 2.280 -2.466 9.152 476 HB2 LYS 58 2HB LYS 58 4.381 -1.493 9.755 477 HB3 LYS 58 3HB LYS 58 3.806 0.148 9.505 478 HG2 LYS 58 2HG LYS 58 2.349 -0.100 11.527 479 HG3 LYS 58 3HG LYS 58 3.057 -1.691 11.805 480 HD2 LYS 58 2HD LYS 58 4.669 0.890 11.692 481 HD3 LYS 58 3HD LYS 58 4.046 0.199 13.188 482 HE2 LYS 58 2HE LYS 58 5.926 -1.255 11.311 483 HE3 LYS 58 3HE LYS 58 6.452 -0.336 12.719 484 HZ1 LYS 58 3HZ LYS 58 4.650 -2.690 12.776 485 HZ2 LYS 58 1HZ LYS 58 5.178 -1.813 14.121 486 HZ3 LYS 58 2HZ LYS 58 6.287 -2.688 13.196 487 H VAL 59 H VAL 59 0.090 -2.517 9.430 488 HA VAL 59 HA VAL 59 -1.330 0.015 10.057 489 HB VAL 59 HB VAL 59 -2.521 -2.691 9.231 490 HG11 VAL 59 1HG1 VAL 59 -4.007 -1.470 10.763 491 HG12 VAL 59 2HG1 VAL 59 -4.678 -1.494 9.134 492 HG13 VAL 59 3HG1 VAL 59 -3.911 -0.026 9.747 493 HG21 VAL 59 3HG2 VAL 59 -2.301 -0.092 7.647 494 HG22 VAL 59 1HG2 VAL 59 -3.150 -1.551 7.123 495 HG23 VAL 59 2HG2 VAL 59 -1.401 -1.580 7.342 496 H LYS 60 H LYS 60 -1.132 0.310 12.199 497 HA LYS 60 HA LYS 60 -1.499 -1.860 14.132 498 HB2 LYS 60 2HB LYS 60 0.226 -0.013 14.456 499 HB3 LYS 60 3HB LYS 60 -1.095 1.141 14.603 500 HG2 LYS 60 2HG LYS 60 -1.902 -0.056 16.623 501 HG3 LYS 60 3HG LYS 60 -0.566 -1.200 16.472 502 HD2 LYS 60 2HD LYS 60 0.049 0.423 18.151 503 HD3 LYS 60 3HD LYS 60 1.043 0.736 16.728 504 HE2 LYS 60 2HE LYS 60 0.241 2.835 17.706 505 HE3 LYS 60 3HE LYS 60 -0.464 2.600 16.107 506 HZ1 LYS 60 3HZ LYS 60 -1.824 2.019 18.688 507 HZ2 LYS 60 1HZ LYS 60 -2.510 1.842 17.154 508 HZ3 LYS 60 2HZ LYS 60 -2.099 3.378 17.725 509 H ALA 61 H ALA 61 -3.557 -2.424 14.491 510 HA ALA 61 HA ALA 61 -5.682 -0.425 14.853 511 HB1 ALA 61 3HB ALA 61 -5.817 -1.078 12.457 512 HB2 ALA 61 1HB ALA 61 -7.230 -1.636 13.357 513 HB3 ALA 61 2HB ALA 61 -5.949 -2.772 12.927 514 H ASP 62 H ASP 62 -7.702 -1.635 15.695 515 HA ASP 62 HA ASP 62 -6.939 -2.818 18.141 516 HB2 ASP 62 2HB ASP 62 -8.991 -1.466 17.872 517 HB3 ASP 62 3HB ASP 62 -9.694 -2.698 16.832 518 H THR 63 H THR 63 -8.890 -4.300 15.486 519 HA THR 63 HA THR 63 -7.962 -6.997 16.330 520 HB THR 63 HB THR 63 -10.063 -7.766 14.998 521 HG1 THR 63 HG1 THR 63 -11.410 -5.477 15.507 522 HG21 THR 63 3HG2 THR 63 -9.977 -7.841 17.480 523 HG22 THR 63 1HG2 THR 63 -11.588 -7.413 16.885 524 HG23 THR 63 2HG2 THR 63 -10.528 -6.166 17.540 525 H GLU 64 H GLU 64 -7.616 -8.589 14.695 526 HA GLU 64 HA GLU 64 -5.844 -7.838 12.684 527 HB2 GLU 64 2HB GLU 64 -6.007 -10.235 11.911 528 HB3 GLU 64 3HB GLU 64 -5.683 -10.043 13.628 529 HG2 GLU 64 2HG GLU 64 -7.891 -10.681 14.233 530 HG3 GLU 64 3HG GLU 64 -8.474 -10.509 12.583 531 H GLU 65 H GLU 65 -9.263 -8.762 12.393 532 HA GLU 65 HA GLU 65 -9.579 -8.973 9.638 533 HB2 GLU 65 2HB GLU 65 -11.264 -9.720 11.226 534 HB3 GLU 65 3HB GLU 65 -11.510 -8.082 11.819 535 HG2 GLU 65 2HG GLU 65 -12.375 -7.496 9.504 536 HG3 GLU 65 3HG GLU 65 -12.329 -9.217 9.129 537 H LYS 66 H LYS 66 -10.036 -6.145 11.719 538 HA LYS 66 HA LYS 66 -10.936 -4.388 9.644 539 HB2 LYS 66 2HB LYS 66 -9.843 -3.669 12.404 540 HB3 LYS 66 3HB LYS 66 -10.834 -2.644 11.366 541 HG2 LYS 66 2HG LYS 66 -12.697 -4.311 11.573 542 HG3 LYS 66 3HG LYS 66 -11.700 -5.232 12.698 543 HD2 LYS 66 2HD LYS 66 -13.227 -3.935 14.013 544 HD3 LYS 66 3HD LYS 66 -11.641 -3.186 14.196 545 HE2 LYS 66 2HE LYS 66 -12.250 -1.420 12.635 546 HE3 LYS 66 3HE LYS 66 -13.787 -2.214 12.279 547 HZ1 LYS 66 3HZ LYS 66 -14.139 -0.430 13.815 548 HZ2 LYS 66 1HZ LYS 66 -12.979 -1.032 14.887 549 HZ3 LYS 66 2HZ LYS 66 -14.412 -1.884 14.622 550 H ALA 67 H ALA 67 -7.837 -5.038 11.228 551 HA ALA 67 HA ALA 67 -6.277 -3.009 10.038 552 HB1 ALA 67 3HB ALA 67 -5.414 -5.763 10.977 553 HB2 ALA 67 1HB ALA 67 -5.602 -4.339 12.003 554 HB3 ALA 67 2HB ALA 67 -4.365 -4.359 10.747 555 H LYS 68 H LYS 68 -7.086 -6.281 8.933 556 HA LYS 68 HA LYS 68 -5.343 -6.378 6.671 557 HB2 LYS 68 2HB LYS 68 -7.876 -7.966 7.278 558 HB3 LYS 68 3HB LYS 68 -6.753 -8.339 5.978 559 HG2 LYS 68 2HG LYS 68 -6.087 -8.412 8.930 560 HG3 LYS 68 3HG LYS 68 -6.504 -9.805 7.939 561 HD2 LYS 68 2HD LYS 68 -4.492 -9.369 6.532 562 HD3 LYS 68 3HD LYS 68 -4.060 -8.031 7.608 563 HE2 LYS 68 2HE LYS 68 -2.836 -10.134 8.127 564 HE3 LYS 68 3HE LYS 68 -3.808 -9.563 9.484 565 HZ1 LYS 68 3HZ LYS 68 -4.624 -11.708 7.588 566 HZ2 LYS 68 1HZ LYS 68 -5.491 -11.198 8.949 567 HZ3 LYS 68 2HZ LYS 68 -3.998 -11.971 9.134 568 H SER 69 H SER 69 -8.700 -5.386 7.165 569 HA SER 69 HA SER 69 -9.577 -5.126 4.523 570 HB2 SER 69 2HB SER 69 -11.072 -4.954 6.496 571 HB3 SER 69 3HB SER 69 -10.336 -3.413 6.935 572 HG SER 69 HG SER 69 -12.131 -4.039 4.894 573 H ILE 70 H ILE 70 -7.894 -2.858 6.619 574 HA ILE 70 HA ILE 70 -7.727 -0.592 4.944 575 HB ILE 70 HB ILE 70 -5.887 -1.547 7.189 576 HG12 ILE 70 2HG1 ILE 70 -8.159 0.490 7.358 577 HG13 ILE 70 3HG1 ILE 70 -8.391 -1.223 7.692 578 HG21 ILE 70 1HG2 ILE 70 -5.174 0.816 7.421 579 HG22 ILE 70 2HG2 ILE 70 -6.118 1.246 5.993 580 HG23 ILE 70 3HG2 ILE 70 -4.738 0.157 5.842 581 HD11 ILE 70 3HD1 ILE 70 -6.545 0.618 9.185 582 HD12 ILE 70 1HD1 ILE 70 -6.805 -1.094 9.521 583 HD13 ILE 70 2HD1 ILE 70 -8.128 0.056 9.720 584 H ILE 71 H ILE 71 -5.463 -3.300 5.494 585 HA ILE 71 HA ILE 71 -3.367 -2.568 3.779 586 HB ILE 71 HB ILE 71 -4.358 -5.355 4.547 587 HG12 ILE 71 2HG1 ILE 71 -2.057 -3.685 5.677 588 HG13 ILE 71 3HG1 ILE 71 -3.602 -3.974 6.471 589 HG21 ILE 71 1HG2 ILE 71 -1.709 -4.635 3.229 590 HG22 ILE 71 2HG2 ILE 71 -3.037 -5.523 2.478 591 HG23 ILE 71 3HG2 ILE 71 -2.159 -6.233 3.829 592 HD11 ILE 71 3HD1 ILE 71 -1.522 -6.057 5.825 593 HD12 ILE 71 1HD1 ILE 71 -3.080 -6.362 6.600 594 HD13 ILE 71 2HD1 ILE 71 -1.871 -5.365 7.406 595 H LYS 72 H LYS 72 -6.366 -4.388 3.112 596 HA LYS 72 HA LYS 72 -5.648 -5.176 0.470 597 HB2 LYS 72 2HB LYS 72 -7.541 -6.136 2.117 598 HB3 LYS 72 3HB LYS 72 -8.566 -4.977 1.283 599 HG2 LYS 72 2HG LYS 72 -8.852 -7.022 0.109 600 HG3 LYS 72 3HG LYS 72 -7.778 -6.060 -0.912 601 HD2 LYS 72 2HD LYS 72 -5.836 -7.303 0.286 602 HD3 LYS 72 3HD LYS 72 -7.071 -8.413 0.877 603 HE2 LYS 72 2HE LYS 72 -6.055 -9.379 -1.073 604 HE3 LYS 72 3HE LYS 72 -7.686 -8.879 -1.529 605 HZ1 LYS 72 3HZ LYS 72 -6.027 -8.298 -3.203 606 HZ2 LYS 72 1HZ LYS 72 -5.191 -7.353 -2.079 607 HZ3 LYS 72 2HZ LYS 72 -6.747 -6.909 -2.570 608 H LEU 73 H LEU 73 -7.460 -2.446 1.839 609 HA LEU 73 HA LEU 73 -8.326 -1.221 -0.544 610 HB2 LEU 73 2HB LEU 73 -7.900 -0.315 2.284 611 HB3 LEU 73 3HB LEU 73 -7.905 0.959 1.081 612 HG LEU 73 HG LEU 73 -10.185 0.335 0.379 613 HD11 LEU 73 1HD1 LEU 73 -10.134 -2.069 0.819 614 HD12 LEU 73 2HD1 LEU 73 -11.523 -1.307 1.587 615 HD13 LEU 73 3HD1 LEU 73 -10.120 -1.763 2.556 616 HD21 LEU 73 3HD2 LEU 73 -9.921 0.769 3.376 617 HD22 LEU 73 1HD2 LEU 73 -11.384 1.058 2.426 618 HD23 LEU 73 2HD2 LEU 73 -9.939 2.022 2.132 619 H ILE 74 H ILE 74 -5.280 -0.874 1.275 620 HA ILE 74 HA ILE 74 -3.977 1.043 -0.313 621 HB ILE 74 HB ILE 74 -2.831 -1.240 1.366 622 HG12 ILE 74 2HG1 ILE 74 -3.133 1.737 2.021 623 HG13 ILE 74 3HG1 ILE 74 -4.193 0.464 2.610 624 HG21 ILE 74 1HG2 ILE 74 -0.670 -0.025 1.362 625 HG22 ILE 74 2HG2 ILE 74 -1.325 1.120 0.192 626 HG23 ILE 74 3HG2 ILE 74 -1.125 -0.573 -0.253 627 HD11 ILE 74 3HD1 ILE 74 -1.283 0.837 3.284 628 HD12 ILE 74 1HD1 ILE 74 -2.274 -0.524 3.816 629 HD13 ILE 74 2HD1 ILE 74 -2.671 1.114 4.335 630 H GLU 75 H GLU 75 -3.945 -2.516 -0.525 631 HA GLU 75 HA GLU 75 -2.155 -2.925 -2.620 632 HB2 GLU 75 2HB GLU 75 -4.623 -4.521 -1.839 633 HB3 GLU 75 3HB GLU 75 -3.402 -5.105 -2.964 634 HG2 GLU 75 2HG GLU 75 -1.719 -5.122 -1.214 635 HG3 GLU 75 3HG GLU 75 -2.854 -4.399 -0.067 636 H GLU 76 H GLU 76 -5.710 -2.684 -2.794 637 HA GLU 76 HA GLU 76 -5.881 -3.125 -5.591 638 HB2 GLU 76 2HB GLU 76 -7.956 -1.848 -3.769 639 HB3 GLU 76 3HB GLU 76 -8.253 -2.532 -5.363 640 HG2 GLU 76 2HG GLU 76 -7.474 -4.014 -2.847 641 HG3 GLU 76 3HG GLU 76 -9.022 -4.075 -3.678 642 H ARG 77 H ARG 77 -5.696 -0.203 -3.632 643 HA ARG 77 HA ARG 77 -6.424 1.629 -5.718 644 HB2 ARG 77 2HB ARG 77 -5.200 1.984 -2.958 645 HB3 ARG 77 3HB ARG 77 -5.430 3.349 -4.041 646 HG2 ARG 77 2HG ARG 77 -7.647 1.540 -3.052 647 HG3 ARG 77 3HG ARG 77 -7.238 3.117 -2.375 648 HD2 ARG 77 2HD ARG 77 -7.783 4.192 -4.528 649 HD3 ARG 77 3HD ARG 77 -8.175 2.612 -5.222 650 HE ARG 77 HE ARG 77 -9.667 3.161 -2.851 651 HH11 ARG 77 1HH1 ARG 77 -9.634 3.802 -6.323 652 HH12 ARG 77 2HH1 ARG 77 -11.344 4.090 -6.388 653 HH21 ARG 77 1HH2 ARG 77 -11.868 3.540 -2.963 654 HH22 ARG 77 2HH2 ARG 77 -12.615 3.941 -4.477 655 H ILE 78 H ILE 78 -3.261 0.678 -4.248 656 HA ILE 78 HA ILE 78 -1.724 2.467 -5.862 657 HB ILE 78 HB ILE 78 0.302 1.291 -5.140 658 HG12 ILE 78 2HG1 ILE 78 -1.520 -0.802 -3.847 659 HG13 ILE 78 3HG1 ILE 78 -0.536 -1.067 -5.278 660 HG21 ILE 78 1HG2 ILE 78 0.089 1.587 -2.693 661 HG22 ILE 78 2HG2 ILE 78 -1.669 1.613 -2.845 662 HG23 ILE 78 3HG2 ILE 78 -0.701 2.895 -3.576 663 HD11 ILE 78 3HD1 ILE 78 1.492 -0.733 -3.935 664 HD12 ILE 78 1HD1 ILE 78 0.489 -2.050 -3.328 665 HD13 ILE 78 2HD1 ILE 78 0.489 -0.493 -2.501 666 H GLU 79 H GLU 79 -2.665 -0.937 -6.196 667 HA GLU 79 HA GLU 79 -1.394 -1.604 -8.602 668 HB2 GLU 79 2HB GLU 79 -2.492 -3.318 -7.289 669 HB3 GLU 79 3HB GLU 79 -4.046 -2.500 -7.385 670 HG2 GLU 79 2HG GLU 79 -4.110 -2.995 -9.833 671 HG3 GLU 79 3HG GLU 79 -2.591 -3.881 -9.666 672 H GLU 80 H GLU 80 -4.477 0.026 -7.966 673 HA GLU 80 HA GLU 80 -5.522 0.026 -10.567 674 HB2 GLU 80 2HB GLU 80 -6.834 0.402 -8.472 675 HB3 GLU 80 3HB GLU 80 -6.113 1.997 -8.317 676 HG2 GLU 80 2HG GLU 80 -7.255 2.805 -10.245 677 HG3 GLU 80 3HG GLU 80 -7.730 1.179 -10.733 678 H GLU 81 H GLU 81 -4.022 2.774 -8.825 679 HA GLU 81 HA GLU 81 -4.093 4.523 -11.068 680 HB2 GLU 81 2HB GLU 81 -2.507 4.708 -8.479 681 HB3 GLU 81 3HB GLU 81 -2.666 6.017 -9.648 682 HG2 GLU 81 2HG GLU 81 -4.926 4.750 -8.078 683 HG3 GLU 81 3HG GLU 81 -4.184 6.315 -7.753 684 H LEU 82 H LEU 82 -1.520 2.508 -9.672 685 HA LEU 82 HA LEU 82 0.641 3.707 -11.086 686 HB2 LEU 82 2HB LEU 82 0.479 2.061 -8.957 687 HB3 LEU 82 3HB LEU 82 0.846 0.848 -10.166 688 HG LEU 82 HG LEU 82 2.563 3.236 -9.377 689 HD11 LEU 82 1HD1 LEU 82 2.509 1.416 -7.755 690 HD12 LEU 82 2HD1 LEU 82 4.090 1.563 -8.508 691 HD13 LEU 82 3HD1 LEU 82 2.999 0.267 -9.004 692 HD21 LEU 82 3HD2 LEU 82 4.305 2.366 -10.873 693 HD22 LEU 82 1HD2 LEU 82 2.870 2.844 -11.777 694 HD23 LEU 82 2HD2 LEU 82 3.195 1.137 -11.475 695 H ARG 83 H ARG 83 -1.260 0.741 -11.635 696 HA ARG 83 HA ARG 83 0.237 -0.273 -13.809 697 HB2 ARG 83 2HB ARG 83 -1.349 -1.599 -12.406 698 HB3 ARG 83 3HB ARG 83 -2.702 -0.783 -13.183 699 HG2 ARG 83 2HG ARG 83 -2.000 -1.765 -15.369 700 HG3 ARG 83 3HG ARG 83 -0.686 -2.611 -14.543 701 HD2 ARG 83 2HD ARG 83 -2.592 -4.102 -14.915 702 HD3 ARG 83 3HD ARG 83 -2.326 -3.853 -13.190 703 HE ARG 83 HE ARG 83 -4.340 -2.722 -13.037 704 HH11 ARG 83 1HH1 ARG 83 -3.717 -3.426 -16.429 705 HH12 ARG 83 2HH1 ARG 83 -5.326 -3.029 -16.930 706 HH21 ARG 83 1HH2 ARG 83 -6.452 -2.201 -13.730 707 HH22 ARG 83 2HH2 ARG 83 -6.866 -2.341 -15.407 708 H LYS 84 H LYS 84 -2.203 2.188 -13.706 709 HA LYS 84 HA LYS 84 -2.911 2.187 -16.500 710 HB2 LYS 84 2HB LYS 84 -3.284 4.308 -14.339 711 HB3 LYS 84 3HB LYS 84 -4.038 4.354 -15.932 712 HG2 LYS 84 2HG LYS 84 -5.413 2.445 -15.440 713 HG3 LYS 84 3HG LYS 84 -4.490 2.075 -13.984 714 HD2 LYS 84 2HD LYS 84 -6.585 3.063 -13.306 715 HD3 LYS 84 3HD LYS 84 -5.299 4.224 -12.970 716 HE2 LYS 84 2HE LYS 84 -7.168 5.418 -13.905 717 HE3 LYS 84 3HE LYS 84 -5.896 5.389 -15.126 718 HZ1 LYS 84 3HZ LYS 84 -8.262 3.594 -15.033 719 HZ2 LYS 84 1HZ LYS 84 -7.050 3.547 -16.208 720 HZ3 LYS 84 2HZ LYS 84 -8.055 4.899 -16.086 721 H ARG 85 H ARG 85 -0.220 3.501 -14.699 722 HA ARG 85 HA ARG 85 0.579 5.200 -17.008 723 HB2 ARG 85 2HB ARG 85 1.592 5.222 -14.143 724 HB3 ARG 85 3HB ARG 85 2.216 6.240 -15.430 725 HG2 ARG 85 2HG ARG 85 -0.603 6.350 -14.318 726 HG3 ARG 85 3HG ARG 85 0.711 7.442 -13.884 727 HD2 ARG 85 2HD ARG 85 -0.668 8.606 -15.445 728 HD3 ARG 85 3HD ARG 85 0.791 8.148 -16.326 729 HE ARG 85 HE ARG 85 -1.103 6.152 -16.737 730 HH11 ARG 85 1HH1 ARG 85 -0.826 9.563 -17.545 731 HH12 ARG 85 2HH1 ARG 85 -1.792 9.423 -18.979 732 HH21 ARG 85 1HH2 ARG 85 -2.307 5.960 -18.667 733 HH22 ARG 85 2HH2 ARG 85 -2.629 7.385 -19.610 734 H ASP 86 H ASP 86 1.666 2.608 -14.905 735 HA ASP 86 HA ASP 86 3.843 1.905 -16.770 736 HB2 ASP 86 2HB ASP 86 3.563 1.283 -13.776 737 HB3 ASP 86 3HB ASP 86 4.786 0.566 -14.819 738 HA PRO 87 HA PRO 87 0.217 -0.700 -17.710 739 HB2 PRO 87 2HB PRO 87 1.432 -2.118 -19.831 740 HB3 PRO 87 3HB PRO 87 0.585 -0.565 -19.970 741 HG2 PRO 87 2HG PRO 87 3.525 -1.093 -19.737 742 HG3 PRO 87 3HG PRO 87 2.666 0.095 -20.745 743 HD2 PRO 87 2HD PRO 87 3.910 0.849 -18.496 744 HD3 PRO 87 3HD PRO 87 2.353 1.576 -18.962 745 H ASN 88 H ASN 88 3.421 -2.058 -17.130 746 HA ASN 88 HA ASN 88 2.195 -4.589 -16.142 747 HB2 ASN 88 2HB ASN 88 4.865 -4.025 -17.461 748 HB3 ASN 88 3HB ASN 88 4.676 -5.424 -16.418 749 HD21 ASN 88 1HD2 ASN 88 1.957 -4.449 -18.416 750 HD22 ASN 88 2HD2 ASN 88 2.103 -5.727 -19.556 751 H ALA 89 H ALA 89 2.069 -2.365 -14.494 752 HA ALA 89 HA ALA 89 4.092 -2.622 -12.427 753 HB1 ALA 89 3HB ALA 89 1.377 -1.260 -12.318 754 HB2 ALA 89 1HB ALA 89 2.898 -0.486 -12.766 755 HB3 ALA 89 2HB ALA 89 2.671 -1.100 -11.127 756 H THR 90 H THR 90 3.970 -4.951 -12.265 757 HA THR 90 HA THR 90 1.627 -6.257 -11.152 758 HB THR 90 HB THR 90 4.446 -7.355 -11.609 759 HG1 THR 90 HG1 THR 90 2.280 -6.950 -13.394 760 HG21 THR 90 3HG2 THR 90 1.760 -8.783 -11.464 761 HG22 THR 90 1HG2 THR 90 3.015 -8.834 -10.233 762 HG23 THR 90 2HG2 THR 90 3.311 -9.548 -11.823 763 H ILE 91 H ILE 91 1.456 -7.016 -9.005 764 HA ILE 91 HA ILE 91 3.470 -6.063 -7.055 765 HB ILE 91 HB ILE 91 1.644 -5.519 -5.441 766 HG12 ILE 91 2HG1 ILE 91 -0.173 -6.944 -6.581 767 HG13 ILE 91 3HG1 ILE 91 -0.685 -5.363 -6.014 768 HG21 ILE 91 1HG2 ILE 91 1.505 -3.911 -8.015 769 HG22 ILE 91 2HG2 ILE 91 2.697 -3.726 -6.731 770 HG23 ILE 91 3HG2 ILE 91 1.005 -3.349 -6.416 771 HD11 ILE 91 3HD1 ILE 91 -0.040 -6.072 -8.878 772 HD12 ILE 91 1HD1 ILE 91 -0.594 -4.503 -8.292 773 HD13 ILE 91 2HD1 ILE 91 -1.650 -5.910 -8.179 774 H THR 92 H THR 92 4.047 -7.482 -5.519 775 HA THR 92 HA THR 92 2.704 -10.125 -5.384 776 HB THR 92 HB THR 92 5.694 -9.550 -5.007 777 HG1 THR 92 HG1 THR 92 4.169 -10.096 -7.271 778 HG21 THR 92 3HG2 THR 92 5.953 -12.000 -5.150 779 HG22 THR 92 1HG2 THR 92 4.198 -12.194 -5.286 780 HG23 THR 92 2HG2 THR 92 4.910 -11.573 -3.797 781 H ARG 93 H ARG 93 1.686 -10.282 -3.468 782 HA ARG 93 HA ARG 93 2.581 -8.691 -1.168 783 HB2 ARG 93 2HB ARG 93 0.155 -8.677 -1.770 784 HB3 ARG 93 3HB ARG 93 0.059 -10.408 -1.445 785 HG2 ARG 93 2HG ARG 93 0.723 -9.980 0.911 786 HG3 ARG 93 3HG ARG 93 0.771 -8.250 0.571 787 HD2 ARG 93 2HD ARG 93 -1.287 -8.745 1.689 788 HD3 ARG 93 3HD ARG 93 -1.667 -8.355 0.012 789 HE ARG 93 HE ARG 93 -1.409 -11.138 0.246 790 HH11 ARG 93 1HH1 ARG 93 -3.609 -8.587 1.322 791 HH12 ARG 93 2HH1 ARG 93 -4.973 -9.658 1.405 792 HH21 ARG 93 1HH2 ARG 93 -3.209 -12.502 0.362 793 HH22 ARG 93 2HH2 ARG 93 -4.745 -11.868 0.860 794 H THR 94 H THR 94 3.759 -9.537 0.402 795 HA THR 94 HA THR 94 3.518 -12.383 1.151 796 HB THR 94 HB THR 94 6.077 -10.699 1.214 797 HG1 THR 94 HG1 THR 94 4.991 -12.344 -0.715 798 HG21 THR 94 3HG2 THR 94 5.997 -12.341 3.056 799 HG22 THR 94 1HG2 THR 94 7.190 -12.825 1.852 800 HG23 THR 94 2HG2 THR 94 5.623 -13.634 1.913 801 H VAL 95 H VAL 95 2.459 -12.349 3.076 802 HA VAL 95 HA VAL 95 2.398 -10.001 4.759 803 HB VAL 95 HB VAL 95 0.355 -11.327 4.452 804 HG11 VAL 95 1HG1 VAL 95 0.037 -13.553 5.463 805 HG12 VAL 95 2HG1 VAL 95 1.745 -13.593 5.911 806 HG13 VAL 95 3HG1 VAL 95 1.282 -13.570 4.211 807 HG21 VAL 95 3HG2 VAL 95 0.550 -9.998 6.489 808 HG22 VAL 95 1HG2 VAL 95 1.331 -11.337 7.334 809 HG23 VAL 95 2HG2 VAL 95 -0.355 -11.472 6.830 810 H ARG 96 H ARG 96 3.701 -9.554 6.458 811 HA ARG 96 HA ARG 96 5.858 -11.393 7.178 812 HB2 ARG 96 2HB ARG 96 6.421 -9.032 6.836 813 HB3 ARG 96 3HB ARG 96 5.230 -8.529 8.025 814 HG2 ARG 96 2HG ARG 96 7.432 -8.315 8.982 815 HG3 ARG 96 3HG ARG 96 6.583 -9.616 9.812 816 HD2 ARG 96 2HD ARG 96 8.597 -10.071 7.582 817 HD3 ARG 96 3HD ARG 96 9.017 -10.057 9.293 818 HE ARG 96 HE ARG 96 7.156 -11.941 9.310 819 HH11 ARG 96 1HH1 ARG 96 9.854 -11.522 7.061 820 HH12 ARG 96 2HH1 ARG 96 9.985 -13.219 6.728 821 HH21 ARG 96 1HH2 ARG 96 7.338 -14.156 8.840 822 HH22 ARG 96 2HH2 ARG 96 8.556 -14.710 7.739 823 H THR 97 H THR 97 3.240 -9.665 8.862 824 HA THR 97 HA THR 97 3.686 -10.934 11.389 825 HB THR 97 HB THR 97 1.344 -9.264 10.369 826 HG1 THR 97 HG1 THR 97 3.587 -8.590 12.004 827 HG21 THR 97 3HG2 THR 97 0.742 -8.893 12.724 828 HG22 THR 97 1HG2 THR 97 2.011 -10.013 13.239 829 HG23 THR 97 2HG2 THR 97 0.626 -10.606 12.320 830 H GLU 98 H GLU 98 3.013 -12.892 11.967 831 HA GLU 98 HA GLU 98 0.969 -14.395 10.513 832 HB2 GLU 98 2HB GLU 98 1.682 -16.281 12.019 833 HB3 GLU 98 3HB GLU 98 3.014 -15.594 11.096 834 HG2 GLU 98 2HG GLU 98 3.652 -14.258 13.140 835 HG3 GLU 98 3HG GLU 98 2.407 -15.133 14.029 836 H VAL 99 H VAL 99 -0.569 -15.704 12.108 837 HA VAL 99 HA VAL 99 -2.222 -13.673 13.329 838 HB VAL 99 HB VAL 99 -2.687 -16.699 13.304 839 HG11 VAL 99 1HG1 VAL 99 -4.647 -14.401 13.743 840 HG12 VAL 99 2HG1 VAL 99 -4.076 -15.537 14.968 841 HG13 VAL 99 3HG1 VAL 99 -5.074 -16.112 13.635 842 HG21 VAL 99 3HG2 VAL 99 -4.090 -16.326 11.307 843 HG22 VAL 99 1HG2 VAL 99 -2.423 -15.836 11.006 844 HG23 VAL 99 2HG2 VAL 99 -3.660 -14.614 11.303 845 H GLY 100 H GLY 100 -1.332 -12.883 15.171 846 HA2 GLY 100 2HA GLY 100 -0.761 -14.740 17.425 847 HA3 GLY 100 3HA GLY 100 0.102 -13.235 17.144 848 H SER 101 H SER 101 -3.329 -13.425 16.624 849 HA SER 101 HA SER 101 -3.860 -11.497 18.728 850 HB2 SER 101 2HB SER 101 -6.205 -11.590 17.767 851 HB3 SER 101 3HB SER 101 -4.960 -11.130 16.605 852 HG SER 101 HG SER 101 -6.387 -12.692 15.766 853 H SER 102 H SER 102 -3.458 -12.650 20.608 854 HA SER 102 HA SER 102 -5.118 -14.988 21.249 855 HB2 SER 102 2HB SER 102 -3.711 -15.104 23.304 856 HB3 SER 102 3HB SER 102 -2.725 -15.087 21.844 857 HG SER 102 HG SER 102 -3.122 -13.048 23.747 858 H TRP 103 H TRP 103 -6.769 -14.924 22.708 859 HA TRP 103 HA TRP 103 -7.131 -12.853 24.645 860 HB2 TRP 103 2HB TRP 103 -8.023 -11.721 22.552 861 HB3 TRP 103 3HB TRP 103 -9.247 -12.979 22.430 862 HD1 TRP 103 HD1 TRP 103 -8.475 -11.540 25.910 863 HE1 TRP 103 HE1 TRP 103 -10.462 -10.111 26.685 864 HE3 TRP 103 HE3 TRP 103 -11.186 -11.445 21.567 865 HZ2 TRP 103 HZ2 TRP 103 -12.841 -9.068 25.624 866 HZ3 TRP 103 HZ3 TRP 103 -13.312 -10.201 21.536 867 HH2 TRP 103 HH2 TRP 103 -14.124 -9.034 23.524 868 H SER 104 H SER 104 -7.612 -14.120 26.309 869 HA SER 104 HA SER 104 -9.621 -16.285 26.024 870 HB2 SER 104 2HB SER 104 -7.244 -16.146 27.946 871 HB3 SER 104 3HB SER 104 -8.437 -17.446 27.875 872 HG SER 104 HG SER 104 -7.163 -16.829 25.480 873 H LEU 105 H LEU 105 -11.495 -15.510 26.847 874 HA LEU 105 HA LEU 105 -11.546 -13.463 28.920 875 HB2 LEU 105 2HB LEU 105 -13.860 -14.845 27.483 876 HB3 LEU 105 3HB LEU 105 -14.024 -13.534 28.639 877 HG LEU 105 HG LEU 105 -12.530 -12.160 26.973 878 HD11 LEU 105 1HD1 LEU 105 -12.738 -12.805 24.620 879 HD12 LEU 105 2HD1 LEU 105 -13.509 -14.322 25.090 880 HD13 LEU 105 3HD1 LEU 105 -11.832 -14.003 25.542 881 HD21 LEU 105 3HD2 LEU 105 -14.512 -11.417 25.733 882 HD22 LEU 105 1HD2 LEU 105 -14.886 -11.662 27.438 883 HD23 LEU 105 2HD2 LEU 105 -15.394 -12.859 26.245 884 H GLU 106 H GLU 106 -12.191 -13.718 31.005 885 HA GLU 106 HA GLU 106 -13.498 -16.170 31.912 886 HB2 GLU 106 2HB GLU 106 -11.961 -16.436 33.832 887 HB3 GLU 106 3HB GLU 106 -11.123 -16.642 32.302 888 HG2 GLU 106 2HG GLU 106 -10.151 -14.398 32.501 889 HG3 GLU 106 3HG GLU 106 -11.028 -14.131 34.008 890 H HIS 107 H HIS 107 -14.785 -15.884 33.739 891 HA HIS 107 HA HIS 107 -14.872 -13.402 35.210 892 HB2 HIS 107 2HB HIS 107 -17.269 -12.861 34.570 893 HB3 HIS 107 3HB HIS 107 -16.102 -12.603 33.281 894 HD1 HIS 107 HD1 HIS 107 -18.793 -15.038 34.327 895 HD2 HIS 107 HD2 HIS 107 -16.613 -13.992 30.955 896 HE1 HIS 107 HE1 HIS 107 -19.832 -16.314 32.435 897 HE2 HIS 107 HE2 HIS 107 -18.606 -15.529 30.386 898 H HIS 108 H HIS 108 -14.491 -16.219 35.745 899 HA HIS 108 HA HIS 108 -16.803 -17.238 37.125 900 HB2 HIS 108 2HB HIS 108 -15.081 -18.788 36.332 901 HB3 HIS 108 3HB HIS 108 -13.858 -18.005 37.325 902 HD1 HIS 108 HD1 HIS 108 -13.539 -18.916 39.644 903 HD2 HIS 108 HD2 HIS 108 -17.100 -20.237 37.947 904 HE1 HIS 108 HE1 HIS 108 -14.475 -20.596 41.260 905 HE2 HIS 108 HE2 HIS 108 -16.479 -21.560 40.084 906 H HIS 109 H HIS 109 -17.582 -15.912 38.624 907 HA HIS 109 HA HIS 109 -15.889 -14.912 40.846 908 HB2 HIS 109 2HB HIS 109 -16.915 -13.088 39.597 909 HB3 HIS 109 3HB HIS 109 -18.490 -13.865 39.646 910 HD1 HIS 109 HD1 HIS 109 -16.073 -11.994 41.862 911 HD2 HIS 109 HD2 HIS 109 -20.026 -13.308 41.896 912 HE1 HIS 109 HE1 HIS 109 -17.133 -10.908 43.869 913 HE2 HIS 109 HE2 HIS 109 -19.515 -11.709 43.868 914 H HIS 110 H HIS 110 -16.141 -16.115 42.626 915 HA HIS 110 HA HIS 110 -18.435 -17.832 43.093 916 HB2 HIS 110 2HB HIS 110 -16.216 -18.668 43.683 917 HB3 HIS 110 3HB HIS 110 -15.917 -17.288 44.732 918 HD1 HIS 110 HD1 HIS 110 -18.269 -20.303 44.557 919 HD2 HIS 110 HD2 HIS 110 -16.515 -17.763 47.342 920 HE1 HIS 110 HE1 HIS 110 -18.851 -21.258 46.807 921 HE2 HIS 110 HE2 HIS 110 -17.898 -19.633 48.469 922 H HIS 111 H HIS 111 -20.267 -17.027 43.918 923 HA HIS 111 HA HIS 111 -20.317 -14.448 45.259 924 HB2 HIS 111 2HB HIS 111 -22.656 -14.416 44.923 925 HB3 HIS 111 3HB HIS 111 -22.043 -15.242 43.499 926 HD1 HIS 111 HD1 HIS 111 -23.984 -15.834 46.673 927 HD2 HIS 111 HD2 HIS 111 -22.979 -17.870 43.186 928 HE1 HIS 111 HE1 HIS 111 -25.432 -17.888 46.642 929 HE2 HIS 111 HE2 HIS 111 -24.659 -19.191 44.641 930 H HIS 112 H HIS 112 -21.909 -14.264 47.192 931 HA HIS 112 HA HIS 112 -21.820 -16.570 49.026 932 HB2 HIS 112 2HB HIS 112 -19.890 -15.187 49.681 933 HB3 HIS 112 3HB HIS 112 -20.906 -13.755 49.800 934 HD1 HIS 112 HD1 HIS 112 -22.191 -13.422 51.962 935 HD2 HIS 112 HD2 HIS 112 -20.313 -17.131 51.784 936 HE1 HIS 112 HE1 HIS 112 -22.406 -14.400 54.262 937 HE2 HIS 112 HE2 HIS 112 -21.454 -16.712 54.075 Start of MODEL 14 1 H1 MET 1 1H MET 1 -6.539 -3.552 20.811 2 H2 MET 1 2H MET 1 -5.111 -4.286 21.346 3 H3 MET 1 3H MET 1 -5.877 -4.847 19.952 4 HA MET 1 HA MET 1 -5.443 -2.819 18.807 5 HB2 MET 1 2HB MET 1 -5.502 -1.421 20.934 6 HB3 MET 1 3HB MET 1 -3.879 -1.993 21.297 7 HG2 MET 1 2HG MET 1 -3.737 0.208 20.330 8 HG3 MET 1 3HG MET 1 -3.101 -0.946 19.150 9 HE1 MET 1 3HE MET 1 -3.421 1.218 17.430 10 HE2 MET 1 1HE MET 1 -4.232 2.148 18.694 11 HE3 MET 1 2HE MET 1 -4.998 1.943 17.120 12 H LEU 2 H LEU 2 -4.248 -3.937 17.390 13 HA LEU 2 HA LEU 2 -1.578 -4.970 18.120 14 HB2 LEU 2 2HB LEU 2 -2.091 -6.900 16.493 15 HB3 LEU 2 3HB LEU 2 -2.848 -6.935 18.075 16 HG LEU 2 HG LEU 2 -4.977 -6.050 17.014 17 HD11 LEU 2 1HD1 LEU 2 -4.103 -5.056 14.966 18 HD12 LEU 2 2HD1 LEU 2 -5.318 -6.274 14.603 19 HD13 LEU 2 3HD1 LEU 2 -3.606 -6.644 14.378 20 HD21 LEU 2 3HD2 LEU 2 -5.665 -8.219 16.094 21 HD22 LEU 2 1HD2 LEU 2 -4.725 -8.401 17.574 22 HD23 LEU 2 2HD2 LEU 2 -3.975 -8.726 16.010 23 H THR 3 H THR 3 -0.096 -5.249 16.294 24 HA THR 3 HA THR 3 -0.715 -3.487 13.983 25 HB THR 3 HB THR 3 2.052 -4.178 15.080 26 HG1 THR 3 HG1 THR 3 0.326 -2.647 16.271 27 HG21 THR 3 3HG2 THR 3 2.029 -3.478 12.702 28 HG22 THR 3 1HG2 THR 3 2.786 -2.258 13.724 29 HG23 THR 3 2HG2 THR 3 1.139 -2.016 13.139 30 H VAL 4 H VAL 4 -0.334 -4.281 11.907 31 HA VAL 4 HA VAL 4 0.719 -7.043 11.637 32 HB VAL 4 HB VAL 4 -1.646 -7.098 11.119 33 HG11 VAL 4 1HG1 VAL 4 -2.690 -5.815 9.300 34 HG12 VAL 4 2HG1 VAL 4 -1.182 -4.931 9.052 35 HG13 VAL 4 3HG1 VAL 4 -2.065 -4.757 10.569 36 HG21 VAL 4 3HG2 VAL 4 0.001 -7.288 8.563 37 HG22 VAL 4 1HG2 VAL 4 -1.584 -8.025 8.816 38 HG23 VAL 4 2HG2 VAL 4 -0.202 -8.558 9.769 39 H GLU 5 H GLU 5 2.457 -7.242 10.449 40 HA GLU 5 HA GLU 5 3.423 -5.123 8.675 41 HB2 GLU 5 2HB GLU 5 4.684 -7.570 9.959 42 HB3 GLU 5 3HB GLU 5 5.476 -6.784 8.604 43 HG2 GLU 5 2HG GLU 5 4.703 -5.164 11.029 44 HG3 GLU 5 3HG GLU 5 6.145 -6.174 11.049 45 H VAL 6 H VAL 6 3.366 -5.304 6.542 46 HA VAL 6 HA VAL 6 3.260 -7.911 5.210 47 HB VAL 6 HB VAL 6 0.897 -7.265 5.305 48 HG11 VAL 6 1HG1 VAL 6 0.005 -5.231 4.262 49 HG12 VAL 6 2HG1 VAL 6 1.646 -4.677 3.917 50 HG13 VAL 6 3HG1 VAL 6 1.106 -4.848 5.588 51 HG21 VAL 6 3HG2 VAL 6 1.993 -6.882 2.490 52 HG22 VAL 6 1HG2 VAL 6 0.332 -7.327 2.901 53 HG23 VAL 6 2HG2 VAL 6 1.659 -8.428 3.272 54 H GLU 7 H GLU 7 4.607 -7.964 3.557 55 HA GLU 7 HA GLU 7 5.883 -5.498 2.555 56 HB2 GLU 7 2HB GLU 7 7.383 -7.205 3.536 57 HB3 GLU 7 3HB GLU 7 6.732 -8.433 2.454 58 HG2 GLU 7 2HG GLU 7 7.613 -7.111 0.517 59 HG3 GLU 7 3HG GLU 7 8.381 -6.010 1.661 60 H VAL 8 H VAL 8 4.570 -4.845 0.891 61 HA VAL 8 HA VAL 8 3.783 -6.772 -1.196 62 HB VAL 8 HB VAL 8 3.154 -3.773 -0.944 63 HG11 VAL 8 1HG1 VAL 8 1.975 -5.892 -2.781 64 HG12 VAL 8 2HG1 VAL 8 3.043 -4.567 -3.256 65 HG13 VAL 8 3HG1 VAL 8 1.424 -4.219 -2.653 66 HG21 VAL 8 3HG2 VAL 8 2.140 -5.021 0.926 67 HG22 VAL 8 1HG2 VAL 8 1.385 -6.146 -0.208 68 HG23 VAL 8 2HG2 VAL 8 0.898 -4.448 -0.188 69 H LYS 9 H LYS 9 5.558 -7.176 -2.448 70 HA LYS 9 HA LYS 9 7.465 -5.034 -3.068 71 HB2 LYS 9 2HB LYS 9 8.278 -7.238 -2.256 72 HB3 LYS 9 3HB LYS 9 7.594 -8.023 -3.679 73 HG2 LYS 9 2HG LYS 9 9.176 -7.026 -5.139 74 HG3 LYS 9 3HG LYS 9 9.633 -5.793 -3.962 75 HD2 LYS 9 2HD LYS 9 10.221 -8.767 -3.644 76 HD3 LYS 9 3HD LYS 9 11.368 -7.583 -4.277 77 HE2 LYS 9 2HE LYS 9 11.217 -6.331 -2.131 78 HE3 LYS 9 3HE LYS 9 10.141 -7.576 -1.500 79 HZ1 LYS 9 3HZ LYS 9 12.427 -7.880 -0.768 80 HZ2 LYS 9 1HZ LYS 9 12.948 -8.006 -2.373 81 HZ3 LYS 9 2HZ LYS 9 11.926 -9.185 -1.721 82 H ILE 10 H ILE 10 7.349 -3.971 -4.891 83 HA ILE 10 HA ILE 10 5.272 -4.662 -6.874 84 HB ILE 10 HB ILE 10 6.429 -1.930 -6.116 85 HG12 ILE 10 2HG1 ILE 10 3.779 -3.195 -5.268 86 HG13 ILE 10 3HG1 ILE 10 5.173 -2.946 -4.232 87 HG21 ILE 10 1HG2 ILE 10 4.031 -2.604 -7.866 88 HG22 ILE 10 2HG2 ILE 10 5.583 -1.974 -8.425 89 HG23 ILE 10 3HG2 ILE 10 4.543 -0.980 -7.403 90 HD11 ILE 10 3HD1 ILE 10 3.489 -1.305 -3.783 91 HD12 ILE 10 1HD1 ILE 10 3.473 -0.791 -5.470 92 HD13 ILE 10 2HD1 ILE 10 4.907 -0.521 -4.476 93 H THR 11 H THR 11 6.303 -5.592 -8.586 94 HA THR 11 HA THR 11 8.861 -4.698 -9.599 95 HB THR 11 HB THR 11 8.300 -7.058 -9.847 96 HG1 THR 11 HG1 THR 11 9.569 -6.146 -11.505 97 HG21 THR 11 3HG2 THR 11 5.848 -6.976 -10.003 98 HG22 THR 11 1HG2 THR 11 6.531 -7.888 -11.352 99 HG23 THR 11 2HG2 THR 11 5.957 -6.238 -11.601 100 H ALA 12 H ALA 12 9.165 -3.100 -11.102 101 HA ALA 12 HA ALA 12 6.915 -2.100 -12.729 102 HB1 ALA 12 3HB ALA 12 8.543 -0.323 -10.869 103 HB2 ALA 12 1HB ALA 12 6.858 -0.793 -10.628 104 HB3 ALA 12 2HB ALA 12 7.303 0.220 -12.001 105 H ASP 13 H ASP 13 7.628 -0.535 -14.365 106 HA ASP 13 HA ASP 13 10.010 -1.345 -15.747 107 HB2 ASP 13 2HB ASP 13 8.002 -0.683 -16.983 108 HB3 ASP 13 3HB ASP 13 8.023 0.916 -16.256 109 H ASP 14 H ASP 14 8.998 1.563 -13.993 110 HA ASP 14 HA ASP 14 11.834 2.151 -13.397 111 HB2 ASP 14 2HB ASP 14 9.590 4.119 -13.964 112 HB3 ASP 14 3HB ASP 14 11.005 4.595 -13.035 113 H GLU 15 H GLU 15 12.244 1.849 -11.323 114 HA GLU 15 HA GLU 15 10.508 1.569 -9.170 115 HB2 GLU 15 2HB GLU 15 12.523 2.063 -7.758 116 HB3 GLU 15 3HB GLU 15 12.816 0.881 -9.027 117 HG2 GLU 15 2HG GLU 15 13.905 2.628 -10.407 118 HG3 GLU 15 3HG GLU 15 13.616 3.803 -9.128 119 H ASN 16 H ASN 16 11.736 4.471 -10.685 120 HA ASN 16 HA ASN 16 11.031 6.383 -8.704 121 HB2 ASN 16 2HB ASN 16 11.467 6.640 -11.710 122 HB3 ASN 16 3HB ASN 16 11.115 8.026 -10.680 123 HD21 ASN 16 1HD2 ASN 16 13.117 8.963 -11.239 124 HD22 ASN 16 2HD2 ASN 16 14.612 8.394 -10.585 125 H LYS 17 H LYS 17 9.298 5.124 -11.565 126 HA LYS 17 HA LYS 17 6.982 6.714 -11.393 127 HB2 LYS 17 2HB LYS 17 7.470 3.943 -12.554 128 HB3 LYS 17 3HB LYS 17 5.891 4.713 -12.638 129 HG2 LYS 17 2HG LYS 17 8.431 5.877 -13.809 130 HG3 LYS 17 3HG LYS 17 7.224 4.953 -14.705 131 HD2 LYS 17 2HD LYS 17 5.514 6.715 -13.931 132 HD3 LYS 17 3HD LYS 17 6.904 7.685 -13.425 133 HE2 LYS 17 2HE LYS 17 6.087 8.295 -15.678 134 HE3 LYS 17 3HE LYS 17 7.753 7.708 -15.722 135 HZ1 LYS 17 3HZ LYS 17 6.286 6.790 -17.488 136 HZ2 LYS 17 1HZ LYS 17 5.389 5.993 -16.294 137 HZ3 LYS 17 2HZ LYS 17 7.018 5.611 -16.529 138 H ALA 18 H ALA 18 7.628 3.417 -10.222 139 HA ALA 18 HA ALA 18 5.161 2.924 -9.032 140 HB1 ALA 18 3HB ALA 18 6.292 1.099 -7.828 141 HB2 ALA 18 1HB ALA 18 7.861 1.756 -8.319 142 HB3 ALA 18 2HB ALA 18 6.736 1.150 -9.532 143 H GLU 19 H GLU 19 8.119 4.358 -7.593 144 HA GLU 19 HA GLU 19 7.168 4.399 -4.929 145 HB2 GLU 19 2HB GLU 19 9.556 4.625 -5.424 146 HB3 GLU 19 3HB GLU 19 9.287 6.171 -6.227 147 HG2 GLU 19 2HG GLU 19 8.585 7.180 -4.128 148 HG3 GLU 19 3HG GLU 19 8.711 5.642 -3.287 149 H GLU 20 H GLU 20 7.169 6.971 -7.427 150 HA GLU 20 HA GLU 20 6.108 9.033 -5.834 151 HB2 GLU 20 2HB GLU 20 5.936 8.647 -8.847 152 HB3 GLU 20 3HB GLU 20 5.550 10.147 -8.011 153 HG2 GLU 20 2HG GLU 20 8.267 8.805 -7.932 154 HG3 GLU 20 3HG GLU 20 7.825 10.089 -9.051 155 H ILE 21 H ILE 21 4.463 6.826 -8.098 156 HA ILE 21 HA ILE 21 1.848 7.818 -7.767 157 HB ILE 21 HB ILE 21 2.725 5.025 -8.646 158 HG12 ILE 21 2HG1 ILE 21 1.960 7.435 -10.379 159 HG13 ILE 21 3HG1 ILE 21 3.604 6.872 -10.114 160 HG21 ILE 21 1HG2 ILE 21 0.484 4.813 -9.683 161 HG22 ILE 21 2HG2 ILE 21 0.020 6.366 -8.984 162 HG23 ILE 21 3HG2 ILE 21 0.377 5.000 -7.929 163 HD11 ILE 21 3HD1 ILE 21 1.413 5.348 -11.530 164 HD12 ILE 21 1HD1 ILE 21 3.049 4.755 -11.232 165 HD13 ILE 21 2HD1 ILE 21 2.794 6.153 -12.275 166 H VAL 22 H VAL 22 3.469 4.950 -6.289 167 HA VAL 22 HA VAL 22 1.242 4.053 -4.811 168 HB VAL 22 HB VAL 22 4.222 3.476 -4.503 169 HG11 VAL 22 1HG1 VAL 22 3.240 3.126 -2.281 170 HG12 VAL 22 2HG1 VAL 22 3.652 1.582 -3.021 171 HG13 VAL 22 3HG1 VAL 22 1.969 2.115 -2.976 172 HG21 VAL 22 3HG2 VAL 22 3.634 1.303 -5.492 173 HG22 VAL 22 1HG2 VAL 22 3.116 2.619 -6.543 174 HG23 VAL 22 2HG2 VAL 22 1.930 1.765 -5.550 175 H LYS 23 H LYS 23 3.980 6.159 -3.774 176 HA LYS 23 HA LYS 23 3.297 6.465 -1.061 177 HB2 LYS 23 2HB LYS 23 4.675 8.372 -2.989 178 HB3 LYS 23 3HB LYS 23 4.421 8.798 -1.301 179 HG2 LYS 23 2HG LYS 23 5.808 6.931 -0.570 180 HG3 LYS 23 3HG LYS 23 5.974 6.368 -2.236 181 HD2 LYS 23 2HD LYS 23 8.001 7.569 -1.536 182 HD3 LYS 23 3HD LYS 23 7.182 8.440 -2.832 183 HE2 LYS 23 2HE LYS 23 6.192 9.971 -1.127 184 HE3 LYS 23 3HE LYS 23 7.105 9.123 0.125 185 HZ1 LYS 23 3HZ LYS 23 9.156 9.779 -0.969 186 HZ2 LYS 23 1HZ LYS 23 8.235 11.142 -0.586 187 HZ3 LYS 23 2HZ LYS 23 8.300 10.586 -2.180 188 H ARG 24 H ARG 24 2.299 8.372 -3.920 189 HA ARG 24 HA ARG 24 0.575 10.175 -2.624 190 HB2 ARG 24 2HB ARG 24 1.280 10.606 -4.894 191 HB3 ARG 24 3HB ARG 24 0.557 9.109 -5.476 192 HG2 ARG 24 2HG ARG 24 -1.676 9.968 -5.161 193 HG3 ARG 24 3HG ARG 24 -1.075 11.390 -4.305 194 HD2 ARG 24 2HD ARG 24 -0.573 10.747 -7.229 195 HD3 ARG 24 3HD ARG 24 -1.731 11.932 -6.618 196 HE ARG 24 HE ARG 24 1.203 12.140 -6.558 197 HH11 ARG 24 1HH1 ARG 24 -1.929 13.674 -5.999 198 HH12 ARG 24 2HH1 ARG 24 -1.250 15.263 -5.841 199 HH21 ARG 24 1HH2 ARG 24 2.073 14.216 -6.297 200 HH22 ARG 24 2HH2 ARG 24 1.019 15.564 -6.013 201 H VAL 25 H VAL 25 -0.062 6.936 -3.966 202 HA VAL 25 HA VAL 25 -2.881 6.991 -3.776 203 HB VAL 25 HB VAL 25 -0.989 4.588 -3.842 204 HG11 VAL 25 1HG1 VAL 25 -4.001 4.662 -4.300 205 HG12 VAL 25 2HG1 VAL 25 -3.172 3.898 -2.940 206 HG13 VAL 25 3HG1 VAL 25 -2.959 3.263 -4.571 207 HG21 VAL 25 3HG2 VAL 25 -1.526 4.469 -6.232 208 HG22 VAL 25 1HG2 VAL 25 -0.844 6.044 -5.840 209 HG23 VAL 25 2HG2 VAL 25 -2.577 5.880 -6.089 210 H ILE 26 H ILE 26 -0.349 5.805 -1.556 211 HA ILE 26 HA ILE 26 -2.185 4.704 0.369 212 HB ILE 26 HB ILE 26 0.737 5.487 0.831 213 HG12 ILE 26 2HG1 ILE 26 -0.261 2.702 0.081 214 HG13 ILE 26 3HG1 ILE 26 0.344 3.846 -1.113 215 HG21 ILE 26 1HG2 ILE 26 -1.019 3.492 2.327 216 HG22 ILE 26 2HG2 ILE 26 -0.507 5.073 2.926 217 HG23 ILE 26 3HG2 ILE 26 0.688 3.806 2.649 218 HD11 ILE 26 3HD1 ILE 26 2.041 2.246 -0.417 219 HD12 ILE 26 1HD1 ILE 26 1.918 2.822 1.243 220 HD13 ILE 26 2HD1 ILE 26 2.499 3.902 -0.028 221 H ASP 27 H ASP 27 -0.718 7.857 -0.196 222 HA ASP 27 HA ASP 27 -1.468 8.983 2.346 223 HB2 ASP 27 2HB ASP 27 0.386 9.897 0.892 224 HB3 ASP 27 3HB ASP 27 -0.830 10.505 -0.225 225 H GLU 28 H GLU 28 -3.043 8.651 -0.796 226 HA GLU 28 HA GLU 28 -5.418 10.112 -0.216 227 HB2 GLU 28 2HB GLU 28 -4.981 7.702 -2.039 228 HB3 GLU 28 3HB GLU 28 -6.458 8.648 -1.990 229 HG2 GLU 28 2HG GLU 28 -3.744 9.714 -2.771 230 HG3 GLU 28 3HG GLU 28 -4.979 9.194 -3.910 231 H VAL 29 H VAL 29 -4.640 6.622 -0.008 232 HA VAL 29 HA VAL 29 -6.969 5.672 1.189 233 HB VAL 29 HB VAL 29 -4.116 4.581 1.511 234 HG11 VAL 29 1HG1 VAL 29 -6.764 3.168 2.022 235 HG12 VAL 29 2HG1 VAL 29 -5.583 3.640 3.246 236 HG13 VAL 29 3HG1 VAL 29 -5.173 2.409 2.054 237 HG21 VAL 29 3HG2 VAL 29 -4.678 3.021 -0.296 238 HG22 VAL 29 1HG2 VAL 29 -4.843 4.688 -0.848 239 HG23 VAL 29 2HG2 VAL 29 -6.280 3.747 -0.453 240 H GLU 30 H GLU 30 -4.126 7.183 2.564 241 HA GLU 30 HA GLU 30 -4.328 6.518 5.251 242 HB2 GLU 30 2HB GLU 30 -2.399 7.725 4.175 243 HB3 GLU 30 3HB GLU 30 -3.388 9.176 4.085 244 HG2 GLU 30 2HG GLU 30 -2.006 9.503 5.961 245 HG3 GLU 30 3HG GLU 30 -3.567 9.045 6.630 246 H ARG 31 H ARG 31 -5.595 9.419 3.579 247 HA ARG 31 HA ARG 31 -6.902 10.434 5.925 248 HB2 ARG 31 2HB ARG 31 -7.711 12.248 4.465 249 HB3 ARG 31 3HB ARG 31 -5.983 11.983 4.295 250 HG2 ARG 31 2HG ARG 31 -6.402 10.750 2.167 251 HG3 ARG 31 3HG ARG 31 -8.125 11.108 2.324 252 HD2 ARG 31 2HD ARG 31 -7.637 13.530 2.220 253 HD3 ARG 31 3HD ARG 31 -5.909 13.186 2.099 254 HE ARG 31 HE ARG 31 -7.081 11.843 -0.021 255 HH11 ARG 31 1HH1 ARG 31 -6.867 15.205 1.038 256 HH12 ARG 31 2HH1 ARG 31 -6.974 15.847 -0.569 257 HH21 ARG 31 1HH2 ARG 31 -7.204 12.709 -2.147 258 HH22 ARG 31 2HH2 ARG 31 -7.166 14.433 -2.378 259 H GLU 32 H GLU 32 -7.856 8.291 3.368 260 HA GLU 32 HA GLU 32 -10.706 8.492 3.749 261 HB2 GLU 32 2HB GLU 32 -9.000 6.332 2.421 262 HB3 GLU 32 3HB GLU 32 -10.759 6.383 2.376 263 HG2 GLU 32 2HG GLU 32 -10.686 8.509 1.128 264 HG3 GLU 32 3HG GLU 32 -8.928 8.506 1.216 265 H VAL 33 H VAL 33 -8.084 6.509 5.054 266 HA VAL 33 HA VAL 33 -9.824 4.702 6.510 267 HB VAL 33 HB VAL 33 -6.794 4.988 6.320 268 HG11 VAL 33 1HG1 VAL 33 -7.213 4.266 8.622 269 HG12 VAL 33 2HG1 VAL 33 -6.550 2.935 7.676 270 HG13 VAL 33 3HG1 VAL 33 -8.274 2.972 8.052 271 HG21 VAL 33 3HG2 VAL 33 -6.930 2.773 5.244 272 HG22 VAL 33 1HG2 VAL 33 -7.929 3.953 4.395 273 HG23 VAL 33 2HG2 VAL 33 -8.682 2.760 5.460 274 H GLN 34 H GLN 34 -7.978 7.633 7.254 275 HA GLN 34 HA GLN 34 -7.991 7.385 10.077 276 HB2 GLN 34 2HB GLN 34 -7.769 9.866 8.328 277 HB3 GLN 34 3HB GLN 34 -7.538 9.879 10.073 278 HG2 GLN 34 2HG GLN 34 -5.847 8.323 8.091 279 HG3 GLN 34 3HG GLN 34 -5.393 9.845 8.849 280 HE21 GLN 34 1HE2 GLN 34 -4.217 7.077 8.933 281 HE22 GLN 34 2HE2 GLN 34 -4.052 6.728 10.615 282 H LYS 35 H LYS 35 -10.502 8.288 7.853 283 HA LYS 35 HA LYS 35 -12.219 9.299 10.025 284 HB2 LYS 35 2HB LYS 35 -13.773 10.047 8.230 285 HB3 LYS 35 3HB LYS 35 -12.168 10.737 8.104 286 HG2 LYS 35 2HG LYS 35 -12.608 10.289 5.892 287 HG3 LYS 35 3HG LYS 35 -11.758 8.818 6.354 288 HD2 LYS 35 2HD LYS 35 -13.694 8.272 4.975 289 HD3 LYS 35 3HD LYS 35 -13.949 7.657 6.609 290 HE2 LYS 35 2HE LYS 35 -15.458 9.514 7.104 291 HE3 LYS 35 3HE LYS 35 -15.111 10.254 5.539 292 HZ1 LYS 35 3HZ LYS 35 -16.123 8.362 4.444 293 HZ2 LYS 35 1HZ LYS 35 -17.218 9.053 5.527 294 HZ3 LYS 35 2HZ LYS 35 -16.431 7.618 5.925 295 H GLN 36 H GLN 36 -11.810 6.423 8.060 296 HA GLN 36 HA GLN 36 -14.429 5.304 8.796 297 HB2 GLN 36 2HB GLN 36 -12.077 4.052 7.291 298 HB3 GLN 36 3HB GLN 36 -13.634 3.269 7.549 299 HG2 GLN 36 2HG GLN 36 -14.739 5.018 6.205 300 HG3 GLN 36 3HG GLN 36 -13.180 5.809 5.968 301 HE21 GLN 36 1HE2 GLN 36 -13.243 5.604 3.731 302 HE22 GLN 36 2HE2 GLN 36 -13.069 4.087 2.924 303 H TYR 37 H TYR 37 -11.030 4.355 9.223 304 HA TYR 37 HA TYR 37 -11.638 2.958 11.755 305 HB2 TYR 37 2HB TYR 37 -9.168 2.581 10.006 306 HB3 TYR 37 3HB TYR 37 -9.720 1.547 11.315 307 HD1 TYR 37 HD2 TYR 37 -10.214 2.454 7.752 308 HD2 TYR 37 HD1 TYR 37 -11.488 -0.141 10.903 309 HE1 TYR 37 HE2 TYR 37 -11.332 1.003 6.104 310 HE2 TYR 37 HE1 TYR 37 -12.595 -1.591 9.253 311 HH TYR 37 HH TYR 37 -13.486 -1.528 7.034 312 HA PRO 38 HA PRO 38 -9.146 6.731 13.014 313 HB2 PRO 38 2HB PRO 38 -10.605 6.441 15.603 314 HB3 PRO 38 3HB PRO 38 -10.508 7.838 14.513 315 HG2 PRO 38 2HG PRO 38 -12.781 6.430 14.764 316 HG3 PRO 38 3HG PRO 38 -12.296 7.140 13.205 317 HD2 PRO 38 2HD PRO 38 -12.007 4.278 14.144 318 HD3 PRO 38 3HD PRO 38 -12.580 4.904 12.577 319 H ASN 39 H ASN 39 -9.629 3.608 14.397 320 HA ASN 39 HA ASN 39 -7.460 3.614 16.299 321 HB2 ASN 39 2HB ASN 39 -8.966 1.241 15.106 322 HB3 ASN 39 3HB ASN 39 -7.974 1.235 16.565 323 HD21 ASN 39 1HD2 ASN 39 -8.852 2.022 18.486 324 HD22 ASN 39 2HD2 ASN 39 -10.514 2.458 18.647 325 H ALA 40 H ALA 40 -7.413 3.598 12.964 326 HA ALA 40 HA ALA 40 -5.233 1.625 12.721 327 HB1 ALA 40 3HB ALA 40 -7.111 1.349 11.190 328 HB2 ALA 40 1HB ALA 40 -5.634 1.743 10.307 329 HB3 ALA 40 2HB ALA 40 -6.870 2.979 10.559 330 H THR 41 H THR 41 -3.207 2.177 12.286 331 HA THR 41 HA THR 41 -2.477 4.880 11.313 332 HB THR 41 HB THR 41 -0.908 3.031 13.181 333 HG1 THR 41 HG1 THR 41 -1.949 5.642 13.663 334 HG21 THR 41 3HG2 THR 41 0.647 4.178 11.644 335 HG22 THR 41 1HG2 THR 41 0.812 4.810 13.281 336 HG23 THR 41 2HG2 THR 41 -0.069 5.736 12.063 337 H ILE 42 H ILE 42 -1.932 4.603 9.201 338 HA ILE 42 HA ILE 42 -0.765 2.073 8.255 339 HB ILE 42 HB ILE 42 -1.439 4.564 6.606 340 HG12 ILE 42 2HG1 ILE 42 -3.203 2.091 6.997 341 HG13 ILE 42 3HG1 ILE 42 -3.490 3.652 7.755 342 HG21 ILE 42 1HG2 ILE 42 0.153 3.031 5.525 343 HG22 ILE 42 2HG2 ILE 42 -1.395 2.999 4.684 344 HG23 ILE 42 3HG2 ILE 42 -0.954 1.675 5.766 345 HD11 ILE 42 3HD1 ILE 42 -3.845 4.672 5.577 346 HD12 ILE 42 1HD1 ILE 42 -4.923 3.300 5.831 347 HD13 ILE 42 2HD1 ILE 42 -3.517 3.127 4.782 348 H THR 43 H THR 43 1.394 1.959 8.662 349 HA THR 43 HA THR 43 3.139 4.305 8.284 350 HB THR 43 HB THR 43 3.782 1.553 9.446 351 HG1 THR 43 HG1 THR 43 2.464 3.515 10.553 352 HG21 THR 43 3HG2 THR 43 5.795 2.624 8.472 353 HG22 THR 43 1HG2 THR 43 5.884 2.594 10.234 354 HG23 THR 43 2HG2 THR 43 5.467 4.091 9.400 355 H ARG 44 H ARG 44 3.739 4.554 6.209 356 HA ARG 44 HA ARG 44 4.246 2.211 4.489 357 HB2 ARG 44 2HB ARG 44 4.087 3.792 2.588 358 HB3 ARG 44 3HB ARG 44 2.634 3.806 3.576 359 HG2 ARG 44 2HG ARG 44 3.450 5.923 4.658 360 HG3 ARG 44 3HG ARG 44 4.814 5.920 3.541 361 HD2 ARG 44 2HD ARG 44 3.302 6.145 1.634 362 HD3 ARG 44 3HD ARG 44 1.893 6.012 2.691 363 HE ARG 44 HE ARG 44 3.794 8.278 2.628 364 HH11 ARG 44 1HH1 ARG 44 0.561 7.084 3.434 365 HH12 ARG 44 2HH1 ARG 44 -0.033 8.667 3.822 366 HH21 ARG 44 1HH2 ARG 44 2.983 10.315 3.129 367 HH22 ARG 44 2HH2 ARG 44 1.337 10.494 3.646 368 H THR 45 H THR 45 6.252 1.710 3.887 369 HA THR 45 HA THR 45 8.426 3.696 3.927 370 HB THR 45 HB THR 45 8.630 0.941 5.261 371 HG1 THR 45 HG1 THR 45 8.033 3.446 6.224 372 HG21 THR 45 3HG2 THR 45 10.921 1.648 5.910 373 HG22 THR 45 1HG2 THR 45 10.736 3.119 4.949 374 HG23 THR 45 2HG2 THR 45 10.759 1.542 4.158 375 H LEU 46 H LEU 46 9.037 3.728 1.850 376 HA LEU 46 HA LEU 46 8.904 1.282 0.197 377 HB2 LEU 46 2HB LEU 46 8.964 4.229 -0.602 378 HB3 LEU 46 3HB LEU 46 9.063 2.900 -1.742 379 HG LEU 46 HG LEU 46 6.757 2.136 -0.798 380 HD11 LEU 46 1HD1 LEU 46 5.306 3.854 0.138 381 HD12 LEU 46 2HD1 LEU 46 6.653 4.994 0.200 382 HD13 LEU 46 3HD1 LEU 46 6.679 3.540 1.199 383 HD21 LEU 46 3HD2 LEU 46 6.922 4.675 -2.442 384 HD22 LEU 46 1HD2 LEU 46 5.518 3.609 -2.325 385 HD23 LEU 46 2HD2 LEU 46 7.013 3.019 -3.045 386 H THR 47 H THR 47 10.792 0.266 -0.087 387 HA THR 47 HA THR 47 13.320 1.788 -0.283 388 HB THR 47 HB THR 47 12.979 -0.993 0.930 389 HG1 THR 47 HG1 THR 47 13.112 1.594 2.046 390 HG21 THR 47 3HG2 THR 47 15.205 -0.698 -0.114 391 HG22 THR 47 1HG2 THR 47 15.342 -0.723 1.645 392 HG23 THR 47 2HG2 THR 47 15.430 0.811 0.779 393 H ARG 48 H ARG 48 13.986 1.666 -2.306 394 HA ARG 48 HA ARG 48 12.774 -0.236 -4.163 395 HB2 ARG 48 2HB ARG 48 14.596 2.098 -4.879 396 HB3 ARG 48 3HB ARG 48 13.418 1.284 -5.907 397 HG2 ARG 48 2HG ARG 48 11.599 2.185 -4.421 398 HG3 ARG 48 3HG ARG 48 12.831 3.109 -3.557 399 HD2 ARG 48 2HD ARG 48 11.916 3.417 -6.419 400 HD3 ARG 48 3HD ARG 48 11.880 4.611 -5.124 401 HE ARG 48 HE ARG 48 14.318 3.656 -6.493 402 HH11 ARG 48 1HH1 ARG 48 12.632 6.263 -4.795 403 HH12 ARG 48 2HH1 ARG 48 13.922 7.396 -5.052 404 HH21 ARG 48 1HH2 ARG 48 15.942 5.138 -6.844 405 HH22 ARG 48 2HH2 ARG 48 15.806 6.754 -6.213 406 H ASP 49 H ASP 49 14.095 -1.191 -5.877 407 HA ASP 49 HA ASP 49 16.910 -1.625 -5.625 408 HB2 ASP 49 2HB ASP 49 16.125 -3.023 -3.703 409 HB3 ASP 49 3HB ASP 49 15.081 -3.938 -4.778 410 H ASP 50 H ASP 50 16.852 -1.078 -7.780 411 HA ASP 50 HA ASP 50 16.909 -1.372 -10.008 412 HB2 ASP 50 2HB ASP 50 18.272 -3.323 -9.295 413 HB3 ASP 50 3HB ASP 50 16.830 -4.332 -9.274 414 H GLY 51 H GLY 51 14.760 -0.357 -10.089 415 HA2 GLY 51 2HA GLY 51 12.772 -0.138 -11.236 416 HA3 GLY 51 3HA GLY 51 12.995 -1.766 -11.846 417 H THR 52 H THR 52 13.182 -2.211 -8.630 418 HA THR 52 HA THR 52 10.321 -2.951 -8.443 419 HB THR 52 HB THR 52 12.701 -4.461 -7.256 420 HG1 THR 52 HG1 THR 52 12.633 -4.415 -9.613 421 HG21 THR 52 3HG2 THR 52 9.819 -5.345 -7.693 422 HG22 THR 52 1HG2 THR 52 10.513 -4.889 -6.136 423 HG23 THR 52 2HG2 THR 52 11.110 -6.317 -6.985 424 H VAL 53 H VAL 53 9.372 -1.766 -6.883 425 HA VAL 53 HA VAL 53 10.936 -0.625 -4.658 426 HB VAL 53 HB VAL 53 8.036 -0.092 -5.495 427 HG11 VAL 53 1HG1 VAL 53 8.391 0.422 -3.127 428 HG12 VAL 53 2HG1 VAL 53 8.190 1.908 -4.053 429 HG13 VAL 53 3HG1 VAL 53 9.800 1.414 -3.525 430 HG21 VAL 53 3HG2 VAL 53 9.578 0.616 -7.247 431 HG22 VAL 53 1HG2 VAL 53 10.539 1.525 -6.076 432 HG23 VAL 53 2HG2 VAL 53 8.886 2.024 -6.442 433 H GLU 54 H GLU 54 11.040 -1.867 -2.857 434 HA GLU 54 HA GLU 54 8.989 -3.791 -2.138 435 HB2 GLU 54 2HB GLU 54 11.354 -4.250 -1.620 436 HB3 GLU 54 3HB GLU 54 11.455 -2.786 -0.647 437 HG2 GLU 54 2HG GLU 54 9.798 -3.747 0.948 438 HG3 GLU 54 3HG GLU 54 9.742 -5.225 -0.011 439 H LEU 55 H LEU 55 7.122 -2.912 -1.505 440 HA LEU 55 HA LEU 55 7.016 -0.468 0.109 441 HB2 LEU 55 2HB LEU 55 5.461 -0.565 -1.737 442 HB3 LEU 55 3HB LEU 55 4.906 -2.169 -1.279 443 HG LEU 55 HG LEU 55 3.900 -1.197 0.795 444 HD11 LEU 55 1HD1 LEU 55 3.632 1.210 1.031 445 HD12 LEU 55 2HD1 LEU 55 4.649 1.481 -0.385 446 HD13 LEU 55 3HD1 LEU 55 5.333 0.748 1.069 447 HD21 LEU 55 3HD2 LEU 55 2.909 0.011 -1.802 448 HD22 LEU 55 1HD2 LEU 55 1.978 -0.127 -0.307 449 HD23 LEU 55 2HD2 LEU 55 2.499 -1.580 -1.157 450 H ARG 56 H ARG 56 7.025 -0.633 2.221 451 HA ARG 56 HA ARG 56 6.202 -3.115 3.596 452 HB2 ARG 56 2HB ARG 56 8.033 -0.838 4.506 453 HB3 ARG 56 3HB ARG 56 7.618 -2.246 5.479 454 HG2 ARG 56 2HG ARG 56 9.070 -2.394 2.818 455 HG3 ARG 56 3HG ARG 56 9.882 -2.344 4.380 456 HD2 ARG 56 2HD ARG 56 7.857 -4.498 3.690 457 HD3 ARG 56 3HD ARG 56 9.569 -4.643 3.300 458 HE ARG 56 HE ARG 56 10.100 -4.831 5.545 459 HH11 ARG 56 1HH1 ARG 56 6.597 -4.421 5.219 460 HH12 ARG 56 2HH1 ARG 56 6.279 -4.909 6.854 461 HH21 ARG 56 1HH2 ARG 56 9.658 -5.420 7.680 462 HH22 ARG 56 2HH2 ARG 56 8.018 -5.479 8.249 463 H ILE 57 H ILE 57 4.075 -2.837 3.911 464 HA ILE 57 HA ILE 57 3.021 -0.356 5.097 465 HB ILE 57 HB ILE 57 1.637 -2.780 3.862 466 HG12 ILE 57 2HG1 ILE 57 2.554 -1.118 2.257 467 HG13 ILE 57 3HG1 ILE 57 0.799 -1.198 2.184 468 HG21 ILE 57 1HG2 ILE 57 0.283 -0.422 5.222 469 HG22 ILE 57 2HG2 ILE 57 0.285 -2.094 5.786 470 HG23 ILE 57 3HG2 ILE 57 -0.536 -1.673 4.284 471 HD11 ILE 57 3HD1 ILE 57 2.425 0.950 3.549 472 HD12 ILE 57 1HD1 ILE 57 0.660 0.875 3.500 473 HD13 ILE 57 2HD1 ILE 57 1.578 1.080 2.010 474 H LYS 58 H LYS 58 2.595 -0.280 7.176 475 HA LYS 58 HA LYS 58 2.352 -2.740 8.794 476 HB2 LYS 58 2HB LYS 58 4.647 -1.700 8.899 477 HB3 LYS 58 3HB LYS 58 3.919 -0.214 9.492 478 HG2 LYS 58 2HG LYS 58 3.157 -1.392 11.517 479 HG3 LYS 58 3HG LYS 58 3.870 -2.894 10.911 480 HD2 LYS 58 2HD LYS 58 6.111 -1.846 10.935 481 HD3 LYS 58 3HD LYS 58 5.406 -0.336 11.518 482 HE2 LYS 58 2HE LYS 58 4.700 -1.480 13.596 483 HE3 LYS 58 3HE LYS 58 5.419 -2.983 13.005 484 HZ1 LYS 58 3HZ LYS 58 7.571 -1.902 12.955 485 HZ2 LYS 58 1HZ LYS 58 6.906 -1.808 14.505 486 HZ3 LYS 58 2HZ LYS 58 6.895 -0.453 13.499 487 H VAL 59 H VAL 59 0.188 -2.648 9.245 488 HA VAL 59 HA VAL 59 -1.073 -0.038 9.859 489 HB VAL 59 HB VAL 59 -2.478 -2.670 9.164 490 HG11 VAL 59 1HG1 VAL 59 -3.621 0.146 9.426 491 HG12 VAL 59 2HG1 VAL 59 -3.882 -1.193 10.547 492 HG13 VAL 59 3HG1 VAL 59 -4.515 -1.286 8.904 493 HG21 VAL 59 3HG2 VAL 59 -2.004 -0.253 7.375 494 HG22 VAL 59 1HG2 VAL 59 -2.954 -1.683 6.957 495 HG23 VAL 59 2HG2 VAL 59 -1.217 -1.826 7.226 496 H LYS 60 H LYS 60 -0.896 0.335 12.003 497 HA LYS 60 HA LYS 60 -1.442 -1.740 13.997 498 HB2 LYS 60 2HB LYS 60 0.352 -0.095 14.441 499 HB3 LYS 60 3HB LYS 60 -0.787 1.239 14.267 500 HG2 LYS 60 2HG LYS 60 -1.997 0.506 16.281 501 HG3 LYS 60 3HG LYS 60 -0.934 -0.898 16.428 502 HD2 LYS 60 2HD LYS 60 -0.272 0.844 18.007 503 HD3 LYS 60 3HD LYS 60 0.999 0.607 16.802 504 HE2 LYS 60 2HE LYS 60 0.668 2.987 17.237 505 HE3 LYS 60 3HE LYS 60 0.176 2.619 15.583 506 HZ1 LYS 60 3HZ LYS 60 -2.138 2.607 16.325 507 HZ2 LYS 60 1HZ LYS 60 -1.409 4.083 16.706 508 HZ3 LYS 60 2HZ LYS 60 -1.657 2.927 17.908 509 H ALA 61 H ALA 61 -3.532 -2.208 14.324 510 HA ALA 61 HA ALA 61 -5.601 -0.116 14.379 511 HB1 ALA 61 3HB ALA 61 -5.578 -1.042 12.082 512 HB2 ALA 61 1HB ALA 61 -7.077 -1.442 12.923 513 HB3 ALA 61 2HB ALA 61 -5.817 -2.665 12.731 514 H ASP 62 H ASP 62 -7.750 -1.173 15.127 515 HA ASP 62 HA ASP 62 -7.360 -2.262 17.727 516 HB2 ASP 62 2HB ASP 62 -9.257 -0.782 17.183 517 HB3 ASP 62 3HB ASP 62 -9.895 -1.956 16.042 518 H THR 63 H THR 63 -9.064 -3.645 14.901 519 HA THR 63 HA THR 63 -8.599 -6.412 15.898 520 HB THR 63 HB THR 63 -10.718 -5.377 13.949 521 HG1 THR 63 HG1 THR 63 -10.717 -5.010 16.471 522 HG21 THR 63 3HG2 THR 63 -10.476 -8.129 15.244 523 HG22 THR 63 1HG2 THR 63 -10.170 -7.770 13.546 524 HG23 THR 63 2HG2 THR 63 -11.796 -7.581 14.207 525 H GLU 64 H GLU 64 -7.535 -7.876 14.549 526 HA GLU 64 HA GLU 64 -5.930 -6.824 12.469 527 HB2 GLU 64 2HB GLU 64 -5.065 -9.093 12.121 528 HB3 GLU 64 3HB GLU 64 -5.086 -8.649 13.815 529 HG2 GLU 64 2HG GLU 64 -5.753 -10.864 13.886 530 HG3 GLU 64 3HG GLU 64 -7.289 -10.007 13.938 531 H GLU 65 H GLU 65 -8.981 -8.668 12.391 532 HA GLU 65 HA GLU 65 -9.286 -9.254 9.717 533 HB2 GLU 65 2HB GLU 65 -11.397 -8.109 11.607 534 HB3 GLU 65 3HB GLU 65 -11.764 -8.836 10.047 535 HG2 GLU 65 2HG GLU 65 -10.948 -10.999 10.814 536 HG3 GLU 65 3HG GLU 65 -10.433 -10.296 12.342 537 H LYS 66 H LYS 66 -9.843 -6.169 11.304 538 HA LYS 66 HA LYS 66 -10.770 -4.763 8.976 539 HB2 LYS 66 2HB LYS 66 -9.908 -3.680 11.697 540 HB3 LYS 66 3HB LYS 66 -10.884 -2.834 10.496 541 HG2 LYS 66 2HG LYS 66 -12.698 -4.496 10.783 542 HG3 LYS 66 3HG LYS 66 -11.712 -5.369 11.958 543 HD2 LYS 66 2HD LYS 66 -13.337 -4.023 13.159 544 HD3 LYS 66 3HD LYS 66 -11.733 -3.341 13.431 545 HE2 LYS 66 2HE LYS 66 -12.182 -1.600 11.753 546 HE3 LYS 66 3HE LYS 66 -13.770 -2.302 11.438 547 HZ1 LYS 66 3HZ LYS 66 -13.949 -0.419 12.908 548 HZ2 LYS 66 1HZ LYS 66 -12.879 -1.115 14.017 549 HZ3 LYS 66 2HZ LYS 66 -14.384 -1.824 13.731 550 H ALA 67 H ALA 67 -7.707 -5.022 10.762 551 HA ALA 67 HA ALA 67 -6.242 -2.997 9.417 552 HB1 ALA 67 3HB ALA 67 -4.249 -4.104 10.348 553 HB2 ALA 67 1HB ALA 67 -5.217 -5.532 10.747 554 HB3 ALA 67 2HB ALA 67 -5.527 -3.998 11.557 555 H LYS 68 H LYS 68 -6.725 -6.425 8.766 556 HA LYS 68 HA LYS 68 -4.997 -6.668 6.496 557 HB2 LYS 68 2HB LYS 68 -7.319 -8.437 7.399 558 HB3 LYS 68 3HB LYS 68 -6.088 -8.889 6.225 559 HG2 LYS 68 2HG LYS 68 -5.533 -8.270 9.141 560 HG3 LYS 68 3HG LYS 68 -5.771 -9.889 8.502 561 HD2 LYS 68 2HD LYS 68 -3.582 -8.027 7.532 562 HD3 LYS 68 3HD LYS 68 -3.364 -9.155 8.871 563 HE2 LYS 68 2HE LYS 68 -4.133 -9.930 6.042 564 HE3 LYS 68 3HE LYS 68 -2.529 -10.083 6.756 565 HZ1 LYS 68 3HZ LYS 68 -4.907 -11.387 7.936 566 HZ2 LYS 68 1HZ LYS 68 -3.280 -11.697 8.255 567 HZ3 LYS 68 2HZ LYS 68 -3.955 -12.136 6.774 568 H SER 69 H SER 69 -8.342 -5.765 7.012 569 HA SER 69 HA SER 69 -9.206 -5.884 4.288 570 HB2 SER 69 2HB SER 69 -10.729 -5.876 6.328 571 HB3 SER 69 3HB SER 69 -10.384 -4.157 6.513 572 HG SER 69 HG SER 69 -11.449 -5.329 4.149 573 H ILE 70 H ILE 70 -7.633 -3.458 6.311 574 HA ILE 70 HA ILE 70 -7.712 -1.277 4.441 575 HB ILE 70 HB ILE 70 -5.903 -1.762 6.857 576 HG12 ILE 70 2HG1 ILE 70 -8.305 0.112 6.649 577 HG13 ILE 70 3HG1 ILE 70 -8.422 -1.535 7.255 578 HG21 ILE 70 1HG2 ILE 70 -6.270 0.811 5.271 579 HG22 ILE 70 2HG2 ILE 70 -4.804 -0.170 5.342 580 HG23 ILE 70 3HG2 ILE 70 -5.376 0.667 6.786 581 HD11 ILE 70 3HD1 ILE 70 -8.300 0.049 9.072 582 HD12 ILE 70 1HD1 ILE 70 -6.763 0.670 8.468 583 HD13 ILE 70 2HD1 ILE 70 -6.876 -0.989 9.063 584 H ILE 71 H ILE 71 -5.440 -3.904 5.142 585 HA ILE 71 HA ILE 71 -3.348 -3.180 3.358 586 HB ILE 71 HB ILE 71 -4.244 -5.948 4.308 587 HG12 ILE 71 2HG1 ILE 71 -1.912 -4.204 5.248 588 HG13 ILE 71 3HG1 ILE 71 -3.430 -4.418 6.111 589 HG21 ILE 71 1HG2 ILE 71 -1.674 -5.240 2.840 590 HG22 ILE 71 2HG2 ILE 71 -3.014 -6.189 2.189 591 HG23 ILE 71 3HG2 ILE 71 -2.063 -6.813 3.536 592 HD11 ILE 71 3HD1 ILE 71 -1.689 -5.767 7.083 593 HD12 ILE 71 1HD1 ILE 71 -1.404 -6.574 5.541 594 HD13 ILE 71 2HD1 ILE 71 -2.938 -6.794 6.386 595 H LYS 72 H LYS 72 -6.221 -5.252 2.988 596 HA LYS 72 HA LYS 72 -5.989 -5.912 0.265 597 HB2 LYS 72 2HB LYS 72 -7.517 -7.087 1.810 598 HB3 LYS 72 3HB LYS 72 -8.445 -5.618 2.050 599 HG2 LYS 72 2HG LYS 72 -9.746 -7.012 0.641 600 HG3 LYS 72 3HG LYS 72 -9.117 -5.733 -0.390 601 HD2 LYS 72 2HD LYS 72 -7.678 -8.392 -0.237 602 HD3 LYS 72 3HD LYS 72 -9.131 -8.235 -1.217 603 HE2 LYS 72 2HE LYS 72 -6.600 -6.595 -1.548 604 HE3 LYS 72 3HE LYS 72 -7.095 -7.941 -2.567 605 HZ1 LYS 72 3HZ LYS 72 -8.483 -5.322 -2.290 606 HZ2 LYS 72 1HZ LYS 72 -9.101 -6.642 -3.153 607 HZ3 LYS 72 2HZ LYS 72 -7.664 -5.911 -3.645 608 H LEU 73 H LEU 73 -7.304 -3.094 1.911 609 HA LEU 73 HA LEU 73 -8.603 -1.843 -0.241 610 HB2 LEU 73 2HB LEU 73 -8.942 -1.367 2.200 611 HB3 LEU 73 3HB LEU 73 -7.343 -0.643 2.253 612 HG LEU 73 HG LEU 73 -8.141 1.031 0.549 613 HD11 LEU 73 1HD1 LEU 73 -10.568 1.314 0.259 614 HD12 LEU 73 2HD1 LEU 73 -10.844 -0.169 1.177 615 HD13 LEU 73 3HD1 LEU 73 -10.004 -0.233 -0.377 616 HD21 LEU 73 3HD2 LEU 73 -9.621 1.000 3.196 617 HD22 LEU 73 1HD2 LEU 73 -9.341 2.416 2.179 618 HD23 LEU 73 2HD2 LEU 73 -7.978 1.593 2.933 619 H ILE 74 H ILE 74 -5.346 -1.483 1.160 620 HA ILE 74 HA ILE 74 -4.368 0.500 -0.627 621 HB ILE 74 HB ILE 74 -2.878 -1.509 1.143 622 HG12 ILE 74 2HG1 ILE 74 -3.450 1.468 1.567 623 HG13 ILE 74 3HG1 ILE 74 -4.310 0.154 2.353 624 HG21 ILE 74 1HG2 ILE 74 -0.866 -0.103 0.874 625 HG22 ILE 74 2HG2 ILE 74 -1.714 0.902 -0.301 626 HG23 ILE 74 3HG2 ILE 74 -1.377 -0.791 -0.671 627 HD11 ILE 74 3HD1 ILE 74 -1.405 0.865 2.735 628 HD12 ILE 74 1HD1 ILE 74 -2.231 -0.501 3.491 629 HD13 ILE 74 2HD1 ILE 74 -2.730 1.148 3.862 630 H GLU 75 H GLU 75 -4.364 -3.030 -0.646 631 HA GLU 75 HA GLU 75 -2.708 -3.635 -2.793 632 HB2 GLU 75 2HB GLU 75 -5.099 -4.980 -1.518 633 HB3 GLU 75 3HB GLU 75 -4.473 -5.643 -3.017 634 HG2 GLU 75 2HG GLU 75 -2.767 -5.218 -0.561 635 HG3 GLU 75 3HG GLU 75 -3.637 -6.711 -0.905 636 H GLU 76 H GLU 76 -6.251 -3.251 -2.841 637 HA GLU 76 HA GLU 76 -6.496 -3.490 -5.672 638 HB2 GLU 76 2HB GLU 76 -8.865 -2.905 -5.301 639 HB3 GLU 76 3HB GLU 76 -8.314 -4.115 -4.150 640 HG2 GLU 76 2HG GLU 76 -7.964 -2.172 -2.508 641 HG3 GLU 76 3HG GLU 76 -8.875 -1.194 -3.652 642 H ARG 77 H ARG 77 -5.953 -0.816 -3.515 643 HA ARG 77 HA ARG 77 -6.661 1.300 -5.299 644 HB2 ARG 77 2HB ARG 77 -5.538 1.012 -2.573 645 HB3 ARG 77 3HB ARG 77 -4.837 2.364 -3.429 646 HG2 ARG 77 2HG ARG 77 -7.831 1.993 -3.140 647 HG3 ARG 77 3HG ARG 77 -6.838 2.881 -1.984 648 HD2 ARG 77 2HD ARG 77 -6.068 4.337 -3.930 649 HD3 ARG 77 3HD ARG 77 -7.327 3.558 -4.899 650 HE ARG 77 HE ARG 77 -7.982 4.958 -2.371 651 HH11 ARG 77 1HH1 ARG 77 -8.425 4.693 -5.873 652 HH12 ARG 77 2HH1 ARG 77 -9.743 5.820 -5.894 653 HH21 ARG 77 1HH2 ARG 77 -9.709 6.389 -2.438 654 HH22 ARG 77 2HH2 ARG 77 -10.462 6.779 -3.951 655 H ILE 78 H ILE 78 -3.407 0.161 -4.178 656 HA ILE 78 HA ILE 78 -1.944 1.827 -5.922 657 HB ILE 78 HB ILE 78 0.075 0.493 -5.373 658 HG12 ILE 78 2HG1 ILE 78 -1.869 -1.427 -4.004 659 HG13 ILE 78 3HG1 ILE 78 -0.827 -1.787 -5.367 660 HG21 ILE 78 1HG2 ILE 78 -0.675 2.217 -3.792 661 HG22 ILE 78 2HG2 ILE 78 0.093 0.882 -2.933 662 HG23 ILE 78 3HG2 ILE 78 -1.668 1.031 -2.942 663 HD11 ILE 78 3HD1 ILE 78 0.033 -2.794 -3.353 664 HD12 ILE 78 1HD1 ILE 78 0.073 -1.232 -2.535 665 HD13 ILE 78 2HD1 ILE 78 1.145 -1.543 -3.905 666 H GLU 79 H GLU 79 -3.144 -1.472 -6.268 667 HA GLU 79 HA GLU 79 -1.957 -2.165 -8.723 668 HB2 GLU 79 2HB GLU 79 -3.140 -3.740 -7.206 669 HB3 GLU 79 3HB GLU 79 -4.676 -2.975 -7.596 670 HG2 GLU 79 2HG GLU 79 -4.476 -3.714 -9.928 671 HG3 GLU 79 3HG GLU 79 -2.896 -4.419 -9.589 672 H GLU 80 H GLU 80 -5.088 -0.608 -7.992 673 HA GLU 80 HA GLU 80 -6.030 -0.440 -10.660 674 HB2 GLU 80 2HB GLU 80 -7.425 -0.332 -8.554 675 HB3 GLU 80 3HB GLU 80 -6.836 1.301 -8.286 676 HG2 GLU 80 2HG GLU 80 -7.861 1.939 -10.496 677 HG3 GLU 80 3HG GLU 80 -8.559 0.326 -10.584 678 H GLU 81 H GLU 81 -4.019 1.720 -8.724 679 HA GLU 81 HA GLU 81 -4.391 4.022 -10.474 680 HB2 GLU 81 2HB GLU 81 -2.632 3.649 -8.018 681 HB3 GLU 81 3HB GLU 81 -2.893 5.173 -8.857 682 HG2 GLU 81 2HG GLU 81 -5.046 3.559 -7.468 683 HG3 GLU 81 3HG GLU 81 -4.232 4.955 -6.782 684 H LEU 82 H LEU 82 -1.641 1.940 -9.477 685 HA LEU 82 HA LEU 82 0.418 2.995 -11.009 686 HB2 LEU 82 2HB LEU 82 -0.167 0.164 -10.098 687 HB3 LEU 82 3HB LEU 82 1.266 0.502 -11.052 688 HG LEU 82 HG LEU 82 0.689 1.790 -8.350 689 HD11 LEU 82 1HD1 LEU 82 2.480 -0.584 -8.999 690 HD12 LEU 82 2HD1 LEU 82 0.982 -0.617 -8.063 691 HD13 LEU 82 3HD1 LEU 82 2.384 0.243 -7.441 692 HD21 LEU 82 3HD2 LEU 82 3.033 2.477 -8.431 693 HD22 LEU 82 1HD2 LEU 82 2.156 3.116 -9.819 694 HD23 LEU 82 2HD2 LEU 82 3.228 1.728 -10.018 695 H ARG 83 H ARG 83 -1.847 0.409 -11.856 696 HA ARG 83 HA ARG 83 -0.665 -0.144 -14.388 697 HB2 ARG 83 2HB ARG 83 -3.220 -1.116 -13.062 698 HB3 ARG 83 3HB ARG 83 -2.653 -1.726 -14.613 699 HG2 ARG 83 2HG ARG 83 -0.641 -2.633 -13.623 700 HG3 ARG 83 3HG ARG 83 -0.962 -1.817 -12.090 701 HD2 ARG 83 2HD ARG 83 -1.491 -4.155 -11.835 702 HD3 ARG 83 3HD ARG 83 -2.996 -3.239 -11.811 703 HE ARG 83 HE ARG 83 -3.552 -4.099 -13.935 704 HH11 ARG 83 1HH1 ARG 83 -0.495 -5.436 -12.789 705 HH12 ARG 83 2HH1 ARG 83 -0.535 -6.777 -13.884 706 HH21 ARG 83 1HH2 ARG 83 -3.633 -5.916 -15.291 707 HH22 ARG 83 2HH2 ARG 83 -2.317 -7.048 -15.304 708 H LYS 84 H LYS 84 -2.952 2.258 -13.501 709 HA LYS 84 HA LYS 84 -4.227 2.680 -16.013 710 HB2 LYS 84 2HB LYS 84 -3.501 4.576 -13.740 711 HB3 LYS 84 3HB LYS 84 -4.302 5.157 -15.196 712 HG2 LYS 84 2HG LYS 84 -6.228 3.677 -14.723 713 HG3 LYS 84 3HG LYS 84 -5.424 3.111 -13.254 714 HD2 LYS 84 2HD LYS 84 -5.438 5.419 -12.351 715 HD3 LYS 84 3HD LYS 84 -6.218 5.995 -13.828 716 HE2 LYS 84 2HE LYS 84 -7.871 5.758 -12.068 717 HE3 LYS 84 3HE LYS 84 -8.180 4.551 -13.319 718 HZ1 LYS 84 3HZ LYS 84 -7.153 2.885 -11.948 719 HZ2 LYS 84 1HZ LYS 84 -8.367 3.663 -11.063 720 HZ3 LYS 84 2HZ LYS 84 -6.740 4.026 -10.773 721 H ARG 85 H ARG 85 -1.196 3.910 -14.612 722 HA ARG 85 HA ARG 85 -0.592 5.483 -17.035 723 HB2 ARG 85 2HB ARG 85 -0.570 6.553 -14.779 724 HB3 ARG 85 3HB ARG 85 0.709 5.456 -14.273 725 HG2 ARG 85 2HG ARG 85 2.231 6.439 -15.938 726 HG3 ARG 85 3HG ARG 85 0.943 7.511 -16.497 727 HD2 ARG 85 2HD ARG 85 0.874 8.597 -14.285 728 HD3 ARG 85 3HD ARG 85 2.140 7.506 -13.701 729 HE ARG 85 HE ARG 85 3.417 8.575 -15.744 730 HH11 ARG 85 1HH1 ARG 85 1.386 10.237 -13.402 731 HH12 ARG 85 2HH1 ARG 85 2.254 11.731 -13.528 732 HH21 ARG 85 1HH2 ARG 85 4.555 10.525 -15.899 733 HH22 ARG 85 2HH2 ARG 85 4.066 11.895 -14.954 734 H ASP 86 H ASP 86 0.551 2.793 -15.173 735 HA ASP 86 HA ASP 86 2.597 2.034 -17.109 736 HB2 ASP 86 2HB ASP 86 3.199 2.481 -14.135 737 HB3 ASP 86 3HB ASP 86 4.278 1.646 -15.241 738 HA PRO 87 HA PRO 87 -0.093 -1.485 -15.609 739 HB2 PRO 87 2HB PRO 87 0.544 -2.603 -18.317 740 HB3 PRO 87 3HB PRO 87 -1.033 -2.329 -17.544 741 HG2 PRO 87 2HG PRO 87 -0.227 -0.757 -19.547 742 HG3 PRO 87 3HG PRO 87 -1.123 -0.083 -18.163 743 HD2 PRO 87 2HD PRO 87 1.860 -0.030 -18.683 744 HD3 PRO 87 3HD PRO 87 0.781 1.292 -18.167 745 H ASN 88 H ASN 88 3.171 -1.394 -16.786 746 HA ASN 88 HA ASN 88 4.042 -4.035 -16.262 747 HB2 ASN 88 2HB ASN 88 5.662 -1.459 -16.004 748 HB3 ASN 88 3HB ASN 88 6.328 -3.080 -16.156 749 HD21 ASN 88 1HD2 ASN 88 6.240 -4.119 -18.210 750 HD22 ASN 88 2HD2 ASN 88 5.943 -3.232 -19.662 751 H ALA 89 H ALA 89 3.445 -1.289 -14.185 752 HA ALA 89 HA ALA 89 4.889 -2.220 -11.899 753 HB1 ALA 89 3HB ALA 89 2.791 -0.040 -12.125 754 HB2 ALA 89 1HB ALA 89 4.538 0.168 -12.263 755 HB3 ALA 89 2HB ALA 89 3.828 -0.327 -10.724 756 H THR 90 H THR 90 4.131 -4.338 -11.710 757 HA THR 90 HA THR 90 1.397 -4.781 -10.696 758 HB THR 90 HB THR 90 3.492 -6.787 -11.669 759 HG1 THR 90 HG1 THR 90 2.493 -5.305 -13.267 760 HG21 THR 90 3HG2 THR 90 1.636 -8.410 -11.732 761 HG22 THR 90 1HG2 THR 90 0.539 -7.200 -11.056 762 HG23 THR 90 2HG2 THR 90 1.881 -7.816 -10.090 763 H ILE 91 H ILE 91 1.111 -5.641 -8.649 764 HA ILE 91 HA ILE 91 3.422 -5.363 -6.824 765 HB ILE 91 HB ILE 91 1.984 -4.593 -5.128 766 HG12 ILE 91 2HG1 ILE 91 0.131 -6.264 -5.340 767 HG13 ILE 91 3HG1 ILE 91 -0.463 -4.633 -5.091 768 HG21 ILE 91 1HG2 ILE 91 0.780 -2.672 -6.115 769 HG22 ILE 91 2HG2 ILE 91 0.908 -3.409 -7.713 770 HG23 ILE 91 3HG2 ILE 91 2.365 -2.904 -6.855 771 HD11 ILE 91 3HD1 ILE 91 -0.437 -6.136 -7.709 772 HD12 ILE 91 1HD1 ILE 91 -1.010 -4.481 -7.480 773 HD13 ILE 91 2HD1 ILE 91 -1.833 -5.817 -6.678 774 H THR 92 H THR 92 3.759 -6.915 -5.166 775 HA THR 92 HA THR 92 2.146 -9.402 -5.276 776 HB THR 92 HB THR 92 5.199 -9.249 -5.126 777 HG1 THR 92 HG1 THR 92 3.365 -9.929 -7.187 778 HG21 THR 92 3HG2 THR 92 4.362 -11.164 -3.810 779 HG22 THR 92 1HG2 THR 92 5.139 -11.719 -5.292 780 HG23 THR 92 2HG2 THR 92 3.378 -11.693 -5.179 781 H ARG 93 H ARG 93 1.164 -9.508 -3.387 782 HA ARG 93 HA ARG 93 2.207 -8.266 -0.972 783 HB2 ARG 93 2HB ARG 93 -0.108 -7.910 -1.368 784 HB3 ARG 93 3HB ARG 93 -0.421 -9.610 -1.694 785 HG2 ARG 93 2HG ARG 93 -0.176 -10.160 0.660 786 HG3 ARG 93 3HG ARG 93 0.349 -8.514 1.031 787 HD2 ARG 93 2HD ARG 93 -2.071 -9.080 1.594 788 HD3 ARG 93 3HD ARG 93 -1.824 -7.621 0.633 789 HE ARG 93 HE ARG 93 -2.386 -9.099 -1.353 790 HH11 ARG 93 1HH1 ARG 93 -3.815 -9.669 1.847 791 HH12 ARG 93 2HH1 ARG 93 -5.236 -10.429 1.194 792 HH21 ARG 93 1HH2 ARG 93 -4.233 -10.097 -2.164 793 HH22 ARG 93 2HH2 ARG 93 -5.466 -10.666 -1.079 794 H THR 94 H THR 94 3.649 -9.345 0.164 795 HA THR 94 HA THR 94 3.219 -12.182 0.898 796 HB THR 94 HB THR 94 5.822 -10.558 1.020 797 HG1 THR 94 HG1 THR 94 5.670 -10.903 -1.087 798 HG21 THR 94 3HG2 THR 94 5.709 -12.447 2.639 799 HG22 THR 94 1HG2 THR 94 6.927 -12.707 1.387 800 HG23 THR 94 2HG2 THR 94 5.381 -13.553 1.302 801 H VAL 95 H VAL 95 2.092 -12.107 2.816 802 HA VAL 95 HA VAL 95 2.304 -9.816 4.586 803 HB VAL 95 HB VAL 95 0.075 -10.730 4.116 804 HG11 VAL 95 1HG1 VAL 95 0.925 -13.249 5.560 805 HG12 VAL 95 2HG1 VAL 95 0.592 -13.093 3.834 806 HG13 VAL 95 3HG1 VAL 95 -0.710 -12.873 5.004 807 HG21 VAL 95 3HG2 VAL 95 -0.801 -10.794 6.427 808 HG22 VAL 95 1HG2 VAL 95 0.409 -9.524 6.226 809 HG23 VAL 95 2HG2 VAL 95 0.836 -11.027 7.047 810 H ARG 96 H ARG 96 3.634 -9.672 6.268 811 HA ARG 96 HA ARG 96 5.261 -12.025 7.004 812 HB2 ARG 96 2HB ARG 96 5.809 -9.051 7.391 813 HB3 ARG 96 3HB ARG 96 6.918 -10.362 7.793 814 HG2 ARG 96 2HG ARG 96 6.850 -11.028 5.326 815 HG3 ARG 96 3HG ARG 96 5.986 -9.515 5.032 816 HD2 ARG 96 2HD ARG 96 8.345 -9.206 4.561 817 HD3 ARG 96 3HD ARG 96 7.918 -8.267 5.996 818 HE ARG 96 HE ARG 96 8.812 -10.453 7.172 819 HH11 ARG 96 1HH1 ARG 96 10.258 -8.773 4.426 820 HH12 ARG 96 2HH1 ARG 96 11.870 -9.272 4.820 821 HH21 ARG 96 1HH2 ARG 96 10.930 -11.110 7.657 822 HH22 ARG 96 2HH2 ARG 96 12.254 -10.603 6.655 823 H THR 97 H THR 97 2.606 -10.462 8.210 824 HA THR 97 HA THR 97 3.113 -11.618 10.878 825 HB THR 97 HB THR 97 1.604 -9.018 10.331 826 HG1 THR 97 HG1 THR 97 4.166 -9.496 10.806 827 HG21 THR 97 3HG2 THR 97 0.486 -10.295 12.141 828 HG22 THR 97 1HG2 THR 97 1.304 -8.871 12.781 829 HG23 THR 97 2HG2 THR 97 2.029 -10.467 12.982 830 H GLU 98 H GLU 98 1.948 -13.372 10.873 831 HA GLU 98 HA GLU 98 -0.880 -13.459 10.349 832 HB2 GLU 98 2HB GLU 98 0.011 -13.684 8.028 833 HB3 GLU 98 3HB GLU 98 1.079 -14.980 8.546 834 HG2 GLU 98 2HG GLU 98 -1.021 -16.313 9.132 835 HG3 GLU 98 3HG GLU 98 -1.944 -15.058 8.310 836 H VAL 99 H VAL 99 -1.194 -14.319 12.382 837 HA VAL 99 HA VAL 99 0.593 -16.241 13.562 838 HB VAL 99 HB VAL 99 -1.008 -16.293 15.486 839 HG11 VAL 99 1HG1 VAL 99 -0.648 -13.965 16.215 840 HG12 VAL 99 2HG1 VAL 99 -0.267 -13.488 14.557 841 HG13 VAL 99 3HG1 VAL 99 0.785 -14.615 15.418 842 HG21 VAL 99 3HG2 VAL 99 -3.139 -15.972 14.296 843 HG22 VAL 99 1HG2 VAL 99 -2.674 -14.325 13.860 844 HG23 VAL 99 2HG2 VAL 99 -2.946 -14.751 15.554 845 H GLY 100 H GLY 100 0.360 -18.424 13.815 846 HA2 GLY 100 2HA GLY 100 -1.998 -19.928 13.167 847 HA3 GLY 100 3HA GLY 100 -0.841 -19.937 11.835 848 H SER 101 H SER 101 -0.258 -19.969 15.345 849 HA SER 101 HA SER 101 0.663 -22.775 15.238 850 HB2 SER 101 2HB SER 101 2.623 -22.146 16.699 851 HB3 SER 101 3HB SER 101 2.715 -21.444 15.088 852 HG SER 101 HG SER 101 2.584 -19.515 15.920 853 H SER 102 H SER 102 0.184 -23.969 17.051 854 HA SER 102 HA SER 102 -1.158 -22.660 19.337 855 HB2 SER 102 2HB SER 102 -2.923 -23.467 17.795 856 HB3 SER 102 3HB SER 102 -2.213 -25.079 17.786 857 HG SER 102 HG SER 102 -3.817 -25.171 19.265 858 H TRP 103 H TRP 103 -0.664 -23.533 21.281 859 HA TRP 103 HA TRP 103 1.157 -25.876 21.381 860 HB2 TRP 103 2HB TRP 103 2.163 -23.651 21.991 861 HB3 TRP 103 3HB TRP 103 0.990 -23.493 23.292 862 HD1 TRP 103 HD1 TRP 103 2.820 -26.839 22.657 863 HE1 TRP 103 HE1 TRP 103 4.382 -27.300 24.646 864 HE3 TRP 103 HE3 TRP 103 2.330 -22.385 25.137 865 HZ2 TRP 103 HZ2 TRP 103 5.301 -25.958 26.949 866 HZ3 TRP 103 HZ3 TRP 103 3.592 -22.047 27.227 867 HH2 TRP 103 HH2 TRP 103 5.049 -23.803 28.113 868 H SER 104 H SER 104 0.152 -27.612 22.160 869 HA SER 104 HA SER 104 -2.135 -27.349 24.030 870 HB2 SER 104 2HB SER 104 -1.752 -29.423 21.811 871 HB3 SER 104 3HB SER 104 -3.148 -29.284 22.880 872 HG SER 104 HG SER 104 -2.751 -28.070 20.566 873 H LEU 105 H LEU 105 -1.738 -28.265 25.951 874 HA LEU 105 HA LEU 105 0.263 -30.447 26.221 875 HB2 LEU 105 2HB LEU 105 -0.418 -28.394 28.375 876 HB3 LEU 105 3HB LEU 105 0.849 -29.601 28.410 877 HG LEU 105 HG LEU 105 1.910 -28.255 26.413 878 HD11 LEU 105 1HD1 LEU 105 1.381 -25.866 26.361 879 HD12 LEU 105 2HD1 LEU 105 0.086 -26.105 27.535 880 HD13 LEU 105 3HD1 LEU 105 -0.032 -26.830 25.931 881 HD21 LEU 105 3HD2 LEU 105 3.097 -26.769 27.970 882 HD22 LEU 105 1HD2 LEU 105 2.904 -28.380 28.658 883 HD23 LEU 105 2HD2 LEU 105 1.873 -27.058 29.208 884 H GLU 106 H GLU 106 -0.166 -31.908 28.142 885 HA GLU 106 HA GLU 106 -2.782 -31.779 29.409 886 HB2 GLU 106 2HB GLU 106 -3.606 -33.936 28.772 887 HB3 GLU 106 3HB GLU 106 -3.164 -33.135 27.278 888 HG2 GLU 106 2HG GLU 106 -1.499 -35.251 28.671 889 HG3 GLU 106 3HG GLU 106 -2.615 -35.567 27.351 890 H HIS 107 H HIS 107 -2.765 -32.658 31.460 891 HA HIS 107 HA HIS 107 -0.789 -34.658 32.213 892 HB2 HIS 107 2HB HIS 107 0.057 -33.468 34.181 893 HB3 HIS 107 3HB HIS 107 0.373 -32.506 32.746 894 HD1 HIS 107 HD1 HIS 107 -1.028 -30.289 32.496 895 HD2 HIS 107 HD2 HIS 107 -1.513 -32.230 36.128 896 HE1 HIS 107 HE1 HIS 107 -2.044 -28.585 34.035 897 HE2 HIS 107 HE2 HIS 107 -2.488 -29.842 36.158 898 H HIS 108 H HIS 108 -1.695 -36.124 33.510 899 HA HIS 108 HA HIS 108 -3.948 -35.455 35.250 900 HB2 HIS 108 2HB HIS 108 -5.108 -37.619 34.540 901 HB3 HIS 108 3HB HIS 108 -5.157 -36.314 33.370 902 HD1 HIS 108 HD1 HIS 108 -3.891 -36.660 31.142 903 HD2 HIS 108 HD2 HIS 108 -3.708 -39.938 33.705 904 HE1 HIS 108 HE1 HIS 108 -3.034 -38.568 29.747 905 HE2 HIS 108 HE2 HIS 108 -3.059 -40.557 31.281 906 H HIS 109 H HIS 109 -3.216 -35.929 37.181 907 HA HIS 109 HA HIS 109 -1.662 -38.411 37.656 908 HB2 HIS 109 2HB HIS 109 -0.269 -36.346 37.936 909 HB3 HIS 109 3HB HIS 109 -1.405 -35.742 39.135 910 HD1 HIS 109 HD1 HIS 109 1.476 -38.043 38.710 911 HD2 HIS 109 HD2 HIS 109 -1.306 -37.144 41.666 912 HE1 HIS 109 HE1 HIS 109 2.375 -39.061 40.817 913 HE2 HIS 109 HE2 HIS 109 0.765 -38.360 42.609 914 H HIS 110 H HIS 110 -2.822 -39.828 38.808 915 HA HIS 110 HA HIS 110 -4.467 -38.829 41.067 916 HB2 HIS 110 2HB HIS 110 -5.970 -40.734 40.851 917 HB3 HIS 110 3HB HIS 110 -5.934 -39.848 39.338 918 HD1 HIS 110 HD1 HIS 110 -5.812 -41.295 37.337 919 HD2 HIS 110 HD2 HIS 110 -4.244 -43.219 40.664 920 HE1 HIS 110 HE1 HIS 110 -5.277 -43.627 36.583 921 HE2 HIS 110 HE2 HIS 110 -4.534 -44.808 38.658 922 H HIS 111 H HIS 111 -4.441 -40.156 42.974 923 HA HIS 111 HA HIS 111 -2.283 -42.153 43.198 924 HB2 HIS 111 2HB HIS 111 -1.300 -41.132 45.142 925 HB3 HIS 111 3HB HIS 111 -1.447 -39.845 43.952 926 HD1 HIS 111 HD1 HIS 111 -2.591 -40.892 47.321 927 HD2 HIS 111 HD2 HIS 111 -3.411 -37.835 44.625 928 HE1 HIS 111 HE1 HIS 111 -3.850 -39.162 48.621 929 HE2 HIS 111 HE2 HIS 111 -4.413 -37.366 46.962 930 H HIS 112 H HIS 112 -2.583 -43.607 45.015 931 HA HIS 112 HA HIS 112 -5.317 -44.080 45.723 932 HB2 HIS 112 2HB HIS 112 -4.557 -46.000 46.990 933 HB3 HIS 112 3HB HIS 112 -3.684 -45.940 45.466 934 HD1 HIS 112 HD1 HIS 112 -3.193 -46.229 49.065 935 HD2 HIS 112 HD2 HIS 112 -0.886 -45.051 45.814 936 HE1 HIS 112 HE1 HIS 112 -0.813 -46.309 49.857 937 HE2 HIS 112 HE2 HIS 112 0.550 -45.515 47.908 Start of MODEL 15 1 H1 MET 1 1H MET 1 -5.982 -2.439 20.463 2 H2 MET 1 2H MET 1 -4.378 -2.637 20.958 3 H3 MET 1 3H MET 1 -5.309 -3.987 20.550 4 HA MET 1 HA MET 1 -5.430 -3.332 18.295 5 HB2 MET 1 2HB MET 1 -4.074 -1.329 17.512 6 HB3 MET 1 3HB MET 1 -5.508 -0.943 18.440 7 HG2 MET 1 2HG MET 1 -4.131 -0.484 20.422 8 HG3 MET 1 3HG MET 1 -2.676 -0.911 19.522 9 HE1 MET 1 3HE MET 1 -5.291 2.782 18.489 10 HE2 MET 1 1HE MET 1 -5.725 1.618 19.742 11 HE3 MET 1 2HE MET 1 -5.770 1.146 18.041 12 H LEU 2 H LEU 2 -4.171 -4.680 17.200 13 HA LEU 2 HA LEU 2 -1.436 -5.280 18.111 14 HB2 LEU 2 2HB LEU 2 -1.643 -7.275 16.574 15 HB3 LEU 2 3HB LEU 2 -2.773 -7.248 17.906 16 HG LEU 2 HG LEU 2 -4.539 -6.384 16.220 17 HD11 LEU 2 1HD1 LEU 2 -2.546 -7.387 14.163 18 HD12 LEU 2 2HD1 LEU 2 -3.059 -5.713 14.381 19 HD13 LEU 2 3HD1 LEU 2 -4.222 -6.923 13.858 20 HD21 LEU 2 3HD2 LEU 2 -5.083 -8.640 15.427 21 HD22 LEU 2 1HD2 LEU 2 -4.573 -8.658 17.116 22 HD23 LEU 2 2HD2 LEU 2 -3.461 -9.194 15.855 23 H THR 3 H THR 3 0.300 -5.393 16.554 24 HA THR 3 HA THR 3 -0.003 -3.606 14.223 25 HB THR 3 HB THR 3 2.519 -4.640 15.596 26 HG1 THR 3 HG1 THR 3 1.067 -2.896 16.577 27 HG21 THR 3 3HG2 THR 3 3.734 -3.026 14.182 28 HG22 THR 3 1HG2 THR 3 2.233 -2.619 13.343 29 HG23 THR 3 2HG2 THR 3 2.923 -4.238 13.191 30 H VAL 4 H VAL 4 -0.707 -4.801 12.512 31 HA VAL 4 HA VAL 4 0.717 -7.289 11.792 32 HB VAL 4 HB VAL 4 -1.804 -7.318 11.652 33 HG11 VAL 4 1HG1 VAL 4 -2.958 -6.166 9.814 34 HG12 VAL 4 2HG1 VAL 4 -1.462 -5.331 9.390 35 HG13 VAL 4 3HG1 VAL 4 -2.234 -5.023 10.947 36 HG21 VAL 4 3HG2 VAL 4 -1.955 -8.389 9.420 37 HG22 VAL 4 1HG2 VAL 4 -0.517 -8.904 10.309 38 HG23 VAL 4 2HG2 VAL 4 -0.371 -7.727 9.002 39 H GLU 5 H GLU 5 1.971 -7.346 9.974 40 HA GLU 5 HA GLU 5 2.490 -4.832 8.496 41 HB2 GLU 5 2HB GLU 5 4.566 -6.911 9.348 42 HB3 GLU 5 3HB GLU 5 4.886 -5.452 8.416 43 HG2 GLU 5 2HG GLU 5 4.268 -4.052 10.333 44 HG3 GLU 5 3HG GLU 5 3.851 -5.485 11.268 45 H VAL 6 H VAL 6 3.285 -5.194 6.333 46 HA VAL 6 HA VAL 6 3.073 -7.879 5.229 47 HB VAL 6 HB VAL 6 0.762 -7.125 5.120 48 HG11 VAL 6 1HG1 VAL 6 0.005 -5.195 3.821 49 HG12 VAL 6 2HG1 VAL 6 1.681 -4.739 3.499 50 HG13 VAL 6 3HG1 VAL 6 1.059 -4.702 5.150 51 HG21 VAL 6 3HG2 VAL 6 1.582 -8.533 3.299 52 HG22 VAL 6 1HG2 VAL 6 2.021 -7.102 2.364 53 HG23 VAL 6 2HG2 VAL 6 0.325 -7.437 2.726 54 H GLU 7 H GLU 7 4.499 -8.227 3.717 55 HA GLU 7 HA GLU 7 6.191 -6.139 2.643 56 HB2 GLU 7 2HB GLU 7 7.006 -8.409 3.514 57 HB3 GLU 7 3HB GLU 7 6.225 -9.142 2.121 58 HG2 GLU 7 2HG GLU 7 8.493 -8.936 1.535 59 HG3 GLU 7 3HG GLU 7 7.675 -7.644 0.670 60 H VAL 8 H VAL 8 5.302 -5.098 0.971 61 HA VAL 8 HA VAL 8 3.873 -6.581 -1.165 62 HB VAL 8 HB VAL 8 3.767 -3.573 -0.549 63 HG11 VAL 8 1HG1 VAL 8 2.101 -5.224 -2.491 64 HG12 VAL 8 2HG1 VAL 8 3.376 -4.083 -2.928 65 HG13 VAL 8 3HG1 VAL 8 1.901 -3.501 -2.155 66 HG21 VAL 8 3HG2 VAL 8 1.490 -3.940 0.309 67 HG22 VAL 8 1HG2 VAL 8 2.665 -4.866 1.247 68 HG23 VAL 8 2HG2 VAL 8 1.651 -5.681 0.054 69 H LYS 9 H LYS 9 5.402 -7.101 -2.627 70 HA LYS 9 HA LYS 9 7.671 -5.286 -3.153 71 HB2 LYS 9 2HB LYS 9 8.101 -7.660 -2.359 72 HB3 LYS 9 3HB LYS 9 7.367 -8.240 -3.849 73 HG2 LYS 9 2HG LYS 9 9.158 -6.916 -5.108 74 HG3 LYS 9 3HG LYS 9 9.936 -6.654 -3.543 75 HD2 LYS 9 2HD LYS 9 10.977 -8.562 -4.681 76 HD3 LYS 9 3HD LYS 9 10.121 -9.124 -3.240 77 HE2 LYS 9 2HE LYS 9 8.193 -9.785 -4.681 78 HE3 LYS 9 3HE LYS 9 9.106 -9.274 -6.102 79 HZ1 LYS 9 3HZ LYS 9 9.883 -11.451 -4.234 80 HZ2 LYS 9 1HZ LYS 9 10.775 -10.942 -5.580 81 HZ3 LYS 9 2HZ LYS 9 9.254 -11.643 -5.791 82 H ILE 10 H ILE 10 7.220 -3.994 -4.812 83 HA ILE 10 HA ILE 10 5.237 -4.780 -6.853 84 HB ILE 10 HB ILE 10 6.303 -1.968 -6.293 85 HG12 ILE 10 2HG1 ILE 10 3.771 -3.233 -5.131 86 HG13 ILE 10 3HG1 ILE 10 5.235 -2.882 -4.224 87 HG21 ILE 10 1HG2 ILE 10 3.808 -2.939 -7.750 88 HG22 ILE 10 2HG2 ILE 10 5.258 -2.266 -8.500 89 HG23 ILE 10 3HG2 ILE 10 4.243 -1.253 -7.477 90 HD11 ILE 10 3HD1 ILE 10 3.436 -0.842 -5.526 91 HD12 ILE 10 1HD1 ILE 10 4.913 -0.492 -4.622 92 HD13 ILE 10 2HD1 ILE 10 3.532 -1.226 -3.808 93 H THR 11 H THR 11 6.261 -5.649 -8.597 94 HA THR 11 HA THR 11 8.818 -4.557 -9.539 95 HB THR 11 HB THR 11 8.691 -6.990 -9.285 96 HG1 THR 11 HG1 THR 11 9.065 -5.877 -11.841 97 HG21 THR 11 3HG2 THR 11 7.304 -8.418 -10.742 98 HG22 THR 11 1HG2 THR 11 6.498 -6.980 -11.385 99 HG23 THR 11 2HG2 THR 11 6.312 -7.412 -9.685 100 H ALA 12 H ALA 12 8.858 -3.083 -11.091 101 HA ALA 12 HA ALA 12 6.769 -2.780 -13.128 102 HB1 ALA 12 3HB ALA 12 5.930 -1.457 -11.199 103 HB2 ALA 12 1HB ALA 12 6.379 -0.399 -12.540 104 HB3 ALA 12 2HB ALA 12 7.450 -0.562 -11.146 105 H ASP 13 H ASP 13 7.446 -1.061 -14.762 106 HA ASP 13 HA ASP 13 10.239 -1.368 -15.438 107 HB2 ASP 13 2HB ASP 13 8.633 -1.262 -17.265 108 HB3 ASP 13 3HB ASP 13 8.060 0.321 -16.752 109 H ASP 14 H ASP 14 8.233 1.500 -14.640 110 HA ASP 14 HA ASP 14 10.687 3.110 -14.291 111 HB2 ASP 14 2HB ASP 14 8.698 3.906 -15.743 112 HB3 ASP 14 3HB ASP 14 7.828 4.165 -14.238 113 H GLU 15 H GLU 15 11.370 2.321 -12.290 114 HA GLU 15 HA GLU 15 9.837 1.946 -9.972 115 HB2 GLU 15 2HB GLU 15 11.920 1.779 -8.741 116 HB3 GLU 15 3HB GLU 15 12.142 1.014 -10.306 117 HG2 GLU 15 2HG GLU 15 13.135 3.771 -9.532 118 HG3 GLU 15 3HG GLU 15 14.117 2.314 -9.599 119 H ASN 16 H ASN 16 11.257 4.908 -11.263 120 HA ASN 16 HA ASN 16 11.205 6.479 -8.908 121 HB2 ASN 16 2HB ASN 16 11.032 7.328 -11.821 122 HB3 ASN 16 3HB ASN 16 11.208 8.462 -10.485 123 HD21 ASN 16 1HD2 ASN 16 13.099 6.819 -8.953 124 HD22 ASN 16 2HD2 ASN 16 14.581 6.867 -9.837 125 H LYS 17 H LYS 17 8.923 6.435 -11.663 126 HA LYS 17 HA LYS 17 6.953 8.057 -10.409 127 HB2 LYS 17 2HB LYS 17 6.706 6.127 -12.771 128 HB3 LYS 17 3HB LYS 17 5.435 7.222 -12.261 129 HG2 LYS 17 2HG LYS 17 8.143 8.259 -13.114 130 HG3 LYS 17 3HG LYS 17 6.894 7.866 -14.288 131 HD2 LYS 17 2HD LYS 17 6.666 10.186 -13.972 132 HD3 LYS 17 3HD LYS 17 5.379 9.503 -12.981 133 HE2 LYS 17 2HE LYS 17 6.509 11.343 -11.816 134 HE3 LYS 17 3HE LYS 17 6.775 9.821 -10.968 135 HZ1 LYS 17 3HZ LYS 17 8.700 11.207 -12.755 136 HZ2 LYS 17 1HZ LYS 17 8.958 9.688 -12.061 137 HZ3 LYS 17 2HZ LYS 17 8.807 11.054 -11.079 138 H ALA 18 H ALA 18 7.548 4.569 -10.599 139 HA ALA 18 HA ALA 18 5.131 3.545 -9.685 140 HB1 ALA 18 3HB ALA 18 7.904 2.446 -9.120 141 HB2 ALA 18 1HB ALA 18 6.926 2.106 -10.547 142 HB3 ALA 18 2HB ALA 18 6.389 1.553 -8.957 143 H GLU 19 H GLU 19 7.983 4.595 -7.833 144 HA GLU 19 HA GLU 19 6.913 4.151 -5.253 145 HB2 GLU 19 2HB GLU 19 9.329 4.391 -5.561 146 HB3 GLU 19 3HB GLU 19 9.135 6.042 -6.156 147 HG2 GLU 19 2HG GLU 19 8.196 6.696 -3.943 148 HG3 GLU 19 3HG GLU 19 8.484 5.063 -3.354 149 H GLU 20 H GLU 20 7.261 7.174 -7.167 150 HA GLU 20 HA GLU 20 6.295 8.990 -5.288 151 HB2 GLU 20 2HB GLU 20 6.263 9.134 -8.329 152 HB3 GLU 20 3HB GLU 20 5.923 10.510 -7.284 153 HG2 GLU 20 2HG GLU 20 8.178 10.382 -6.339 154 HG3 GLU 20 3HG GLU 20 8.524 8.951 -7.292 155 H ILE 21 H ILE 21 4.531 7.315 -7.853 156 HA ILE 21 HA ILE 21 1.947 8.300 -7.423 157 HB ILE 21 HB ILE 21 2.957 5.661 -8.585 158 HG12 ILE 21 2HG1 ILE 21 1.665 8.068 -9.962 159 HG13 ILE 21 3HG1 ILE 21 3.397 7.770 -9.898 160 HG21 ILE 21 1HG2 ILE 21 0.668 5.229 -9.436 161 HG22 ILE 21 2HG2 ILE 21 0.077 6.593 -8.491 162 HG23 ILE 21 3HG2 ILE 21 0.748 5.185 -7.670 163 HD11 ILE 21 3HD1 ILE 21 3.070 5.702 -11.180 164 HD12 ILE 21 1HD1 ILE 21 2.508 7.133 -12.044 165 HD13 ILE 21 2HD1 ILE 21 1.342 6.050 -11.282 166 H VAL 22 H VAL 22 3.434 5.198 -6.271 167 HA VAL 22 HA VAL 22 1.192 4.353 -4.796 168 HB VAL 22 HB VAL 22 4.123 3.520 -4.662 169 HG11 VAL 22 1HG1 VAL 22 3.477 1.573 -3.285 170 HG12 VAL 22 2HG1 VAL 22 1.839 2.208 -3.134 171 HG13 VAL 22 3HG1 VAL 22 3.190 3.082 -2.415 172 HG21 VAL 22 3HG2 VAL 22 2.853 2.906 -6.694 173 HG22 VAL 22 1HG2 VAL 22 1.639 2.097 -5.701 174 HG23 VAL 22 2HG2 VAL 22 3.289 1.473 -5.765 175 H LYS 23 H LYS 23 3.859 6.459 -3.829 176 HA LYS 23 HA LYS 23 3.395 6.367 -1.022 177 HB2 LYS 23 2HB LYS 23 4.762 8.537 -2.674 178 HB3 LYS 23 3HB LYS 23 4.742 8.470 -0.916 179 HG2 LYS 23 2HG LYS 23 5.821 6.131 -1.183 180 HG3 LYS 23 3HG LYS 23 6.141 6.627 -2.842 181 HD2 LYS 23 2HD LYS 23 8.115 7.095 -1.545 182 HD3 LYS 23 3HD LYS 23 7.358 8.640 -1.936 183 HE2 LYS 23 2HE LYS 23 6.362 8.714 0.327 184 HE3 LYS 23 3HE LYS 23 7.125 7.169 0.710 185 HZ1 LYS 23 3HZ LYS 23 9.286 8.189 0.413 186 HZ2 LYS 23 1HZ LYS 23 8.393 9.035 1.568 187 HZ3 LYS 23 2HZ LYS 23 8.575 9.672 0.016 188 H ARG 24 H ARG 24 2.451 8.781 -3.562 189 HA ARG 24 HA ARG 24 0.821 10.342 -1.886 190 HB2 ARG 24 2HB ARG 24 1.377 11.134 -4.179 191 HB3 ARG 24 3HB ARG 24 0.376 9.857 -4.873 192 HG2 ARG 24 2HG ARG 24 -1.615 10.828 -3.725 193 HG3 ARG 24 3HG ARG 24 -0.603 12.115 -3.087 194 HD2 ARG 24 2HD ARG 24 -0.220 12.958 -5.375 195 HD3 ARG 24 3HD ARG 24 -1.205 11.632 -6.026 196 HE ARG 24 HE ARG 24 -2.731 12.941 -4.084 197 HH11 ARG 24 1HH1 ARG 24 -1.433 13.716 -7.276 198 HH12 ARG 24 2HH1 ARG 24 -2.699 14.854 -7.624 199 HH21 ARG 24 1HH2 ARG 24 -4.360 14.440 -4.553 200 HH22 ARG 24 2HH2 ARG 24 -4.357 15.262 -6.081 201 H VAL 25 H VAL 25 0.209 7.318 -3.581 202 HA VAL 25 HA VAL 25 -2.608 7.296 -3.386 203 HB VAL 25 HB VAL 25 -0.575 5.070 -3.861 204 HG11 VAL 25 1HG1 VAL 25 -2.473 3.649 -4.580 205 HG12 VAL 25 2HG1 VAL 25 -3.604 4.871 -4.000 206 HG13 VAL 25 3HG1 VAL 25 -2.552 4.032 -2.859 207 HG21 VAL 25 3HG2 VAL 25 -0.793 6.788 -5.640 208 HG22 VAL 25 1HG2 VAL 25 -2.520 6.451 -5.750 209 HG23 VAL 25 2HG2 VAL 25 -1.347 5.209 -6.192 210 H ILE 26 H ILE 26 -0.065 5.819 -1.293 211 HA ILE 26 HA ILE 26 -1.880 4.508 0.486 212 HB ILE 26 HB ILE 26 0.984 5.435 1.050 213 HG12 ILE 26 2HG1 ILE 26 0.109 2.617 0.267 214 HG13 ILE 26 3HG1 ILE 26 0.603 3.804 -0.930 215 HG21 ILE 26 1HG2 ILE 26 0.992 3.705 2.839 216 HG22 ILE 26 2HG2 ILE 26 -0.712 3.377 2.528 217 HG23 ILE 26 3HG2 ILE 26 -0.220 4.955 3.145 218 HD11 ILE 26 3HD1 ILE 26 2.317 2.783 1.323 219 HD12 ILE 26 1HD1 ILE 26 2.798 3.960 0.098 220 HD13 ILE 26 2HD1 ILE 26 2.413 2.304 -0.370 221 H ASP 27 H ASP 27 -0.474 7.723 0.330 222 HA ASP 27 HA ASP 27 -1.541 8.764 2.772 223 HB2 ASP 27 2HB ASP 27 0.319 9.852 1.526 224 HB3 ASP 27 3HB ASP 27 -0.768 10.219 0.193 225 H GLU 28 H GLU 28 -2.811 8.403 -0.506 226 HA GLU 28 HA GLU 28 -5.254 9.874 -0.047 227 HB2 GLU 28 2HB GLU 28 -4.436 7.995 -2.295 228 HB3 GLU 28 3HB GLU 28 -5.960 8.866 -2.263 229 HG2 GLU 28 2HG GLU 28 -3.208 10.114 -2.374 230 HG3 GLU 28 3HG GLU 28 -4.312 9.936 -3.731 231 H VAL 29 H VAL 29 -4.180 6.579 0.448 232 HA VAL 29 HA VAL 29 -6.833 5.434 0.717 233 HB VAL 29 HB VAL 29 -4.090 4.310 1.502 234 HG11 VAL 29 1HG1 VAL 29 -5.244 2.121 1.747 235 HG12 VAL 29 2HG1 VAL 29 -6.798 2.920 1.526 236 HG13 VAL 29 3HG1 VAL 29 -5.803 3.301 2.933 237 HG21 VAL 29 3HG2 VAL 29 -4.418 4.549 -0.935 238 HG22 VAL 29 1HG2 VAL 29 -5.885 3.575 -0.837 239 HG23 VAL 29 2HG2 VAL 29 -4.319 2.859 -0.452 240 H GLU 30 H GLU 30 -4.250 6.678 2.752 241 HA GLU 30 HA GLU 30 -5.209 5.921 5.271 242 HB2 GLU 30 2HB GLU 30 -2.920 6.669 4.941 243 HB3 GLU 30 3HB GLU 30 -3.453 8.275 4.453 244 HG2 GLU 30 2HG GLU 30 -4.265 8.721 6.716 245 HG3 GLU 30 3HG GLU 30 -3.857 7.084 7.219 246 H ARG 31 H ARG 31 -5.872 8.821 3.307 247 HA ARG 31 HA ARG 31 -7.464 10.127 5.307 248 HB2 ARG 31 2HB ARG 31 -8.156 11.671 3.474 249 HB3 ARG 31 3HB ARG 31 -6.412 11.500 3.626 250 HG2 ARG 31 2HG ARG 31 -6.325 10.045 1.695 251 HG3 ARG 31 3HG ARG 31 -8.083 10.027 1.573 252 HD2 ARG 31 2HD ARG 31 -6.385 12.522 1.267 253 HD3 ARG 31 3HD ARG 31 -6.945 11.528 -0.081 254 HE ARG 31 HE ARG 31 -8.923 12.660 1.779 255 HH11 ARG 31 1HH1 ARG 31 -7.492 12.692 -1.453 256 HH12 ARG 31 2HH1 ARG 31 -8.795 13.621 -2.133 257 HH21 ARG 31 1HH2 ARG 31 -10.630 13.795 0.865 258 HH22 ARG 31 2HH2 ARG 31 -10.579 14.246 -0.812 259 H GLU 32 H GLU 32 -8.172 7.595 2.999 260 HA GLU 32 HA GLU 32 -11.061 7.770 3.270 261 HB2 GLU 32 2HB GLU 32 -9.349 5.402 2.340 262 HB3 GLU 32 3HB GLU 32 -11.085 5.577 2.115 263 HG2 GLU 32 2HG GLU 32 -10.713 7.484 0.603 264 HG3 GLU 32 3HG GLU 32 -8.977 7.359 0.863 265 H VAL 33 H VAL 33 -8.373 6.063 4.768 266 HA VAL 33 HA VAL 33 -9.922 4.164 6.255 267 HB VAL 33 HB VAL 33 -6.957 4.885 6.238 268 HG11 VAL 33 1HG1 VAL 33 -7.441 4.164 8.537 269 HG12 VAL 33 2HG1 VAL 33 -6.505 2.933 7.689 270 HG13 VAL 33 3HG1 VAL 33 -8.239 2.708 7.933 271 HG21 VAL 33 3HG2 VAL 33 -7.799 3.644 4.277 272 HG22 VAL 33 1HG2 VAL 33 -8.437 2.380 5.334 273 HG23 VAL 33 2HG2 VAL 33 -6.695 2.646 5.224 274 H GLN 34 H GLN 34 -8.501 7.343 7.062 275 HA GLN 34 HA GLN 34 -8.715 7.046 9.892 276 HB2 GLN 34 2HB GLN 34 -8.599 9.632 8.291 277 HB3 GLN 34 3HB GLN 34 -8.368 9.498 10.027 278 HG2 GLN 34 2HG GLN 34 -6.561 8.337 7.895 279 HG3 GLN 34 3HG GLN 34 -6.235 9.768 8.852 280 HE21 GLN 34 1HE2 GLN 34 -6.363 6.282 8.853 281 HE22 GLN 34 2HE2 GLN 34 -5.525 6.056 10.348 282 H LYS 35 H LYS 35 -11.029 7.775 7.432 283 HA LYS 35 HA LYS 35 -13.012 9.081 9.058 284 HB2 LYS 35 2HB LYS 35 -13.386 7.563 6.434 285 HB3 LYS 35 3HB LYS 35 -14.523 8.700 7.152 286 HG2 LYS 35 2HG LYS 35 -12.830 10.524 6.838 287 HG3 LYS 35 3HG LYS 35 -11.784 9.354 6.023 288 HD2 LYS 35 2HD LYS 35 -13.002 10.656 4.351 289 HD3 LYS 35 3HD LYS 35 -13.567 8.984 4.314 290 HE2 LYS 35 2HE LYS 35 -15.503 9.702 5.784 291 HE3 LYS 35 3HE LYS 35 -14.965 11.370 5.564 292 HZ1 LYS 35 3HZ LYS 35 -15.295 11.134 3.190 293 HZ2 LYS 35 1HZ LYS 35 -16.722 10.773 4.016 294 HZ3 LYS 35 2HZ LYS 35 -15.776 9.524 3.376 295 H GLN 36 H GLN 36 -12.576 5.794 7.772 296 HA GLN 36 HA GLN 36 -14.934 4.716 9.037 297 HB2 GLN 36 2HB GLN 36 -12.627 3.278 7.638 298 HB3 GLN 36 3HB GLN 36 -14.195 2.585 8.021 299 HG2 GLN 36 2HG GLN 36 -13.657 4.816 6.043 300 HG3 GLN 36 3HG GLN 36 -14.072 3.145 5.657 301 HE21 GLN 36 1HE2 GLN 36 -16.214 2.445 5.992 302 HE22 GLN 36 2HE2 GLN 36 -17.527 3.548 6.176 303 H TYR 37 H TYR 37 -11.459 4.279 9.412 304 HA TYR 37 HA TYR 37 -11.712 3.102 12.098 305 HB2 TYR 37 2HB TYR 37 -9.236 3.063 10.314 306 HB3 TYR 37 3HB TYR 37 -9.575 2.045 11.707 307 HD1 TYR 37 HD1 TYR 37 -11.060 0.067 11.472 308 HD2 TYR 37 HD2 TYR 37 -10.201 2.557 8.108 309 HE1 TYR 37 HE1 TYR 37 -11.943 -1.658 9.962 310 HE2 TYR 37 HE2 TYR 37 -11.085 0.824 6.603 311 HH TYR 37 HH TYR 37 -12.914 -1.811 7.729 312 HA PRO 38 HA PRO 38 -10.203 7.445 12.814 313 HB2 PRO 38 2HB PRO 38 -11.183 7.747 15.350 314 HB3 PRO 38 3HB PRO 38 -12.202 7.896 13.905 315 HG2 PRO 38 2HG PRO 38 -11.875 5.533 15.728 316 HG3 PRO 38 3HG PRO 38 -13.369 6.243 15.072 317 HD2 PRO 38 2HD PRO 38 -12.224 4.037 13.977 318 HD3 PRO 38 3HD PRO 38 -13.095 5.234 12.990 319 H ASN 39 H ASN 39 -9.521 4.529 14.648 320 HA ASN 39 HA ASN 39 -7.069 5.770 15.791 321 HB2 ASN 39 2HB ASN 39 -8.806 3.534 16.932 322 HB3 ASN 39 3HB ASN 39 -7.247 4.005 17.600 323 HD21 ASN 39 1HD2 ASN 39 -7.662 6.887 17.225 324 HD22 ASN 39 2HD2 ASN 39 -8.840 7.356 18.397 325 H ALA 40 H ALA 40 -7.297 4.520 13.121 326 HA ALA 40 HA ALA 40 -5.461 2.215 13.428 327 HB1 ALA 40 3HB ALA 40 -5.860 1.799 11.040 328 HB2 ALA 40 1HB ALA 40 -6.873 3.243 10.939 329 HB3 ALA 40 2HB ALA 40 -7.380 1.872 11.928 330 H THR 41 H THR 41 -3.399 2.219 12.543 331 HA THR 41 HA THR 41 -2.273 4.809 11.624 332 HB THR 41 HB THR 41 -0.822 2.685 13.293 333 HG1 THR 41 HG1 THR 41 -2.481 4.781 14.039 334 HG21 THR 41 3HG2 THR 41 0.685 4.135 11.955 335 HG22 THR 41 1HG2 THR 41 0.846 4.448 13.685 336 HG23 THR 41 2HG2 THR 41 -0.066 5.566 12.669 337 H ILE 42 H ILE 42 -1.406 4.680 9.596 338 HA ILE 42 HA ILE 42 -0.558 2.039 8.496 339 HB ILE 42 HB ILE 42 -1.412 4.497 6.875 340 HG12 ILE 42 2HG1 ILE 42 -3.079 1.986 7.369 341 HG13 ILE 42 3HG1 ILE 42 -3.349 3.531 8.167 342 HG21 ILE 42 1HG2 ILE 42 -0.914 1.614 6.011 343 HG22 ILE 42 2HG2 ILE 42 0.149 2.989 5.698 344 HG23 ILE 42 3HG2 ILE 42 -1.450 2.928 4.958 345 HD11 ILE 42 3HD1 ILE 42 -4.890 3.208 6.335 346 HD12 ILE 42 1HD1 ILE 42 -3.552 3.030 5.200 347 HD13 ILE 42 2HD1 ILE 42 -3.825 4.574 6.016 348 H THR 43 H THR 43 1.667 2.092 8.921 349 HA THR 43 HA THR 43 3.251 4.419 8.049 350 HB THR 43 HB THR 43 4.296 1.862 9.355 351 HG1 THR 43 HG1 THR 43 2.709 3.664 10.463 352 HG21 THR 43 3HG2 THR 43 5.490 4.657 9.199 353 HG22 THR 43 1HG2 THR 43 6.020 3.275 8.239 354 HG23 THR 43 2HG2 THR 43 6.218 3.262 9.994 355 H ARG 44 H ARG 44 4.855 4.199 6.417 356 HA ARG 44 HA ARG 44 4.860 1.814 4.733 357 HB2 ARG 44 2HB ARG 44 4.440 3.194 2.654 358 HB3 ARG 44 3HB ARG 44 3.044 2.956 3.685 359 HG2 ARG 44 2HG ARG 44 4.675 5.514 3.766 360 HG3 ARG 44 3HG ARG 44 3.347 5.270 2.636 361 HD2 ARG 44 2HD ARG 44 1.850 4.813 4.645 362 HD3 ARG 44 3HD ARG 44 3.186 5.346 5.668 363 HE ARG 44 HE ARG 44 2.901 7.433 3.989 364 HH11 ARG 44 1HH1 ARG 44 0.532 5.675 5.923 365 HH12 ARG 44 2HH1 ARG 44 -0.499 7.052 6.118 366 HH21 ARG 44 1HH2 ARG 44 1.518 9.232 4.278 367 HH22 ARG 44 2HH2 ARG 44 0.052 9.058 5.192 368 H THR 45 H THR 45 6.678 1.576 3.492 369 HA THR 45 HA THR 45 8.735 3.662 3.394 370 HB THR 45 HB THR 45 9.400 0.870 4.468 371 HG1 THR 45 HG1 THR 45 8.839 3.289 5.847 372 HG21 THR 45 3HG2 THR 45 11.559 1.892 5.081 373 HG22 THR 45 1HG2 THR 45 11.045 3.427 4.373 374 HG23 THR 45 2HG2 THR 45 11.280 2.012 3.344 375 H LEU 46 H LEU 46 9.403 3.710 1.317 376 HA LEU 46 HA LEU 46 9.169 1.278 -0.364 377 HB2 LEU 46 2HB LEU 46 8.897 4.197 -1.215 378 HB3 LEU 46 3HB LEU 46 8.881 2.816 -2.295 379 HG LEU 46 HG LEU 46 6.798 2.006 -0.943 380 HD11 LEU 46 1HD1 LEU 46 6.768 4.920 -0.111 381 HD12 LEU 46 2HD1 LEU 46 6.939 3.521 0.952 382 HD13 LEU 46 3HD1 LEU 46 5.432 3.781 0.079 383 HD21 LEU 46 3HD2 LEU 46 5.271 3.351 -2.334 384 HD22 LEU 46 1HD2 LEU 46 6.645 2.729 -3.245 385 HD23 LEU 46 2HD2 LEU 46 6.608 4.422 -2.755 386 H THR 47 H THR 47 11.059 0.457 -0.939 387 HA THR 47 HA THR 47 13.517 2.092 -1.158 388 HB THR 47 HB THR 47 13.203 -0.954 -1.021 389 HG1 THR 47 HG1 THR 47 13.268 -0.811 1.085 390 HG21 THR 47 3HG2 THR 47 15.585 -0.994 -0.439 391 HG22 THR 47 1HG2 THR 47 15.674 0.759 -0.617 392 HG23 THR 47 2HG2 THR 47 15.349 -0.257 -2.024 393 H ARG 48 H ARG 48 14.796 1.789 -3.187 394 HA ARG 48 HA ARG 48 13.237 0.646 -5.453 395 HB2 ARG 48 2HB ARG 48 15.145 3.035 -5.615 396 HB3 ARG 48 3HB ARG 48 14.285 2.303 -6.963 397 HG2 ARG 48 2HG ARG 48 13.024 4.213 -6.516 398 HG3 ARG 48 3HG ARG 48 12.119 2.949 -5.679 399 HD2 ARG 48 2HD ARG 48 12.308 4.985 -4.321 400 HD3 ARG 48 3HD ARG 48 13.129 3.635 -3.536 401 HE ARG 48 HE ARG 48 15.198 4.738 -4.740 402 HH11 ARG 48 1HH1 ARG 48 12.582 6.478 -3.109 403 HH12 ARG 48 2HH1 ARG 48 13.603 7.821 -2.682 404 HH21 ARG 48 1HH2 ARG 48 16.523 6.492 -4.124 405 HH22 ARG 48 2HH2 ARG 48 15.821 7.829 -3.256 406 H ASP 49 H ASP 49 14.210 -0.975 -6.486 407 HA ASP 49 HA ASP 49 17.133 -1.176 -6.671 408 HB2 ASP 49 2HB ASP 49 15.359 -3.357 -5.486 409 HB3 ASP 49 3HB ASP 49 16.962 -3.698 -6.128 410 H ASP 50 H ASP 50 17.489 -1.228 -8.767 411 HA ASP 50 HA ASP 50 17.522 -1.726 -10.962 412 HB2 ASP 50 2HB ASP 50 16.063 -4.275 -10.142 413 HB3 ASP 50 3HB ASP 50 16.786 -4.000 -11.722 414 H GLY 51 H GLY 51 14.362 -3.184 -10.339 415 HA2 GLY 51 2HA GLY 51 12.863 -0.868 -11.283 416 HA3 GLY 51 3HA GLY 51 12.793 -2.298 -12.324 417 H THR 52 H THR 52 13.038 -2.138 -8.804 418 HA THR 52 HA THR 52 10.309 -3.193 -8.482 419 HB THR 52 HB THR 52 12.816 -4.512 -7.327 420 HG1 THR 52 HG1 THR 52 11.779 -4.921 -9.629 421 HG21 THR 52 3HG2 THR 52 9.892 -5.226 -6.863 422 HG22 THR 52 1HG2 THR 52 11.000 -4.573 -5.656 423 HG23 THR 52 2HG2 THR 52 11.277 -6.180 -6.329 424 H VAL 53 H VAL 53 9.355 -1.904 -7.105 425 HA VAL 53 HA VAL 53 10.749 -0.378 -5.055 426 HB VAL 53 HB VAL 53 7.772 -0.508 -5.772 427 HG11 VAL 53 1HG1 VAL 53 9.238 1.459 -3.977 428 HG12 VAL 53 2HG1 VAL 53 8.119 0.204 -3.444 429 HG13 VAL 53 3HG1 VAL 53 7.534 1.543 -4.431 430 HG21 VAL 53 3HG2 VAL 53 8.127 1.674 -6.880 431 HG22 VAL 53 1HG2 VAL 53 9.108 0.406 -7.622 432 HG23 VAL 53 2HG2 VAL 53 9.854 1.578 -6.532 433 H GLU 54 H GLU 54 11.095 -1.277 -3.087 434 HA GLU 54 HA GLU 54 9.555 -3.600 -2.157 435 HB2 GLU 54 2HB GLU 54 11.961 -3.797 -1.918 436 HB3 GLU 54 3HB GLU 54 12.074 -2.228 -1.136 437 HG2 GLU 54 2HG GLU 54 10.728 -3.165 0.781 438 HG3 GLU 54 3HG GLU 54 10.836 -4.744 0.014 439 H LEU 55 H LEU 55 7.620 -2.871 -1.418 440 HA LEU 55 HA LEU 55 7.450 -0.496 0.330 441 HB2 LEU 55 2HB LEU 55 5.909 -0.454 -1.536 442 HB3 LEU 55 3HB LEU 55 5.366 -2.092 -1.216 443 HG LEU 55 HG LEU 55 4.261 -1.329 0.869 444 HD11 LEU 55 1HD1 LEU 55 5.140 1.455 0.085 445 HD12 LEU 55 2HD1 LEU 55 5.702 0.531 1.478 446 HD13 LEU 55 3HD1 LEU 55 4.022 1.052 1.389 447 HD21 LEU 55 3HD2 LEU 55 3.434 0.242 -1.590 448 HD22 LEU 55 1HD2 LEU 55 2.424 -0.051 -0.170 449 HD23 LEU 55 2HD2 LEU 55 2.939 -1.402 -1.178 450 H ARG 56 H ARG 56 7.461 -0.864 2.481 451 HA ARG 56 HA ARG 56 6.190 -3.315 3.560 452 HB2 ARG 56 2HB ARG 56 8.318 -1.476 4.717 453 HB3 ARG 56 3HB ARG 56 7.299 -2.438 5.783 454 HG2 ARG 56 2HG ARG 56 9.252 -3.713 5.520 455 HG3 ARG 56 3HG ARG 56 8.074 -4.488 4.468 456 HD2 ARG 56 2HD ARG 56 9.613 -4.359 2.799 457 HD3 ARG 56 3HD ARG 56 9.401 -2.610 2.802 458 HE ARG 56 HE ARG 56 11.414 -2.375 3.870 459 HH11 ARG 56 1HH1 ARG 56 10.575 -5.802 3.913 460 HH12 ARG 56 2HH1 ARG 56 12.135 -6.287 4.505 461 HH21 ARG 56 1HH2 ARG 56 13.438 -3.033 4.699 462 HH22 ARG 56 2HH2 ARG 56 13.742 -4.725 4.948 463 H ILE 57 H ILE 57 4.110 -2.942 3.985 464 HA ILE 57 HA ILE 57 3.212 -0.365 5.101 465 HB ILE 57 HB ILE 57 1.646 -2.795 4.127 466 HG12 ILE 57 2HG1 ILE 57 2.625 -1.358 2.313 467 HG13 ILE 57 3HG1 ILE 57 0.867 -1.402 2.286 468 HG21 ILE 57 1HG2 ILE 57 0.527 -0.205 5.237 469 HG22 ILE 57 2HG2 ILE 57 0.450 -1.786 6.015 470 HG23 ILE 57 3HG2 ILE 57 -0.418 -1.502 4.508 471 HD11 ILE 57 3HD1 ILE 57 1.719 0.822 1.844 472 HD12 ILE 57 1HD1 ILE 57 2.551 0.838 3.397 473 HD13 ILE 57 2HD1 ILE 57 0.786 0.799 3.338 474 H LYS 58 H LYS 58 2.602 -0.212 7.191 475 HA LYS 58 HA LYS 58 2.605 -2.583 8.960 476 HB2 LYS 58 2HB LYS 58 4.736 -1.254 9.097 477 HB3 LYS 58 3HB LYS 58 3.797 0.183 9.463 478 HG2 LYS 58 2HG LYS 58 2.998 -0.997 11.565 479 HG3 LYS 58 3HG LYS 58 4.179 -2.261 11.203 480 HD2 LYS 58 2HD LYS 58 5.931 -0.326 11.132 481 HD3 LYS 58 3HD LYS 58 4.683 0.647 11.911 482 HE2 LYS 58 2HE LYS 58 6.156 -0.209 13.613 483 HE3 LYS 58 3HE LYS 58 4.609 -1.050 13.764 484 HZ1 LYS 58 3HZ LYS 58 7.063 -2.107 12.453 485 HZ2 LYS 58 1HZ LYS 58 5.579 -2.913 12.519 486 HZ3 LYS 58 2HZ LYS 58 6.430 -2.598 13.942 487 H VAL 59 H VAL 59 0.408 -2.705 9.300 488 HA VAL 59 HA VAL 59 -1.103 -0.233 9.921 489 HB VAL 59 HB VAL 59 -2.233 -2.952 9.089 490 HG11 VAL 59 1HG1 VAL 59 -3.764 -1.705 10.567 491 HG12 VAL 59 2HG1 VAL 59 -4.397 -1.762 8.924 492 HG13 VAL 59 3HG1 VAL 59 -3.642 -0.284 9.524 493 HG21 VAL 59 3HG2 VAL 59 -2.007 -0.377 7.483 494 HG22 VAL 59 1HG2 VAL 59 -2.837 -1.847 6.962 495 HG23 VAL 59 2HG2 VAL 59 -1.091 -1.861 7.209 496 H LYS 60 H LYS 60 -1.195 0.094 12.061 497 HA LYS 60 HA LYS 60 -1.664 -2.155 13.894 498 HB2 LYS 60 2HB LYS 60 0.018 -0.387 14.512 499 HB3 LYS 60 3HB LYS 60 -1.277 0.809 14.527 500 HG2 LYS 60 2HG LYS 60 -2.366 -0.309 16.394 501 HG3 LYS 60 3HG LYS 60 -1.215 -1.647 16.310 502 HD2 LYS 60 2HD LYS 60 -0.658 -0.144 18.171 503 HD3 LYS 60 3HD LYS 60 0.621 -0.121 16.958 504 HE2 LYS 60 2HE LYS 60 -0.212 2.025 16.093 505 HE3 LYS 60 3HE LYS 60 -1.554 1.985 17.241 506 HZ1 LYS 60 3HZ LYS 60 1.325 2.103 17.969 507 HZ2 LYS 60 1HZ LYS 60 0.032 2.075 19.056 508 HZ3 LYS 60 2HZ LYS 60 0.244 3.401 18.024 509 H ALA 61 H ALA 61 -3.686 -2.679 14.326 510 HA ALA 61 HA ALA 61 -5.859 -0.744 14.579 511 HB1 ALA 61 3HB ALA 61 -5.952 -1.292 12.164 512 HB2 ALA 61 1HB ALA 61 -7.369 -1.906 13.015 513 HB3 ALA 61 2HB ALA 61 -6.069 -3.009 12.554 514 H ASP 62 H ASP 62 -7.884 -1.902 15.372 515 HA ASP 62 HA ASP 62 -7.317 -3.132 17.797 516 HB2 ASP 62 2HB ASP 62 -9.430 -1.899 17.309 517 HB3 ASP 62 3HB ASP 62 -9.963 -3.222 16.279 518 H THR 63 H THR 63 -9.031 -4.731 15.093 519 HA THR 63 HA THR 63 -7.738 -7.308 15.795 520 HB THR 63 HB THR 63 -9.567 -8.337 14.354 521 HG1 THR 63 HG1 THR 63 -11.205 -6.122 14.606 522 HG21 THR 63 3HG2 THR 63 -9.796 -8.322 16.830 523 HG22 THR 63 1HG2 THR 63 -11.361 -8.161 16.026 524 HG23 THR 63 2HG2 THR 63 -10.591 -6.747 16.743 525 H GLU 64 H GLU 64 -6.775 -8.530 14.123 526 HA GLU 64 HA GLU 64 -5.398 -7.085 12.131 527 HB2 GLU 64 2HB GLU 64 -4.528 -9.210 11.324 528 HB3 GLU 64 3HB GLU 64 -4.535 -9.231 13.083 529 HG2 GLU 64 2HG GLU 64 -6.475 -10.665 13.130 530 HG3 GLU 64 3HG GLU 64 -6.688 -10.517 11.389 531 H GLU 65 H GLU 65 -8.496 -8.691 12.158 532 HA GLU 65 HA GLU 65 -8.932 -9.081 9.424 533 HB2 GLU 65 2HB GLU 65 -10.301 -10.058 11.249 534 HB3 GLU 65 3HB GLU 65 -10.953 -8.462 11.618 535 HG2 GLU 65 2HG GLU 65 -12.529 -9.850 10.306 536 HG3 GLU 65 3HG GLU 65 -12.083 -8.366 9.469 537 H LYS 66 H LYS 66 -9.848 -6.302 11.500 538 HA LYS 66 HA LYS 66 -10.921 -4.667 9.436 539 HB2 LYS 66 2HB LYS 66 -9.700 -3.881 12.116 540 HB3 LYS 66 3HB LYS 66 -10.624 -2.799 11.078 541 HG2 LYS 66 2HG LYS 66 -12.612 -4.271 11.336 542 HG3 LYS 66 3HG LYS 66 -11.673 -5.313 12.411 543 HD2 LYS 66 2HD LYS 66 -13.080 -3.809 13.737 544 HD3 LYS 66 3HD LYS 66 -11.380 -3.421 13.988 545 HE2 LYS 66 2HE LYS 66 -11.575 -1.514 12.446 546 HE3 LYS 66 3HE LYS 66 -13.269 -1.908 12.152 547 HZ1 LYS 66 3HZ LYS 66 -12.161 -1.208 14.820 548 HZ2 LYS 66 1HZ LYS 66 -13.790 -1.419 14.414 549 HZ3 LYS 66 2HZ LYS 66 -12.923 -0.114 13.785 550 H ALA 67 H ALA 67 -7.698 -5.098 10.784 551 HA ALA 67 HA ALA 67 -6.352 -3.079 9.329 552 HB1 ALA 67 3HB ALA 67 -4.306 -4.252 9.984 553 HB2 ALA 67 1HB ALA 67 -5.255 -5.671 10.458 554 HB3 ALA 67 2HB ALA 67 -5.433 -4.154 11.334 555 H LYS 68 H LYS 68 -7.233 -6.434 8.451 556 HA LYS 68 HA LYS 68 -5.704 -6.604 6.048 557 HB2 LYS 68 2HB LYS 68 -8.339 -8.025 6.676 558 HB3 LYS 68 3HB LYS 68 -7.243 -8.434 5.364 559 HG2 LYS 68 2HG LYS 68 -6.746 -8.752 8.323 560 HG3 LYS 68 3HG LYS 68 -6.996 -10.031 7.142 561 HD2 LYS 68 2HD LYS 68 -4.860 -9.506 6.068 562 HD3 LYS 68 3HD LYS 68 -4.620 -8.129 7.149 563 HE2 LYS 68 2HE LYS 68 -4.485 -9.638 9.079 564 HE3 LYS 68 3HE LYS 68 -4.804 -11.030 8.039 565 HZ1 LYS 68 3HZ LYS 68 -2.437 -10.737 8.557 566 HZ2 LYS 68 1HZ LYS 68 -2.446 -9.236 7.777 567 HZ3 LYS 68 2HZ LYS 68 -2.738 -10.652 6.897 568 H SER 69 H SER 69 -8.920 -5.372 6.825 569 HA SER 69 HA SER 69 -9.821 -4.868 4.185 570 HB2 SER 69 2HB SER 69 -11.315 -4.981 6.188 571 HB3 SER 69 3HB SER 69 -10.638 -3.461 6.770 572 HG SER 69 HG SER 69 -12.216 -2.637 5.643 573 H ILE 70 H ILE 70 -7.948 -2.972 6.506 574 HA ILE 70 HA ILE 70 -7.791 -0.524 5.075 575 HB ILE 70 HB ILE 70 -5.940 -1.774 7.162 576 HG12 ILE 70 2HG1 ILE 70 -8.042 0.430 7.451 577 HG13 ILE 70 3HG1 ILE 70 -8.309 -1.256 7.867 578 HG21 ILE 70 1HG2 ILE 70 -4.966 0.477 7.488 579 HG22 ILE 70 2HG2 ILE 70 -5.899 1.078 6.118 580 HG23 ILE 70 3HG2 ILE 70 -4.651 -0.142 5.863 581 HD11 ILE 70 3HD1 ILE 70 -6.351 0.610 9.186 582 HD12 ILE 70 1HD1 ILE 70 -6.571 -1.095 9.584 583 HD13 ILE 70 2HD1 ILE 70 -7.891 0.048 9.837 584 H ILE 71 H ILE 71 -5.614 -3.357 5.247 585 HA ILE 71 HA ILE 71 -3.687 -2.526 3.357 586 HB ILE 71 HB ILE 71 -4.491 -5.350 4.223 587 HG12 ILE 71 2HG1 ILE 71 -2.103 -3.654 5.107 588 HG13 ILE 71 3HG1 ILE 71 -3.597 -3.801 6.020 589 HG21 ILE 71 1HG2 ILE 71 -2.322 -6.138 3.319 590 HG22 ILE 71 2HG2 ILE 71 -2.001 -4.528 2.676 591 HG23 ILE 71 3HG2 ILE 71 -3.347 -5.473 2.040 592 HD11 ILE 71 3HD1 ILE 71 -1.900 -5.208 6.964 593 HD12 ILE 71 1HD1 ILE 71 -1.652 -6.021 5.417 594 HD13 ILE 71 2HD1 ILE 71 -3.180 -6.206 6.280 595 H LYS 72 H LYS 72 -6.867 -4.015 3.015 596 HA LYS 72 HA LYS 72 -6.676 -4.843 0.299 597 HB2 LYS 72 2HB LYS 72 -8.414 -5.728 1.808 598 HB3 LYS 72 3HB LYS 72 -9.115 -4.124 1.988 599 HG2 LYS 72 2HG LYS 72 -10.490 -5.415 0.490 600 HG3 LYS 72 3HG LYS 72 -9.699 -4.142 -0.440 601 HD2 LYS 72 2HD LYS 72 -8.073 -5.769 -1.304 602 HD3 LYS 72 3HD LYS 72 -8.803 -7.048 -0.326 603 HE2 LYS 72 2HE LYS 72 -10.119 -5.542 -2.614 604 HE3 LYS 72 3HE LYS 72 -9.577 -7.218 -2.630 605 HZ1 LYS 72 3HZ LYS 72 -11.775 -6.099 -0.981 606 HZ2 LYS 72 1HZ LYS 72 -11.219 -7.692 -0.881 607 HZ3 LYS 72 2HZ LYS 72 -11.938 -7.134 -2.306 608 H LEU 73 H LEU 73 -7.913 -1.854 1.871 609 HA LEU 73 HA LEU 73 -8.686 -0.511 -0.490 610 HB2 LEU 73 2HB LEU 73 -8.091 0.375 2.323 611 HB3 LEU 73 3HB LEU 73 -8.102 1.613 1.084 612 HG LEU 73 HG LEU 73 -10.453 1.041 0.513 613 HD11 LEU 73 1HD1 LEU 73 -11.795 -0.424 1.926 614 HD12 LEU 73 2HD1 LEU 73 -10.358 -0.883 2.843 615 HD13 LEU 73 3HD1 LEU 73 -10.493 -1.319 1.139 616 HD21 LEU 73 3HD2 LEU 73 -11.497 1.975 2.546 617 HD22 LEU 73 1HD2 LEU 73 -10.022 2.836 2.106 618 HD23 LEU 73 2HD2 LEU 73 -10.007 1.686 3.445 619 H ILE 74 H ILE 74 -5.573 -0.672 1.223 620 HA ILE 74 HA ILE 74 -4.072 1.085 -0.393 621 HB ILE 74 HB ILE 74 -3.132 -1.393 1.144 622 HG12 ILE 74 2HG1 ILE 74 -3.074 1.559 1.953 623 HG13 ILE 74 3HG1 ILE 74 -4.244 0.385 2.533 624 HG21 ILE 74 1HG2 ILE 74 -0.858 -0.419 1.066 625 HG22 ILE 74 2HG2 ILE 74 -1.446 0.885 0.035 626 HG23 ILE 74 3HG2 ILE 74 -1.459 -0.775 -0.558 627 HD11 ILE 74 3HD1 ILE 74 -2.433 -0.866 3.608 628 HD12 ILE 74 1HD1 ILE 74 -2.563 0.792 4.192 629 HD13 ILE 74 2HD1 ILE 74 -1.284 0.357 3.059 630 H GLU 75 H GLU 75 -4.634 -2.428 -0.633 631 HA GLU 75 HA GLU 75 -3.029 -3.062 -2.820 632 HB2 GLU 75 2HB GLU 75 -5.585 -4.295 -1.730 633 HB3 GLU 75 3HB GLU 75 -4.784 -4.986 -3.134 634 HG2 GLU 75 2HG GLU 75 -3.486 -4.635 -0.418 635 HG3 GLU 75 3HG GLU 75 -4.244 -6.123 -0.987 636 H GLU 76 H GLU 76 -6.484 -2.182 -2.769 637 HA GLU 76 HA GLU 76 -7.072 -2.453 -5.483 638 HB2 GLU 76 2HB GLU 76 -8.288 -0.596 -3.399 639 HB3 GLU 76 3HB GLU 76 -8.990 -0.872 -4.985 640 HG2 GLU 76 2HG GLU 76 -8.648 -2.902 -2.775 641 HG3 GLU 76 3HG GLU 76 -10.157 -2.198 -3.344 642 H ARG 77 H ARG 77 -5.888 0.336 -3.678 643 HA ARG 77 HA ARG 77 -6.310 2.184 -5.853 644 HB2 ARG 77 2HB ARG 77 -5.112 2.516 -3.078 645 HB3 ARG 77 3HB ARG 77 -5.359 3.841 -4.207 646 HG2 ARG 77 2HG ARG 77 -7.578 2.096 -3.096 647 HG3 ARG 77 3HG ARG 77 -7.124 3.680 -2.465 648 HD2 ARG 77 2HD ARG 77 -7.612 4.613 -4.778 649 HD3 ARG 77 3HD ARG 77 -8.296 3.034 -5.183 650 HE ARG 77 HE ARG 77 -9.401 4.240 -2.791 651 HH11 ARG 77 1HH1 ARG 77 -9.705 4.050 -6.308 652 HH12 ARG 77 2HH1 ARG 77 -11.370 4.540 -6.302 653 HH21 ARG 77 1HH2 ARG 77 -11.564 4.906 -2.821 654 HH22 ARG 77 2HH2 ARG 77 -12.418 5.025 -4.327 655 H ILE 78 H ILE 78 -3.412 0.713 -4.247 656 HA ILE 78 HA ILE 78 -1.500 2.258 -5.688 657 HB ILE 78 HB ILE 78 0.244 0.653 -4.991 658 HG12 ILE 78 2HG1 ILE 78 -2.014 -1.086 -3.886 659 HG13 ILE 78 3HG1 ILE 78 -0.993 -1.484 -5.258 660 HG21 ILE 78 1HG2 ILE 78 0.030 0.881 -2.543 661 HG22 ILE 78 2HG2 ILE 78 -1.681 1.269 -2.726 662 HG23 ILE 78 3HG2 ILE 78 -0.457 2.359 -3.377 663 HD11 ILE 78 3HD1 ILE 78 -0.311 -2.725 -3.306 664 HD12 ILE 78 1HD1 ILE 78 -0.095 -1.237 -2.382 665 HD13 ILE 78 2HD1 ILE 78 0.958 -1.589 -3.755 666 H GLU 79 H GLU 79 -3.060 -0.815 -6.279 667 HA GLU 79 HA GLU 79 -1.706 -1.581 -8.641 668 HB2 GLU 79 2HB GLU 79 -3.077 -3.058 -7.174 669 HB3 GLU 79 3HB GLU 79 -4.533 -2.231 -7.689 670 HG2 GLU 79 2HG GLU 79 -2.795 -3.564 -9.747 671 HG3 GLU 79 3HG GLU 79 -3.810 -4.565 -8.727 672 H GLU 80 H GLU 80 -4.759 0.183 -8.101 673 HA GLU 80 HA GLU 80 -5.565 0.512 -10.776 674 HB2 GLU 80 2HB GLU 80 -7.122 0.777 -8.947 675 HB3 GLU 80 3HB GLU 80 -6.166 2.056 -8.215 676 HG2 GLU 80 2HG GLU 80 -6.781 3.580 -10.027 677 HG3 GLU 80 3HG GLU 80 -7.664 2.286 -10.834 678 H GLU 81 H GLU 81 -3.637 2.673 -8.696 679 HA GLU 81 HA GLU 81 -3.646 4.820 -10.654 680 HB2 GLU 81 2HB GLU 81 -2.341 4.553 -7.920 681 HB3 GLU 81 3HB GLU 81 -2.264 6.002 -8.911 682 HG2 GLU 81 2HG GLU 81 -4.793 4.766 -7.808 683 HG3 GLU 81 3HG GLU 81 -3.960 6.174 -7.149 684 H LEU 82 H LEU 82 -1.257 2.431 -9.452 685 HA LEU 82 HA LEU 82 0.967 3.671 -10.813 686 HB2 LEU 82 2HB LEU 82 0.903 1.935 -8.772 687 HB3 LEU 82 3HB LEU 82 1.016 0.746 -10.049 688 HG LEU 82 HG LEU 82 3.055 2.878 -9.302 689 HD11 LEU 82 1HD1 LEU 82 3.287 -0.141 -9.370 690 HD12 LEU 82 2HD1 LEU 82 3.080 0.854 -7.928 691 HD13 LEU 82 3HD1 LEU 82 4.546 1.000 -8.890 692 HD21 LEU 82 3HD2 LEU 82 3.054 2.823 -11.731 693 HD22 LEU 82 1HD2 LEU 82 3.185 1.062 -11.727 694 HD23 LEU 82 2HD2 LEU 82 4.512 2.053 -11.114 695 H ARG 83 H ARG 83 -1.093 0.820 -11.399 696 HA ARG 83 HA ARG 83 0.146 0.093 -13.852 697 HB2 ARG 83 2HB ARG 83 -2.508 -0.763 -12.662 698 HB3 ARG 83 3HB ARG 83 -1.806 -1.479 -14.106 699 HG2 ARG 83 2HG ARG 83 0.201 -2.143 -12.751 700 HG3 ARG 83 3HG ARG 83 -0.606 -1.503 -11.317 701 HD2 ARG 83 2HD ARG 83 -0.904 -3.888 -11.349 702 HD3 ARG 83 3HD ARG 83 -2.462 -3.133 -11.704 703 HE ARG 83 HE ARG 83 -0.717 -4.136 -13.860 704 HH11 ARG 83 1HH1 ARG 83 -3.839 -4.229 -12.238 705 HH12 ARG 83 2HH1 ARG 83 -4.565 -5.231 -13.460 706 HH21 ARG 83 1HH2 ARG 83 -1.676 -5.440 -15.444 707 HH22 ARG 83 2HH2 ARG 83 -3.342 -5.913 -15.270 708 H LYS 84 H LYS 84 -2.148 2.509 -13.137 709 HA LYS 84 HA LYS 84 -3.388 3.005 -15.565 710 HB2 LYS 84 2HB LYS 84 -3.797 4.163 -13.401 711 HB3 LYS 84 3HB LYS 84 -2.230 4.956 -13.522 712 HG2 LYS 84 2HG LYS 84 -3.010 6.122 -15.549 713 HG3 LYS 84 3HG LYS 84 -4.581 5.344 -15.380 714 HD2 LYS 84 2HD LYS 84 -3.317 7.251 -13.375 715 HD3 LYS 84 3HD LYS 84 -4.620 7.657 -14.492 716 HE2 LYS 84 2HE LYS 84 -6.069 5.966 -13.361 717 HE3 LYS 84 3HE LYS 84 -4.760 5.643 -12.221 718 HZ1 LYS 84 3HZ LYS 84 -6.401 7.178 -11.319 719 HZ2 LYS 84 1HZ LYS 84 -6.110 8.264 -12.581 720 HZ3 LYS 84 2HZ LYS 84 -4.893 7.923 -11.458 721 H ARG 85 H ARG 85 -0.093 3.734 -14.475 722 HA ARG 85 HA ARG 85 0.694 4.791 -17.119 723 HB2 ARG 85 2HB ARG 85 1.434 6.157 -15.248 724 HB3 ARG 85 3HB ARG 85 2.139 4.765 -14.431 725 HG2 ARG 85 2HG ARG 85 3.867 4.578 -16.158 726 HG3 ARG 85 3HG ARG 85 3.126 5.882 -17.086 727 HD2 ARG 85 2HD ARG 85 4.306 6.187 -14.307 728 HD3 ARG 85 3HD ARG 85 5.136 6.597 -15.807 729 HE ARG 85 HE ARG 85 2.690 7.932 -14.814 730 HH11 ARG 85 1HH1 ARG 85 5.730 8.105 -16.605 731 HH12 ARG 85 2HH1 ARG 85 5.571 9.802 -16.930 732 HH21 ARG 85 1HH2 ARG 85 2.501 10.145 -15.254 733 HH22 ARG 85 2HH2 ARG 85 3.742 10.958 -16.163 734 H ASP 86 H ASP 86 1.047 1.971 -15.057 735 HA ASP 86 HA ASP 86 3.094 0.789 -16.845 736 HB2 ASP 86 2HB ASP 86 4.063 1.903 -14.720 737 HB3 ASP 86 3HB ASP 86 3.247 0.647 -13.801 738 HA PRO 87 HA PRO 87 -0.731 -1.971 -16.320 739 HB2 PRO 87 2HB PRO 87 0.670 -3.114 -18.758 740 HB3 PRO 87 3HB PRO 87 -1.068 -2.861 -18.464 741 HG2 PRO 87 2HG PRO 87 0.231 -1.146 -19.988 742 HG3 PRO 87 3HG PRO 87 -0.933 -0.544 -18.782 743 HD2 PRO 87 2HD PRO 87 2.075 -0.538 -18.671 744 HD3 PRO 87 3HD PRO 87 0.918 0.690 -18.104 745 H ASN 88 H ASN 88 2.677 -2.871 -16.487 746 HA ASN 88 HA ASN 88 2.090 -5.597 -15.473 747 HB2 ASN 88 2HB ASN 88 4.565 -4.472 -16.859 748 HB3 ASN 88 3HB ASN 88 4.505 -6.071 -16.122 749 HD21 ASN 88 1HD2 ASN 88 3.220 -7.700 -17.095 750 HD22 ASN 88 2HD2 ASN 88 2.635 -7.541 -18.715 751 H ALA 89 H ALA 89 2.282 -2.908 -13.948 752 HA ALA 89 HA ALA 89 4.396 -3.310 -12.040 753 HB1 ALA 89 3HB ALA 89 3.469 -1.061 -12.452 754 HB2 ALA 89 1HB ALA 89 3.305 -1.511 -10.752 755 HB3 ALA 89 2HB ALA 89 1.906 -1.577 -11.824 756 H THR 90 H THR 90 4.111 -5.509 -11.554 757 HA THR 90 HA THR 90 1.648 -6.492 -10.366 758 HB THR 90 HB THR 90 4.307 -7.880 -10.884 759 HG1 THR 90 HG1 THR 90 3.366 -7.181 -12.809 760 HG21 THR 90 3HG2 THR 90 2.952 -9.124 -9.232 761 HG22 THR 90 1HG2 THR 90 3.023 -9.986 -10.770 762 HG23 THR 90 2HG2 THR 90 1.571 -9.087 -10.330 763 H ILE 91 H ILE 91 1.260 -6.419 -8.262 764 HA ILE 91 HA ILE 91 3.419 -5.930 -6.339 765 HB ILE 91 HB ILE 91 1.790 -5.218 -4.729 766 HG12 ILE 91 2HG1 ILE 91 -0.041 -6.887 -5.190 767 HG13 ILE 91 3HG1 ILE 91 -0.634 -5.253 -4.957 768 HG21 ILE 91 1HG2 ILE 91 0.737 -3.286 -5.862 769 HG22 ILE 91 2HG2 ILE 91 1.060 -4.028 -7.430 770 HG23 ILE 91 3HG2 ILE 91 2.401 -3.540 -6.393 771 HD11 ILE 91 3HD1 ILE 91 -1.841 -6.388 -6.713 772 HD12 ILE 91 1HD1 ILE 91 -0.347 -6.670 -7.604 773 HD13 ILE 91 2HD1 ILE 91 -0.941 -5.024 -7.373 774 H THR 92 H THR 92 4.127 -7.491 -4.992 775 HA THR 92 HA THR 92 2.719 -10.105 -4.951 776 HB THR 92 HB THR 92 5.709 -9.568 -4.562 777 HG1 THR 92 HG1 THR 92 4.121 -10.080 -6.794 778 HG21 THR 92 3HG2 THR 92 4.964 -11.604 -3.355 779 HG22 THR 92 1HG2 THR 92 5.949 -12.027 -4.757 780 HG23 THR 92 2HG2 THR 92 4.195 -12.202 -4.828 781 H ARG 93 H ARG 93 1.730 -10.485 -3.049 782 HA ARG 93 HA ARG 93 2.442 -8.825 -0.725 783 HB2 ARG 93 2HB ARG 93 0.128 -8.668 -1.607 784 HB3 ARG 93 3HB ARG 93 -0.113 -10.387 -1.300 785 HG2 ARG 93 2HG ARG 93 0.125 -10.043 1.093 786 HG3 ARG 93 3HG ARG 93 0.547 -8.350 0.839 787 HD2 ARG 93 2HD ARG 93 -1.741 -8.477 1.593 788 HD3 ARG 93 3HD ARG 93 -1.734 -7.963 -0.097 789 HE ARG 93 HE ARG 93 -2.372 -10.709 0.827 790 HH11 ARG 93 1HH1 ARG 93 -2.832 -8.062 -1.452 791 HH12 ARG 93 2HH1 ARG 93 -4.069 -8.893 -2.339 792 HH21 ARG 93 1HH2 ARG 93 -4.018 -11.780 -0.328 793 HH22 ARG 93 2HH2 ARG 93 -4.742 -11.003 -1.702 794 H THR 94 H THR 94 3.372 -9.693 0.998 795 HA THR 94 HA THR 94 3.008 -12.547 1.721 796 HB THR 94 HB THR 94 5.575 -10.887 1.988 797 HG1 THR 94 HG1 THR 94 4.838 -12.983 0.214 798 HG21 THR 94 3HG2 THR 94 6.633 -12.956 2.775 799 HG22 THR 94 1HG2 THR 94 5.084 -13.798 2.690 800 HG23 THR 94 2HG2 THR 94 5.316 -12.487 3.850 801 H VAL 95 H VAL 95 2.027 -12.629 3.749 802 HA VAL 95 HA VAL 95 1.791 -10.255 5.381 803 HB VAL 95 HB VAL 95 -0.054 -11.901 5.317 804 HG11 VAL 95 1HG1 VAL 95 1.783 -13.802 6.800 805 HG12 VAL 95 2HG1 VAL 95 1.202 -13.991 5.146 806 HG13 VAL 95 3HG1 VAL 95 0.062 -14.057 6.491 807 HG21 VAL 95 3HG2 VAL 95 -0.562 -11.964 7.742 808 HG22 VAL 95 1HG2 VAL 95 0.107 -10.403 7.258 809 HG23 VAL 95 2HG2 VAL 95 1.120 -11.570 8.108 810 H ARG 96 H ARG 96 2.950 -9.682 7.139 811 HA ARG 96 HA ARG 96 4.818 -11.591 8.397 812 HB2 ARG 96 2HB ARG 96 6.152 -10.110 6.902 813 HB3 ARG 96 3HB ARG 96 5.470 -8.686 7.681 814 HG2 ARG 96 2HG ARG 96 7.773 -9.202 8.461 815 HG3 ARG 96 3HG ARG 96 6.592 -9.222 9.772 816 HD2 ARG 96 2HD ARG 96 6.524 -11.701 9.665 817 HD3 ARG 96 3HD ARG 96 7.723 -11.676 8.367 818 HE ARG 96 HE ARG 96 9.157 -10.467 10.148 819 HH11 ARG 96 1HH1 ARG 96 6.886 -13.076 10.865 820 HH12 ARG 96 2HH1 ARG 96 7.775 -13.625 12.249 821 HH21 ARG 96 1HH2 ARG 96 10.323 -11.215 11.953 822 HH22 ARG 96 2HH2 ARG 96 9.731 -12.565 12.871 823 H THR 97 H THR 97 4.709 -11.559 10.579 824 HA THR 97 HA THR 97 3.846 -9.352 12.152 825 HB THR 97 HB THR 97 1.604 -9.983 11.342 826 HG1 THR 97 HG1 THR 97 0.622 -10.189 13.373 827 HG21 THR 97 3HG2 THR 97 0.580 -12.169 11.880 828 HG22 THR 97 1HG2 THR 97 2.122 -12.734 12.532 829 HG23 THR 97 2HG2 THR 97 1.973 -12.356 10.816 830 H GLU 98 H GLU 98 3.661 -10.031 14.475 831 HA GLU 98 HA GLU 98 4.756 -12.587 15.244 832 HB2 GLU 98 2HB GLU 98 6.842 -11.312 14.747 833 HB3 GLU 98 3HB GLU 98 6.338 -10.046 15.863 834 HG2 GLU 98 2HG GLU 98 8.044 -11.542 16.850 835 HG3 GLU 98 3HG GLU 98 6.530 -11.566 17.754 836 H VAL 99 H VAL 99 2.990 -12.952 16.430 837 HA VAL 99 HA VAL 99 2.386 -11.173 18.724 838 HB VAL 99 HB VAL 99 0.443 -13.098 17.352 839 HG11 VAL 99 1HG1 VAL 99 -1.296 -12.004 18.712 840 HG12 VAL 99 2HG1 VAL 99 -0.076 -11.006 19.503 841 HG13 VAL 99 3HG1 VAL 99 -0.068 -12.758 19.730 842 HG21 VAL 99 3HG2 VAL 99 -0.708 -11.121 16.433 843 HG22 VAL 99 1HG2 VAL 99 0.948 -11.234 15.832 844 HG23 VAL 99 2HG2 VAL 99 0.545 -10.066 17.093 845 H GLY 100 H GLY 100 3.991 -12.211 19.955 846 HA2 GLY 100 2HA GLY 100 3.509 -15.001 20.801 847 HA3 GLY 100 3HA GLY 100 4.927 -14.020 21.177 848 H SER 101 H SER 101 4.846 -12.515 22.857 849 HA SER 101 HA SER 101 2.416 -11.978 24.342 850 HB2 SER 101 2HB SER 101 3.076 -14.131 25.371 851 HB3 SER 101 3HB SER 101 4.702 -13.516 25.669 852 HG SER 101 HG SER 101 3.832 -13.013 27.536 853 H SER 102 H SER 102 2.530 -10.003 25.235 854 HA SER 102 HA SER 102 4.816 -8.308 24.983 855 HB2 SER 102 2HB SER 102 2.258 -7.876 26.599 856 HB3 SER 102 3HB SER 102 3.407 -6.622 26.131 857 HG SER 102 HG SER 102 2.807 -7.738 23.887 858 H TRP 103 H TRP 103 3.163 -9.849 27.724 859 HA TRP 103 HA TRP 103 5.549 -10.367 29.176 860 HB2 TRP 103 2HB TRP 103 5.259 -7.884 29.655 861 HB3 TRP 103 3HB TRP 103 3.726 -8.248 30.426 862 HD1 TRP 103 HD1 TRP 103 6.735 -10.540 31.118 863 HE1 TRP 103 HE1 TRP 103 7.501 -10.200 33.544 864 HE3 TRP 103 HE3 TRP 103 3.824 -6.510 32.341 865 HZ2 TRP 103 HZ2 TRP 103 6.965 -8.458 35.690 866 HZ3 TRP 103 HZ3 TRP 103 4.018 -5.559 34.605 867 HH2 TRP 103 HH2 TRP 103 5.557 -6.514 36.249 868 H SER 104 H SER 104 5.149 -12.141 30.388 869 HA SER 104 HA SER 104 2.421 -12.687 31.400 870 HB2 SER 104 2HB SER 104 4.322 -14.738 30.158 871 HB3 SER 104 3HB SER 104 2.784 -15.115 30.935 872 HG SER 104 HG SER 104 1.820 -13.694 29.332 873 H LEU 105 H LEU 105 2.394 -13.038 33.505 874 HA LEU 105 HA LEU 105 4.924 -13.257 35.000 875 HB2 LEU 105 2HB LEU 105 2.129 -12.422 35.899 876 HB3 LEU 105 3HB LEU 105 3.511 -12.573 36.968 877 HG LEU 105 HG LEU 105 4.670 -10.775 35.516 878 HD11 LEU 105 1HD1 LEU 105 1.852 -10.292 34.523 879 HD12 LEU 105 2HD1 LEU 105 3.222 -10.850 33.559 880 HD13 LEU 105 3HD1 LEU 105 3.246 -9.237 34.263 881 HD21 LEU 105 3HD2 LEU 105 3.838 -10.293 37.756 882 HD22 LEU 105 1HD2 LEU 105 2.231 -9.953 37.111 883 HD23 LEU 105 2HD2 LEU 105 3.596 -8.915 36.686 884 H GLU 106 H GLU 106 4.697 -14.555 37.099 885 HA GLU 106 HA GLU 106 2.891 -16.850 37.004 886 HB2 GLU 106 2HB GLU 106 4.825 -17.649 35.697 887 HB3 GLU 106 3HB GLU 106 5.929 -17.165 36.976 888 HG2 GLU 106 2HG GLU 106 5.628 -19.571 37.018 889 HG3 GLU 106 3HG GLU 106 4.936 -18.868 38.474 890 H HIS 107 H HIS 107 2.374 -17.586 39.009 891 HA HIS 107 HA HIS 107 3.868 -16.916 41.390 892 HB2 HIS 107 2HB HIS 107 2.071 -15.564 42.449 893 HB3 HIS 107 3HB HIS 107 2.723 -14.767 41.020 894 HD1 HIS 107 HD1 HIS 107 -0.399 -15.409 42.599 895 HD2 HIS 107 HD2 HIS 107 0.878 -15.379 38.629 896 HE1 HIS 107 HE1 HIS 107 -2.480 -15.176 41.215 897 HE2 HIS 107 HE2 HIS 107 -1.695 -15.281 38.830 898 H HIS 108 H HIS 108 3.765 -18.808 42.469 899 HA HIS 108 HA HIS 108 1.152 -20.019 43.077 900 HB2 HIS 108 2HB HIS 108 3.528 -21.636 42.049 901 HB3 HIS 108 3HB HIS 108 2.087 -22.336 42.771 902 HD1 HIS 108 HD1 HIS 108 -0.113 -20.873 41.230 903 HD2 HIS 108 HD2 HIS 108 3.338 -22.355 39.453 904 HE1 HIS 108 HE1 HIS 108 -0.704 -21.250 38.823 905 HE2 HIS 108 HE2 HIS 108 1.481 -21.818 37.738 906 H HIS 109 H HIS 109 1.723 -18.771 45.056 907 HA HIS 109 HA HIS 109 3.801 -19.854 46.792 908 HB2 HIS 109 2HB HIS 109 1.668 -17.725 47.234 909 HB3 HIS 109 3HB HIS 109 2.734 -18.275 48.522 910 HD1 HIS 109 HD1 HIS 109 5.199 -17.537 48.432 911 HD2 HIS 109 HD2 HIS 109 2.901 -16.058 45.305 912 HE1 HIS 109 HE1 HIS 109 6.576 -15.724 47.379 913 HE2 HIS 109 HE2 HIS 109 5.073 -14.713 45.639 914 H HIS 110 H HIS 110 3.159 -22.032 46.878 915 HA HIS 110 HA HIS 110 0.577 -22.729 48.104 916 HB2 HIS 110 2HB HIS 110 2.791 -24.482 46.935 917 HB3 HIS 110 3HB HIS 110 1.283 -25.095 47.603 918 HD1 HIS 110 HD1 HIS 110 2.373 -25.372 44.593 919 HD2 HIS 110 HD2 HIS 110 -0.641 -22.845 45.943 920 HE1 HIS 110 HE1 HIS 110 0.920 -24.930 42.596 921 HE2 HIS 110 HE2 HIS 110 -0.984 -23.542 43.483 922 H HIS 111 H HIS 111 0.791 -22.162 50.258 923 HA HIS 111 HA HIS 111 2.945 -23.311 51.896 924 HB2 HIS 111 2HB HIS 111 0.798 -21.251 52.335 925 HB3 HIS 111 3HB HIS 111 1.176 -22.245 53.735 926 HD1 HIS 111 HD1 HIS 111 2.248 -20.322 55.039 927 HD2 HIS 111 HD2 HIS 111 4.066 -21.026 51.364 928 HE1 HIS 111 HE1 HIS 111 4.402 -19.032 55.091 929 HE2 HIS 111 HE2 HIS 111 5.517 -19.555 52.900 930 H HIS 112 H HIS 112 -0.610 -23.305 52.375 931 HA HIS 112 HA HIS 112 -1.023 -26.065 51.993 932 HB2 HIS 112 2HB HIS 112 -1.577 -26.761 54.343 933 HB3 HIS 112 3HB HIS 112 0.133 -26.427 54.115 934 HD1 HIS 112 HD1 HIS 112 -2.960 -24.823 55.630 935 HD2 HIS 112 HD2 HIS 112 1.187 -24.606 55.879 936 HE1 HIS 112 HE1 HIS 112 -2.474 -23.279 57.553 937 HE2 HIS 112 HE2 HIS 112 0.026 -23.299 57.780 Start of MODEL 16 1 H1 MET 1 1H MET 1 -5.354 -4.981 21.051 2 H2 MET 1 2H MET 1 -6.059 -3.450 21.110 3 H3 MET 1 3H MET 1 -4.402 -3.628 21.384 4 HA MET 1 HA MET 1 -5.798 -4.215 18.842 5 HB2 MET 1 2HB MET 1 -3.974 -1.892 19.613 6 HB3 MET 1 3HB MET 1 -4.501 -2.230 17.965 7 HG2 MET 1 2HG MET 1 -6.834 -1.840 18.614 8 HG3 MET 1 3HG MET 1 -6.336 -1.569 20.282 9 HE1 MET 1 3HE MET 1 -5.146 1.260 16.832 10 HE2 MET 1 1HE MET 1 -6.056 -0.224 16.586 11 HE3 MET 1 2HE MET 1 -4.369 -0.306 17.090 12 H LEU 2 H LEU 2 -4.304 -4.645 17.072 13 HA LEU 2 HA LEU 2 -1.672 -5.741 17.871 14 HB2 LEU 2 2HB LEU 2 -2.037 -7.563 16.156 15 HB3 LEU 2 3HB LEU 2 -3.030 -7.660 17.594 16 HG LEU 2 HG LEU 2 -4.948 -6.647 16.193 17 HD11 LEU 2 1HD1 LEU 2 -4.864 -6.913 13.766 18 HD12 LEU 2 2HD1 LEU 2 -3.168 -7.394 13.856 19 HD13 LEU 2 3HD1 LEU 2 -3.653 -5.762 14.312 20 HD21 LEU 2 3HD2 LEU 2 -4.880 -9.009 16.836 21 HD22 LEU 2 1HD2 LEU 2 -3.905 -9.387 15.412 22 HD23 LEU 2 2HD2 LEU 2 -5.566 -8.814 15.226 23 H THR 3 H THR 3 -0.093 -5.832 16.165 24 HA THR 3 HA THR 3 -0.442 -3.796 14.033 25 HB THR 3 HB THR 3 2.091 -4.696 15.489 26 HG1 THR 3 HG1 THR 3 0.416 -3.184 16.491 27 HG21 THR 3 3HG2 THR 3 1.743 -2.537 13.377 28 HG22 THR 3 1HG2 THR 3 2.617 -4.062 13.162 29 HG23 THR 3 2HG2 THR 3 3.218 -2.846 14.290 30 H VAL 4 H VAL 4 -0.898 -4.929 12.178 31 HA VAL 4 HA VAL 4 0.821 -7.244 11.478 32 HB VAL 4 HB VAL 4 -1.576 -7.846 11.338 33 HG11 VAL 4 1HG1 VAL 4 -3.108 -6.805 9.710 34 HG12 VAL 4 2HG1 VAL 4 -1.868 -5.617 9.295 35 HG13 VAL 4 3HG1 VAL 4 -2.560 -5.640 10.918 36 HG21 VAL 4 3HG2 VAL 4 -0.009 -8.897 9.734 37 HG22 VAL 4 1HG2 VAL 4 -0.328 -7.612 8.565 38 HG23 VAL 4 2HG2 VAL 4 -1.616 -8.732 9.025 39 H GLU 5 H GLU 5 2.315 -6.895 9.995 40 HA GLU 5 HA GLU 5 2.238 -4.510 8.269 41 HB2 GLU 5 2HB GLU 5 4.582 -6.344 8.975 42 HB3 GLU 5 3HB GLU 5 4.671 -4.912 7.946 43 HG2 GLU 5 2HG GLU 5 3.984 -3.519 9.910 44 HG3 GLU 5 3HG GLU 5 4.035 -4.972 10.915 45 H VAL 6 H VAL 6 2.477 -4.731 6.063 46 HA VAL 6 HA VAL 6 2.821 -7.420 4.899 47 HB VAL 6 HB VAL 6 0.407 -6.909 4.737 48 HG11 VAL 6 1HG1 VAL 6 -0.480 -5.020 3.435 49 HG12 VAL 6 2HG1 VAL 6 1.155 -4.398 3.200 50 HG13 VAL 6 3HG1 VAL 6 0.458 -4.457 4.820 51 HG21 VAL 6 3HG2 VAL 6 0.092 -7.204 2.309 52 HG22 VAL 6 1HG2 VAL 6 1.435 -8.184 2.905 53 HG23 VAL 6 2HG2 VAL 6 1.758 -6.692 2.023 54 H GLU 7 H GLU 7 4.611 -7.391 3.699 55 HA GLU 7 HA GLU 7 5.780 -4.906 2.715 56 HB2 GLU 7 2HB GLU 7 7.177 -6.640 3.872 57 HB3 GLU 7 3HB GLU 7 6.805 -7.784 2.587 58 HG2 GLU 7 2HG GLU 7 7.999 -6.423 0.956 59 HG3 GLU 7 3HG GLU 7 8.268 -5.155 2.155 60 H VAL 8 H VAL 8 4.757 -4.224 0.900 61 HA VAL 8 HA VAL 8 4.070 -6.115 -1.263 62 HB VAL 8 HB VAL 8 3.351 -3.148 -0.946 63 HG11 VAL 8 1HG1 VAL 8 2.373 -5.179 -2.996 64 HG12 VAL 8 2HG1 VAL 8 3.457 -3.825 -3.319 65 HG13 VAL 8 3HG1 VAL 8 1.786 -3.521 -2.838 66 HG21 VAL 8 3HG2 VAL 8 1.052 -3.936 -0.438 67 HG22 VAL 8 1HG2 VAL 8 2.209 -4.548 0.750 68 HG23 VAL 8 2HG2 VAL 8 1.601 -5.612 -0.522 69 H LYS 9 H LYS 9 5.804 -6.463 -2.522 70 HA LYS 9 HA LYS 9 7.750 -4.316 -3.036 71 HB2 LYS 9 2HB LYS 9 8.593 -6.447 -2.060 72 HB3 LYS 9 3HB LYS 9 8.005 -7.330 -3.467 73 HG2 LYS 9 2HG LYS 9 9.573 -6.145 -4.907 74 HG3 LYS 9 3HG LYS 9 10.095 -5.129 -3.569 75 HD2 LYS 9 2HD LYS 9 10.449 -8.137 -3.523 76 HD3 LYS 9 3HD LYS 9 11.620 -7.083 -4.308 77 HE2 LYS 9 2HE LYS 9 12.426 -7.584 -2.097 78 HE3 LYS 9 3HE LYS 9 11.928 -5.897 -2.112 79 HZ1 LYS 9 3HZ LYS 9 11.216 -7.008 -0.103 80 HZ2 LYS 9 1HZ LYS 9 10.370 -8.162 -1.005 81 HZ3 LYS 9 2HZ LYS 9 9.868 -6.553 -1.017 82 H ILE 10 H ILE 10 7.438 -3.193 -4.895 83 HA ILE 10 HA ILE 10 5.600 -4.258 -6.936 84 HB ILE 10 HB ILE 10 6.640 -1.393 -6.664 85 HG12 ILE 10 2HG1 ILE 10 4.101 -1.027 -5.908 86 HG13 ILE 10 3HG1 ILE 10 4.208 -2.704 -5.412 87 HG21 ILE 10 1HG2 ILE 10 4.337 -2.507 -8.320 88 HG22 ILE 10 2HG2 ILE 10 5.885 -1.930 -8.939 89 HG23 ILE 10 3HG2 ILE 10 4.766 -0.797 -8.183 90 HD11 ILE 10 3HD1 ILE 10 4.601 -1.186 -3.568 91 HD12 ILE 10 1HD1 ILE 10 5.957 -0.452 -4.425 92 HD13 ILE 10 2HD1 ILE 10 6.045 -2.140 -3.905 93 H THR 11 H THR 11 6.769 -5.430 -8.382 94 HA THR 11 HA THR 11 9.219 -4.363 -9.598 95 HB THR 11 HB THR 11 9.388 -6.712 -9.167 96 HG1 THR 11 HG1 THR 11 9.628 -7.542 -11.358 97 HG21 THR 11 3HG2 THR 11 7.023 -7.355 -8.990 98 HG22 THR 11 1HG2 THR 11 7.886 -8.437 -10.087 99 HG23 THR 11 2HG2 THR 11 6.836 -7.177 -10.736 100 H ALA 12 H ALA 12 9.036 -2.976 -11.224 101 HA ALA 12 HA ALA 12 6.605 -2.909 -12.925 102 HB1 ALA 12 3HB ALA 12 6.529 -0.470 -12.665 103 HB2 ALA 12 1HB ALA 12 7.913 -0.526 -11.567 104 HB3 ALA 12 2HB ALA 12 6.380 -1.269 -11.099 105 H ASP 13 H ASP 13 6.950 -1.164 -14.717 106 HA ASP 13 HA ASP 13 9.296 -1.869 -16.256 107 HB2 ASP 13 2HB ASP 13 7.151 -1.595 -17.408 108 HB3 ASP 13 3HB ASP 13 6.997 0.062 -16.826 109 H ASP 14 H ASP 14 8.040 1.046 -14.661 110 HA ASP 14 HA ASP 14 10.826 2.023 -14.396 111 HB2 ASP 14 2HB ASP 14 9.394 3.415 -16.034 112 HB3 ASP 14 3HB ASP 14 8.424 3.894 -14.646 113 H GLU 15 H GLU 15 11.290 1.621 -12.355 114 HA GLU 15 HA GLU 15 9.370 1.154 -10.317 115 HB2 GLU 15 2HB GLU 15 11.193 0.567 -8.917 116 HB3 GLU 15 3HB GLU 15 11.659 0.048 -10.528 117 HG2 GLU 15 2HG GLU 15 12.634 2.618 -9.223 118 HG3 GLU 15 3HG GLU 15 13.481 1.080 -9.119 119 H ASN 16 H ASN 16 11.238 3.988 -11.220 120 HA ASN 16 HA ASN 16 11.048 5.404 -8.726 121 HB2 ASN 16 2HB ASN 16 12.830 5.912 -10.335 122 HB3 ASN 16 3HB ASN 16 11.653 6.372 -11.557 123 HD21 ASN 16 1HD2 ASN 16 10.746 8.425 -11.476 124 HD22 ASN 16 2HD2 ASN 16 11.278 9.642 -10.374 125 H LYS 17 H LYS 17 9.262 5.431 -11.795 126 HA LYS 17 HA LYS 17 7.270 7.306 -11.093 127 HB2 LYS 17 2HB LYS 17 7.323 5.020 -13.088 128 HB3 LYS 17 3HB LYS 17 5.902 6.040 -12.894 129 HG2 LYS 17 2HG LYS 17 8.659 7.036 -13.707 130 HG3 LYS 17 3HG LYS 17 7.322 6.703 -14.816 131 HD2 LYS 17 2HD LYS 17 5.959 8.434 -13.566 132 HD3 LYS 17 3HD LYS 17 7.409 8.830 -12.639 133 HE2 LYS 17 2HE LYS 17 7.121 9.077 -15.656 134 HE3 LYS 17 3HE LYS 17 7.043 10.411 -14.504 135 HZ1 LYS 17 3HZ LYS 17 9.342 9.894 -13.858 136 HZ2 LYS 17 1HZ LYS 17 9.217 10.303 -15.491 137 HZ3 LYS 17 2HZ LYS 17 9.413 8.688 -15.036 138 H ALA 18 H ALA 18 7.368 3.741 -10.938 139 HA ALA 18 HA ALA 18 4.813 3.183 -10.031 140 HB1 ALA 18 3HB ALA 18 5.713 1.021 -9.273 141 HB2 ALA 18 1HB ALA 18 7.357 1.651 -9.381 142 HB3 ALA 18 2HB ALA 18 6.387 1.463 -10.844 143 H GLU 19 H GLU 19 7.745 3.833 -8.127 144 HA GLU 19 HA GLU 19 6.683 3.359 -5.570 145 HB2 GLU 19 2HB GLU 19 9.113 3.433 -6.015 146 HB3 GLU 19 3HB GLU 19 9.015 5.160 -6.354 147 HG2 GLU 19 2HG GLU 19 8.309 5.584 -4.031 148 HG3 GLU 19 3HG GLU 19 8.357 3.859 -3.692 149 H GLU 20 H GLU 20 7.231 6.465 -7.309 150 HA GLU 20 HA GLU 20 6.133 8.170 -5.369 151 HB2 GLU 20 2HB GLU 20 6.388 8.519 -8.376 152 HB3 GLU 20 3HB GLU 20 5.844 9.808 -7.304 153 HG2 GLU 20 2HG GLU 20 8.543 8.435 -7.189 154 HG3 GLU 20 3HG GLU 20 8.224 10.013 -7.900 155 H ILE 21 H ILE 21 4.541 6.433 -8.034 156 HA ILE 21 HA ILE 21 1.984 7.625 -7.854 157 HB ILE 21 HB ILE 21 2.785 4.830 -8.788 158 HG12 ILE 21 2HG1 ILE 21 1.967 7.260 -10.456 159 HG13 ILE 21 3HG1 ILE 21 3.635 6.801 -10.141 160 HG21 ILE 21 1HG2 ILE 21 0.070 6.175 -9.083 161 HG22 ILE 21 2HG2 ILE 21 0.430 4.749 -8.106 162 HG23 ILE 21 3HG2 ILE 21 0.549 4.661 -9.862 163 HD11 ILE 21 3HD1 ILE 21 1.605 5.152 -11.650 164 HD12 ILE 21 1HD1 ILE 21 3.277 4.681 -11.318 165 HD13 ILE 21 2HD1 ILE 21 2.938 6.078 -12.337 166 H VAL 22 H VAL 22 3.323 4.656 -6.348 167 HA VAL 22 HA VAL 22 1.042 3.860 -4.894 168 HB VAL 22 HB VAL 22 3.988 3.286 -4.290 169 HG11 VAL 22 1HG1 VAL 22 3.194 1.380 -2.923 170 HG12 VAL 22 2HG1 VAL 22 1.522 1.882 -3.187 171 HG13 VAL 22 3HG1 VAL 22 2.620 2.912 -2.268 172 HG21 VAL 22 3HG2 VAL 22 3.589 1.109 -5.380 173 HG22 VAL 22 1HG2 VAL 22 3.225 2.431 -6.493 174 HG23 VAL 22 2HG2 VAL 22 1.912 1.560 -5.702 175 H LYS 23 H LYS 23 3.780 5.949 -3.953 176 HA LYS 23 HA LYS 23 3.142 6.428 -1.256 177 HB2 LYS 23 2HB LYS 23 4.569 8.223 -3.266 178 HB3 LYS 23 3HB LYS 23 4.543 8.502 -1.525 179 HG2 LYS 23 2HG LYS 23 5.806 6.486 -1.115 180 HG3 LYS 23 3HG LYS 23 5.690 6.006 -2.807 181 HD2 LYS 23 2HD LYS 23 7.915 6.911 -2.336 182 HD3 LYS 23 3HD LYS 23 7.054 7.960 -3.464 183 HE2 LYS 23 2HE LYS 23 6.481 9.470 -1.551 184 HE3 LYS 23 3HE LYS 23 7.436 8.436 -0.491 185 HZ1 LYS 23 3HZ LYS 23 9.394 8.962 -1.755 186 HZ2 LYS 23 1HZ LYS 23 8.650 10.394 -1.253 187 HZ3 LYS 23 2HZ LYS 23 8.497 9.881 -2.857 188 H ARG 24 H ARG 24 2.221 8.157 -4.210 189 HA ARG 24 HA ARG 24 0.759 10.283 -3.003 190 HB2 ARG 24 2HB ARG 24 1.788 10.336 -5.283 191 HB3 ARG 24 3HB ARG 24 0.610 9.157 -5.834 192 HG2 ARG 24 2HG ARG 24 -0.740 11.490 -4.694 193 HG3 ARG 24 3HG ARG 24 0.418 11.993 -5.922 194 HD2 ARG 24 2HD ARG 24 -1.703 11.690 -7.000 195 HD3 ARG 24 3HD ARG 24 -0.658 10.361 -7.510 196 HE ARG 24 HE ARG 24 -2.572 9.958 -5.297 197 HH11 ARG 24 1HH1 ARG 24 -1.557 9.128 -8.575 198 HH12 ARG 24 2HH1 ARG 24 -2.638 7.787 -8.684 199 HH21 ARG 24 1HH2 ARG 24 -4.040 8.253 -5.513 200 HH22 ARG 24 2HH2 ARG 24 -4.042 7.292 -6.954 201 H VAL 25 H VAL 25 -0.065 7.028 -4.021 202 HA VAL 25 HA VAL 25 -2.916 7.276 -3.821 203 HB VAL 25 HB VAL 25 -1.175 4.759 -3.681 204 HG11 VAL 25 1HG1 VAL 25 -3.263 3.510 -4.145 205 HG12 VAL 25 2HG1 VAL 25 -4.183 5.013 -4.048 206 HG13 VAL 25 3HG1 VAL 25 -3.358 4.388 -2.619 207 HG21 VAL 25 3HG2 VAL 25 -2.763 5.872 -6.033 208 HG22 VAL 25 1HG2 VAL 25 -1.827 4.373 -6.028 209 HG23 VAL 25 2HG2 VAL 25 -1.013 5.925 -5.869 210 H ILE 26 H ILE 26 -0.371 5.971 -1.641 211 HA ILE 26 HA ILE 26 -2.083 5.074 0.429 212 HB ILE 26 HB ILE 26 0.870 5.825 0.677 213 HG12 ILE 26 2HG1 ILE 26 -0.310 3.040 0.242 214 HG13 ILE 26 3HG1 ILE 26 0.375 4.025 -1.045 215 HG21 ILE 26 1HG2 ILE 26 0.897 4.334 2.674 216 HG22 ILE 26 2HG2 ILE 26 -0.845 4.098 2.512 217 HG23 ILE 26 3HG2 ILE 26 -0.202 5.697 2.890 218 HD11 ILE 26 3HD1 ILE 26 2.551 3.986 0.046 219 HD12 ILE 26 1HD1 ILE 26 1.955 2.354 -0.252 220 HD13 ILE 26 2HD1 ILE 26 1.883 3.030 1.373 221 H ASP 27 H ASP 27 -0.519 8.171 -0.240 222 HA ASP 27 HA ASP 27 -0.956 9.615 2.086 223 HB2 ASP 27 2HB ASP 27 0.213 10.578 0.145 224 HB3 ASP 27 3HB ASP 27 -1.262 10.533 -0.812 225 H GLU 28 H GLU 28 -3.188 8.988 -0.595 226 HA GLU 28 HA GLU 28 -5.437 10.347 0.549 227 HB2 GLU 28 2HB GLU 28 -5.334 8.355 -1.748 228 HB3 GLU 28 3HB GLU 28 -6.702 9.403 -1.353 229 HG2 GLU 28 2HG GLU 28 -5.285 11.386 -1.796 230 HG3 GLU 28 3HG GLU 28 -3.944 10.324 -2.236 231 H VAL 29 H VAL 29 -4.606 6.871 0.115 232 HA VAL 29 HA VAL 29 -6.951 5.732 1.091 233 HB VAL 29 HB VAL 29 -4.140 4.544 1.347 234 HG11 VAL 29 1HG1 VAL 29 -6.861 3.167 1.385 235 HG12 VAL 29 2HG1 VAL 29 -5.759 3.331 2.754 236 HG13 VAL 29 3HG1 VAL 29 -5.302 2.338 1.372 237 HG21 VAL 29 3HG2 VAL 29 -4.611 3.393 -0.792 238 HG22 VAL 29 1HG2 VAL 29 -4.652 5.147 -0.987 239 HG23 VAL 29 2HG2 VAL 29 -6.159 4.235 -0.908 240 H GLU 30 H GLU 30 -3.946 6.446 2.828 241 HA GLU 30 HA GLU 30 -4.597 5.500 5.355 242 HB2 GLU 30 2HB GLU 30 -2.312 6.112 4.639 243 HB3 GLU 30 3HB GLU 30 -2.762 7.813 4.633 244 HG2 GLU 30 2HG GLU 30 -3.081 7.761 7.067 245 HG3 GLU 30 3HG GLU 30 -2.731 6.037 7.091 246 H ARG 31 H ARG 31 -5.017 8.802 4.021 247 HA ARG 31 HA ARG 31 -5.972 9.919 6.480 248 HB2 ARG 31 2HB ARG 31 -6.259 11.989 5.295 249 HB3 ARG 31 3HB ARG 31 -4.796 11.238 4.672 250 HG2 ARG 31 2HG ARG 31 -6.249 10.401 2.724 251 HG3 ARG 31 3HG ARG 31 -7.491 11.511 3.304 252 HD2 ARG 31 2HD ARG 31 -4.687 12.234 2.367 253 HD3 ARG 31 3HD ARG 31 -6.187 12.529 1.491 254 HE ARG 31 HE ARG 31 -6.649 13.896 3.722 255 HH11 ARG 31 1HH1 ARG 31 -3.745 13.879 1.702 256 HH12 ARG 31 2HH1 ARG 31 -3.324 15.511 2.106 257 HH21 ARG 31 1HH2 ARG 31 -6.079 16.023 4.226 258 HH22 ARG 31 2HH2 ARG 31 -4.654 16.732 3.543 259 H GLU 32 H GLU 32 -7.529 8.330 3.766 260 HA GLU 32 HA GLU 32 -10.254 9.043 4.424 261 HB2 GLU 32 2HB GLU 32 -9.114 6.820 2.671 262 HB3 GLU 32 3HB GLU 32 -10.836 7.184 2.807 263 HG2 GLU 32 2HG GLU 32 -10.483 9.393 1.835 264 HG3 GLU 32 3HG GLU 32 -8.741 9.131 1.793 265 H VAL 33 H VAL 33 -8.043 6.416 5.176 266 HA VAL 33 HA VAL 33 -9.922 4.698 6.480 267 HB VAL 33 HB VAL 33 -6.870 4.756 6.424 268 HG11 VAL 33 1HG1 VAL 33 -7.535 3.748 8.569 269 HG12 VAL 33 2HG1 VAL 33 -6.865 2.527 7.489 270 HG13 VAL 33 3HG1 VAL 33 -8.611 2.634 7.725 271 HG21 VAL 33 3HG2 VAL 33 -8.864 2.833 5.155 272 HG22 VAL 33 1HG2 VAL 33 -7.105 2.732 5.013 273 HG23 VAL 33 2HG2 VAL 33 -7.973 4.097 4.307 274 H GLN 34 H GLN 34 -7.891 7.416 7.537 275 HA GLN 34 HA GLN 34 -8.111 6.985 10.350 276 HB2 GLN 34 2HB GLN 34 -7.760 9.676 8.951 277 HB3 GLN 34 3HB GLN 34 -7.433 9.335 10.647 278 HG2 GLN 34 2HG GLN 34 -5.926 8.263 8.258 279 HG3 GLN 34 3HG GLN 34 -5.357 9.459 9.408 280 HE21 GLN 34 1HE2 GLN 34 -4.338 6.755 8.577 281 HE22 GLN 34 2HE2 GLN 34 -4.106 5.890 10.055 282 H LYS 35 H LYS 35 -10.288 8.286 7.971 283 HA LYS 35 HA LYS 35 -12.054 9.701 9.741 284 HB2 LYS 35 2HB LYS 35 -12.609 8.621 6.938 285 HB3 LYS 35 3HB LYS 35 -13.536 9.863 7.781 286 HG2 LYS 35 2HG LYS 35 -11.686 11.429 7.629 287 HG3 LYS 35 3HG LYS 35 -10.623 10.175 6.976 288 HD2 LYS 35 2HD LYS 35 -12.109 10.014 4.969 289 HD3 LYS 35 3HD LYS 35 -13.095 11.325 5.620 290 HE2 LYS 35 2HE LYS 35 -10.167 11.524 4.827 291 HE3 LYS 35 3HE LYS 35 -11.538 12.142 3.899 292 HZ1 LYS 35 3HZ LYS 35 -10.590 13.078 6.548 293 HZ2 LYS 35 1HZ LYS 35 -12.063 13.557 5.863 294 HZ3 LYS 35 2HZ LYS 35 -10.609 13.937 5.093 295 H GLN 36 H GLN 36 -12.143 6.568 8.045 296 HA GLN 36 HA GLN 36 -14.692 5.766 9.175 297 HB2 GLN 36 2HB GLN 36 -12.755 4.206 7.402 298 HB3 GLN 36 3HB GLN 36 -14.420 3.750 7.762 299 HG2 GLN 36 2HG GLN 36 -13.495 6.152 6.150 300 HG3 GLN 36 3HG GLN 36 -14.292 4.705 5.538 301 HE21 GLN 36 1HE2 GLN 36 -14.732 7.762 7.122 302 HE22 GLN 36 2HE2 GLN 36 -16.457 7.765 7.112 303 H TYR 37 H TYR 37 -11.349 5.297 9.892 304 HA TYR 37 HA TYR 37 -11.934 3.485 12.143 305 HB2 TYR 37 2HB TYR 37 -9.529 3.085 10.301 306 HB3 TYR 37 3HB TYR 37 -9.989 2.086 11.665 307 HD1 TYR 37 HD1 TYR 37 -11.899 0.462 11.442 308 HD2 TYR 37 HD2 TYR 37 -10.561 2.791 8.110 309 HE1 TYR 37 HE1 TYR 37 -13.085 -1.050 9.899 310 HE2 TYR 37 HE2 TYR 37 -11.746 1.284 6.574 311 HH TYR 37 HH TYR 37 -12.647 -0.959 6.485 312 HA PRO 38 HA PRO 38 -9.487 7.239 13.486 313 HB2 PRO 38 2HB PRO 38 -10.346 7.152 16.131 314 HB3 PRO 38 3HB PRO 38 -11.257 7.945 14.826 315 HG2 PRO 38 2HG PRO 38 -11.636 5.183 15.973 316 HG3 PRO 38 3HG PRO 38 -12.857 6.426 15.602 317 HD2 PRO 38 2HD PRO 38 -12.439 4.387 13.899 318 HD3 PRO 38 3HD PRO 38 -12.769 6.023 13.283 319 H ASN 39 H ASN 39 -9.551 3.963 14.674 320 HA ASN 39 HA ASN 39 -7.225 4.218 16.415 321 HB2 ASN 39 2HB ASN 39 -8.846 1.771 15.582 322 HB3 ASN 39 3HB ASN 39 -7.580 1.774 16.806 323 HD21 ASN 39 1HD2 ASN 39 -7.994 2.727 18.823 324 HD22 ASN 39 2HD2 ASN 39 -9.589 3.150 19.326 325 H ALA 40 H ALA 40 -7.788 3.482 13.096 326 HA ALA 40 HA ALA 40 -5.713 1.579 12.632 327 HB1 ALA 40 3HB ALA 40 -7.154 3.406 10.687 328 HB2 ALA 40 1HB ALA 40 -7.651 1.779 11.157 329 HB3 ALA 40 2HB ALA 40 -6.159 2.013 10.244 330 H THR 41 H THR 41 -3.599 2.079 12.916 331 HA THR 41 HA THR 41 -2.574 4.737 12.090 332 HB THR 41 HB THR 41 -1.217 2.705 13.927 333 HG1 THR 41 HG1 THR 41 -3.163 4.641 14.442 334 HG21 THR 41 3HG2 THR 41 -0.676 5.660 13.439 335 HG22 THR 41 1HG2 THR 41 0.342 4.318 12.900 336 HG23 THR 41 2HG2 THR 41 0.155 4.651 14.623 337 H ILE 42 H ILE 42 -1.643 4.659 10.128 338 HA ILE 42 HA ILE 42 -0.479 2.133 9.110 339 HB ILE 42 HB ILE 42 -1.539 4.483 7.471 340 HG12 ILE 42 2HG1 ILE 42 -2.888 1.784 7.969 341 HG13 ILE 42 3HG1 ILE 42 -3.355 3.288 8.757 342 HG21 ILE 42 1HG2 ILE 42 -1.394 2.928 5.542 343 HG22 ILE 42 2HG2 ILE 42 -0.710 1.684 6.592 344 HG23 ILE 42 3HG2 ILE 42 0.188 3.176 6.287 345 HD11 ILE 42 3HD1 ILE 42 -3.521 2.712 5.797 346 HD12 ILE 42 1HD1 ILE 42 -3.963 4.233 6.580 347 HD13 ILE 42 2HD1 ILE 42 -4.855 2.761 6.948 348 H THR 43 H THR 43 1.680 2.139 9.116 349 HA THR 43 HA THR 43 3.202 4.615 8.517 350 HB THR 43 HB THR 43 4.192 2.077 9.912 351 HG1 THR 43 HG1 THR 43 3.004 4.417 10.854 352 HG21 THR 43 3HG2 THR 43 6.169 3.428 10.512 353 HG22 THR 43 1HG2 THR 43 5.515 4.806 9.629 354 HG23 THR 43 2HG2 THR 43 5.995 3.348 8.756 355 H ARG 44 H ARG 44 4.400 4.574 6.657 356 HA ARG 44 HA ARG 44 4.662 2.062 5.142 357 HB2 ARG 44 2HB ARG 44 3.847 3.047 3.091 358 HB3 ARG 44 3HB ARG 44 2.613 3.198 4.325 359 HG2 ARG 44 2HG ARG 44 4.419 5.464 3.404 360 HG3 ARG 44 3HG ARG 44 2.799 5.153 2.786 361 HD2 ARG 44 2HD ARG 44 2.381 6.833 4.347 362 HD3 ARG 44 3HD ARG 44 2.085 5.391 5.324 363 HE ARG 44 HE ARG 44 4.804 6.288 5.488 364 HH11 ARG 44 1HH1 ARG 44 1.602 6.962 6.806 365 HH12 ARG 44 2HH1 ARG 44 2.228 7.671 8.261 366 HH21 ARG 44 1HH2 ARG 44 5.580 7.197 7.398 367 HH22 ARG 44 2HH2 ARG 44 4.479 7.803 8.593 368 H THR 45 H THR 45 6.548 1.827 4.057 369 HA THR 45 HA THR 45 8.342 4.125 3.649 370 HB THR 45 HB THR 45 9.203 1.564 5.095 371 HG1 THR 45 HG1 THR 45 8.831 4.241 6.041 372 HG21 THR 45 3HG2 THR 45 11.363 2.742 5.422 373 HG22 THR 45 1HG2 THR 45 10.777 4.101 4.466 374 HG23 THR 45 2HG2 THR 45 11.020 2.525 3.703 375 H LEU 46 H LEU 46 8.934 4.044 1.571 376 HA LEU 46 HA LEU 46 9.083 1.465 0.129 377 HB2 LEU 46 2HB LEU 46 8.592 4.237 -1.046 378 HB3 LEU 46 3HB LEU 46 8.625 2.719 -1.925 379 HG LEU 46 HG LEU 46 6.582 2.068 -0.394 380 HD11 LEU 46 1HD1 LEU 46 6.678 3.916 1.172 381 HD12 LEU 46 2HD1 LEU 46 5.150 3.935 0.296 382 HD13 LEU 46 3HD1 LEU 46 6.427 5.078 -0.133 383 HD21 LEU 46 3HD2 LEU 46 6.417 2.335 -2.808 384 HD22 LEU 46 1HD2 LEU 46 6.251 4.084 -2.632 385 HD23 LEU 46 2HD2 LEU 46 4.997 3.006 -2.009 386 H THR 47 H THR 47 11.040 0.895 -0.523 387 HA THR 47 HA THR 47 13.113 2.825 -1.301 388 HB THR 47 HB THR 47 13.632 0.566 0.707 389 HG1 THR 47 HG1 THR 47 13.246 3.352 1.049 390 HG21 THR 47 3HG2 THR 47 15.598 1.018 -0.712 391 HG22 THR 47 1HG2 THR 47 15.886 1.572 0.940 392 HG23 THR 47 2HG2 THR 47 15.501 2.739 -0.328 393 H ARG 48 H ARG 48 14.409 1.915 -3.031 394 HA ARG 48 HA ARG 48 13.261 -0.476 -4.212 395 HB2 ARG 48 2HB ARG 48 15.261 1.541 -5.237 396 HB3 ARG 48 3HB ARG 48 15.133 -0.023 -6.024 397 HG2 ARG 48 2HG ARG 48 13.645 1.132 -7.319 398 HG3 ARG 48 3HG ARG 48 12.533 0.571 -6.080 399 HD2 ARG 48 2HD ARG 48 12.015 2.860 -6.440 400 HD3 ARG 48 3HD ARG 48 12.914 2.813 -4.915 401 HE ARG 48 HE ARG 48 14.737 3.231 -7.017 402 HH11 ARG 48 1HH1 ARG 48 12.143 4.988 -5.409 403 HH12 ARG 48 2HH1 ARG 48 12.822 6.543 -5.764 404 HH21 ARG 48 1HH2 ARG 48 15.618 5.280 -7.449 405 HH22 ARG 48 2HH2 ARG 48 14.793 6.707 -6.917 406 H ASP 49 H ASP 49 13.877 -2.394 -3.778 407 HA ASP 49 HA ASP 49 16.427 -3.104 -2.582 408 HB2 ASP 49 2HB ASP 49 14.167 -4.037 -1.817 409 HB3 ASP 49 3HB ASP 49 14.084 -4.918 -3.337 410 H ASP 50 H ASP 50 17.545 -2.343 -4.490 411 HA ASP 50 HA ASP 50 18.686 -2.445 -6.407 412 HB2 ASP 50 2HB ASP 50 19.624 -4.463 -5.302 413 HB3 ASP 50 3HB ASP 50 18.400 -5.460 -6.079 414 H GLY 51 H GLY 51 16.697 -1.459 -7.309 415 HA2 GLY 51 2HA GLY 51 15.995 -1.097 -9.523 416 HA3 GLY 51 3HA GLY 51 16.081 -2.819 -9.846 417 H THR 52 H THR 52 14.558 -3.617 -7.513 418 HA THR 52 HA THR 52 11.838 -3.014 -8.487 419 HB THR 52 HB THR 52 12.833 -5.118 -6.502 420 HG1 THR 52 HG1 THR 52 13.631 -5.596 -8.534 421 HG21 THR 52 3HG2 THR 52 10.147 -4.905 -7.907 422 HG22 THR 52 1HG2 THR 52 10.429 -4.609 -6.190 423 HG23 THR 52 2HG2 THR 52 10.660 -6.226 -6.859 424 H VAL 53 H VAL 53 10.236 -2.074 -7.083 425 HA VAL 53 HA VAL 53 11.211 -0.467 -4.863 426 HB VAL 53 HB VAL 53 8.315 -0.875 -5.771 427 HG11 VAL 53 1HG1 VAL 53 9.519 1.363 -4.096 428 HG12 VAL 53 2HG1 VAL 53 8.463 0.079 -3.502 429 HG13 VAL 53 3HG1 VAL 53 7.839 1.279 -4.639 430 HG21 VAL 53 3HG2 VAL 53 9.645 -0.015 -7.643 431 HG22 VAL 53 1HG2 VAL 53 10.251 1.297 -6.629 432 HG23 VAL 53 2HG2 VAL 53 8.539 1.227 -7.050 433 H GLU 54 H GLU 54 10.953 -0.944 -2.702 434 HA GLU 54 HA GLU 54 9.315 -3.290 -1.924 435 HB2 GLU 54 2HB GLU 54 11.718 -3.783 -1.651 436 HB3 GLU 54 3HB GLU 54 11.925 -2.334 -0.670 437 HG2 GLU 54 2HG GLU 54 10.368 -3.304 1.027 438 HG3 GLU 54 3HG GLU 54 10.264 -4.771 0.054 439 H LEU 55 H LEU 55 7.513 -2.265 -1.326 440 HA LEU 55 HA LEU 55 7.503 -0.077 0.624 441 HB2 LEU 55 2HB LEU 55 5.852 0.230 -1.065 442 HB3 LEU 55 3HB LEU 55 5.410 -1.465 -1.071 443 HG LEU 55 HG LEU 55 4.307 -1.145 1.179 444 HD11 LEU 55 1HD1 LEU 55 4.792 1.802 0.705 445 HD12 LEU 55 2HD1 LEU 55 5.547 0.812 1.955 446 HD13 LEU 55 3HD1 LEU 55 3.810 1.097 1.991 447 HD21 LEU 55 3HD2 LEU 55 3.250 0.574 -1.079 448 HD22 LEU 55 1HD2 LEU 55 2.315 -0.001 0.306 449 HD23 LEU 55 2HD2 LEU 55 2.973 -1.156 -0.852 450 H ARG 56 H ARG 56 7.229 -0.474 2.759 451 HA ARG 56 HA ARG 56 5.973 -3.010 3.629 452 HB2 ARG 56 2HB ARG 56 7.962 -1.273 5.171 453 HB3 ARG 56 3HB ARG 56 7.091 -2.635 5.853 454 HG2 ARG 56 2HG ARG 56 9.122 -3.637 5.383 455 HG3 ARG 56 3HG ARG 56 8.240 -4.003 3.903 456 HD2 ARG 56 2HD ARG 56 10.509 -3.261 3.384 457 HD3 ARG 56 3HD ARG 56 9.341 -2.071 2.790 458 HE ARG 56 HE ARG 56 10.001 -1.215 5.309 459 HH11 ARG 56 1HH1 ARG 56 11.897 -1.821 2.395 460 HH12 ARG 56 2HH1 ARG 56 13.093 -0.645 2.812 461 HH21 ARG 56 1HH2 ARG 56 11.631 0.254 5.859 462 HH22 ARG 56 2HH2 ARG 56 12.945 0.525 4.767 463 H ILE 57 H ILE 57 3.946 -2.617 4.138 464 HA ILE 57 HA ILE 57 3.020 -0.077 5.281 465 HB ILE 57 HB ILE 57 1.534 -2.568 4.313 466 HG12 ILE 57 2HG1 ILE 57 2.456 -1.029 2.519 467 HG13 ILE 57 3HG1 ILE 57 0.713 -1.255 2.457 468 HG21 ILE 57 1HG2 ILE 57 -0.593 -1.354 4.686 469 HG22 ILE 57 2HG2 ILE 57 0.298 -0.039 5.456 470 HG23 ILE 57 3HG2 ILE 57 0.277 -1.642 6.193 471 HD11 ILE 57 3HD1 ILE 57 1.376 1.039 2.017 472 HD12 ILE 57 1HD1 ILE 57 2.120 1.150 3.610 473 HD13 ILE 57 2HD1 ILE 57 0.373 0.931 3.462 474 H LYS 58 H LYS 58 2.275 0.029 7.368 475 HA LYS 58 HA LYS 58 2.218 -2.380 9.086 476 HB2 LYS 58 2HB LYS 58 4.227 -1.158 9.726 477 HB3 LYS 58 3HB LYS 58 3.383 0.384 9.669 478 HG2 LYS 58 2HG LYS 58 2.022 -0.316 11.633 479 HG3 LYS 58 3HG LYS 58 2.939 -1.819 11.706 480 HD2 LYS 58 2HD LYS 58 4.297 0.889 11.905 481 HD3 LYS 58 3HD LYS 58 3.585 0.113 13.318 482 HE2 LYS 58 2HE LYS 58 5.954 -0.362 13.277 483 HE3 LYS 58 3HE LYS 58 5.087 -1.856 12.939 484 HZ1 LYS 58 3HZ LYS 58 5.618 -1.640 10.627 485 HZ2 LYS 58 1HZ LYS 58 7.037 -1.503 11.524 486 HZ3 LYS 58 2HZ LYS 58 6.322 -0.124 10.872 487 H VAL 59 H VAL 59 -0.007 -2.625 9.202 488 HA VAL 59 HA VAL 59 -1.649 -0.257 9.900 489 HB VAL 59 HB VAL 59 -2.701 -3.004 9.069 490 HG11 VAL 59 1HG1 VAL 59 -4.273 -1.671 10.428 491 HG12 VAL 59 2HG1 VAL 59 -4.851 -1.804 8.766 492 HG13 VAL 59 3HG1 VAL 59 -4.096 -0.307 9.321 493 HG21 VAL 59 3HG2 VAL 59 -3.227 -2.013 6.863 494 HG22 VAL 59 1HG2 VAL 59 -1.487 -2.028 7.165 495 HG23 VAL 59 2HG2 VAL 59 -2.398 -0.524 7.330 496 H LYS 60 H LYS 60 -1.513 -0.038 12.052 497 HA LYS 60 HA LYS 60 -1.949 -2.303 13.849 498 HB2 LYS 60 2HB LYS 60 -0.188 -0.709 14.460 499 HB3 LYS 60 3HB LYS 60 -1.327 0.632 14.388 500 HG2 LYS 60 2HG LYS 60 -2.539 -0.238 16.334 501 HG3 LYS 60 3HG LYS 60 -1.520 -1.679 16.355 502 HD2 LYS 60 2HD LYS 60 -0.879 -0.024 18.088 503 HD3 LYS 60 3HD LYS 60 0.433 -0.367 16.960 504 HE2 LYS 60 2HE LYS 60 0.310 2.034 17.484 505 HE3 LYS 60 3HE LYS 60 -0.034 1.762 15.777 506 HZ1 LYS 60 3HZ LYS 60 -1.566 3.345 16.725 507 HZ2 LYS 60 1HZ LYS 60 -2.045 2.241 17.911 508 HZ3 LYS 60 2HZ LYS 60 -2.401 1.948 16.287 509 H ALA 61 H ALA 61 -3.986 -2.858 14.181 510 HA ALA 61 HA ALA 61 -6.106 -0.856 14.580 511 HB1 ALA 61 3HB ALA 61 -6.237 -1.406 12.167 512 HB2 ALA 61 1HB ALA 61 -7.664 -1.970 13.042 513 HB3 ALA 61 2HB ALA 61 -6.408 -3.116 12.567 514 H ASP 62 H ASP 62 -8.203 -2.131 15.187 515 HA ASP 62 HA ASP 62 -7.799 -3.298 17.676 516 HB2 ASP 62 2HB ASP 62 -10.248 -3.495 15.859 517 HB3 ASP 62 3HB ASP 62 -10.236 -3.852 17.590 518 H THR 63 H THR 63 -9.235 -4.997 14.894 519 HA THR 63 HA THR 63 -8.029 -7.563 15.736 520 HB THR 63 HB THR 63 -9.764 -8.629 14.280 521 HG1 THR 63 HG1 THR 63 -11.544 -7.054 13.672 522 HG21 THR 63 3HG2 THR 63 -11.747 -8.173 15.661 523 HG22 THR 63 1HG2 THR 63 -10.988 -6.710 16.301 524 HG23 THR 63 2HG2 THR 63 -10.306 -8.298 16.670 525 H GLU 64 H GLU 64 -7.144 -8.918 14.026 526 HA GLU 64 HA GLU 64 -5.682 -7.568 11.976 527 HB2 GLU 64 2HB GLU 64 -4.980 -9.800 11.230 528 HB3 GLU 64 3HB GLU 64 -4.831 -9.645 12.979 529 HG2 GLU 64 2HG GLU 64 -6.882 -10.936 13.302 530 HG3 GLU 64 3HG GLU 64 -7.125 -11.045 11.557 531 H GLU 65 H GLU 65 -8.855 -9.008 12.143 532 HA GLU 65 HA GLU 65 -9.474 -9.331 9.436 533 HB2 GLU 65 2HB GLU 65 -10.895 -10.098 11.338 534 HB3 GLU 65 3HB GLU 65 -11.289 -8.425 11.713 535 HG2 GLU 65 2HG GLU 65 -13.121 -9.526 10.507 536 HG3 GLU 65 3HG GLU 65 -12.458 -8.186 9.568 537 H LYS 66 H LYS 66 -10.004 -6.485 11.559 538 HA LYS 66 HA LYS 66 -10.914 -4.699 9.560 539 HB2 LYS 66 2HB LYS 66 -9.595 -4.133 12.248 540 HB3 LYS 66 3HB LYS 66 -10.320 -2.896 11.224 541 HG2 LYS 66 2HG LYS 66 -12.519 -3.970 11.453 542 HG3 LYS 66 3HG LYS 66 -11.805 -5.236 12.459 543 HD2 LYS 66 2HD LYS 66 -12.948 -3.487 13.821 544 HD3 LYS 66 3HD LYS 66 -11.226 -3.602 14.188 545 HE2 LYS 66 2HE LYS 66 -10.775 -1.592 12.853 546 HE3 LYS 66 3HE LYS 66 -12.465 -1.519 12.348 547 HZ1 LYS 66 3HZ LYS 66 -13.116 -1.065 14.591 548 HZ2 LYS 66 1HZ LYS 66 -11.917 0.036 14.137 549 HZ3 LYS 66 2HZ LYS 66 -11.529 -1.256 15.154 550 H ALA 67 H ALA 67 -7.730 -5.366 10.912 551 HA ALA 67 HA ALA 67 -6.312 -3.201 9.795 552 HB1 ALA 67 3HB ALA 67 -5.566 -4.500 11.763 553 HB2 ALA 67 1HB ALA 67 -4.315 -4.413 10.518 554 HB3 ALA 67 2HB ALA 67 -5.259 -5.891 10.723 555 H LYS 68 H LYS 68 -6.798 -6.537 8.660 556 HA LYS 68 HA LYS 68 -5.199 -6.185 6.276 557 HB2 LYS 68 2HB LYS 68 -6.950 -8.481 7.216 558 HB3 LYS 68 3HB LYS 68 -6.003 -8.515 5.729 559 HG2 LYS 68 2HG LYS 68 -3.918 -8.362 6.971 560 HG3 LYS 68 3HG LYS 68 -4.785 -8.092 8.485 561 HD2 LYS 68 2HD LYS 68 -3.965 -10.409 8.355 562 HD3 LYS 68 3HD LYS 68 -5.729 -10.363 8.379 563 HE2 LYS 68 2HE LYS 68 -5.670 -10.597 5.850 564 HE3 LYS 68 3HE LYS 68 -3.934 -10.870 5.987 565 HZ1 LYS 68 3HZ LYS 68 -6.006 -12.525 7.318 566 HZ2 LYS 68 1HZ LYS 68 -4.346 -12.827 7.281 567 HZ3 LYS 68 2HZ LYS 68 -5.253 -12.923 5.862 568 H SER 69 H SER 69 -8.552 -5.709 7.126 569 HA SER 69 HA SER 69 -9.613 -5.580 4.484 570 HB2 SER 69 2HB SER 69 -10.506 -4.120 7.010 571 HB3 SER 69 3HB SER 69 -11.417 -4.145 5.498 572 HG SER 69 HG SER 69 -10.620 -6.566 6.657 573 H ILE 70 H ILE 70 -8.021 -3.244 6.592 574 HA ILE 70 HA ILE 70 -8.135 -0.951 4.924 575 HB ILE 70 HB ILE 70 -6.200 -1.761 7.137 576 HG12 ILE 70 2HG1 ILE 70 -8.528 0.212 7.286 577 HG13 ILE 70 3HG1 ILE 70 -8.706 -1.495 7.666 578 HG21 ILE 70 1HG2 ILE 70 -6.519 0.984 5.882 579 HG22 ILE 70 2HG2 ILE 70 -5.105 -0.065 5.753 580 HG23 ILE 70 3HG2 ILE 70 -5.554 0.616 7.316 581 HD11 ILE 70 3HD1 ILE 70 -8.471 -0.170 9.665 582 HD12 ILE 70 1HD1 ILE 70 -6.919 0.449 9.110 583 HD13 ILE 70 2HD1 ILE 70 -7.102 -1.266 9.487 584 H ILE 71 H ILE 71 -5.738 -3.570 5.283 585 HA ILE 71 HA ILE 71 -3.834 -2.775 3.379 586 HB ILE 71 HB ILE 71 -4.711 -5.566 4.253 587 HG12 ILE 71 2HG1 ILE 71 -2.253 -3.919 5.030 588 HG13 ILE 71 3HG1 ILE 71 -3.698 -4.100 6.015 589 HG21 ILE 71 1HG2 ILE 71 -3.688 -5.788 2.040 590 HG22 ILE 71 2HG2 ILE 71 -2.615 -6.451 3.271 591 HG23 ILE 71 3HG2 ILE 71 -2.278 -4.867 2.570 592 HD11 ILE 71 3HD1 ILE 71 -1.758 -6.291 5.273 593 HD12 ILE 71 1HD1 ILE 71 -3.239 -6.515 6.209 594 HD13 ILE 71 2HD1 ILE 71 -1.937 -5.513 6.843 595 H LYS 72 H LYS 72 -6.906 -4.560 2.998 596 HA LYS 72 HA LYS 72 -6.731 -5.163 0.244 597 HB2 LYS 72 2HB LYS 72 -8.355 -6.132 1.987 598 HB3 LYS 72 3HB LYS 72 -9.308 -4.677 1.799 599 HG2 LYS 72 2HG LYS 72 -8.727 -6.590 -0.491 600 HG3 LYS 72 3HG LYS 72 -10.119 -6.764 0.572 601 HD2 LYS 72 2HD LYS 72 -9.552 -4.463 -1.336 602 HD3 LYS 72 3HD LYS 72 -10.785 -5.712 -1.514 603 HE2 LYS 72 2HE LYS 72 -10.720 -3.571 0.648 604 HE3 LYS 72 3HE LYS 72 -11.770 -3.590 -0.770 605 HZ1 LYS 72 3HZ LYS 72 -12.901 -4.378 1.228 606 HZ2 LYS 72 1HZ LYS 72 -11.786 -5.636 1.377 607 HZ3 LYS 72 2HZ LYS 72 -12.820 -5.583 0.048 608 H LEU 73 H LEU 73 -8.010 -2.283 1.980 609 HA LEU 73 HA LEU 73 -9.022 -0.844 -0.223 610 HB2 LEU 73 2HB LEU 73 -7.999 -0.040 2.498 611 HB3 LEU 73 3HB LEU 73 -8.182 1.228 1.299 612 HG LEU 73 HG LEU 73 -10.605 0.660 1.075 613 HD11 LEU 73 1HD1 LEU 73 -10.580 -1.682 1.726 614 HD12 LEU 73 2HD1 LEU 73 -11.718 -0.769 2.715 615 HD13 LEU 73 3HD1 LEU 73 -10.150 -1.238 3.379 616 HD21 LEU 73 3HD2 LEU 73 -9.714 1.320 3.894 617 HD22 LEU 73 1HD2 LEU 73 -11.318 1.628 3.219 618 HD23 LEU 73 2HD2 LEU 73 -9.912 2.461 2.561 619 H ILE 74 H ILE 74 -5.765 -0.829 1.244 620 HA ILE 74 HA ILE 74 -4.464 0.962 -0.483 621 HB ILE 74 HB ILE 74 -3.253 -1.443 0.974 622 HG12 ILE 74 2HG1 ILE 74 -3.466 1.462 1.902 623 HG13 ILE 74 3HG1 ILE 74 -4.500 0.153 2.459 624 HG21 ILE 74 1HG2 ILE 74 -1.851 1.045 -0.090 625 HG22 ILE 74 2HG2 ILE 74 -1.708 -0.582 -0.753 626 HG23 ILE 74 3HG2 ILE 74 -1.090 -0.236 0.862 627 HD11 ILE 74 3HD1 ILE 74 -2.814 0.658 4.094 628 HD12 ILE 74 1HD1 ILE 74 -1.529 0.391 2.917 629 HD13 ILE 74 2HD1 ILE 74 -2.542 -0.957 3.441 630 H GLU 75 H GLU 75 -4.882 -2.563 -0.714 631 HA GLU 75 HA GLU 75 -3.353 -3.243 -2.918 632 HB2 GLU 75 2HB GLU 75 -5.946 -4.394 -1.831 633 HB3 GLU 75 3HB GLU 75 -5.080 -5.155 -3.162 634 HG2 GLU 75 2HG GLU 75 -3.718 -4.619 -0.507 635 HG3 GLU 75 3HG GLU 75 -4.716 -6.052 -0.752 636 H GLU 76 H GLU 76 -6.842 -2.396 -2.890 637 HA GLU 76 HA GLU 76 -7.305 -2.649 -5.664 638 HB2 GLU 76 2HB GLU 76 -8.789 -0.883 -3.664 639 HB3 GLU 76 3HB GLU 76 -9.385 -1.350 -5.259 640 HG2 GLU 76 2HG GLU 76 -8.884 -3.193 -2.905 641 HG3 GLU 76 3HG GLU 76 -10.454 -2.657 -3.493 642 H ARG 77 H ARG 77 -6.471 0.150 -3.654 643 HA ARG 77 HA ARG 77 -6.946 2.124 -5.668 644 HB2 ARG 77 2HB ARG 77 -5.489 2.309 -2.999 645 HB3 ARG 77 3HB ARG 77 -6.011 3.689 -3.966 646 HG2 ARG 77 2HG ARG 77 -7.978 1.625 -2.946 647 HG3 ARG 77 3HG ARG 77 -7.459 2.976 -1.940 648 HD2 ARG 77 2HD ARG 77 -8.573 3.520 -4.692 649 HD3 ARG 77 3HD ARG 77 -9.671 3.142 -3.360 650 HE ARG 77 HE ARG 77 -8.068 5.075 -2.327 651 HH11 ARG 77 1HH1 ARG 77 -10.058 4.956 -5.220 652 HH12 ARG 77 2HH1 ARG 77 -10.385 6.659 -5.204 653 HH21 ARG 77 1HH2 ARG 77 -8.584 7.283 -2.268 654 HH22 ARG 77 2HH2 ARG 77 -9.552 7.975 -3.536 655 H ILE 78 H ILE 78 -3.933 0.682 -4.288 656 HA ILE 78 HA ILE 78 -2.181 2.315 -5.831 657 HB ILE 78 HB ILE 78 -0.298 0.927 -5.133 658 HG12 ILE 78 2HG1 ILE 78 -2.312 -1.025 -3.910 659 HG13 ILE 78 3HG1 ILE 78 -1.298 -1.340 -5.309 660 HG21 ILE 78 1HG2 ILE 78 -0.447 1.196 -2.684 661 HG22 ILE 78 2HG2 ILE 78 -2.195 1.411 -2.814 662 HG23 ILE 78 3HG2 ILE 78 -1.105 2.592 -3.541 663 HD11 ILE 78 3HD1 ILE 78 -0.334 -0.929 -2.471 664 HD12 ILE 78 1HD1 ILE 78 0.703 -1.184 -3.878 665 HD13 ILE 78 2HD1 ILE 78 -0.409 -2.448 -3.361 666 H GLU 79 H GLU 79 -3.388 -1.046 -6.251 667 HA GLU 79 HA GLU 79 -1.854 -1.706 -8.530 668 HB2 GLU 79 2HB GLU 79 -3.019 -3.405 -7.152 669 HB3 GLU 79 3HB GLU 79 -4.578 -2.789 -7.692 670 HG2 GLU 79 2HG GLU 79 -4.017 -3.454 -10.023 671 HG3 GLU 79 3HG GLU 79 -2.474 -4.096 -9.458 672 H GLU 80 H GLU 80 -4.995 -0.111 -8.171 673 HA GLU 80 HA GLU 80 -5.811 -0.043 -10.860 674 HB2 GLU 80 2HB GLU 80 -7.261 0.519 -8.890 675 HB3 GLU 80 3HB GLU 80 -6.369 2.027 -8.684 676 HG2 GLU 80 2HG GLU 80 -7.095 2.698 -10.990 677 HG3 GLU 80 3HG GLU 80 -8.083 1.241 -11.065 678 H GLU 81 H GLU 81 -4.179 2.491 -8.934 679 HA GLU 81 HA GLU 81 -3.906 4.369 -11.038 680 HB2 GLU 81 2HB GLU 81 -2.503 4.125 -8.350 681 HB3 GLU 81 3HB GLU 81 -2.393 5.544 -9.394 682 HG2 GLU 81 2HG GLU 81 -4.971 4.462 -8.199 683 HG3 GLU 81 3HG GLU 81 -4.025 5.794 -7.527 684 H LEU 82 H LEU 82 -1.742 1.911 -9.721 685 HA LEU 82 HA LEU 82 0.627 2.528 -11.104 686 HB2 LEU 82 2HB LEU 82 -0.488 -0.040 -9.952 687 HB3 LEU 82 3HB LEU 82 1.021 -0.060 -10.848 688 HG LEU 82 HG LEU 82 0.524 1.551 -8.317 689 HD11 LEU 82 1HD1 LEU 82 2.098 -1.008 -8.711 690 HD12 LEU 82 2HD1 LEU 82 0.563 -0.845 -7.849 691 HD13 LEU 82 3HD1 LEU 82 2.010 -0.061 -7.222 692 HD21 LEU 82 3HD2 LEU 82 2.157 2.638 -9.784 693 HD22 LEU 82 1HD2 LEU 82 3.076 1.133 -9.907 694 HD23 LEU 82 2HD2 LEU 82 2.947 1.970 -8.359 695 H ARG 83 H ARG 83 -1.987 0.230 -11.906 696 HA ARG 83 HA ARG 83 -0.807 -0.763 -14.274 697 HB2 ARG 83 2HB ARG 83 -2.554 -1.943 -12.889 698 HB3 ARG 83 3HB ARG 83 -3.759 -0.825 -13.525 699 HG2 ARG 83 2HG ARG 83 -3.272 -1.658 -15.821 700 HG3 ARG 83 3HG ARG 83 -2.119 -2.803 -15.144 701 HD2 ARG 83 2HD ARG 83 -3.876 -3.998 -13.996 702 HD3 ARG 83 3HD ARG 83 -5.068 -2.767 -14.426 703 HE ARG 83 HE ARG 83 -3.689 -4.352 -16.508 704 HH11 ARG 83 1HH1 ARG 83 -6.719 -3.307 -15.030 705 HH12 ARG 83 2HH1 ARG 83 -7.694 -4.005 -16.283 706 HH21 ARG 83 1HH2 ARG 83 -4.984 -5.235 -18.128 707 HH22 ARG 83 2HH2 ARG 83 -6.711 -5.096 -18.040 708 H LYS 84 H LYS 84 -2.781 2.074 -13.698 709 HA LYS 84 HA LYS 84 -3.578 2.644 -16.375 710 HB2 LYS 84 2HB LYS 84 -3.125 4.508 -14.003 711 HB3 LYS 84 3HB LYS 84 -3.851 5.017 -15.526 712 HG2 LYS 84 2HG LYS 84 -5.744 3.499 -15.152 713 HG3 LYS 84 3HG LYS 84 -5.007 2.934 -13.647 714 HD2 LYS 84 2HD LYS 84 -5.177 5.240 -12.710 715 HD3 LYS 84 3HD LYS 84 -5.926 5.790 -14.214 716 HE2 LYS 84 2HE LYS 84 -7.840 4.312 -13.816 717 HE3 LYS 84 3HE LYS 84 -7.075 3.681 -12.360 718 HZ1 LYS 84 3HZ LYS 84 -7.147 6.003 -11.492 719 HZ2 LYS 84 1HZ LYS 84 -8.654 5.269 -11.692 720 HZ3 LYS 84 2HZ LYS 84 -8.129 6.411 -12.811 721 H ARG 85 H ARG 85 -0.758 3.647 -14.411 722 HA ARG 85 HA ARG 85 0.401 5.089 -16.732 723 HB2 ARG 85 2HB ARG 85 0.951 5.399 -13.754 724 HB3 ARG 85 3HB ARG 85 1.767 6.306 -15.028 725 HG2 ARG 85 2HG ARG 85 -0.475 7.219 -15.708 726 HG3 ARG 85 3HG ARG 85 -1.171 6.436 -14.284 727 HD2 ARG 85 2HD ARG 85 0.298 7.797 -12.829 728 HD3 ARG 85 3HD ARG 85 1.009 8.570 -14.253 729 HE ARG 85 HE ARG 85 -1.527 9.151 -13.024 730 HH11 ARG 85 1HH1 ARG 85 0.221 9.348 -16.084 731 HH12 ARG 85 2HH1 ARG 85 -0.787 10.618 -16.699 732 HH21 ARG 85 1HH2 ARG 85 -2.844 10.768 -13.881 733 HH22 ARG 85 2HH2 ARG 85 -2.516 11.416 -15.455 734 H ASP 86 H ASP 86 0.663 2.140 -15.446 735 HA ASP 86 HA ASP 86 3.230 1.547 -16.535 736 HB2 ASP 86 2HB ASP 86 3.818 2.578 -14.222 737 HB3 ASP 86 3HB ASP 86 3.051 1.172 -13.501 738 HA PRO 87 HA PRO 87 -0.035 -1.759 -16.508 739 HB2 PRO 87 2HB PRO 87 0.605 -2.859 -18.937 740 HB3 PRO 87 3HB PRO 87 -0.307 -1.338 -18.802 741 HG2 PRO 87 2HG PRO 87 2.645 -1.717 -19.283 742 HG3 PRO 87 3HG PRO 87 1.493 -0.672 -20.151 743 HD2 PRO 87 2HD PRO 87 3.105 0.333 -18.226 744 HD3 PRO 87 3HD PRO 87 1.450 0.937 -18.454 745 H ASN 88 H ASN 88 3.370 -1.894 -16.393 746 HA ASN 88 HA ASN 88 3.519 -4.833 -16.140 747 HB2 ASN 88 2HB ASN 88 5.750 -2.770 -16.423 748 HB3 ASN 88 3HB ASN 88 5.971 -4.516 -16.383 749 HD21 ASN 88 1HD2 ASN 88 5.241 -5.760 -18.193 750 HD22 ASN 88 2HD2 ASN 88 4.964 -5.021 -19.731 751 H ALA 89 H ALA 89 2.909 -2.317 -14.147 752 HA ALA 89 HA ALA 89 4.711 -2.794 -11.971 753 HB1 ALA 89 3HB ALA 89 3.583 -0.629 -12.287 754 HB2 ALA 89 1HB ALA 89 3.265 -1.297 -10.683 755 HB3 ALA 89 2HB ALA 89 2.026 -1.382 -11.940 756 H THR 90 H THR 90 4.577 -5.101 -11.880 757 HA THR 90 HA THR 90 2.220 -6.429 -10.836 758 HB THR 90 HB THR 90 5.073 -7.440 -11.292 759 HG1 THR 90 HG1 THR 90 4.254 -6.824 -13.257 760 HG21 THR 90 3HG2 THR 90 4.088 -9.694 -11.342 761 HG22 THR 90 1HG2 THR 90 2.493 -9.030 -10.977 762 HG23 THR 90 2HG2 THR 90 3.789 -8.929 -9.781 763 H ILE 91 H ILE 91 1.846 -6.532 -8.670 764 HA ILE 91 HA ILE 91 3.951 -5.611 -6.809 765 HB ILE 91 HB ILE 91 2.175 -5.045 -5.198 766 HG12 ILE 91 2HG1 ILE 91 0.417 -6.733 -6.067 767 HG13 ILE 91 3HG1 ILE 91 -0.171 -5.158 -5.569 768 HG21 ILE 91 1HG2 ILE 91 2.971 -3.332 -6.729 769 HG22 ILE 91 2HG2 ILE 91 1.269 -3.069 -6.368 770 HG23 ILE 91 3HG2 ILE 91 1.747 -3.768 -7.919 771 HD11 ILE 91 3HD1 ILE 91 -0.375 -4.491 -7.908 772 HD12 ILE 91 1HD1 ILE 91 -1.290 -5.949 -7.548 773 HD13 ILE 91 2HD1 ILE 91 0.238 -6.068 -8.410 774 H THR 92 H THR 92 4.767 -6.953 -5.327 775 HA THR 92 HA THR 92 3.740 -9.712 -5.135 776 HB THR 92 HB THR 92 6.424 -8.614 -4.146 777 HG1 THR 92 HG1 THR 92 6.888 -8.561 -6.190 778 HG21 THR 92 3HG2 THR 92 7.128 -10.979 -4.126 779 HG22 THR 92 1HG2 THR 92 5.519 -11.479 -4.653 780 HG23 THR 92 2HG2 THR 92 5.740 -10.741 -3.063 781 H ARG 93 H ARG 93 2.206 -9.719 -3.550 782 HA ARG 93 HA ARG 93 2.480 -8.118 -1.135 783 HB2 ARG 93 2HB ARG 93 0.267 -8.281 -2.157 784 HB3 ARG 93 3HB ARG 93 0.303 -10.040 -2.057 785 HG2 ARG 93 2HG ARG 93 0.302 -9.910 0.407 786 HG3 ARG 93 3HG ARG 93 0.291 -8.146 0.318 787 HD2 ARG 93 2HD ARG 93 -1.905 -8.144 -0.660 788 HD3 ARG 93 3HD ARG 93 -1.881 -9.901 -0.856 789 HE ARG 93 HE ARG 93 -1.559 -9.641 1.793 790 HH11 ARG 93 1HH1 ARG 93 -3.905 -8.168 -0.364 791 HH12 ARG 93 2HH1 ARG 93 -5.142 -8.087 0.851 792 HH21 ARG 93 1HH2 ARG 93 -3.193 -9.586 3.350 793 HH22 ARG 93 2HH2 ARG 93 -4.733 -8.895 2.956 794 H THR 94 H THR 94 3.958 -8.895 0.175 795 HA THR 94 HA THR 94 3.934 -11.722 1.049 796 HB THR 94 HB THR 94 6.031 -9.537 1.498 797 HG1 THR 94 HG1 THR 94 5.597 -11.298 -0.592 798 HG21 THR 94 3HG2 THR 94 7.507 -11.375 2.214 799 HG22 THR 94 1HG2 THR 94 6.187 -12.530 2.012 800 HG23 THR 94 2HG2 THR 94 6.082 -11.275 3.251 801 H VAL 95 H VAL 95 2.799 -12.036 2.944 802 HA VAL 95 HA VAL 95 2.081 -9.836 4.662 803 HB VAL 95 HB VAL 95 0.487 -11.632 4.480 804 HG11 VAL 95 1HG1 VAL 95 2.551 -13.565 5.582 805 HG12 VAL 95 2HG1 VAL 95 1.975 -13.503 3.917 806 HG13 VAL 95 3HG1 VAL 95 0.865 -13.948 5.213 807 HG21 VAL 95 3HG2 VAL 95 0.540 -10.504 6.656 808 HG22 VAL 95 1HG2 VAL 95 1.668 -11.715 7.273 809 HG23 VAL 95 2HG2 VAL 95 0.024 -12.182 6.831 810 H ARG 96 H ARG 96 3.641 -8.866 5.711 811 HA ARG 96 HA ARG 96 6.217 -9.977 6.195 812 HB2 ARG 96 2HB ARG 96 5.777 -7.582 5.590 813 HB3 ARG 96 3HB ARG 96 5.027 -7.338 7.156 814 HG2 ARG 96 2HG ARG 96 7.264 -6.424 7.198 815 HG3 ARG 96 3HG ARG 96 7.202 -7.834 8.258 816 HD2 ARG 96 2HD ARG 96 8.244 -9.207 6.481 817 HD3 ARG 96 3HD ARG 96 8.326 -7.784 5.432 818 HE ARG 96 HE ARG 96 9.637 -7.002 7.695 819 HH11 ARG 96 1HH1 ARG 96 10.042 -9.727 5.505 820 HH12 ARG 96 2HH1 ARG 96 11.745 -9.854 5.789 821 HH21 ARG 96 1HH2 ARG 96 11.871 -7.194 8.062 822 HH22 ARG 96 2HH2 ARG 96 12.781 -8.422 7.236 823 H THR 97 H THR 97 3.606 -8.886 8.371 824 HA THR 97 HA THR 97 4.660 -10.533 10.586 825 HB THR 97 HB THR 97 2.233 -8.677 10.569 826 HG1 THR 97 HG1 THR 97 4.886 -8.155 11.494 827 HG21 THR 97 3HG2 THR 97 2.192 -10.361 12.401 828 HG22 THR 97 1HG2 THR 97 2.451 -8.733 13.036 829 HG23 THR 97 2HG2 THR 97 3.805 -9.854 12.905 830 H GLU 98 H GLU 98 4.140 -12.635 10.056 831 HA GLU 98 HA GLU 98 1.382 -13.305 9.183 832 HB2 GLU 98 2HB GLU 98 2.298 -15.417 8.345 833 HB3 GLU 98 3HB GLU 98 3.173 -14.057 7.649 834 HG2 GLU 98 2HG GLU 98 5.011 -14.443 9.293 835 HG3 GLU 98 3HG GLU 98 4.145 -15.857 9.895 836 H VAL 99 H VAL 99 3.887 -13.858 11.579 837 HA VAL 99 HA VAL 99 1.802 -14.840 13.447 838 HB VAL 99 HB VAL 99 3.668 -15.783 14.858 839 HG11 VAL 99 1HG1 VAL 99 3.483 -16.941 12.047 840 HG12 VAL 99 2HG1 VAL 99 2.406 -17.289 13.401 841 HG13 VAL 99 3HG1 VAL 99 4.092 -17.802 13.466 842 HG21 VAL 99 3HG2 VAL 99 5.918 -16.174 13.864 843 HG22 VAL 99 1HG2 VAL 99 5.575 -14.452 14.051 844 HG23 VAL 99 2HG2 VAL 99 5.461 -15.204 12.460 845 H GLY 100 H GLY 100 1.247 -13.397 14.961 846 HA2 GLY 100 2HA GLY 100 2.474 -10.790 15.123 847 HA3 GLY 100 3HA GLY 100 1.092 -11.360 16.041 848 H SER 101 H SER 101 2.415 -13.683 17.113 849 HA SER 101 HA SER 101 4.663 -12.727 18.708 850 HB2 SER 101 2HB SER 101 2.699 -12.007 20.034 851 HB3 SER 101 3HB SER 101 2.038 -13.641 19.979 852 HG SER 101 HG SER 101 3.436 -14.271 21.454 853 H SER 102 H SER 102 6.010 -14.372 19.250 854 HA SER 102 HA SER 102 5.205 -17.196 18.992 855 HB2 SER 102 2HB SER 102 6.214 -16.452 16.790 856 HB3 SER 102 3HB SER 102 7.688 -15.999 17.647 857 HG SER 102 HG SER 102 8.276 -18.015 17.568 858 H TRP 103 H TRP 103 5.368 -17.441 21.214 859 HA TRP 103 HA TRP 103 7.795 -16.479 22.612 860 HB2 TRP 103 2HB TRP 103 5.507 -15.584 23.295 861 HB3 TRP 103 3HB TRP 103 5.087 -17.209 23.823 862 HD1 TRP 103 HD1 TRP 103 8.460 -15.418 24.552 863 HE1 TRP 103 HE1 TRP 103 8.713 -15.172 27.097 864 HE3 TRP 103 HE3 TRP 103 3.888 -17.203 26.021 865 HZ2 TRP 103 HZ2 TRP 103 7.201 -15.648 29.414 866 HZ3 TRP 103 HZ3 TRP 103 3.368 -17.259 28.431 867 HH2 TRP 103 HH2 TRP 103 4.994 -16.496 30.092 868 H SER 104 H SER 104 9.243 -18.084 22.778 869 HA SER 104 HA SER 104 8.406 -20.822 23.552 870 HB2 SER 104 2HB SER 104 10.974 -19.909 22.172 871 HB3 SER 104 3HB SER 104 10.557 -21.576 22.574 872 HG SER 104 HG SER 104 8.590 -21.098 21.234 873 H LEU 105 H LEU 105 9.022 -21.557 25.486 874 HA LEU 105 HA LEU 105 10.771 -19.901 27.223 875 HB2 LEU 105 2HB LEU 105 8.568 -21.865 28.016 876 HB3 LEU 105 3HB LEU 105 9.584 -20.975 29.131 877 HG LEU 105 HG LEU 105 8.530 -18.826 28.162 878 HD11 LEU 105 1HD1 LEU 105 6.311 -19.030 27.125 879 HD12 LEU 105 2HD1 LEU 105 6.511 -20.783 27.037 880 HD13 LEU 105 3HD1 LEU 105 7.574 -19.722 26.110 881 HD21 LEU 105 3HD2 LEU 105 6.734 -20.743 29.683 882 HD22 LEU 105 1HD2 LEU 105 6.552 -18.985 29.602 883 HD23 LEU 105 2HD2 LEU 105 7.965 -19.690 30.385 884 H GLU 106 H GLU 106 12.747 -20.821 27.605 885 HA GLU 106 HA GLU 106 13.142 -23.702 27.231 886 HB2 GLU 106 2HB GLU 106 14.842 -22.110 26.311 887 HB3 GLU 106 3HB GLU 106 15.223 -21.590 27.953 888 HG2 GLU 106 2HG GLU 106 15.859 -23.988 28.474 889 HG3 GLU 106 3HG GLU 106 15.640 -24.360 26.766 890 H HIS 107 H HIS 107 13.159 -25.092 28.824 891 HA HIS 107 HA HIS 107 14.091 -24.533 31.492 892 HB2 HIS 107 2HB HIS 107 11.972 -25.401 32.594 893 HB3 HIS 107 3HB HIS 107 11.808 -23.816 31.857 894 HD1 HIS 107 HD1 HIS 107 10.364 -27.169 31.865 895 HD2 HIS 107 HD2 HIS 107 10.284 -23.859 29.363 896 HE1 HIS 107 HE1 HIS 107 8.417 -27.534 30.323 897 HE2 HIS 107 HE2 HIS 107 8.502 -25.589 28.722 898 H HIS 108 H HIS 108 15.644 -26.028 31.166 899 HA HIS 108 HA HIS 108 14.898 -28.852 30.816 900 HB2 HIS 108 2HB HIS 108 15.279 -27.894 28.520 901 HB3 HIS 108 3HB HIS 108 16.913 -27.449 28.988 902 HD1 HIS 108 HD1 HIS 108 14.894 -30.235 27.679 903 HD2 HIS 108 HD2 HIS 108 18.663 -29.769 29.379 904 HE1 HIS 108 HE1 HIS 108 16.151 -32.341 27.136 905 HE2 HIS 108 HE2 HIS 108 18.476 -31.946 28.006 906 H HIS 109 H HIS 109 15.627 -29.330 32.871 907 HA HIS 109 HA HIS 109 18.541 -29.613 33.104 908 HB2 HIS 109 2HB HIS 109 16.794 -28.407 35.304 909 HB3 HIS 109 3HB HIS 109 18.416 -29.031 35.589 910 HD1 HIS 109 HD1 HIS 109 16.670 -25.978 34.727 911 HD2 HIS 109 HD2 HIS 109 20.438 -27.555 33.958 912 HE1 HIS 109 HE1 HIS 109 18.062 -24.052 33.928 913 HE2 HIS 109 HE2 HIS 109 20.380 -24.995 33.688 914 H HIS 110 H HIS 110 19.145 -31.538 33.973 915 HA HIS 110 HA HIS 110 17.285 -33.345 35.256 916 HB2 HIS 110 2HB HIS 110 17.369 -35.087 33.495 917 HB3 HIS 110 3HB HIS 110 16.658 -33.612 32.853 918 HD1 HIS 110 HD1 HIS 110 19.530 -35.926 32.439 919 HD2 HIS 110 HD2 HIS 110 18.317 -32.245 30.916 920 HE1 HIS 110 HE1 HIS 110 21.019 -35.480 30.464 921 HE2 HIS 110 HE2 HIS 110 20.117 -33.368 29.452 922 H HIS 111 H HIS 111 18.474 -34.347 36.766 923 HA HIS 111 HA HIS 111 20.470 -36.179 36.192 924 HB2 HIS 111 2HB HIS 111 22.458 -35.321 37.406 925 HB3 HIS 111 3HB HIS 111 22.096 -34.349 35.996 926 HD1 HIS 111 HD1 HIS 111 21.189 -31.913 36.438 927 HD2 HIS 111 HD2 HIS 111 22.457 -33.946 39.837 928 HE1 HIS 111 HE1 HIS 111 21.474 -30.164 38.211 929 HE2 HIS 111 HE2 HIS 111 22.070 -31.440 40.293 930 H HIS 112 H HIS 112 19.836 -37.728 37.557 931 HA HIS 112 HA HIS 112 18.855 -37.013 40.265 932 HB2 HIS 112 2HB HIS 112 17.190 -38.168 38.824 933 HB3 HIS 112 3HB HIS 112 18.295 -39.523 38.610 934 HD1 HIS 112 HD1 HIS 112 16.592 -37.711 41.514 935 HD2 HIS 112 HD2 HIS 112 17.793 -41.540 40.413 936 HE1 HIS 112 HE1 HIS 112 15.813 -39.219 43.354 937 HE2 HIS 112 HE2 HIS 112 16.570 -41.525 42.684 Start of MODEL 17 1 H1 MET 1 1H MET 1 -5.428 -3.074 21.138 2 H2 MET 1 2H MET 1 -3.739 -3.138 21.181 3 H3 MET 1 3H MET 1 -4.635 -4.561 21.037 4 HA MET 1 HA MET 1 -5.388 -4.014 18.904 5 HB2 MET 1 2HB MET 1 -4.708 -1.904 17.791 6 HB3 MET 1 3HB MET 1 -5.682 -1.609 19.220 7 HG2 MET 1 2HG MET 1 -3.571 -1.088 20.472 8 HG3 MET 1 3HG MET 1 -2.690 -1.224 18.949 9 HE1 MET 1 3HE MET 1 -3.395 0.314 16.769 10 HE2 MET 1 1HE MET 1 -4.467 1.704 16.892 11 HE3 MET 1 2HE MET 1 -5.126 0.074 17.004 12 H LEU 2 H LEU 2 -4.198 -4.794 17.149 13 HA LEU 2 HA LEU 2 -1.395 -5.551 17.761 14 HB2 LEU 2 2HB LEU 2 -1.775 -7.518 16.275 15 HB3 LEU 2 3HB LEU 2 -2.802 -7.486 17.690 16 HG LEU 2 HG LEU 2 -4.676 -6.588 16.131 17 HD11 LEU 2 1HD1 LEU 2 -3.309 -5.957 14.193 18 HD12 LEU 2 2HD1 LEU 2 -4.528 -7.140 13.752 19 HD13 LEU 2 3HD1 LEU 2 -2.850 -7.645 13.949 20 HD21 LEU 2 3HD2 LEU 2 -3.676 -9.416 15.690 21 HD22 LEU 2 1HD2 LEU 2 -5.321 -8.833 15.418 22 HD23 LEU 2 2HD2 LEU 2 -4.658 -8.866 17.051 23 H THR 3 H THR 3 0.118 -5.722 15.984 24 HA THR 3 HA THR 3 -0.415 -3.842 13.753 25 HB THR 3 HB THR 3 2.279 -4.814 14.819 26 HG1 THR 3 HG1 THR 3 0.765 -3.271 16.101 27 HG21 THR 3 3HG2 THR 3 2.345 -4.086 12.444 28 HG22 THR 3 1HG2 THR 3 3.229 -2.968 13.488 29 HG23 THR 3 2HG2 THR 3 1.618 -2.546 12.905 30 H VAL 4 H VAL 4 -0.511 -4.667 11.722 31 HA VAL 4 HA VAL 4 0.626 -7.341 11.133 32 HB VAL 4 HB VAL 4 -1.853 -7.201 10.811 33 HG11 VAL 4 1HG1 VAL 4 -2.055 -4.823 10.208 34 HG12 VAL 4 2HG1 VAL 4 -2.845 -5.853 9.015 35 HG13 VAL 4 3HG1 VAL 4 -1.271 -5.139 8.656 36 HG21 VAL 4 3HG2 VAL 4 -1.957 -8.176 8.538 37 HG22 VAL 4 1HG2 VAL 4 -0.580 -8.803 9.447 38 HG23 VAL 4 2HG2 VAL 4 -0.329 -7.577 8.201 39 H GLU 5 H GLU 5 2.014 -7.499 9.385 40 HA GLU 5 HA GLU 5 2.897 -5.075 7.973 41 HB2 GLU 5 2HB GLU 5 4.749 -7.006 9.459 42 HB3 GLU 5 3HB GLU 5 5.286 -5.705 8.397 43 HG2 GLU 5 2HG GLU 5 4.264 -4.050 9.942 44 HG3 GLU 5 3HG GLU 5 3.781 -5.363 11.013 45 H VAL 6 H VAL 6 2.827 -5.519 5.881 46 HA VAL 6 HA VAL 6 3.585 -8.192 4.889 47 HB VAL 6 HB VAL 6 1.168 -8.059 4.670 48 HG11 VAL 6 1HG1 VAL 6 1.499 -5.477 3.099 49 HG12 VAL 6 2HG1 VAL 6 0.838 -5.619 4.730 50 HG13 VAL 6 3HG1 VAL 6 -0.017 -6.345 3.369 51 HG21 VAL 6 3HG2 VAL 6 0.893 -8.410 2.247 52 HG22 VAL 6 1HG2 VAL 6 2.373 -9.165 2.835 53 HG23 VAL 6 2HG2 VAL 6 2.455 -7.647 1.943 54 H GLU 7 H GLU 7 5.130 -8.192 3.462 55 HA GLU 7 HA GLU 7 6.385 -5.763 2.448 56 HB2 GLU 7 2HB GLU 7 7.749 -7.509 3.553 57 HB3 GLU 7 3HB GLU 7 7.158 -8.718 2.420 58 HG2 GLU 7 2HG GLU 7 8.293 -7.472 0.569 59 HG3 GLU 7 3HG GLU 7 8.957 -6.360 1.771 60 H VAL 8 H VAL 8 5.785 -5.054 0.449 61 HA VAL 8 HA VAL 8 4.698 -6.948 -1.550 62 HB VAL 8 HB VAL 8 4.053 -3.977 -1.295 63 HG11 VAL 8 1HG1 VAL 8 2.886 -6.095 -3.145 64 HG12 VAL 8 2HG1 VAL 8 3.925 -4.752 -3.625 65 HG13 VAL 8 3HG1 VAL 8 2.303 -4.433 -3.009 66 HG21 VAL 8 3HG2 VAL 8 2.312 -6.374 -0.566 67 HG22 VAL 8 1HG2 VAL 8 1.786 -4.687 -0.554 68 HG23 VAL 8 2HG2 VAL 8 3.029 -5.233 0.573 69 H LYS 9 H LYS 9 5.998 -7.251 -3.253 70 HA LYS 9 HA LYS 9 8.142 -5.359 -3.903 71 HB2 LYS 9 2HB LYS 9 7.694 -8.287 -4.317 72 HB3 LYS 9 3HB LYS 9 8.511 -7.481 -5.644 73 HG2 LYS 9 2HG LYS 9 10.113 -8.445 -4.088 74 HG3 LYS 9 3HG LYS 9 10.264 -6.697 -4.163 75 HD2 LYS 9 2HD LYS 9 8.986 -6.531 -2.015 76 HD3 LYS 9 3HD LYS 9 8.940 -8.295 -1.945 77 HE2 LYS 9 2HE LYS 9 11.476 -6.619 -1.951 78 HE3 LYS 9 3HE LYS 9 10.732 -7.334 -0.523 79 HZ1 LYS 9 3HZ LYS 9 11.103 -9.525 -1.464 80 HZ2 LYS 9 1HZ LYS 9 12.556 -8.675 -1.334 81 HZ3 LYS 9 2HZ LYS 9 11.812 -8.846 -2.840 82 H ILE 10 H ILE 10 7.658 -3.797 -5.319 83 HA ILE 10 HA ILE 10 5.695 -4.278 -7.489 84 HB ILE 10 HB ILE 10 6.685 -1.568 -6.480 85 HG12 ILE 10 2HG1 ILE 10 4.140 -1.375 -5.755 86 HG13 ILE 10 3HG1 ILE 10 4.191 -3.130 -5.742 87 HG21 ILE 10 1HG2 ILE 10 4.465 -2.209 -8.459 88 HG22 ILE 10 2HG2 ILE 10 6.043 -1.528 -8.856 89 HG23 ILE 10 3HG2 ILE 10 4.903 -0.594 -7.889 90 HD11 ILE 10 3HD1 ILE 10 4.527 -2.191 -3.540 91 HD12 ILE 10 1HD1 ILE 10 5.935 -1.298 -4.110 92 HD13 ILE 10 2HD1 ILE 10 5.963 -3.065 -4.072 93 H THR 11 H THR 11 6.867 -4.983 -9.198 94 HA THR 11 HA THR 11 9.268 -3.474 -10.055 95 HB THR 11 HB THR 11 9.722 -5.829 -10.061 96 HG1 THR 11 HG1 THR 11 10.626 -4.858 -11.835 97 HG21 THR 11 3HG2 THR 11 7.435 -6.754 -10.119 98 HG22 THR 11 1HG2 THR 11 8.442 -7.501 -11.364 99 HG23 THR 11 2HG2 THR 11 7.266 -6.261 -11.805 100 H ALA 12 H ALA 12 8.919 -1.859 -11.403 101 HA ALA 12 HA ALA 12 6.596 -1.818 -13.252 102 HB1 ALA 12 3HB ALA 12 6.184 0.537 -12.655 103 HB2 ALA 12 1HB ALA 12 7.471 0.473 -11.446 104 HB3 ALA 12 2HB ALA 12 6.016 -0.507 -11.243 105 H ASP 13 H ASP 13 6.951 0.467 -14.599 106 HA ASP 13 HA ASP 13 9.083 0.117 -16.367 107 HB2 ASP 13 2HB ASP 13 8.506 2.298 -17.301 108 HB3 ASP 13 3HB ASP 13 7.033 1.441 -16.878 109 H ASP 14 H ASP 14 8.825 2.189 -13.522 110 HA ASP 14 HA ASP 14 11.716 2.167 -13.188 111 HB2 ASP 14 2HB ASP 14 11.448 4.246 -14.444 112 HB3 ASP 14 3HB ASP 14 10.101 4.745 -13.427 113 H GLU 15 H GLU 15 12.323 2.200 -11.127 114 HA GLU 15 HA GLU 15 10.583 1.465 -9.053 115 HB2 GLU 15 2HB GLU 15 12.626 1.651 -7.628 116 HB3 GLU 15 3HB GLU 15 12.897 0.753 -9.115 117 HG2 GLU 15 2HG GLU 15 13.797 2.958 -10.098 118 HG3 GLU 15 3HG GLU 15 13.827 3.560 -8.444 119 H ASN 16 H ASN 16 11.947 4.639 -9.903 120 HA ASN 16 HA ASN 16 11.159 5.931 -7.430 121 HB2 ASN 16 2HB ASN 16 11.944 7.280 -10.058 122 HB3 ASN 16 3HB ASN 16 11.886 8.035 -8.460 123 HD21 ASN 16 1HD2 ASN 16 13.623 5.803 -10.525 124 HD22 ASN 16 2HD2 ASN 16 15.076 5.768 -9.582 125 H LYS 17 H LYS 17 9.892 5.613 -10.725 126 HA LYS 17 HA LYS 17 7.578 7.208 -10.583 127 HB2 LYS 17 2HB LYS 17 8.319 4.719 -12.153 128 HB3 LYS 17 3HB LYS 17 6.656 5.288 -12.217 129 HG2 LYS 17 2HG LYS 17 9.052 6.975 -12.989 130 HG3 LYS 17 3HG LYS 17 8.088 6.020 -14.124 131 HD2 LYS 17 2HD LYS 17 6.045 7.369 -13.174 132 HD3 LYS 17 3HD LYS 17 7.264 8.484 -12.541 133 HE2 LYS 17 2HE LYS 17 6.348 9.191 -14.748 134 HE3 LYS 17 3HE LYS 17 8.090 8.908 -14.804 135 HZ1 LYS 17 3HZ LYS 17 6.018 6.968 -15.683 136 HZ2 LYS 17 1HZ LYS 17 7.693 6.761 -15.813 137 HZ3 LYS 17 2HZ LYS 17 6.911 7.959 -16.715 138 H ALA 18 H ALA 18 8.007 3.743 -9.903 139 HA ALA 18 HA ALA 18 5.422 3.108 -9.067 140 HB1 ALA 18 3HB ALA 18 7.108 1.413 -9.683 141 HB2 ALA 18 1HB ALA 18 6.419 1.081 -8.091 142 HB3 ALA 18 2HB ALA 18 8.030 1.791 -8.230 143 H GLU 19 H GLU 19 8.203 4.349 -7.222 144 HA GLU 19 HA GLU 19 7.051 4.124 -4.647 145 HB2 GLU 19 2HB GLU 19 9.478 4.463 -4.906 146 HB3 GLU 19 3HB GLU 19 9.203 6.061 -5.597 147 HG2 GLU 19 2HG GLU 19 8.189 6.813 -3.459 148 HG3 GLU 19 3HG GLU 19 8.463 5.216 -2.771 149 H GLU 20 H GLU 20 7.138 6.833 -6.996 150 HA GLU 20 HA GLU 20 5.865 8.818 -5.477 151 HB2 GLU 20 2HB GLU 20 5.816 8.372 -8.491 152 HB3 GLU 20 3HB GLU 20 5.234 9.841 -7.708 153 HG2 GLU 20 2HG GLU 20 7.468 10.367 -6.929 154 HG3 GLU 20 3HG GLU 20 8.091 8.839 -7.531 155 H ILE 21 H ILE 21 4.491 6.401 -7.698 156 HA ILE 21 HA ILE 21 1.798 7.299 -7.629 157 HB ILE 21 HB ILE 21 2.837 4.507 -8.306 158 HG12 ILE 21 2HG1 ILE 21 2.251 6.845 -10.181 159 HG13 ILE 21 3HG1 ILE 21 3.860 6.343 -9.683 160 HG21 ILE 21 1HG2 ILE 21 0.730 4.222 -9.586 161 HG22 ILE 21 2HG2 ILE 21 0.174 5.806 -9.039 162 HG23 ILE 21 3HG2 ILE 21 0.402 4.499 -7.875 163 HD11 ILE 21 3HD1 ILE 21 3.348 5.562 -11.901 164 HD12 ILE 21 1HD1 ILE 21 1.922 4.711 -11.313 165 HD13 ILE 21 2HD1 ILE 21 3.533 4.194 -10.803 166 H VAL 22 H VAL 22 3.428 4.553 -6.019 167 HA VAL 22 HA VAL 22 1.211 3.605 -4.576 168 HB VAL 22 HB VAL 22 4.203 3.241 -4.113 169 HG11 VAL 22 1HG1 VAL 22 1.939 1.827 -2.659 170 HG12 VAL 22 2HG1 VAL 22 3.109 2.934 -1.937 171 HG13 VAL 22 3HG1 VAL 22 3.647 1.378 -2.568 172 HG21 VAL 22 3HG2 VAL 22 3.288 2.220 -6.170 173 HG22 VAL 22 1HG2 VAL 22 2.077 1.360 -5.213 174 HG23 VAL 22 2HG2 VAL 22 3.791 0.973 -5.026 175 H LYS 23 H LYS 23 3.846 5.844 -3.510 176 HA LYS 23 HA LYS 23 2.976 6.256 -0.882 177 HB2 LYS 23 2HB LYS 23 4.511 8.134 -2.717 178 HB3 LYS 23 3HB LYS 23 4.161 8.519 -1.032 179 HG2 LYS 23 2HG LYS 23 5.390 6.417 -0.377 180 HG3 LYS 23 3HG LYS 23 5.875 6.238 -2.066 181 HD2 LYS 23 2HD LYS 23 7.677 7.306 -0.819 182 HD3 LYS 23 3HD LYS 23 6.993 8.470 -1.956 183 HE2 LYS 23 2HE LYS 23 5.690 9.494 -0.097 184 HE3 LYS 23 3HE LYS 23 6.389 8.324 1.025 185 HZ1 LYS 23 3HZ LYS 23 8.568 9.244 0.580 186 HZ2 LYS 23 1HZ LYS 23 7.512 10.460 1.102 187 HZ3 LYS 23 2HZ LYS 23 7.914 10.335 -0.534 188 H ARG 24 H ARG 24 2.123 8.085 -3.840 189 HA ARG 24 HA ARG 24 0.510 10.056 -2.664 190 HB2 ARG 24 2HB ARG 24 1.199 10.328 -4.996 191 HB3 ARG 24 3HB ARG 24 0.350 8.854 -5.463 192 HG2 ARG 24 2HG ARG 24 -1.816 9.934 -4.824 193 HG3 ARG 24 3HG ARG 24 -0.941 11.420 -4.465 194 HD2 ARG 24 2HD ARG 24 -0.368 11.720 -6.786 195 HD3 ARG 24 3HD ARG 24 -0.984 10.115 -7.206 196 HE ARG 24 HE ARG 24 -3.208 11.005 -6.381 197 HH11 ARG 24 1HH1 ARG 24 -0.863 13.159 -7.912 198 HH12 ARG 24 2HH1 ARG 24 -2.084 14.268 -8.444 199 HH21 ARG 24 1HH2 ARG 24 -4.748 12.504 -7.004 200 HH22 ARG 24 2HH2 ARG 24 -4.286 13.898 -7.929 201 H VAL 25 H VAL 25 -0.431 6.998 -4.205 202 HA VAL 25 HA VAL 25 -3.209 7.353 -3.905 203 HB VAL 25 HB VAL 25 -1.651 4.796 -4.496 204 HG11 VAL 25 1HG1 VAL 25 -4.588 5.446 -4.917 205 HG12 VAL 25 2HG1 VAL 25 -3.930 4.290 -3.757 206 HG13 VAL 25 3HG1 VAL 25 -3.775 3.984 -5.485 207 HG21 VAL 25 3HG2 VAL 25 -2.955 6.758 -6.434 208 HG22 VAL 25 1HG2 VAL 25 -2.111 5.270 -6.874 209 HG23 VAL 25 2HG2 VAL 25 -1.221 6.612 -6.154 210 H ILE 26 H ILE 26 -0.817 5.526 -1.983 211 HA ILE 26 HA ILE 26 -2.515 4.320 -0.106 212 HB ILE 26 HB ILE 26 0.320 5.379 0.272 213 HG12 ILE 26 2HG1 ILE 26 -0.733 2.533 -0.021 214 HG13 ILE 26 3HG1 ILE 26 0.137 3.439 -1.245 215 HG21 ILE 26 1HG2 ILE 26 -1.294 3.737 2.278 216 HG22 ILE 26 2HG2 ILE 26 -0.780 5.413 2.477 217 HG23 ILE 26 3HG2 ILE 26 0.423 4.132 2.421 218 HD11 ILE 26 3HD1 ILE 26 2.117 3.465 0.219 219 HD12 ILE 26 1HD1 ILE 26 1.580 1.838 -0.200 220 HD13 ILE 26 2HD1 ILE 26 1.231 2.490 1.397 221 H ASP 27 H ASP 27 -0.930 7.528 -0.077 222 HA ASP 27 HA ASP 27 -1.825 8.408 2.440 223 HB2 ASP 27 2HB ASP 27 0.036 9.471 1.217 224 HB3 ASP 27 3HB ASP 27 -1.076 10.033 -0.024 225 H GLU 28 H GLU 28 -3.288 8.763 -0.782 226 HA GLU 28 HA GLU 28 -5.395 10.529 -0.079 227 HB2 GLU 28 2HB GLU 28 -5.264 8.521 -2.367 228 HB3 GLU 28 3HB GLU 28 -6.424 9.844 -2.234 229 HG2 GLU 28 2HG GLU 28 -4.615 11.485 -2.418 230 HG3 GLU 28 3HG GLU 28 -3.419 10.189 -2.458 231 H VAL 29 H VAL 29 -5.173 6.984 -0.222 232 HA VAL 29 HA VAL 29 -7.922 6.533 0.589 233 HB VAL 29 HB VAL 29 -5.590 4.552 0.537 234 HG11 VAL 29 1HG1 VAL 29 -8.592 4.032 0.629 235 HG12 VAL 29 2HG1 VAL 29 -7.450 3.739 1.939 236 HG13 VAL 29 3HG1 VAL 29 -7.347 2.789 0.457 237 HG21 VAL 29 3HG2 VAL 29 -6.451 3.829 -1.658 238 HG22 VAL 29 1HG2 VAL 29 -6.011 5.538 -1.692 239 HG23 VAL 29 2HG2 VAL 29 -7.707 5.068 -1.586 240 H GLU 30 H GLU 30 -4.876 7.020 2.203 241 HA GLU 30 HA GLU 30 -5.354 5.588 4.632 242 HB2 GLU 30 2HB GLU 30 -3.081 6.045 3.818 243 HB3 GLU 30 3HB GLU 30 -3.358 7.776 3.944 244 HG2 GLU 30 2HG GLU 30 -3.569 7.511 6.428 245 HG3 GLU 30 3HG GLU 30 -3.169 5.805 6.236 246 H ARG 31 H ARG 31 -5.626 8.970 3.645 247 HA ARG 31 HA ARG 31 -6.414 9.976 6.205 248 HB2 ARG 31 2HB ARG 31 -6.846 12.089 4.998 249 HB3 ARG 31 3HB ARG 31 -5.283 11.403 4.579 250 HG2 ARG 31 2HG ARG 31 -6.613 10.390 2.514 251 HG3 ARG 31 3HG ARG 31 -7.751 11.696 2.863 252 HD2 ARG 31 2HD ARG 31 -4.801 11.945 2.160 253 HD3 ARG 31 3HD ARG 31 -6.171 12.461 1.180 254 HE ARG 31 HE ARG 31 -6.617 14.162 2.910 255 HH11 ARG 31 1HH1 ARG 31 -3.360 12.846 2.723 256 HH12 ARG 31 2HH1 ARG 31 -2.634 14.238 3.458 257 HH21 ARG 31 1HH2 ARG 31 -5.642 15.981 3.855 258 HH22 ARG 31 2HH2 ARG 31 -3.926 16.012 4.096 259 H GLU 32 H GLU 32 -8.095 8.648 3.430 260 HA GLU 32 HA GLU 32 -10.783 9.187 4.290 261 HB2 GLU 32 2HB GLU 32 -9.575 7.199 2.327 262 HB3 GLU 32 3HB GLU 32 -11.311 7.319 2.606 263 HG2 GLU 32 2HG GLU 32 -9.531 9.542 1.568 264 HG3 GLU 32 3HG GLU 32 -10.589 8.533 0.584 265 H VAL 33 H VAL 33 -8.444 6.607 4.801 266 HA VAL 33 HA VAL 33 -10.183 4.733 6.058 267 HB VAL 33 HB VAL 33 -7.159 4.976 5.858 268 HG11 VAL 33 1HG1 VAL 33 -7.556 4.117 8.127 269 HG12 VAL 33 2HG1 VAL 33 -6.893 2.854 7.095 270 HG13 VAL 33 3HG1 VAL 33 -8.613 2.860 7.482 271 HG21 VAL 33 3HG2 VAL 33 -9.091 2.815 4.911 272 HG22 VAL 33 1HG2 VAL 33 -7.344 2.814 4.646 273 HG23 VAL 33 2HG2 VAL 33 -8.350 4.053 3.897 274 H GLN 34 H GLN 34 -8.068 7.350 7.205 275 HA GLN 34 HA GLN 34 -8.243 6.815 9.984 276 HB2 GLN 34 2HB GLN 34 -7.556 9.339 8.436 277 HB3 GLN 34 3HB GLN 34 -7.544 9.292 10.196 278 HG2 GLN 34 2HG GLN 34 -5.841 7.504 8.422 279 HG3 GLN 34 3HG GLN 34 -5.291 9.013 9.150 280 HE21 GLN 34 1HE2 GLN 34 -6.115 5.670 9.761 281 HE22 GLN 34 2HE2 GLN 34 -5.480 5.607 11.361 282 H LYS 35 H LYS 35 -10.479 8.299 7.760 283 HA LYS 35 HA LYS 35 -12.136 9.644 9.671 284 HB2 LYS 35 2HB LYS 35 -12.953 8.492 6.962 285 HB3 LYS 35 3HB LYS 35 -13.837 9.705 7.888 286 HG2 LYS 35 2HG LYS 35 -11.118 10.052 6.586 287 HG3 LYS 35 3HG LYS 35 -12.647 10.729 6.017 288 HD2 LYS 35 2HD LYS 35 -12.800 12.137 8.035 289 HD3 LYS 35 3HD LYS 35 -11.324 11.413 8.681 290 HE2 LYS 35 2HE LYS 35 -10.063 12.336 6.751 291 HE3 LYS 35 3HE LYS 35 -11.543 13.106 6.174 292 HZ1 LYS 35 3HZ LYS 35 -10.239 13.644 8.784 293 HZ2 LYS 35 1HZ LYS 35 -11.624 14.408 8.185 294 HZ3 LYS 35 2HZ LYS 35 -10.136 14.630 7.414 295 H GLN 36 H GLN 36 -12.043 6.427 8.258 296 HA GLN 36 HA GLN 36 -14.526 5.523 9.527 297 HB2 GLN 36 2HB GLN 36 -12.616 4.026 7.676 298 HB3 GLN 36 3HB GLN 36 -14.275 3.572 8.071 299 HG2 GLN 36 2HG GLN 36 -15.142 5.490 6.859 300 HG3 GLN 36 3HG GLN 36 -13.512 6.106 6.580 301 HE21 GLN 36 1HE2 GLN 36 -15.567 5.440 4.617 302 HE22 GLN 36 2HE2 GLN 36 -14.868 4.256 3.571 303 H TYR 37 H TYR 37 -11.138 5.350 10.019 304 HA TYR 37 HA TYR 37 -11.298 3.433 12.231 305 HB2 TYR 37 2HB TYR 37 -9.141 3.239 10.061 306 HB3 TYR 37 3HB TYR 37 -9.333 2.179 11.442 307 HD1 TYR 37 HD1 TYR 37 -11.137 0.415 11.424 308 HD2 TYR 37 HD2 TYR 37 -10.426 2.894 8.011 309 HE1 TYR 37 HE1 TYR 37 -12.391 -1.158 10.008 310 HE2 TYR 37 HE2 TYR 37 -11.681 1.324 6.603 311 HH TYR 37 HH TYR 37 -12.337 -1.083 6.627 312 HA PRO 38 HA PRO 38 -8.677 7.330 12.955 313 HB2 PRO 38 2HB PRO 38 -9.934 8.259 15.204 314 HB3 PRO 38 3HB PRO 38 -10.554 8.601 13.573 315 HG2 PRO 38 2HG PRO 38 -11.459 6.483 15.519 316 HG3 PRO 38 3HG PRO 38 -12.439 7.611 14.551 317 HD2 PRO 38 2HD PRO 38 -12.022 5.029 13.773 318 HD3 PRO 38 3HD PRO 38 -12.217 6.348 12.599 319 H ASN 39 H ASN 39 -9.699 4.656 14.888 320 HA ASN 39 HA ASN 39 -7.842 4.893 17.053 321 HB2 ASN 39 2HB ASN 39 -9.370 2.450 16.056 322 HB3 ASN 39 3HB ASN 39 -8.602 2.609 17.633 323 HD21 ASN 39 1HD2 ASN 39 -9.430 5.239 18.295 324 HD22 ASN 39 2HD2 ASN 39 -11.146 5.219 18.512 325 H ALA 40 H ALA 40 -7.539 3.833 13.794 326 HA ALA 40 HA ALA 40 -5.414 1.904 14.234 327 HB1 ALA 40 3HB ALA 40 -7.036 1.557 12.427 328 HB2 ALA 40 1HB ALA 40 -5.401 1.701 11.775 329 HB3 ALA 40 2HB ALA 40 -6.526 3.058 11.655 330 H THR 41 H THR 41 -3.282 2.254 14.078 331 HA THR 41 HA THR 41 -2.163 4.853 13.280 332 HB THR 41 HB THR 41 -0.830 2.472 14.675 333 HG1 THR 41 HG1 THR 41 -2.415 4.425 15.631 334 HG21 THR 41 3HG2 THR 41 1.007 4.046 15.192 335 HG22 THR 41 1HG2 THR 41 0.209 5.303 14.250 336 HG23 THR 41 2HG2 THR 41 0.819 3.852 13.447 337 H ILE 42 H ILE 42 -1.501 4.940 11.205 338 HA ILE 42 HA ILE 42 -0.853 2.457 9.719 339 HB ILE 42 HB ILE 42 -1.826 5.122 8.577 340 HG12 ILE 42 2HG1 ILE 42 -3.462 2.592 9.105 341 HG13 ILE 42 3HG1 ILE 42 -3.577 4.082 10.037 342 HG21 ILE 42 1HG2 ILE 42 -1.654 2.376 7.286 343 HG22 ILE 42 2HG2 ILE 42 -0.571 3.732 6.968 344 HG23 ILE 42 3HG2 ILE 42 -2.274 3.842 6.521 345 HD11 ILE 42 3HD1 ILE 42 -4.323 3.715 7.135 346 HD12 ILE 42 1HD1 ILE 42 -4.365 5.251 8.009 347 HD13 ILE 42 2HD1 ILE 42 -5.411 3.924 8.507 348 H THR 43 H THR 43 1.206 2.248 9.090 349 HA THR 43 HA THR 43 3.002 4.574 8.794 350 HB THR 43 HB THR 43 3.661 1.983 10.274 351 HG1 THR 43 HG1 THR 43 2.502 4.205 11.128 352 HG21 THR 43 3HG2 THR 43 5.641 2.895 9.071 353 HG22 THR 43 1HG2 THR 43 5.823 3.030 10.823 354 HG23 THR 43 2HG2 THR 43 5.397 4.451 9.865 355 H ARG 44 H ARG 44 4.209 4.491 6.945 356 HA ARG 44 HA ARG 44 4.537 1.934 5.482 357 HB2 ARG 44 2HB ARG 44 3.633 4.613 4.376 358 HB3 ARG 44 3HB ARG 44 4.536 3.516 3.345 359 HG2 ARG 44 2HG ARG 44 2.247 3.164 2.847 360 HG3 ARG 44 3HG ARG 44 2.776 1.766 3.781 361 HD2 ARG 44 2HD ARG 44 1.734 2.834 5.818 362 HD3 ARG 44 3HD ARG 44 1.096 4.095 4.761 363 HE ARG 44 HE ARG 44 -0.281 2.468 3.686 364 HH11 ARG 44 1HH1 ARG 44 1.292 1.266 6.587 365 HH12 ARG 44 2HH1 ARG 44 0.172 -0.036 6.806 366 HH21 ARG 44 1HH2 ARG 44 -1.760 0.784 3.986 367 HH22 ARG 44 2HH2 ARG 44 -1.577 -0.309 5.315 368 H THR 45 H THR 45 6.402 1.742 4.211 369 HA THR 45 HA THR 45 8.452 3.817 4.160 370 HB THR 45 HB THR 45 9.013 1.069 5.388 371 HG1 THR 45 HG1 THR 45 8.641 3.634 6.468 372 HG21 THR 45 3HG2 THR 45 10.929 1.839 4.026 373 HG22 THR 45 1HG2 THR 45 11.326 1.891 5.746 374 HG23 THR 45 2HG2 THR 45 10.932 3.380 4.885 375 H LEU 46 H LEU 46 8.999 3.838 2.004 376 HA LEU 46 HA LEU 46 8.937 1.293 0.470 377 HB2 LEU 46 2HB LEU 46 8.754 4.170 -0.508 378 HB3 LEU 46 3HB LEU 46 8.958 2.794 -1.578 379 HG LEU 46 HG LEU 46 6.738 1.893 -0.571 380 HD11 LEU 46 1HD1 LEU 46 6.547 3.328 1.367 381 HD12 LEU 46 2HD1 LEU 46 5.165 3.575 0.300 382 HD13 LEU 46 3HD1 LEU 46 6.474 4.763 0.342 383 HD21 LEU 46 3HD2 LEU 46 6.897 2.720 -2.855 384 HD22 LEU 46 1HD2 LEU 46 6.658 4.379 -2.299 385 HD23 LEU 46 2HD2 LEU 46 5.363 3.192 -2.131 386 H THR 47 H THR 47 10.705 0.619 -0.672 387 HA THR 47 HA THR 47 13.232 2.161 -0.531 388 HB THR 47 HB THR 47 12.969 -0.824 0.088 389 HG1 THR 47 HG1 THR 47 12.610 -0.177 2.046 390 HG21 THR 47 3HG2 THR 47 15.356 -0.678 0.742 391 HG22 THR 47 1HG2 THR 47 15.400 1.007 0.217 392 HG23 THR 47 2HG2 THR 47 15.134 -0.280 -0.962 393 H ARG 48 H ARG 48 14.182 2.239 -2.536 394 HA ARG 48 HA ARG 48 12.996 0.666 -4.712 395 HB2 ARG 48 2HB ARG 48 15.026 2.931 -4.884 396 HB3 ARG 48 3HB ARG 48 14.222 2.159 -6.240 397 HG2 ARG 48 2HG ARG 48 12.961 4.084 -6.048 398 HG3 ARG 48 3HG ARG 48 12.007 2.990 -5.048 399 HD2 ARG 48 2HD ARG 48 12.262 5.166 -3.953 400 HD3 ARG 48 3HD ARG 48 13.089 3.912 -3.026 401 HE ARG 48 HE ARG 48 15.176 4.755 -3.741 402 HH11 ARG 48 1HH1 ARG 48 12.507 6.820 -4.788 403 HH12 ARG 48 2HH1 ARG 48 13.540 8.174 -5.101 404 HH21 ARG 48 1HH2 ARG 48 16.494 6.534 -4.200 405 HH22 ARG 48 2HH2 ARG 48 15.787 8.013 -4.770 406 H ASP 49 H ASP 49 13.836 -1.311 -4.888 407 HA ASP 49 HA ASP 49 16.759 -1.790 -4.684 408 HB2 ASP 49 2HB ASP 49 14.420 -3.741 -4.422 409 HB3 ASP 49 3HB ASP 49 16.118 -4.209 -4.365 410 H ASP 50 H ASP 50 16.748 -0.787 -6.907 411 HA ASP 50 HA ASP 50 17.250 -0.955 -9.099 412 HB2 ASP 50 2HB ASP 50 17.659 -3.890 -8.366 413 HB3 ASP 50 3HB ASP 50 18.183 -3.182 -9.892 414 H GLY 51 H GLY 51 14.871 -0.438 -9.291 415 HA2 GLY 51 2HA GLY 51 13.212 -0.555 -10.944 416 HA3 GLY 51 3HA GLY 51 13.648 -2.222 -11.284 417 H THR 52 H THR 52 13.567 -2.876 -8.344 418 HA THR 52 HA THR 52 10.640 -3.267 -8.152 419 HB THR 52 HB THR 52 12.833 -4.927 -6.821 420 HG1 THR 52 HG1 THR 52 13.137 -5.743 -8.713 421 HG21 THR 52 3HG2 THR 52 9.895 -5.557 -7.346 422 HG22 THR 52 1HG2 THR 52 10.585 -5.133 -5.777 423 HG23 THR 52 2HG2 THR 52 11.066 -6.631 -6.574 424 H VAL 53 H VAL 53 9.754 -1.880 -6.713 425 HA VAL 53 HA VAL 53 11.170 -0.797 -4.438 426 HB VAL 53 HB VAL 53 8.242 -0.453 -5.261 427 HG11 VAL 53 1HG1 VAL 53 8.283 1.573 -3.810 428 HG12 VAL 53 2HG1 VAL 53 9.916 1.155 -3.285 429 HG13 VAL 53 3HG1 VAL 53 8.563 0.095 -2.884 430 HG21 VAL 53 3HG2 VAL 53 10.633 1.342 -5.830 431 HG22 VAL 53 1HG2 VAL 53 8.950 1.715 -6.221 432 HG23 VAL 53 2HG2 VAL 53 9.762 0.365 -7.014 433 H GLU 54 H GLU 54 11.249 -1.848 -2.509 434 HA GLU 54 HA GLU 54 9.274 -3.830 -1.747 435 HB2 GLU 54 2HB GLU 54 11.667 -4.212 -1.181 436 HB3 GLU 54 3HB GLU 54 11.664 -2.747 -0.198 437 HG2 GLU 54 2HG GLU 54 9.957 -3.759 1.296 438 HG3 GLU 54 3HG GLU 54 9.964 -5.215 0.301 439 H LEU 55 H LEU 55 7.408 -2.957 -1.209 440 HA LEU 55 HA LEU 55 7.104 -0.467 0.271 441 HB2 LEU 55 2HB LEU 55 5.613 -0.743 -1.589 442 HB3 LEU 55 3HB LEU 55 5.207 -2.383 -1.119 443 HG LEU 55 HG LEU 55 3.934 -1.496 0.845 444 HD11 LEU 55 1HD1 LEU 55 4.516 1.244 -0.310 445 HD12 LEU 55 2HD1 LEU 55 5.129 0.599 1.216 446 HD13 LEU 55 3HD1 LEU 55 3.403 0.886 1.016 447 HD21 LEU 55 3HD2 LEU 55 3.068 -0.402 -1.849 448 HD22 LEU 55 1HD2 LEU 55 2.025 -0.619 -0.438 449 HD23 LEU 55 2HD2 LEU 55 2.754 -2.021 -1.216 450 H ARG 56 H ARG 56 6.883 -0.479 2.417 451 HA ARG 56 HA ARG 56 6.266 -2.964 3.866 452 HB2 ARG 56 2HB ARG 56 7.312 -0.327 5.004 453 HB3 ARG 56 3HB ARG 56 7.182 -1.868 5.848 454 HG2 ARG 56 2HG ARG 56 9.124 -1.117 3.641 455 HG3 ARG 56 3HG ARG 56 9.498 -1.479 5.328 456 HD2 ARG 56 2HD ARG 56 8.515 -3.429 3.213 457 HD3 ARG 56 3HD ARG 56 10.131 -3.363 3.925 458 HE ARG 56 HE ARG 56 7.999 -3.782 5.835 459 HH11 ARG 56 1HH1 ARG 56 10.330 -5.380 3.737 460 HH12 ARG 56 2HH1 ARG 56 10.247 -6.879 4.602 461 HH21 ARG 56 1HH2 ARG 56 7.855 -5.754 6.908 462 HH22 ARG 56 2HH2 ARG 56 8.839 -7.091 6.407 463 H ILE 57 H ILE 57 4.085 -3.109 3.914 464 HA ILE 57 HA ILE 57 2.434 -0.790 4.698 465 HB ILE 57 HB ILE 57 1.718 -3.629 3.828 466 HG12 ILE 57 2HG1 ILE 57 2.414 -2.077 1.988 467 HG13 ILE 57 3HG1 ILE 57 0.749 -2.616 1.826 468 HG21 ILE 57 1HG2 ILE 57 -0.674 -2.922 3.909 469 HG22 ILE 57 2HG2 ILE 57 -0.179 -1.435 4.714 470 HG23 ILE 57 3HG2 ILE 57 0.085 -2.992 5.498 471 HD11 ILE 57 3HD1 ILE 57 0.970 -0.290 1.248 472 HD12 ILE 57 1HD1 ILE 57 1.665 0.079 2.826 473 HD13 ILE 57 2HD1 ILE 57 -0.017 -0.448 2.699 474 H LYS 58 H LYS 58 2.455 -0.439 6.820 475 HA LYS 58 HA LYS 58 2.355 -2.699 8.732 476 HB2 LYS 58 2HB LYS 58 4.595 -1.626 8.704 477 HB3 LYS 58 3HB LYS 58 3.859 -0.050 8.976 478 HG2 LYS 58 2HG LYS 58 3.148 -0.697 11.198 479 HG3 LYS 58 3HG LYS 58 3.672 -2.363 10.925 480 HD2 LYS 58 2HD LYS 58 6.040 -1.488 10.652 481 HD3 LYS 58 3HD LYS 58 5.452 0.104 11.154 482 HE2 LYS 58 2HE LYS 58 4.797 -0.793 13.325 483 HE3 LYS 58 3HE LYS 58 5.233 -2.428 12.823 484 HZ1 LYS 58 3HZ LYS 58 6.949 -1.487 14.176 485 HZ2 LYS 58 1HZ LYS 58 7.080 -0.139 13.166 486 HZ3 LYS 58 2HZ LYS 58 7.529 -1.667 12.600 487 H VAL 59 H VAL 59 0.260 -2.670 9.372 488 HA VAL 59 HA VAL 59 -1.005 -0.087 10.119 489 HB VAL 59 HB VAL 59 -2.437 -2.588 9.098 490 HG11 VAL 59 1HG1 VAL 59 -3.552 0.161 9.781 491 HG12 VAL 59 2HG1 VAL 59 -3.794 -1.313 10.720 492 HG13 VAL 59 3HG1 VAL 59 -4.476 -1.182 9.098 493 HG21 VAL 59 3HG2 VAL 59 -1.238 -1.476 7.252 494 HG22 VAL 59 1HG2 VAL 59 -1.995 0.064 7.669 495 HG23 VAL 59 2HG2 VAL 59 -2.982 -1.273 7.074 496 H LYS 60 H LYS 60 -0.813 -0.027 12.315 497 HA LYS 60 HA LYS 60 -1.538 -2.352 13.925 498 HB2 LYS 60 2HB LYS 60 0.295 -0.812 14.711 499 HB3 LYS 60 3HB LYS 60 -0.896 0.475 14.873 500 HG2 LYS 60 2HG LYS 60 -2.121 -0.907 16.556 501 HG3 LYS 60 3HG LYS 60 -0.893 -2.159 16.397 502 HD2 LYS 60 2HD LYS 60 -0.473 -0.865 18.406 503 HD3 LYS 60 3HD LYS 60 0.820 -0.574 17.244 504 HE2 LYS 60 2HE LYS 60 -0.177 1.597 16.657 505 HE3 LYS 60 3HE LYS 60 -1.538 1.282 17.734 506 HZ1 LYS 60 3HZ LYS 60 0.058 2.731 18.782 507 HZ2 LYS 60 1HZ LYS 60 1.298 1.601 18.562 508 HZ3 LYS 60 2HZ LYS 60 0.013 1.254 19.601 509 H ALA 61 H ALA 61 -3.651 -2.763 14.072 510 HA ALA 61 HA ALA 61 -5.600 -0.566 14.472 511 HB1 ALA 61 3HB ALA 61 -5.781 -1.300 12.109 512 HB2 ALA 61 1HB ALA 61 -7.235 -1.699 13.030 513 HB3 ALA 61 2HB ALA 61 -6.060 -2.958 12.648 514 H ASP 62 H ASP 62 -7.721 -1.507 15.321 515 HA ASP 62 HA ASP 62 -7.301 -2.627 17.830 516 HB2 ASP 62 2HB ASP 62 -9.287 -1.283 17.241 517 HB3 ASP 62 3HB ASP 62 -9.873 -2.567 16.188 518 H THR 63 H THR 63 -8.704 -4.182 14.974 519 HA THR 63 HA THR 63 -7.982 -6.869 16.000 520 HB THR 63 HB THR 63 -9.869 -7.763 14.664 521 HG1 THR 63 HG1 THR 63 -11.385 -5.920 13.947 522 HG21 THR 63 3HG2 THR 63 -11.770 -6.894 15.968 523 HG22 THR 63 1HG2 THR 63 -10.808 -5.501 16.473 524 HG23 THR 63 2HG2 THR 63 -10.365 -7.123 17.012 525 H GLU 64 H GLU 64 -7.412 -8.423 14.311 526 HA GLU 64 HA GLU 64 -5.741 -7.375 12.241 527 HB2 GLU 64 2HB GLU 64 -5.419 -9.745 11.575 528 HB3 GLU 64 3HB GLU 64 -5.124 -9.460 13.284 529 HG2 GLU 64 2HG GLU 64 -7.313 -10.439 13.846 530 HG3 GLU 64 3HG GLU 64 -7.655 -10.698 12.133 531 H GLU 65 H GLU 65 -9.083 -8.433 12.356 532 HA GLU 65 HA GLU 65 -9.617 -8.767 9.612 533 HB2 GLU 65 2HB GLU 65 -11.452 -7.776 11.840 534 HB3 GLU 65 3HB GLU 65 -12.002 -8.334 10.257 535 HG2 GLU 65 2HG GLU 65 -10.583 -10.008 12.363 536 HG3 GLU 65 3HG GLU 65 -12.300 -10.071 11.965 537 H LYS 66 H LYS 66 -9.841 -5.892 11.701 538 HA LYS 66 HA LYS 66 -10.688 -4.125 9.589 539 HB2 LYS 66 2HB LYS 66 -9.753 -3.546 12.427 540 HB3 LYS 66 3HB LYS 66 -10.427 -2.341 11.325 541 HG2 LYS 66 2HG LYS 66 -12.564 -3.506 11.267 542 HG3 LYS 66 3HG LYS 66 -11.912 -4.830 12.235 543 HD2 LYS 66 2HD LYS 66 -13.263 -3.395 13.652 544 HD3 LYS 66 3HD LYS 66 -11.569 -3.254 14.126 545 HE2 LYS 66 2HE LYS 66 -11.406 -1.115 12.884 546 HE3 LYS 66 3HE LYS 66 -13.100 -1.271 12.407 547 HZ1 LYS 66 3HZ LYS 66 -12.808 0.191 14.307 548 HZ2 LYS 66 1HZ LYS 66 -12.126 -1.068 15.198 549 HZ3 LYS 66 2HZ LYS 66 -13.740 -1.154 14.711 550 H ALA 67 H ALA 67 -7.619 -4.996 11.083 551 HA ALA 67 HA ALA 67 -5.951 -3.004 9.963 552 HB1 ALA 67 3HB ALA 67 -5.259 -4.512 11.807 553 HB2 ALA 67 1HB ALA 67 -4.109 -4.540 10.469 554 HB3 ALA 67 2HB ALA 67 -5.244 -5.874 10.685 555 H LYS 68 H LYS 68 -6.856 -6.245 8.828 556 HA LYS 68 HA LYS 68 -5.459 -6.206 6.354 557 HB2 LYS 68 2HB LYS 68 -7.742 -7.900 7.426 558 HB3 LYS 68 3HB LYS 68 -7.078 -8.158 5.818 559 HG2 LYS 68 2HG LYS 68 -5.434 -8.300 8.370 560 HG3 LYS 68 3HG LYS 68 -6.187 -9.701 7.599 561 HD2 LYS 68 2HD LYS 68 -4.140 -7.886 6.244 562 HD3 LYS 68 3HD LYS 68 -3.751 -9.416 7.037 563 HE2 LYS 68 2HE LYS 68 -5.106 -10.652 5.435 564 HE3 LYS 68 3HE LYS 68 -5.688 -9.154 4.705 565 HZ1 LYS 68 3HZ LYS 68 -3.456 -8.660 4.006 566 HZ2 LYS 68 1HZ LYS 68 -3.936 -10.160 3.408 567 HZ3 LYS 68 2HZ LYS 68 -2.879 -10.075 4.722 568 H SER 69 H SER 69 -8.682 -5.143 7.333 569 HA SER 69 HA SER 69 -9.869 -4.753 4.810 570 HB2 SER 69 2HB SER 69 -11.133 -4.631 6.953 571 HB3 SER 69 3HB SER 69 -10.291 -3.137 7.363 572 HG SER 69 HG SER 69 -11.788 -3.393 4.975 573 H ILE 70 H ILE 70 -7.942 -2.568 6.856 574 HA ILE 70 HA ILE 70 -7.972 -0.267 5.256 575 HB ILE 70 HB ILE 70 -5.912 -1.285 7.256 576 HG12 ILE 70 2HG1 ILE 70 -8.120 0.803 7.578 577 HG13 ILE 70 3HG1 ILE 70 -8.252 -0.869 8.098 578 HG21 ILE 70 1HG2 ILE 70 -6.111 1.485 6.027 579 HG22 ILE 70 2HG2 ILE 70 -4.792 0.334 5.811 580 HG23 ILE 70 3HG2 ILE 70 -5.073 1.059 7.393 581 HD11 ILE 70 3HD1 ILE 70 -6.307 1.162 9.182 582 HD12 ILE 70 1HD1 ILE 70 -6.461 -0.518 9.712 583 HD13 ILE 70 2HD1 ILE 70 -7.795 0.610 9.950 584 H ILE 71 H ILE 71 -5.636 -2.962 5.352 585 HA ILE 71 HA ILE 71 -3.801 -2.000 3.439 586 HB ILE 71 HB ILE 71 -4.437 -4.942 3.952 587 HG12 ILE 71 2HG1 ILE 71 -2.426 -3.175 5.431 588 HG13 ILE 71 3HG1 ILE 71 -3.931 -3.791 6.101 589 HG21 ILE 71 1HG2 ILE 71 -2.085 -5.314 3.223 590 HG22 ILE 71 2HG2 ILE 71 -1.920 -3.589 2.889 591 HG23 ILE 71 3HG2 ILE 71 -3.055 -4.568 1.956 592 HD11 ILE 71 3HD1 ILE 71 -1.991 -5.054 6.862 593 HD12 ILE 71 1HD1 ILE 71 -1.600 -5.492 5.203 594 HD13 ILE 71 2HD1 ILE 71 -3.096 -6.074 5.943 595 H LYS 72 H LYS 72 -6.728 -4.001 3.119 596 HA LYS 72 HA LYS 72 -6.475 -4.682 0.385 597 HB2 LYS 72 2HB LYS 72 -7.886 -5.928 1.977 598 HB3 LYS 72 3HB LYS 72 -8.969 -4.546 2.107 599 HG2 LYS 72 2HG LYS 72 -9.593 -4.776 -0.267 600 HG3 LYS 72 3HG LYS 72 -8.455 -6.113 -0.451 601 HD2 LYS 72 2HD LYS 72 -10.906 -6.103 1.349 602 HD3 LYS 72 3HD LYS 72 -10.789 -6.900 -0.220 603 HE2 LYS 72 2HE LYS 72 -8.998 -8.374 0.684 604 HE3 LYS 72 3HE LYS 72 -9.159 -7.585 2.256 605 HZ1 LYS 72 3HZ LYS 72 -11.229 -9.197 0.863 606 HZ2 LYS 72 1HZ LYS 72 -11.480 -8.343 2.303 607 HZ3 LYS 72 2HZ LYS 72 -10.371 -9.612 2.258 608 H LEU 73 H LEU 73 -8.302 -2.077 2.040 609 HA LEU 73 HA LEU 73 -9.597 -0.905 -0.160 610 HB2 LEU 73 2HB LEU 73 -8.824 0.030 2.595 611 HB3 LEU 73 3HB LEU 73 -9.284 1.269 1.444 612 HG LEU 73 HG LEU 73 -11.522 0.274 1.192 613 HD11 LEU 73 1HD1 LEU 73 -10.690 -1.790 3.238 614 HD12 LEU 73 2HD1 LEU 73 -10.989 -2.094 1.526 615 HD13 LEU 73 3HD1 LEU 73 -12.311 -1.574 2.567 616 HD21 LEU 73 3HD2 LEU 73 -12.405 0.778 3.417 617 HD22 LEU 73 1HD2 LEU 73 -11.167 1.943 2.951 618 HD23 LEU 73 2HD2 LEU 73 -10.782 0.665 4.107 619 H ILE 74 H ILE 74 -6.402 -0.353 1.235 620 HA ILE 74 HA ILE 74 -5.563 1.723 -0.541 621 HB ILE 74 HB ILE 74 -4.061 -0.145 1.336 622 HG12 ILE 74 2HG1 ILE 74 -4.772 2.825 1.491 623 HG13 ILE 74 3HG1 ILE 74 -5.495 1.526 2.429 624 HG21 ILE 74 1HG2 ILE 74 -2.843 2.132 -0.266 625 HG22 ILE 74 2HG2 ILE 74 -2.500 0.413 -0.467 626 HG23 ILE 74 3HG2 ILE 74 -2.032 1.231 1.021 627 HD11 ILE 74 3HD1 ILE 74 -2.676 2.569 2.658 628 HD12 ILE 74 1HD1 ILE 74 -3.312 1.178 3.545 629 HD13 ILE 74 2HD1 ILE 74 -4.003 2.778 3.800 630 H GLU 75 H GLU 75 -5.114 -1.851 -0.603 631 HA GLU 75 HA GLU 75 -3.213 -1.850 -2.714 632 HB2 GLU 75 2HB GLU 75 -4.815 -4.100 -1.480 633 HB3 GLU 75 3HB GLU 75 -3.719 -4.374 -2.834 634 HG2 GLU 75 2HG GLU 75 -1.875 -3.362 -1.409 635 HG3 GLU 75 3HG GLU 75 -3.000 -3.399 -0.052 636 H GLU 76 H GLU 76 -6.727 -2.127 -2.682 637 HA GLU 76 HA GLU 76 -7.227 -2.893 -5.326 638 HB2 GLU 76 2HB GLU 76 -8.800 -0.953 -3.568 639 HB3 GLU 76 3HB GLU 76 -9.402 -1.632 -5.078 640 HG2 GLU 76 2HG GLU 76 -8.721 -3.181 -2.565 641 HG3 GLU 76 3HG GLU 76 -10.339 -2.785 -3.129 642 H ARG 77 H ARG 77 -6.692 0.281 -3.904 643 HA ARG 77 HA ARG 77 -7.132 1.766 -6.302 644 HB2 ARG 77 2HB ARG 77 -6.082 2.542 -3.558 645 HB3 ARG 77 3HB ARG 77 -6.363 3.706 -4.850 646 HG2 ARG 77 2HG ARG 77 -8.499 1.930 -3.611 647 HG3 ARG 77 3HG ARG 77 -8.221 3.626 -3.199 648 HD2 ARG 77 2HD ARG 77 -8.698 4.235 -5.578 649 HD3 ARG 77 3HD ARG 77 -9.079 2.540 -5.907 650 HE ARG 77 HE ARG 77 -10.606 3.659 -3.738 651 HH11 ARG 77 1HH1 ARG 77 -10.505 3.322 -7.253 652 HH12 ARG 77 2HH1 ARG 77 -12.215 3.560 -7.435 653 HH21 ARG 77 1HH2 ARG 77 -12.837 4.012 -4.015 654 HH22 ARG 77 2HH2 ARG 77 -13.531 3.948 -5.603 655 H ILE 78 H ILE 78 -4.144 0.857 -4.461 656 HA ILE 78 HA ILE 78 -2.410 2.465 -6.038 657 HB ILE 78 HB ILE 78 -0.486 1.271 -5.078 658 HG12 ILE 78 2HG1 ILE 78 -2.498 -0.633 -3.797 659 HG13 ILE 78 3HG1 ILE 78 -1.371 -1.048 -5.081 660 HG21 ILE 78 1HG2 ILE 78 -0.830 1.790 -2.697 661 HG22 ILE 78 2HG2 ILE 78 -2.575 1.868 -2.954 662 HG23 ILE 78 3HG2 ILE 78 -1.513 3.043 -3.732 663 HD11 ILE 78 3HD1 ILE 78 0.511 -0.645 -3.546 664 HD12 ILE 78 1HD1 ILE 78 -0.591 -1.887 -2.955 665 HD13 ILE 78 2HD1 ILE 78 -0.633 -0.271 -2.253 666 H GLU 79 H GLU 79 -3.383 -0.961 -6.273 667 HA GLU 79 HA GLU 79 -1.723 -1.659 -8.473 668 HB2 GLU 79 2HB GLU 79 -2.856 -3.335 -6.979 669 HB3 GLU 79 3HB GLU 79 -4.404 -2.872 -7.684 670 HG2 GLU 79 2HG GLU 79 -3.558 -3.604 -9.928 671 HG3 GLU 79 3HG GLU 79 -2.074 -4.148 -9.151 672 H GLU 80 H GLU 80 -5.067 -0.445 -8.233 673 HA GLU 80 HA GLU 80 -5.880 -0.550 -10.902 674 HB2 GLU 80 2HB GLU 80 -7.385 -0.081 -9.034 675 HB3 GLU 80 3HB GLU 80 -6.563 1.435 -8.699 676 HG2 GLU 80 2HG GLU 80 -7.422 2.436 -10.724 677 HG3 GLU 80 3HG GLU 80 -8.090 0.893 -11.268 678 H GLU 81 H GLU 81 -4.377 2.182 -9.172 679 HA GLU 81 HA GLU 81 -4.259 3.945 -11.379 680 HB2 GLU 81 2HB GLU 81 -2.733 3.950 -8.751 681 HB3 GLU 81 3HB GLU 81 -2.722 5.283 -9.904 682 HG2 GLU 81 2HG GLU 81 -5.119 4.241 -8.354 683 HG3 GLU 81 3HG GLU 81 -4.276 5.768 -8.097 684 H LEU 82 H LEU 82 -1.823 1.816 -9.899 685 HA LEU 82 HA LEU 82 0.416 2.680 -11.387 686 HB2 LEU 82 2HB LEU 82 -0.089 0.857 -9.279 687 HB3 LEU 82 3HB LEU 82 0.619 -0.131 -10.527 688 HG LEU 82 HG LEU 82 1.924 2.375 -9.403 689 HD11 LEU 82 1HD1 LEU 82 3.411 0.864 -8.163 690 HD12 LEU 82 2HD1 LEU 82 2.452 -0.522 -8.690 691 HD13 LEU 82 3HD1 LEU 82 1.734 0.707 -7.645 692 HD21 LEU 82 3HD2 LEU 82 2.692 1.839 -11.660 693 HD22 LEU 82 1HD2 LEU 82 3.054 0.183 -11.166 694 HD23 LEU 82 2HD2 LEU 82 3.965 1.532 -10.481 695 H ARG 83 H ARG 83 -1.994 0.187 -12.026 696 HA ARG 83 HA ARG 83 -0.554 -1.155 -14.109 697 HB2 ARG 83 2HB ARG 83 -2.338 -2.180 -12.607 698 HB3 ARG 83 3HB ARG 83 -3.539 -1.313 -13.557 699 HG2 ARG 83 2HG ARG 83 -2.805 -2.548 -15.587 700 HG3 ARG 83 3HG ARG 83 -1.618 -3.419 -14.610 701 HD2 ARG 83 2HD ARG 83 -3.503 -4.310 -13.216 702 HD3 ARG 83 3HD ARG 83 -4.640 -3.542 -14.330 703 HE ARG 83 HE ARG 83 -3.124 -5.064 -15.976 704 HH11 ARG 83 1HH1 ARG 83 -4.884 -5.841 -13.028 705 HH12 ARG 83 2HH1 ARG 83 -5.178 -7.484 -13.495 706 HH21 ARG 83 1HH2 ARG 83 -3.485 -7.237 -16.553 707 HH22 ARG 83 2HH2 ARG 83 -4.388 -8.273 -15.490 708 H LYS 84 H LYS 84 -2.900 1.489 -14.042 709 HA LYS 84 HA LYS 84 -3.400 1.574 -16.873 710 HB2 LYS 84 2HB LYS 84 -3.723 3.728 -14.738 711 HB3 LYS 84 3HB LYS 84 -4.299 3.876 -16.398 712 HG2 LYS 84 2HG LYS 84 -5.858 2.018 -16.055 713 HG3 LYS 84 3HG LYS 84 -5.251 1.781 -14.411 714 HD2 LYS 84 2HD LYS 84 -6.672 4.273 -15.452 715 HD3 LYS 84 3HD LYS 84 -7.393 3.034 -14.423 716 HE2 LYS 84 2HE LYS 84 -5.831 3.608 -12.609 717 HE3 LYS 84 3HE LYS 84 -5.037 4.794 -13.643 718 HZ1 LYS 84 3HZ LYS 84 -6.598 5.802 -12.096 719 HZ2 LYS 84 1HZ LYS 84 -7.871 4.922 -12.784 720 HZ3 LYS 84 2HZ LYS 84 -7.052 6.076 -13.703 721 H ARG 85 H ARG 85 -1.090 3.057 -14.665 722 HA ARG 85 HA ARG 85 0.053 4.883 -16.596 723 HB2 ARG 85 2HB ARG 85 0.909 4.142 -13.763 724 HB3 ARG 85 3HB ARG 85 1.593 5.464 -14.714 725 HG2 ARG 85 2HG ARG 85 -0.589 6.591 -14.769 726 HG3 ARG 85 3HG ARG 85 -1.329 5.256 -13.886 727 HD2 ARG 85 2HD ARG 85 -0.967 7.040 -12.335 728 HD3 ARG 85 3HD ARG 85 0.217 5.783 -11.972 729 HE ARG 85 HE ARG 85 1.551 7.449 -13.657 730 HH11 ARG 85 1HH1 ARG 85 -0.168 7.997 -10.630 731 HH12 ARG 85 2HH1 ARG 85 0.840 9.327 -10.171 732 HH21 ARG 85 1HH2 ARG 85 2.877 9.175 -13.019 733 HH22 ARG 85 2HH2 ARG 85 2.570 10.000 -11.522 734 H ASP 86 H ASP 86 0.718 1.663 -15.439 735 HA ASP 86 HA ASP 86 2.539 1.188 -17.636 736 HB2 ASP 86 2HB ASP 86 4.130 1.964 -15.889 737 HB3 ASP 86 3HB ASP 86 3.487 0.775 -14.759 738 HA PRO 87 HA PRO 87 -0.349 -2.359 -17.034 739 HB2 PRO 87 2HB PRO 87 0.795 -3.199 -19.676 740 HB3 PRO 87 3HB PRO 87 -0.900 -2.928 -19.222 741 HG2 PRO 87 2HG PRO 87 0.359 -1.195 -20.813 742 HG3 PRO 87 3HG PRO 87 -0.781 -0.633 -19.569 743 HD2 PRO 87 2HD PRO 87 2.239 -0.647 -19.475 744 HD3 PRO 87 3HD PRO 87 1.102 0.637 -18.996 745 H ASN 88 H ASN 88 3.050 -2.356 -17.647 746 HA ASN 88 HA ASN 88 3.516 -5.198 -17.412 747 HB2 ASN 88 2HB ASN 88 5.581 -2.958 -17.292 748 HB3 ASN 88 3HB ASN 88 5.846 -4.646 -17.732 749 HD21 ASN 88 1HD2 ASN 88 4.629 -1.549 -18.800 750 HD22 ASN 88 2HD2 ASN 88 4.536 -1.935 -20.480 751 H ALA 89 H ALA 89 3.053 -2.628 -15.219 752 HA ALA 89 HA ALA 89 4.777 -3.204 -13.085 753 HB1 ALA 89 3HB ALA 89 3.540 -1.086 -13.280 754 HB2 ALA 89 1HB ALA 89 3.259 -1.834 -11.704 755 HB3 ALA 89 2HB ALA 89 2.023 -1.923 -12.965 756 H THR 90 H THR 90 4.860 -4.886 -11.780 757 HA THR 90 HA THR 90 2.505 -6.627 -11.327 758 HB THR 90 HB THR 90 5.414 -7.525 -11.606 759 HG1 THR 90 HG1 THR 90 4.430 -6.766 -13.586 760 HG21 THR 90 3HG2 THR 90 4.044 -9.027 -10.163 761 HG22 THR 90 1HG2 THR 90 4.492 -9.817 -11.678 762 HG23 THR 90 2HG2 THR 90 2.861 -9.184 -11.464 763 H ILE 91 H ILE 91 2.127 -7.056 -9.215 764 HA ILE 91 HA ILE 91 4.061 -6.135 -7.160 765 HB ILE 91 HB ILE 91 2.203 -5.614 -5.635 766 HG12 ILE 91 2HG1 ILE 91 0.500 -7.261 -6.590 767 HG13 ILE 91 3HG1 ILE 91 -0.142 -5.679 -6.186 768 HG21 ILE 91 1HG2 ILE 91 1.876 -4.196 -8.303 769 HG22 ILE 91 2HG2 ILE 91 3.057 -3.813 -7.050 770 HG23 ILE 91 3HG2 ILE 91 1.337 -3.581 -6.736 771 HD11 ILE 91 3HD1 ILE 91 0.483 -6.701 -8.948 772 HD12 ILE 91 1HD1 ILE 91 -0.122 -5.086 -8.573 773 HD13 ILE 91 2HD1 ILE 91 -1.103 -6.505 -8.217 774 H THR 92 H THR 92 4.529 -7.502 -5.511 775 HA THR 92 HA THR 92 3.306 -10.215 -5.475 776 HB THR 92 HB THR 92 6.156 -9.482 -4.625 777 HG1 THR 92 HG1 THR 92 6.010 -9.139 -6.843 778 HG21 THR 92 3HG2 THR 92 4.911 -12.186 -5.258 779 HG22 THR 92 1HG2 THR 92 5.258 -11.584 -3.633 780 HG23 THR 92 2HG2 THR 92 6.580 -11.905 -4.759 781 H ARG 93 H ARG 93 2.054 -10.359 -3.650 782 HA ARG 93 HA ARG 93 2.635 -8.694 -1.291 783 HB2 ARG 93 2HB ARG 93 0.359 -8.593 -2.148 784 HB3 ARG 93 3HB ARG 93 0.208 -10.348 -2.101 785 HG2 ARG 93 2HG ARG 93 0.232 -10.343 0.337 786 HG3 ARG 93 3HG ARG 93 0.593 -8.615 0.359 787 HD2 ARG 93 2HD ARG 93 -1.786 -9.128 0.863 788 HD3 ARG 93 3HD ARG 93 -1.574 -8.076 -0.538 789 HE ARG 93 HE ARG 93 -2.012 -10.978 -0.858 790 HH11 ARG 93 1HH1 ARG 93 -3.030 -7.675 -1.519 791 HH12 ARG 93 2HH1 ARG 93 -4.229 -8.149 -2.682 792 HH21 ARG 93 1HH2 ARG 93 -3.584 -11.591 -2.377 793 HH22 ARG 93 2HH2 ARG 93 -4.541 -10.380 -3.169 794 H THR 94 H THR 94 3.908 -9.576 0.215 795 HA THR 94 HA THR 94 3.697 -12.453 0.911 796 HB THR 94 HB THR 94 6.319 -10.875 0.855 797 HG1 THR 94 HG1 THR 94 5.714 -12.979 -0.928 798 HG21 THR 94 3HG2 THR 94 5.774 -13.849 1.215 799 HG22 THR 94 1HG2 THR 94 6.295 -12.741 2.490 800 HG23 THR 94 2HG2 THR 94 7.369 -13.100 1.136 801 H VAL 95 H VAL 95 2.737 -12.395 2.856 802 HA VAL 95 HA VAL 95 3.224 -10.258 4.795 803 HB VAL 95 HB VAL 95 0.916 -11.102 4.430 804 HG11 VAL 95 1HG1 VAL 95 1.856 -13.729 5.642 805 HG12 VAL 95 2HG1 VAL 95 1.375 -13.470 3.963 806 HG13 VAL 95 3HG1 VAL 95 0.185 -13.307 5.255 807 HG21 VAL 95 3HG2 VAL 95 1.926 -11.576 7.263 808 HG22 VAL 95 1HG2 VAL 95 0.239 -11.296 6.812 809 HG23 VAL 95 2HG2 VAL 95 1.441 -10.026 6.571 810 H ARG 96 H ARG 96 4.171 -10.573 6.854 811 HA ARG 96 HA ARG 96 5.601 -13.126 7.323 812 HB2 ARG 96 2HB ARG 96 7.143 -11.388 6.381 813 HB3 ARG 96 3HB ARG 96 6.768 -10.340 7.740 814 HG2 ARG 96 2HG ARG 96 8.960 -11.500 7.979 815 HG3 ARG 96 3HG ARG 96 7.842 -11.860 9.296 816 HD2 ARG 96 2HD ARG 96 7.248 -14.013 8.078 817 HD3 ARG 96 3HD ARG 96 8.561 -13.656 6.955 818 HE ARG 96 HE ARG 96 10.091 -14.253 8.565 819 HH11 ARG 96 1HH1 ARG 96 6.916 -14.074 10.102 820 HH12 ARG 96 2HH1 ARG 96 7.462 -14.825 11.564 821 HH21 ARG 96 1HH2 ARG 96 10.748 -15.274 10.475 822 HH22 ARG 96 2HH2 ARG 96 9.626 -15.503 11.772 823 H THR 97 H THR 97 3.538 -10.703 8.581 824 HA THR 97 HA THR 97 4.129 -10.996 11.367 825 HB THR 97 HB THR 97 1.583 -9.998 10.016 826 HG1 THR 97 HG1 THR 97 4.016 -8.974 10.178 827 HG21 THR 97 3HG2 THR 97 2.528 -9.633 12.895 828 HG22 THR 97 1HG2 THR 97 1.174 -10.651 12.390 829 HG23 THR 97 2HG2 THR 97 1.090 -8.903 12.180 830 H GLU 98 H GLU 98 3.724 -12.712 12.578 831 HA GLU 98 HA GLU 98 2.107 -14.944 11.638 832 HB2 GLU 98 2HB GLU 98 3.882 -14.592 14.097 833 HB3 GLU 98 3HB GLU 98 3.100 -16.104 13.639 834 HG2 GLU 98 2HG GLU 98 4.432 -16.229 11.600 835 HG3 GLU 98 3HG GLU 98 5.126 -14.637 11.913 836 H VAL 99 H VAL 99 0.142 -13.582 11.784 837 HA VAL 99 HA VAL 99 -0.998 -12.880 14.335 838 HB VAL 99 HB VAL 99 -3.140 -12.521 13.053 839 HG11 VAL 99 1HG1 VAL 99 -1.511 -10.674 13.206 840 HG12 VAL 99 2HG1 VAL 99 -2.368 -10.630 11.667 841 HG13 VAL 99 3HG1 VAL 99 -0.711 -11.237 11.735 842 HG21 VAL 99 3HG2 VAL 99 -1.553 -13.474 10.629 843 HG22 VAL 99 1HG2 VAL 99 -3.168 -12.758 10.583 844 HG23 VAL 99 2HG2 VAL 99 -2.916 -14.314 11.372 845 H GLY 100 H GLY 100 -2.404 -14.016 15.602 846 HA2 GLY 100 2HA GLY 100 -4.218 -15.790 15.562 847 HA3 GLY 100 3HA GLY 100 -2.983 -16.850 14.898 848 H SER 101 H SER 101 -3.057 -14.490 17.565 849 HA SER 101 HA SER 101 -1.509 -16.176 19.331 850 HB2 SER 101 2HB SER 101 -1.269 -13.692 19.275 851 HB3 SER 101 3HB SER 101 -2.922 -13.529 19.861 852 HG SER 101 HG SER 101 -0.663 -13.942 21.251 853 H SER 102 H SER 102 -2.380 -16.322 21.717 854 HA SER 102 HA SER 102 -5.168 -17.352 21.701 855 HB2 SER 102 2HB SER 102 -2.829 -18.269 23.427 856 HB3 SER 102 3HB SER 102 -4.464 -18.923 23.470 857 HG SER 102 HG SER 102 -3.331 -18.906 20.963 858 H TRP 103 H TRP 103 -5.997 -15.278 22.212 859 HA TRP 103 HA TRP 103 -5.279 -13.920 24.663 860 HB2 TRP 103 2HB TRP 103 -6.190 -12.780 22.543 861 HB3 TRP 103 3HB TRP 103 -7.767 -13.443 22.956 862 HD1 TRP 103 HD1 TRP 103 -5.252 -11.765 25.398 863 HE1 TRP 103 HE1 TRP 103 -6.389 -9.725 26.465 864 HE3 TRP 103 HE3 TRP 103 -9.667 -11.830 22.803 865 HZ2 TRP 103 HZ2 TRP 103 -8.809 -8.322 26.247 866 HZ3 TRP 103 HZ3 TRP 103 -11.342 -10.087 23.291 867 HH2 TRP 103 HH2 TRP 103 -10.920 -8.368 24.981 868 H SER 104 H SER 104 -5.609 -15.245 26.375 869 HA SER 104 HA SER 104 -8.124 -16.798 26.633 870 HB2 SER 104 2HB SER 104 -5.379 -17.388 27.835 871 HB3 SER 104 3HB SER 104 -6.797 -18.440 27.888 872 HG SER 104 HG SER 104 -5.347 -17.630 25.585 873 H LEU 105 H LEU 105 -9.452 -15.658 27.957 874 HA LEU 105 HA LEU 105 -8.367 -14.398 30.411 875 HB2 LEU 105 2HB LEU 105 -11.056 -13.756 29.130 876 HB3 LEU 105 3HB LEU 105 -10.256 -12.901 30.438 877 HG LEU 105 HG LEU 105 -8.390 -12.440 28.597 878 HD11 LEU 105 1HD1 LEU 105 -9.277 -12.187 26.332 879 HD12 LEU 105 2HD1 LEU 105 -10.799 -12.925 26.834 880 HD13 LEU 105 3HD1 LEU 105 -9.305 -13.866 26.860 881 HD21 LEU 105 3HD2 LEU 105 -9.663 -10.664 29.701 882 HD22 LEU 105 1HD2 LEU 105 -11.014 -10.912 28.589 883 HD23 LEU 105 2HD2 LEU 105 -9.463 -10.323 27.986 884 H GLU 106 H GLU 106 -8.713 -15.579 32.172 885 HA GLU 106 HA GLU 106 -11.307 -16.952 32.575 886 HB2 GLU 106 2HB GLU 106 -8.585 -17.520 33.841 887 HB3 GLU 106 3HB GLU 106 -10.090 -18.282 34.352 888 HG2 GLU 106 2HG GLU 106 -8.778 -18.560 31.622 889 HG3 GLU 106 3HG GLU 106 -8.800 -19.773 32.901 890 H HIS 107 H HIS 107 -12.514 -15.372 33.457 891 HA HIS 107 HA HIS 107 -11.561 -14.002 35.919 892 HB2 HIS 107 2HB HIS 107 -11.664 -12.491 33.863 893 HB3 HIS 107 3HB HIS 107 -13.399 -12.764 33.810 894 HD1 HIS 107 HD1 HIS 107 -10.754 -11.245 36.084 895 HD2 HIS 107 HD2 HIS 107 -14.838 -10.996 35.380 896 HE1 HIS 107 HE1 HIS 107 -11.563 -9.339 37.499 897 HE2 HIS 107 HE2 HIS 107 -14.048 -9.269 37.126 898 H HIS 108 H HIS 108 -12.510 -16.084 36.642 899 HA HIS 108 HA HIS 108 -15.350 -15.716 37.433 900 HB2 HIS 108 2HB HIS 108 -15.199 -17.536 35.712 901 HB3 HIS 108 3HB HIS 108 -14.010 -18.372 36.698 902 HD1 HIS 108 HD1 HIS 108 -14.960 -20.203 38.058 903 HD2 HIS 108 HD2 HIS 108 -17.811 -17.284 37.260 904 HE1 HIS 108 HE1 HIS 108 -17.098 -21.052 39.068 905 HE2 HIS 108 HE2 HIS 108 -18.794 -19.257 38.596 906 H HIS 109 H HIS 109 -13.013 -14.774 38.709 907 HA HIS 109 HA HIS 109 -12.315 -16.401 40.965 908 HB2 HIS 109 2HB HIS 109 -10.920 -14.462 40.107 909 HB3 HIS 109 3HB HIS 109 -12.142 -13.356 40.718 910 HD1 HIS 109 HD1 HIS 109 -9.420 -15.675 41.839 911 HD2 HIS 109 HD2 HIS 109 -12.029 -12.899 43.493 912 HE1 HIS 109 HE1 HIS 109 -8.614 -15.308 44.183 913 HE2 HIS 109 HE2 HIS 109 -10.314 -13.768 45.212 914 H HIS 110 H HIS 110 -14.279 -17.167 41.698 915 HA HIS 110 HA HIS 110 -15.868 -15.376 43.411 916 HB2 HIS 110 2HB HIS 110 -17.171 -15.577 41.318 917 HB3 HIS 110 3HB HIS 110 -17.029 -17.324 41.352 918 HD1 HIS 110 HD1 HIS 110 -19.239 -14.613 42.343 919 HD2 HIS 110 HD2 HIS 110 -18.562 -18.507 43.611 920 HE1 HIS 110 HE1 HIS 110 -21.301 -15.285 43.590 921 HE2 HIS 110 HE2 HIS 110 -20.780 -17.566 44.512 922 H HIS 111 H HIS 111 -14.900 -16.262 45.183 923 HA HIS 111 HA HIS 111 -14.760 -19.086 45.692 924 HB2 HIS 111 2HB HIS 111 -14.089 -18.420 47.992 925 HB3 HIS 111 3HB HIS 111 -13.164 -17.549 46.782 926 HD1 HIS 111 HD1 HIS 111 -15.270 -17.052 49.733 927 HD2 HIS 111 HD2 HIS 111 -13.974 -14.739 46.547 928 HE1 HIS 111 HE1 HIS 111 -15.707 -14.679 50.409 929 HE2 HIS 111 HE2 HIS 111 -15.097 -13.323 48.381 930 H HIS 112 H HIS 112 -16.790 -16.442 46.956 931 HA HIS 112 HA HIS 112 -19.246 -17.854 46.894 932 HB2 HIS 112 2HB HIS 112 -17.896 -17.542 49.613 933 HB3 HIS 112 3HB HIS 112 -19.647 -17.468 49.501 934 HD1 HIS 112 HD1 HIS 112 -17.097 -19.807 50.244 935 HD2 HIS 112 HD2 HIS 112 -20.606 -19.973 48.029 936 HE1 HIS 112 HE1 HIS 112 -17.662 -22.240 50.051 937 HE2 HIS 112 HE2 HIS 112 -19.853 -22.307 48.815 Start of MODEL 18 1 H1 MET 1 1H MET 1 -5.679 -4.603 21.370 2 H2 MET 1 2H MET 1 -4.013 -4.819 21.550 3 H3 MET 1 3H MET 1 -4.912 -5.915 20.631 4 HA MET 1 HA MET 1 -5.389 -4.278 18.999 5 HB2 MET 1 2HB MET 1 -5.428 -2.335 20.589 6 HB3 MET 1 3HB MET 1 -3.676 -2.405 20.697 7 HG2 MET 1 2HG MET 1 -3.477 -1.795 18.343 8 HG3 MET 1 3HG MET 1 -5.232 -1.841 18.160 9 HE1 MET 1 3HE MET 1 -4.824 1.984 17.887 10 HE2 MET 1 1HE MET 1 -5.620 0.543 17.255 11 HE3 MET 1 2HE MET 1 -3.869 0.722 17.111 12 H LEU 2 H LEU 2 -4.123 -4.720 17.222 13 HA LEU 2 HA LEU 2 -1.334 -5.614 17.696 14 HB2 LEU 2 2HB LEU 2 -1.774 -7.440 15.985 15 HB3 LEU 2 3HB LEU 2 -2.568 -7.620 17.537 16 HG LEU 2 HG LEU 2 -4.705 -6.709 16.422 17 HD11 LEU 2 1HD1 LEU 2 -3.196 -7.280 13.856 18 HD12 LEU 2 2HD1 LEU 2 -3.735 -5.699 14.424 19 HD13 LEU 2 3HD1 LEU 2 -4.920 -6.925 13.996 20 HD21 LEU 2 3HD2 LEU 2 -5.328 -8.887 15.486 21 HD22 LEU 2 1HD2 LEU 2 -4.422 -9.074 16.988 22 HD23 LEU 2 2HD2 LEU 2 -3.629 -9.372 15.438 23 H THR 3 H THR 3 0.049 -5.663 15.819 24 HA THR 3 HA THR 3 -0.676 -3.744 13.686 25 HB THR 3 HB THR 3 2.126 -4.090 14.853 26 HG1 THR 3 HG1 THR 3 0.178 -3.026 16.142 27 HG21 THR 3 3HG2 THR 3 2.568 -1.941 13.721 28 HG22 THR 3 1HG2 THR 3 0.917 -1.917 13.102 29 HG23 THR 3 2HG2 THR 3 2.045 -3.164 12.559 30 H VAL 4 H VAL 4 -0.670 -4.709 11.754 31 HA VAL 4 HA VAL 4 0.724 -7.282 11.344 32 HB VAL 4 HB VAL 4 -1.670 -7.378 10.925 33 HG11 VAL 4 1HG1 VAL 4 -2.134 -5.024 10.441 34 HG12 VAL 4 2HG1 VAL 4 -2.821 -6.069 9.193 35 HG13 VAL 4 3HG1 VAL 4 -1.335 -5.171 8.874 36 HG21 VAL 4 3HG2 VAL 4 -1.716 -8.263 8.605 37 HG22 VAL 4 1HG2 VAL 4 -0.277 -8.793 9.484 38 HG23 VAL 4 2HG2 VAL 4 -0.154 -7.501 8.289 39 H GLU 5 H GLU 5 2.545 -7.285 10.211 40 HA GLU 5 HA GLU 5 3.226 -5.141 8.325 41 HB2 GLU 5 2HB GLU 5 4.918 -7.444 9.420 42 HB3 GLU 5 3HB GLU 5 5.486 -6.253 8.255 43 HG2 GLU 5 2HG GLU 5 6.345 -5.618 10.392 44 HG3 GLU 5 3HG GLU 5 5.089 -4.460 9.965 45 H VAL 6 H VAL 6 2.485 -5.493 6.326 46 HA VAL 6 HA VAL 6 2.998 -8.115 5.049 47 HB VAL 6 HB VAL 6 0.589 -7.636 5.030 48 HG11 VAL 6 1HG1 VAL 6 1.213 -5.027 3.622 49 HG12 VAL 6 2HG1 VAL 6 0.627 -5.201 5.277 50 HG13 VAL 6 3HG1 VAL 6 -0.398 -5.684 3.924 51 HG21 VAL 6 3HG2 VAL 6 1.772 -7.233 2.258 52 HG22 VAL 6 1HG2 VAL 6 0.128 -7.781 2.604 53 HG23 VAL 6 2HG2 VAL 6 1.509 -8.782 3.059 54 H GLU 7 H GLU 7 4.676 -8.047 3.728 55 HA GLU 7 HA GLU 7 5.793 -5.517 2.759 56 HB2 GLU 7 2HB GLU 7 7.308 -7.069 3.919 57 HB3 GLU 7 3HB GLU 7 6.927 -8.349 2.769 58 HG2 GLU 7 2HG GLU 7 7.942 -7.036 0.946 59 HG3 GLU 7 3HG GLU 7 8.284 -5.719 2.070 60 H VAL 8 H VAL 8 5.057 -4.880 0.880 61 HA VAL 8 HA VAL 8 4.086 -6.742 -1.181 62 HB VAL 8 HB VAL 8 3.753 -3.707 -0.955 63 HG11 VAL 8 1HG1 VAL 8 1.908 -3.997 -2.573 64 HG12 VAL 8 2HG1 VAL 8 2.276 -5.720 -2.679 65 HG13 VAL 8 3HG1 VAL 8 3.453 -4.532 -3.243 66 HG21 VAL 8 3HG2 VAL 8 1.798 -5.870 -0.076 67 HG22 VAL 8 1HG2 VAL 8 1.477 -4.132 -0.080 68 HG23 VAL 8 2HG2 VAL 8 2.706 -4.801 0.996 69 H LYS 9 H LYS 9 5.763 -7.315 -2.498 70 HA LYS 9 HA LYS 9 7.962 -5.492 -3.122 71 HB2 LYS 9 2HB LYS 9 8.425 -7.832 -2.408 72 HB3 LYS 9 3HB LYS 9 7.507 -8.440 -3.778 73 HG2 LYS 9 2HG LYS 9 9.185 -7.382 -5.308 74 HG3 LYS 9 3HG LYS 9 10.123 -6.904 -3.890 75 HD2 LYS 9 2HD LYS 9 10.358 -9.303 -3.253 76 HD3 LYS 9 3HD LYS 9 9.448 -9.769 -4.691 77 HE2 LYS 9 2HE LYS 9 11.208 -8.856 -6.128 78 HE3 LYS 9 3HE LYS 9 12.102 -8.295 -4.712 79 HZ1 LYS 9 3HZ LYS 9 12.983 -10.379 -5.578 80 HZ2 LYS 9 1HZ LYS 9 11.492 -11.138 -5.342 81 HZ3 LYS 9 2HZ LYS 9 12.379 -10.585 -4.015 82 H ILE 10 H ILE 10 7.463 -4.109 -4.709 83 HA ILE 10 HA ILE 10 5.543 -4.755 -6.846 84 HB ILE 10 HB ILE 10 6.761 -2.048 -6.086 85 HG12 ILE 10 2HG1 ILE 10 4.089 -3.227 -5.197 86 HG13 ILE 10 3HG1 ILE 10 5.496 -2.999 -4.172 87 HG21 ILE 10 1HG2 ILE 10 4.311 -2.675 -7.776 88 HG22 ILE 10 2HG2 ILE 10 5.866 -2.108 -8.384 89 HG23 ILE 10 3HG2 ILE 10 4.888 -1.059 -7.357 90 HD11 ILE 10 3HD1 ILE 10 5.301 -0.573 -4.458 91 HD12 ILE 10 1HD1 ILE 10 3.859 -1.300 -3.754 92 HD13 ILE 10 2HD1 ILE 10 3.855 -0.811 -5.449 93 H THR 11 H THR 11 6.187 -4.781 -9.015 94 HA THR 11 HA THR 11 8.801 -3.647 -9.765 95 HB THR 11 HB THR 11 9.203 -6.058 -9.617 96 HG1 THR 11 HG1 THR 11 10.337 -5.121 -11.240 97 HG21 THR 11 3HG2 THR 11 8.069 -7.708 -11.062 98 HG22 THR 11 1HG2 THR 11 6.964 -6.458 -11.647 99 HG23 THR 11 2HG2 THR 11 6.925 -6.952 -9.953 100 H ALA 12 H ALA 12 8.541 -2.197 -11.334 101 HA ALA 12 HA ALA 12 6.136 -2.234 -13.076 102 HB1 ALA 12 3HB ALA 12 7.401 0.195 -11.745 103 HB2 ALA 12 1HB ALA 12 5.866 -0.552 -11.290 104 HB3 ALA 12 2HB ALA 12 6.035 0.225 -12.865 105 H ASP 13 H ASP 13 6.536 -0.420 -14.868 106 HA ASP 13 HA ASP 13 8.827 -1.181 -16.422 107 HB2 ASP 13 2HB ASP 13 6.624 -0.560 -17.427 108 HB3 ASP 13 3HB ASP 13 6.839 1.094 -16.865 109 H ASP 14 H ASP 14 7.868 1.655 -14.568 110 HA ASP 14 HA ASP 14 10.700 2.512 -14.342 111 HB2 ASP 14 2HB ASP 14 8.140 4.141 -14.056 112 HB3 ASP 14 3HB ASP 14 9.732 4.736 -13.595 113 H GLU 15 H GLU 15 11.441 1.605 -12.484 114 HA GLU 15 HA GLU 15 9.945 0.910 -10.220 115 HB2 GLU 15 2HB GLU 15 12.149 0.767 -9.034 116 HB3 GLU 15 3HB GLU 15 12.115 -0.098 -10.567 117 HG2 GLU 15 2HG GLU 15 13.382 1.650 -11.665 118 HG3 GLU 15 3HG GLU 15 13.286 2.685 -10.241 119 H ASN 16 H ASN 16 11.670 3.954 -10.986 120 HA ASN 16 HA ASN 16 11.456 5.118 -8.401 121 HB2 ASN 16 2HB ASN 16 13.075 6.030 -10.012 122 HB3 ASN 16 3HB ASN 16 11.768 6.502 -11.097 123 HD21 ASN 16 1HD2 ASN 16 13.151 7.117 -7.897 124 HD22 ASN 16 2HD2 ASN 16 12.563 8.733 -7.753 125 H LYS 17 H LYS 17 9.374 5.319 -11.320 126 HA LYS 17 HA LYS 17 7.449 7.068 -10.173 127 HB2 LYS 17 2HB LYS 17 7.014 5.072 -12.428 128 HB3 LYS 17 3HB LYS 17 5.879 6.326 -11.937 129 HG2 LYS 17 2HG LYS 17 8.074 7.861 -12.437 130 HG3 LYS 17 3HG LYS 17 8.371 6.539 -13.562 131 HD2 LYS 17 2HD LYS 17 6.098 8.523 -13.496 132 HD3 LYS 17 3HD LYS 17 7.151 8.091 -14.844 133 HE2 LYS 17 2HE LYS 17 4.872 6.426 -13.704 134 HE3 LYS 17 3HE LYS 17 4.910 7.251 -15.255 135 HZ1 LYS 17 3HZ LYS 17 5.276 4.943 -15.576 136 HZ2 LYS 17 1HZ LYS 17 6.542 4.904 -14.464 137 HZ3 LYS 17 2HZ LYS 17 6.722 5.743 -15.921 138 H ALA 18 H ALA 18 7.739 3.505 -10.254 139 HA ALA 18 HA ALA 18 5.255 2.739 -9.307 140 HB1 ALA 18 3HB ALA 18 6.309 0.699 -8.457 141 HB2 ALA 18 1HB ALA 18 7.903 1.462 -8.543 142 HB3 ALA 18 2HB ALA 18 7.002 1.135 -10.019 143 H GLU 19 H GLU 19 8.123 3.675 -7.436 144 HA GLU 19 HA GLU 19 7.009 3.596 -4.866 145 HB2 GLU 19 2HB GLU 19 9.420 3.713 -5.175 146 HB3 GLU 19 3HB GLU 19 9.292 5.280 -5.977 147 HG2 GLU 19 2HG GLU 19 8.477 6.300 -3.895 148 HG3 GLU 19 3HG GLU 19 8.534 4.738 -3.092 149 H GLU 20 H GLU 20 7.403 6.391 -7.092 150 HA GLU 20 HA GLU 20 6.436 8.396 -5.408 151 HB2 GLU 20 2HB GLU 20 6.474 8.228 -8.459 152 HB3 GLU 20 3HB GLU 20 6.101 9.704 -7.570 153 HG2 GLU 20 2HG GLU 20 8.715 8.177 -7.405 154 HG3 GLU 20 3HG GLU 20 8.442 9.633 -8.358 155 H ILE 21 H ILE 21 4.687 6.532 -7.839 156 HA ILE 21 HA ILE 21 2.152 7.702 -7.653 157 HB ILE 21 HB ILE 21 2.973 4.881 -8.469 158 HG12 ILE 21 2HG1 ILE 21 2.180 7.190 -10.298 159 HG13 ILE 21 3HG1 ILE 21 3.848 6.859 -9.846 160 HG21 ILE 21 1HG2 ILE 21 0.774 4.666 -9.590 161 HG22 ILE 21 2HG2 ILE 21 0.280 6.211 -8.895 162 HG23 ILE 21 3HG2 ILE 21 0.606 4.838 -7.839 163 HD11 ILE 21 3HD1 ILE 21 3.671 4.635 -10.866 164 HD12 ILE 21 1HD1 ILE 21 3.373 5.941 -12.011 165 HD13 ILE 21 2HD1 ILE 21 2.019 5.008 -11.371 166 H VAL 22 H VAL 22 3.542 4.793 -6.030 167 HA VAL 22 HA VAL 22 1.167 4.153 -4.579 168 HB VAL 22 HB VAL 22 4.053 3.250 -4.216 169 HG11 VAL 22 1HG1 VAL 22 3.207 1.448 -2.717 170 HG12 VAL 22 2HG1 VAL 22 1.620 2.217 -2.710 171 HG13 VAL 22 3HG1 VAL 22 3.004 3.052 -2.008 172 HG21 VAL 22 3HG2 VAL 22 3.214 1.130 -5.180 173 HG22 VAL 22 1HG2 VAL 22 2.926 2.485 -6.272 174 HG23 VAL 22 2HG2 VAL 22 1.599 1.826 -5.314 175 H LYS 23 H LYS 23 3.887 6.286 -3.821 176 HA LYS 23 HA LYS 23 3.347 6.764 -1.075 177 HB2 LYS 23 2HB LYS 23 4.661 8.481 -3.217 178 HB3 LYS 23 3HB LYS 23 4.566 8.980 -1.528 179 HG2 LYS 23 2HG LYS 23 5.980 7.190 -0.812 180 HG3 LYS 23 3HG LYS 23 5.864 6.375 -2.375 181 HD2 LYS 23 2HD LYS 23 8.050 7.501 -2.086 182 HD3 LYS 23 3HD LYS 23 7.142 8.156 -3.450 183 HE2 LYS 23 2HE LYS 23 6.457 10.080 -2.023 184 HE3 LYS 23 3HE LYS 23 7.434 9.423 -0.708 185 HZ1 LYS 23 3HZ LYS 23 8.570 11.158 -1.993 186 HZ2 LYS 23 1HZ LYS 23 8.496 10.182 -3.372 187 HZ3 LYS 23 2HZ LYS 23 9.394 9.685 -2.030 188 H ARG 24 H ARG 24 2.332 8.506 -4.040 189 HA ARG 24 HA ARG 24 0.540 10.343 -2.920 190 HB2 ARG 24 2HB ARG 24 1.108 10.661 -5.229 191 HB3 ARG 24 3HB ARG 24 0.630 9.022 -5.656 192 HG2 ARG 24 2HG ARG 24 -1.743 9.596 -5.313 193 HG3 ARG 24 3HG ARG 24 -1.295 11.221 -4.804 194 HD2 ARG 24 2HD ARG 24 -0.635 10.125 -7.542 195 HD3 ARG 24 3HD ARG 24 -2.151 10.949 -7.184 196 HE ARG 24 HE ARG 24 0.543 12.174 -7.110 197 HH11 ARG 24 1HH1 ARG 24 -2.964 12.566 -7.291 198 HH12 ARG 24 2HH1 ARG 24 -2.871 14.264 -7.636 199 HH21 ARG 24 1HH2 ARG 24 0.623 14.397 -7.604 200 HH22 ARG 24 2HH2 ARG 24 -0.845 15.298 -7.815 201 H VAL 25 H VAL 25 0.083 6.972 -3.934 202 HA VAL 25 HA VAL 25 -2.698 6.788 -3.697 203 HB VAL 25 HB VAL 25 -0.536 4.647 -3.473 204 HG11 VAL 25 1HG1 VAL 25 -3.546 4.246 -3.490 205 HG12 VAL 25 2HG1 VAL 25 -2.443 3.854 -2.170 206 HG13 VAL 25 3HG1 VAL 25 -2.356 2.961 -3.684 207 HG21 VAL 25 3HG2 VAL 25 -2.535 5.257 -5.683 208 HG22 VAL 25 1HG2 VAL 25 -1.333 3.964 -5.713 209 HG23 VAL 25 2HG2 VAL 25 -0.819 5.651 -5.713 210 H ILE 26 H ILE 26 -0.130 6.031 -1.300 211 HA ILE 26 HA ILE 26 -1.906 5.129 0.731 212 HB ILE 26 HB ILE 26 0.971 6.127 0.974 213 HG12 ILE 26 2HG1 ILE 26 -0.036 3.243 0.873 214 HG13 ILE 26 3HG1 ILE 26 0.550 4.108 -0.540 215 HG21 ILE 26 1HG2 ILE 26 1.059 4.895 3.128 216 HG22 ILE 26 2HG2 ILE 26 -0.661 4.532 2.986 217 HG23 ILE 26 3HG2 ILE 26 -0.127 6.202 3.176 218 HD11 ILE 26 3HD1 ILE 26 2.256 2.655 0.347 219 HD12 ILE 26 1HD1 ILE 26 2.166 3.450 1.920 220 HD13 ILE 26 2HD1 ILE 26 2.745 4.340 0.509 221 H ASP 27 H ASP 27 -0.648 8.312 -0.151 222 HA ASP 27 HA ASP 27 -1.709 9.804 2.028 223 HB2 ASP 27 2HB ASP 27 0.002 10.735 0.534 224 HB3 ASP 27 3HB ASP 27 -1.081 10.623 -0.843 225 H GLU 28 H GLU 28 -3.129 8.677 -1.038 226 HA GLU 28 HA GLU 28 -5.670 9.995 -0.781 227 HB2 GLU 28 2HB GLU 28 -4.995 7.482 -2.375 228 HB3 GLU 28 3HB GLU 28 -6.438 8.467 -2.571 229 HG2 GLU 28 2HG GLU 28 -3.592 9.239 -3.240 230 HG3 GLU 28 3HG GLU 28 -4.887 8.888 -4.378 231 H VAL 29 H VAL 29 -4.396 6.819 0.125 232 HA VAL 29 HA VAL 29 -6.882 5.649 0.913 233 HB VAL 29 HB VAL 29 -4.021 4.718 1.486 234 HG11 VAL 29 1HG1 VAL 29 -6.638 3.196 1.769 235 HG12 VAL 29 2HG1 VAL 29 -5.563 3.681 3.082 236 HG13 VAL 29 3HG1 VAL 29 -5.032 2.480 1.907 237 HG21 VAL 29 3HG2 VAL 29 -5.952 3.781 -0.660 238 HG22 VAL 29 1HG2 VAL 29 -4.332 3.139 -0.372 239 HG23 VAL 29 2HG2 VAL 29 -4.541 4.799 -0.932 240 H GLU 30 H GLU 30 -4.440 7.595 2.411 241 HA GLU 30 HA GLU 30 -4.752 7.043 5.124 242 HB2 GLU 30 2HB GLU 30 -2.988 8.526 4.049 243 HB3 GLU 30 3HB GLU 30 -4.204 9.788 3.910 244 HG2 GLU 30 2HG GLU 30 -2.803 10.221 5.843 245 HG3 GLU 30 3HG GLU 30 -4.430 9.819 6.388 246 H ARG 31 H ARG 31 -6.513 9.398 3.072 247 HA ARG 31 HA ARG 31 -8.042 10.499 5.204 248 HB2 ARG 31 2HB ARG 31 -9.241 11.771 3.518 249 HB3 ARG 31 3HB ARG 31 -7.524 11.781 3.153 250 HG2 ARG 31 2HG ARG 31 -7.947 10.025 1.412 251 HG3 ARG 31 3HG ARG 31 -9.675 10.183 1.731 252 HD2 ARG 31 2HD ARG 31 -7.799 12.290 0.597 253 HD3 ARG 31 3HD ARG 31 -9.159 11.510 -0.215 254 HE ARG 31 HE ARG 31 -10.207 12.788 2.012 255 HH11 ARG 31 1HH1 ARG 31 -8.581 13.826 -0.955 256 HH12 ARG 31 2HH1 ARG 31 -9.363 15.374 -0.962 257 HH21 ARG 31 1HH2 ARG 31 -11.158 14.816 1.999 258 HH22 ARG 31 2HH2 ARG 31 -10.828 15.939 0.717 259 H GLU 32 H GLU 32 -8.770 7.970 2.762 260 HA GLU 32 HA GLU 32 -11.564 7.825 3.441 261 HB2 GLU 32 2HB GLU 32 -11.574 5.864 1.868 262 HB3 GLU 32 3HB GLU 32 -10.924 7.340 1.166 263 HG2 GLU 32 2HG GLU 32 -8.615 6.463 1.600 264 HG3 GLU 32 3HG GLU 32 -9.332 4.951 2.142 265 H VAL 33 H VAL 33 -8.661 6.018 4.356 266 HA VAL 33 HA VAL 33 -9.982 3.938 5.788 267 HB VAL 33 HB VAL 33 -7.121 4.964 5.811 268 HG11 VAL 33 1HG1 VAL 33 -8.193 2.798 7.662 269 HG12 VAL 33 2HG1 VAL 33 -7.493 4.342 8.154 270 HG13 VAL 33 3HG1 VAL 33 -6.480 3.125 7.374 271 HG21 VAL 33 3HG2 VAL 33 -7.824 3.535 3.938 272 HG22 VAL 33 1HG2 VAL 33 -8.354 2.285 5.067 273 HG23 VAL 33 2HG2 VAL 33 -6.638 2.690 4.936 274 H GLN 34 H GLN 34 -8.567 7.079 6.855 275 HA GLN 34 HA GLN 34 -9.011 6.631 9.617 276 HB2 GLN 34 2HB GLN 34 -8.606 9.261 8.151 277 HB3 GLN 34 3HB GLN 34 -8.616 9.094 9.906 278 HG2 GLN 34 2HG GLN 34 -6.640 7.813 8.000 279 HG3 GLN 34 3HG GLN 34 -6.330 9.193 9.045 280 HE21 GLN 34 1HE2 GLN 34 -5.024 6.552 8.865 281 HE22 GLN 34 2HE2 GLN 34 -5.091 5.890 10.456 282 H LYS 35 H LYS 35 -11.221 7.625 7.150 283 HA LYS 35 HA LYS 35 -13.248 8.854 8.724 284 HB2 LYS 35 2HB LYS 35 -13.442 7.261 6.127 285 HB3 LYS 35 3HB LYS 35 -14.783 8.157 6.834 286 HG2 LYS 35 2HG LYS 35 -13.568 10.268 6.541 287 HG3 LYS 35 3HG LYS 35 -12.176 9.393 5.907 288 HD2 LYS 35 2HD LYS 35 -13.446 10.379 4.068 289 HD3 LYS 35 3HD LYS 35 -13.536 8.619 3.984 290 HE2 LYS 35 2HE LYS 35 -15.715 9.645 3.501 291 HE3 LYS 35 3HE LYS 35 -15.799 8.690 4.983 292 HZ1 LYS 35 3HZ LYS 35 -16.919 10.846 5.174 293 HZ2 LYS 35 1HZ LYS 35 -15.461 11.645 4.871 294 HZ3 LYS 35 2HZ LYS 35 -15.643 10.715 6.275 295 H GLN 36 H GLN 36 -12.572 5.522 7.772 296 HA GLN 36 HA GLN 36 -14.874 4.412 9.204 297 HB2 GLN 36 2HB GLN 36 -12.726 3.056 7.509 298 HB3 GLN 36 3HB GLN 36 -14.194 2.297 8.098 299 HG2 GLN 36 2HG GLN 36 -14.041 4.568 6.101 300 HG3 GLN 36 3HG GLN 36 -14.344 2.875 5.717 301 HE21 GLN 36 1HE2 GLN 36 -15.994 5.254 5.182 302 HE22 GLN 36 2HE2 GLN 36 -17.526 4.948 5.915 303 H TYR 37 H TYR 37 -11.479 4.930 9.676 304 HA TYR 37 HA TYR 37 -11.342 3.159 12.024 305 HB2 TYR 37 2HB TYR 37 -9.123 3.220 9.932 306 HB3 TYR 37 3HB TYR 37 -9.240 2.162 11.333 307 HD1 TYR 37 HD1 TYR 37 -11.081 0.347 11.340 308 HD2 TYR 37 HD2 TYR 37 -10.043 2.562 7.835 309 HE1 TYR 37 HE1 TYR 37 -12.197 -1.333 9.929 310 HE2 TYR 37 HE2 TYR 37 -11.155 0.889 6.435 311 HH TYR 37 HH TYR 37 -13.233 -1.464 7.723 312 HA PRO 38 HA PRO 38 -9.462 7.326 13.031 313 HB2 PRO 38 2HB PRO 38 -10.723 6.820 15.692 314 HB3 PRO 38 3HB PRO 38 -10.894 8.223 14.616 315 HG2 PRO 38 2HG PRO 38 -12.924 6.504 14.964 316 HG3 PRO 38 3HG PRO 38 -12.615 7.261 13.385 317 HD2 PRO 38 2HD PRO 38 -11.862 4.482 14.314 318 HD3 PRO 38 3HD PRO 38 -12.609 4.993 12.779 319 H ASN 39 H ASN 39 -9.421 4.180 14.512 320 HA ASN 39 HA ASN 39 -7.141 4.689 16.261 321 HB2 ASN 39 2HB ASN 39 -8.658 2.105 15.714 322 HB3 ASN 39 3HB ASN 39 -7.451 2.335 16.975 323 HD21 ASN 39 1HD2 ASN 39 -8.393 4.995 17.758 324 HD22 ASN 39 2HD2 ASN 39 -9.878 4.737 18.596 325 H ALA 40 H ALA 40 -7.444 4.095 13.020 326 HA ALA 40 HA ALA 40 -5.426 2.104 12.580 327 HB1 ALA 40 3HB ALA 40 -5.583 2.772 10.211 328 HB2 ALA 40 1HB ALA 40 -6.586 4.157 10.663 329 HB3 ALA 40 2HB ALA 40 -7.177 2.513 10.918 330 H THR 41 H THR 41 -3.270 2.396 12.662 331 HA THR 41 HA THR 41 -2.134 5.022 11.887 332 HB THR 41 HB THR 41 -0.801 2.858 13.581 333 HG1 THR 41 HG1 THR 41 -2.542 4.842 14.263 334 HG21 THR 41 3HG2 THR 41 0.071 5.715 12.983 335 HG22 THR 41 1HG2 THR 41 0.828 4.250 12.337 336 HG23 THR 41 2HG2 THR 41 0.894 4.592 14.066 337 H ILE 42 H ILE 42 -1.606 4.877 9.813 338 HA ILE 42 HA ILE 42 -0.753 2.358 8.570 339 HB ILE 42 HB ILE 42 -1.266 5.073 7.242 340 HG12 ILE 42 2HG1 ILE 42 -3.167 2.680 7.403 341 HG13 ILE 42 3HG1 ILE 42 -3.348 4.174 8.315 342 HG21 ILE 42 1HG2 ILE 42 0.207 3.590 5.921 343 HG22 ILE 42 2HG2 ILE 42 -1.352 3.798 5.124 344 HG23 ILE 42 3HG2 ILE 42 -1.005 2.306 5.998 345 HD11 ILE 42 3HD1 ILE 42 -4.847 4.127 6.425 346 HD12 ILE 42 1HD1 ILE 42 -3.501 3.910 5.308 347 HD13 ILE 42 2HD1 ILE 42 -3.660 5.413 6.223 348 H THR 43 H THR 43 1.357 2.049 9.141 349 HA THR 43 HA THR 43 3.365 4.158 8.693 350 HB THR 43 HB THR 43 3.725 1.330 9.811 351 HG1 THR 43 HG1 THR 43 2.963 3.749 10.963 352 HG21 THR 43 3HG2 THR 43 5.839 2.272 8.919 353 HG22 THR 43 1HG2 THR 43 5.882 2.182 10.683 354 HG23 THR 43 2HG2 THR 43 5.601 3.732 9.884 355 H ARG 44 H ARG 44 4.762 4.063 6.975 356 HA ARG 44 HA ARG 44 4.762 1.763 5.169 357 HB2 ARG 44 2HB ARG 44 4.227 3.129 3.176 358 HB3 ARG 44 3HB ARG 44 2.883 3.051 4.301 359 HG2 ARG 44 2HG ARG 44 4.763 5.428 4.168 360 HG3 ARG 44 3HG ARG 44 3.322 5.294 3.164 361 HD2 ARG 44 2HD ARG 44 1.912 5.202 5.207 362 HD3 ARG 44 3HD ARG 44 3.361 5.353 6.210 363 HE ARG 44 HE ARG 44 3.153 7.479 4.315 364 HH11 ARG 44 1HH1 ARG 44 1.869 6.451 7.428 365 HH12 ARG 44 2HH1 ARG 44 1.500 8.066 7.928 366 HH21 ARG 44 1HH2 ARG 44 2.673 9.579 5.018 367 HH22 ARG 44 2HH2 ARG 44 1.949 9.825 6.577 368 H THR 45 H THR 45 6.625 1.522 4.007 369 HA THR 45 HA THR 45 8.569 3.715 3.772 370 HB THR 45 HB THR 45 9.295 0.977 4.935 371 HG1 THR 45 HG1 THR 45 8.634 3.358 6.082 372 HG21 THR 45 3HG2 THR 45 11.093 1.806 3.450 373 HG22 THR 45 1HG2 THR 45 11.595 1.882 5.141 374 HG23 THR 45 2HG2 THR 45 11.095 3.351 4.303 375 H LEU 46 H LEU 46 8.843 3.816 1.608 376 HA LEU 46 HA LEU 46 8.886 1.346 -0.025 377 HB2 LEU 46 2HB LEU 46 8.567 4.244 -0.921 378 HB3 LEU 46 3HB LEU 46 8.556 2.835 -1.966 379 HG LEU 46 HG LEU 46 6.453 2.077 -0.654 380 HD11 LEU 46 1HD1 LEU 46 6.609 3.594 1.254 381 HD12 LEU 46 2HD1 LEU 46 5.091 3.814 0.389 382 HD13 LEU 46 3HD1 LEU 46 6.399 4.986 0.188 383 HD21 LEU 46 3HD2 LEU 46 6.340 4.505 -2.446 384 HD22 LEU 46 1HD2 LEU 46 4.968 3.468 -2.043 385 HD23 LEU 46 2HD2 LEU 46 6.333 2.809 -2.939 386 H THR 47 H THR 47 10.733 0.837 -1.171 387 HA THR 47 HA THR 47 13.035 2.719 -1.171 388 HB THR 47 HB THR 47 13.142 -0.158 -0.121 389 HG1 THR 47 HG1 THR 47 12.907 2.333 1.070 390 HG21 THR 47 3HG2 THR 47 15.506 0.316 0.437 391 HG22 THR 47 1HG2 THR 47 15.387 1.882 -0.360 392 HG23 THR 47 2HG2 THR 47 15.239 0.397 -1.307 393 H ARG 48 H ARG 48 14.311 2.548 -3.039 394 HA ARG 48 HA ARG 48 13.316 0.832 -5.181 395 HB2 ARG 48 2HB ARG 48 15.534 2.929 -5.189 396 HB3 ARG 48 3HB ARG 48 15.103 1.962 -6.589 397 HG2 ARG 48 2HG ARG 48 14.036 4.005 -6.974 398 HG3 ARG 48 3HG ARG 48 12.745 2.975 -6.354 399 HD2 ARG 48 2HD ARG 48 12.699 5.256 -5.388 400 HD3 ARG 48 3HD ARG 48 12.924 4.012 -4.153 401 HE ARG 48 HE ARG 48 15.407 5.109 -5.114 402 HH11 ARG 48 1HH1 ARG 48 12.778 5.770 -2.856 403 HH12 ARG 48 2HH1 ARG 48 13.766 6.762 -1.826 404 HH21 ARG 48 1HH2 ARG 48 16.694 6.343 -3.696 405 HH22 ARG 48 2HH2 ARG 48 15.977 7.083 -2.303 406 H ASP 49 H ASP 49 14.779 -0.449 -6.457 407 HA ASP 49 HA ASP 49 17.133 -1.669 -5.270 408 HB2 ASP 49 2HB ASP 49 15.144 -2.680 -4.019 409 HB3 ASP 49 3HB ASP 49 14.528 -3.268 -5.554 410 H ASP 50 H ASP 50 17.419 -3.878 -6.840 411 HA ASP 50 HA ASP 50 17.767 -3.137 -9.507 412 HB2 ASP 50 2HB ASP 50 18.956 -5.028 -8.478 413 HB3 ASP 50 3HB ASP 50 17.447 -5.902 -8.256 414 H GLY 51 H GLY 51 15.867 -2.099 -10.210 415 HA2 GLY 51 2HA GLY 51 13.932 -1.904 -11.414 416 HA3 GLY 51 3HA GLY 51 14.091 -3.613 -11.787 417 H THR 52 H THR 52 13.809 -2.497 -8.496 418 HA THR 52 HA THR 52 11.041 -3.501 -8.272 419 HB THR 52 HB THR 52 13.390 -4.553 -6.610 420 HG1 THR 52 HG1 THR 52 13.530 -5.832 -8.296 421 HG21 THR 52 3HG2 THR 52 10.463 -5.360 -6.498 422 HG22 THR 52 1HG2 THR 52 11.325 -4.453 -5.252 423 HG23 THR 52 2HG2 THR 52 11.777 -6.123 -5.602 424 H VAL 53 H VAL 53 9.862 -2.426 -6.730 425 HA VAL 53 HA VAL 53 11.239 -0.718 -4.736 426 HB VAL 53 HB VAL 53 8.331 -0.544 -5.679 427 HG11 VAL 53 1HG1 VAL 53 8.221 1.563 -4.381 428 HG12 VAL 53 2HG1 VAL 53 9.865 1.296 -3.796 429 HG13 VAL 53 3HG1 VAL 53 8.573 0.186 -3.330 430 HG21 VAL 53 3HG2 VAL 53 9.872 0.186 -7.432 431 HG22 VAL 53 1HG2 VAL 53 10.676 1.277 -6.300 432 HG23 VAL 53 2HG2 VAL 53 8.997 1.566 -6.765 433 H GLU 54 H GLU 54 11.173 -1.467 -2.695 434 HA GLU 54 HA GLU 54 9.332 -3.622 -1.944 435 HB2 GLU 54 2HB GLU 54 11.752 -3.844 -1.399 436 HB3 GLU 54 3HB GLU 54 11.661 -2.384 -0.417 437 HG2 GLU 54 2HG GLU 54 10.020 -3.527 1.081 438 HG3 GLU 54 3HG GLU 54 10.189 -4.994 0.117 439 H LEU 55 H LEU 55 7.410 -2.790 -1.449 440 HA LEU 55 HA LEU 55 7.078 -0.338 0.122 441 HB2 LEU 55 2HB LEU 55 5.542 -0.559 -1.731 442 HB3 LEU 55 3HB LEU 55 5.150 -2.217 -1.307 443 HG LEU 55 HG LEU 55 3.956 -1.385 0.739 444 HD11 LEU 55 1HD1 LEU 55 3.421 0.988 0.988 445 HD12 LEU 55 2HD1 LEU 55 4.485 1.378 -0.365 446 HD13 LEU 55 3HD1 LEU 55 5.154 0.691 1.117 447 HD21 LEU 55 3HD2 LEU 55 1.977 -0.492 -0.414 448 HD22 LEU 55 1HD2 LEU 55 2.678 -1.851 -1.291 449 HD23 LEU 55 2HD2 LEU 55 2.942 -0.204 -1.864 450 H ARG 56 H ARG 56 7.028 -0.501 2.267 451 HA ARG 56 HA ARG 56 6.411 -3.068 3.601 452 HB2 ARG 56 2HB ARG 56 7.935 -0.603 4.582 453 HB3 ARG 56 3HB ARG 56 7.581 -2.008 5.581 454 HG2 ARG 56 2HG ARG 56 9.278 -2.072 3.059 455 HG3 ARG 56 3HG ARG 56 9.917 -1.961 4.702 456 HD2 ARG 56 2HD ARG 56 8.282 -4.262 3.574 457 HD3 ARG 56 3HD ARG 56 10.020 -4.268 3.885 458 HE ARG 56 HE ARG 56 8.020 -3.913 6.039 459 HH11 ARG 56 1HH1 ARG 56 10.909 -5.555 4.847 460 HH12 ARG 56 2HH1 ARG 56 11.178 -6.400 6.340 461 HH21 ARG 56 1HH2 ARG 56 8.389 -5.000 7.965 462 HH22 ARG 56 2HH2 ARG 56 9.737 -6.082 8.113 463 H ILE 57 H ILE 57 4.199 -3.004 3.835 464 HA ILE 57 HA ILE 57 2.923 -0.613 4.990 465 HB ILE 57 HB ILE 57 1.747 -3.147 3.757 466 HG12 ILE 57 2HG1 ILE 57 2.566 -1.456 2.135 467 HG13 ILE 57 3HG1 ILE 57 0.815 -1.608 2.053 468 HG21 ILE 57 1HG2 ILE 57 -0.512 -2.176 4.116 469 HG22 ILE 57 2HG2 ILE 57 0.210 -0.879 5.072 470 HG23 ILE 57 3HG2 ILE 57 0.302 -2.547 5.640 471 HD11 ILE 57 3HD1 ILE 57 1.533 0.702 1.875 472 HD12 ILE 57 1HD1 ILE 57 2.333 0.605 3.442 473 HD13 ILE 57 2HD1 ILE 57 0.574 0.467 3.336 474 H LYS 58 H LYS 58 2.563 -0.514 7.058 475 HA LYS 58 HA LYS 58 2.445 -2.910 8.779 476 HB2 LYS 58 2HB LYS 58 4.722 -1.933 8.884 477 HB3 LYS 58 3HB LYS 58 4.049 -0.341 9.222 478 HG2 LYS 58 2HG LYS 58 3.156 -1.227 11.375 479 HG3 LYS 58 3HG LYS 58 3.942 -2.771 11.028 480 HD2 LYS 58 2HD LYS 58 6.151 -1.631 11.007 481 HD3 LYS 58 3HD LYS 58 5.355 -0.096 11.371 482 HE2 LYS 58 2HE LYS 58 6.320 -1.034 13.411 483 HE3 LYS 58 3HE LYS 58 4.560 -1.051 13.531 484 HZ1 LYS 58 3HZ LYS 58 5.585 -3.120 14.308 485 HZ2 LYS 58 1HZ LYS 58 6.229 -3.389 12.768 486 HZ3 LYS 58 2HZ LYS 58 4.554 -3.382 12.993 487 H VAL 59 H VAL 59 0.285 -2.810 9.283 488 HA VAL 59 HA VAL 59 -0.981 -0.182 9.825 489 HB VAL 59 HB VAL 59 -2.295 -2.822 8.993 490 HG11 VAL 59 1HG1 VAL 59 -4.402 -1.547 8.863 491 HG12 VAL 59 2HG1 VAL 59 -3.583 -0.113 9.484 492 HG13 VAL 59 3HG1 VAL 59 -3.757 -1.541 10.506 493 HG21 VAL 59 3HG2 VAL 59 -2.848 -1.653 6.881 494 HG22 VAL 59 1HG2 VAL 59 -1.099 -1.746 7.124 495 HG23 VAL 59 2HG2 VAL 59 -1.954 -0.232 7.428 496 H LYS 60 H LYS 60 -1.123 0.209 11.968 497 HA LYS 60 HA LYS 60 -1.647 -1.968 13.857 498 HB2 LYS 60 2HB LYS 60 0.001 -0.188 14.481 499 HB3 LYS 60 3HB LYS 60 -1.287 1.011 14.399 500 HG2 LYS 60 2HG LYS 60 -2.493 -0.157 16.230 501 HG3 LYS 60 3HG LYS 60 -1.202 -1.359 16.302 502 HD2 LYS 60 2HD LYS 60 -0.913 0.267 18.098 503 HD3 LYS 60 3HD LYS 60 0.407 0.428 16.937 504 HE2 LYS 60 2HE LYS 60 -0.755 2.382 15.920 505 HE3 LYS 60 3HE LYS 60 -2.043 2.218 17.115 506 HZ1 LYS 60 3HZ LYS 60 0.806 2.813 17.707 507 HZ2 LYS 60 1HZ LYS 60 -0.415 2.620 18.855 508 HZ3 LYS 60 2HZ LYS 60 -0.477 3.909 17.774 509 H ALA 61 H ALA 61 -3.656 -2.525 14.204 510 HA ALA 61 HA ALA 61 -5.829 -0.562 14.415 511 HB1 ALA 61 3HB ALA 61 -6.039 -3.110 12.761 512 HB2 ALA 61 1HB ALA 61 -6.018 -1.469 12.115 513 HB3 ALA 61 2HB ALA 61 -7.369 -2.006 13.117 514 H ASP 62 H ASP 62 -7.805 -1.750 15.388 515 HA ASP 62 HA ASP 62 -7.081 -2.786 17.908 516 HB2 ASP 62 2HB ASP 62 -9.171 -1.525 17.480 517 HB3 ASP 62 3HB ASP 62 -9.781 -2.844 16.486 518 H THR 63 H THR 63 -8.696 -4.390 15.161 519 HA THR 63 HA THR 63 -7.781 -7.049 16.116 520 HB THR 63 HB THR 63 -9.774 -7.952 14.843 521 HG1 THR 63 HG1 THR 63 -11.465 -6.290 14.488 522 HG21 THR 63 3HG2 THR 63 -9.917 -7.693 17.291 523 HG22 THR 63 1HG2 THR 63 -11.471 -7.376 16.521 524 HG23 THR 63 2HG2 THR 63 -10.478 -6.030 17.085 525 H GLU 64 H GLU 64 -7.356 -8.638 14.444 526 HA GLU 64 HA GLU 64 -5.693 -7.760 12.335 527 HB2 GLU 64 2HB GLU 64 -5.494 -10.139 11.735 528 HB3 GLU 64 3HB GLU 64 -5.389 -9.938 13.481 529 HG2 GLU 64 2HG GLU 64 -7.738 -10.641 13.714 530 HG3 GLU 64 3HG GLU 64 -7.857 -10.837 11.968 531 H GLU 65 H GLU 65 -9.091 -8.659 12.455 532 HA GLU 65 HA GLU 65 -9.717 -8.994 9.750 533 HB2 GLU 65 2HB GLU 65 -11.288 -9.563 11.525 534 HB3 GLU 65 3HB GLU 65 -11.362 -7.891 12.071 535 HG2 GLU 65 2HG GLU 65 -12.489 -7.250 9.967 536 HG3 GLU 65 3HG GLU 65 -12.392 -8.915 9.401 537 H LYS 66 H LYS 66 -9.888 -6.054 11.751 538 HA LYS 66 HA LYS 66 -10.729 -4.373 9.577 539 HB2 LYS 66 2HB LYS 66 -9.770 -3.576 12.356 540 HB3 LYS 66 3HB LYS 66 -10.684 -2.572 11.228 541 HG2 LYS 66 2HG LYS 66 -12.599 -4.158 11.379 542 HG3 LYS 66 3HG LYS 66 -11.684 -5.129 12.536 543 HD2 LYS 66 2HD LYS 66 -13.217 -3.768 13.796 544 HD3 LYS 66 3HD LYS 66 -11.601 -3.113 14.057 545 HE2 LYS 66 2HE LYS 66 -12.075 -1.350 12.367 546 HE3 LYS 66 3HE LYS 66 -13.699 -2.010 12.165 547 HZ1 LYS 66 3HZ LYS 66 -13.876 -0.204 13.634 548 HZ2 LYS 66 1HZ LYS 66 -12.568 -0.714 14.579 549 HZ3 LYS 66 2HZ LYS 66 -14.011 -1.586 14.595 550 H ALA 67 H ALA 67 -7.658 -5.160 11.110 551 HA ALA 67 HA ALA 67 -6.008 -3.197 9.947 552 HB1 ALA 67 3HB ALA 67 -4.168 -4.719 10.501 553 HB2 ALA 67 1HB ALA 67 -5.313 -6.045 10.746 554 HB3 ALA 67 2HB ALA 67 -5.327 -4.650 11.828 555 H LYS 68 H LYS 68 -6.933 -6.477 8.839 556 HA LYS 68 HA LYS 68 -5.512 -6.455 6.377 557 HB2 LYS 68 2HB LYS 68 -7.870 -8.098 7.369 558 HB3 LYS 68 3HB LYS 68 -7.221 -8.313 5.750 559 HG2 LYS 68 2HG LYS 68 -5.708 -8.747 8.340 560 HG3 LYS 68 3HG LYS 68 -6.367 -10.002 7.285 561 HD2 LYS 68 2HD LYS 68 -4.854 -9.105 5.440 562 HD3 LYS 68 3HD LYS 68 -4.093 -8.078 6.661 563 HE2 LYS 68 2HE LYS 68 -2.765 -10.101 6.323 564 HE3 LYS 68 3HE LYS 68 -3.466 -10.130 7.944 565 HZ1 LYS 68 3HZ LYS 68 -5.201 -11.607 7.115 566 HZ2 LYS 68 1HZ LYS 68 -3.670 -12.270 6.843 567 HZ3 LYS 68 2HZ LYS 68 -4.524 -11.572 5.567 568 H SER 69 H SER 69 -8.653 -5.207 7.324 569 HA SER 69 HA SER 69 -9.753 -4.821 4.729 570 HB2 SER 69 2HB SER 69 -11.085 -4.819 6.863 571 HB3 SER 69 3HB SER 69 -10.394 -3.245 7.264 572 HG SER 69 HG SER 69 -11.622 -2.322 5.790 573 H ILE 70 H ILE 70 -7.808 -2.784 6.901 574 HA ILE 70 HA ILE 70 -7.736 -0.431 5.314 575 HB ILE 70 HB ILE 70 -5.787 -1.477 7.415 576 HG12 ILE 70 2HG1 ILE 70 -7.934 0.673 7.716 577 HG13 ILE 70 3HG1 ILE 70 -8.229 -1.023 8.071 578 HG21 ILE 70 1HG2 ILE 70 -4.616 0.167 6.021 579 HG22 ILE 70 2HG2 ILE 70 -4.944 0.852 7.614 580 HG23 ILE 70 3HG2 ILE 70 -5.936 1.321 6.233 581 HD11 ILE 70 3HD1 ILE 70 -7.808 0.247 10.076 582 HD12 ILE 70 1HD1 ILE 70 -6.225 0.736 9.469 583 HD13 ILE 70 2HD1 ILE 70 -6.552 -0.963 9.823 584 H ILE 71 H ILE 71 -5.530 -3.240 5.565 585 HA ILE 71 HA ILE 71 -3.635 -2.551 3.613 586 HB ILE 71 HB ILE 71 -4.652 -5.344 4.331 587 HG12 ILE 71 2HG1 ILE 71 -2.187 -3.875 5.384 588 HG13 ILE 71 3HG1 ILE 71 -3.700 -4.056 6.266 589 HG21 ILE 71 1HG2 ILE 71 -2.089 -4.577 2.877 590 HG22 ILE 71 2HG2 ILE 71 -3.479 -5.401 2.168 591 HG23 ILE 71 3HG2 ILE 71 -2.516 -6.206 3.408 592 HD11 ILE 71 3HD1 ILE 71 -1.999 -5.634 7.004 593 HD12 ILE 71 1HD1 ILE 71 -1.924 -6.330 5.389 594 HD13 ILE 71 2HD1 ILE 71 -3.406 -6.456 6.339 595 H LYS 72 H LYS 72 -6.789 -4.193 3.323 596 HA LYS 72 HA LYS 72 -6.757 -4.917 0.620 597 HB2 LYS 72 2HB LYS 72 -8.441 -5.773 2.198 598 HB3 LYS 72 3HB LYS 72 -9.086 -4.157 2.440 599 HG2 LYS 72 2HG LYS 72 -10.608 -5.373 1.029 600 HG3 LYS 72 3HG LYS 72 -9.824 -4.133 0.045 601 HD2 LYS 72 2HD LYS 72 -8.210 -5.940 -0.748 602 HD3 LYS 72 3HD LYS 72 -9.238 -7.123 0.070 603 HE2 LYS 72 2HE LYS 72 -9.795 -7.011 -2.313 604 HE3 LYS 72 3HE LYS 72 -11.151 -6.405 -1.358 605 HZ1 LYS 72 3HZ LYS 72 -9.128 -4.741 -2.770 606 HZ2 LYS 72 1HZ LYS 72 -10.397 -4.137 -1.828 607 HZ3 LYS 72 2HZ LYS 72 -10.729 -4.984 -3.252 608 H LEU 73 H LEU 73 -7.842 -1.905 2.208 609 HA LEU 73 HA LEU 73 -8.703 -0.541 -0.119 610 HB2 LEU 73 2HB LEU 73 -8.080 0.295 2.705 611 HB3 LEU 73 3HB LEU 73 -8.102 1.561 1.493 612 HG LEU 73 HG LEU 73 -10.462 0.875 0.890 613 HD11 LEU 73 1HD1 LEU 73 -10.317 -0.839 3.370 614 HD12 LEU 73 2HD1 LEU 73 -10.460 -1.412 1.708 615 HD13 LEU 73 3HD1 LEU 73 -11.770 -0.482 2.430 616 HD21 LEU 73 3HD2 LEU 73 -10.047 2.810 2.315 617 HD22 LEU 73 1HD2 LEU 73 -10.031 1.780 3.750 618 HD23 LEU 73 2HD2 LEU 73 -11.518 1.978 2.817 619 H ILE 74 H ILE 74 -5.530 -0.712 1.501 620 HA ILE 74 HA ILE 74 -4.199 1.270 -0.033 621 HB ILE 74 HB ILE 74 -3.034 -1.175 1.396 622 HG12 ILE 74 2HG1 ILE 74 -3.219 1.730 2.327 623 HG13 ILE 74 3HG1 ILE 74 -4.251 0.424 2.882 624 HG21 ILE 74 1HG2 ILE 74 -1.563 1.270 0.336 625 HG22 ILE 74 2HG2 ILE 74 -1.432 -0.378 -0.285 626 HG23 ILE 74 3HG2 ILE 74 -0.848 0.002 1.335 627 HD11 ILE 74 3HD1 ILE 74 -2.309 -0.676 3.886 628 HD12 ILE 74 1HD1 ILE 74 -2.571 0.948 4.519 629 HD13 ILE 74 2HD1 ILE 74 -1.284 0.657 3.349 630 H GLU 75 H GLU 75 -4.513 -2.246 -0.401 631 HA GLU 75 HA GLU 75 -2.613 -2.515 -2.490 632 HB2 GLU 75 2HB GLU 75 -4.706 -4.447 -1.434 633 HB3 GLU 75 3HB GLU 75 -3.452 -4.882 -2.595 634 HG2 GLU 75 2HG GLU 75 -3.038 -3.954 0.262 635 HG3 GLU 75 3HG GLU 75 -2.780 -5.578 -0.372 636 H GLU 76 H GLU 76 -6.176 -2.330 -2.508 637 HA GLU 76 HA GLU 76 -6.457 -2.903 -5.297 638 HB2 GLU 76 2HB GLU 76 -8.774 -2.117 -5.063 639 HB3 GLU 76 3HB GLU 76 -8.341 -3.205 -3.752 640 HG2 GLU 76 2HG GLU 76 -7.985 -1.191 -2.287 641 HG3 GLU 76 3HG GLU 76 -8.600 -0.191 -3.598 642 H ARG 77 H ARG 77 -5.879 0.004 -3.427 643 HA ARG 77 HA ARG 77 -6.387 1.895 -5.540 644 HB2 ARG 77 2HB ARG 77 -5.172 2.111 -2.773 645 HB3 ARG 77 3HB ARG 77 -5.213 3.488 -3.862 646 HG2 ARG 77 2HG ARG 77 -7.683 1.992 -2.961 647 HG3 ARG 77 3HG ARG 77 -7.038 3.418 -2.144 648 HD2 ARG 77 2HD ARG 77 -7.276 4.656 -4.349 649 HD3 ARG 77 3HD ARG 77 -8.152 3.242 -4.962 650 HE ARG 77 HE ARG 77 -9.090 4.458 -2.468 651 HH11 ARG 77 1HH1 ARG 77 -9.605 4.120 -5.947 652 HH12 ARG 77 2HH1 ARG 77 -11.248 4.687 -5.863 653 HH21 ARG 77 1HH2 ARG 77 -11.200 5.162 -2.379 654 HH22 ARG 77 2HH2 ARG 77 -12.149 5.277 -3.829 655 H ILE 78 H ILE 78 -3.426 0.365 -4.140 656 HA ILE 78 HA ILE 78 -1.596 2.061 -5.508 657 HB ILE 78 HB ILE 78 0.213 0.460 -5.041 658 HG12 ILE 78 2HG1 ILE 78 -1.872 -1.435 -3.871 659 HG13 ILE 78 3HG1 ILE 78 -1.018 -1.688 -5.387 660 HG21 ILE 78 1HG2 ILE 78 0.160 0.485 -2.577 661 HG22 ILE 78 2HG2 ILE 78 -1.570 0.833 -2.618 662 HG23 ILE 78 3HG2 ILE 78 -0.420 2.006 -3.261 663 HD11 ILE 78 3HD1 ILE 78 1.106 -1.824 -4.162 664 HD12 ILE 78 1HD1 ILE 78 -0.058 -3.033 -3.623 665 HD13 ILE 78 2HD1 ILE 78 0.239 -1.599 -2.639 666 H GLU 79 H GLU 79 -2.953 -1.148 -6.219 667 HA GLU 79 HA GLU 79 -1.656 -1.539 -8.700 668 HB2 GLU 79 2HB GLU 79 -2.646 -3.373 -7.359 669 HB3 GLU 79 3HB GLU 79 -4.261 -2.735 -7.650 670 HG2 GLU 79 2HG GLU 79 -4.052 -3.194 -10.041 671 HG3 GLU 79 3HG GLU 79 -2.386 -3.723 -9.823 672 H GLU 80 H GLU 80 -4.751 -0.012 -7.822 673 HA GLU 80 HA GLU 80 -5.916 0.402 -10.324 674 HB2 GLU 80 2HB GLU 80 -7.049 0.836 -8.180 675 HB3 GLU 80 3HB GLU 80 -5.955 2.167 -7.840 676 HG2 GLU 80 2HG GLU 80 -6.923 3.454 -9.702 677 HG3 GLU 80 3HG GLU 80 -7.991 2.106 -10.094 678 H GLU 81 H GLU 81 -3.764 2.629 -8.529 679 HA GLU 81 HA GLU 81 -3.670 4.554 -10.676 680 HB2 GLU 81 2HB GLU 81 -2.166 4.398 -8.038 681 HB3 GLU 81 3HB GLU 81 -2.045 5.746 -9.163 682 HG2 GLU 81 2HG GLU 81 -4.556 4.845 -7.727 683 HG3 GLU 81 3HG GLU 81 -3.579 6.259 -7.330 684 H LEU 82 H LEU 82 -1.589 1.955 -9.540 685 HA LEU 82 HA LEU 82 0.783 2.662 -10.917 686 HB2 LEU 82 2HB LEU 82 -0.262 0.060 -9.787 687 HB3 LEU 82 3HB LEU 82 1.181 0.043 -10.781 688 HG LEU 82 HG LEU 82 0.864 1.565 -8.164 689 HD11 LEU 82 1HD1 LEU 82 2.477 -0.933 -8.783 690 HD12 LEU 82 2HD1 LEU 82 1.002 -0.854 -7.814 691 HD13 LEU 82 3HD1 LEU 82 2.467 -0.054 -7.249 692 HD21 LEU 82 3HD2 LEU 82 3.303 1.297 -9.954 693 HD22 LEU 82 1HD2 LEU 82 3.262 2.062 -8.363 694 HD23 LEU 82 2HD2 LEU 82 2.351 2.763 -9.697 695 H ARG 83 H ARG 83 -1.927 0.514 -11.822 696 HA ARG 83 HA ARG 83 -0.888 -0.372 -14.291 697 HB2 ARG 83 2HB ARG 83 -3.724 -0.264 -13.222 698 HB3 ARG 83 3HB ARG 83 -3.364 -0.922 -14.813 699 HG2 ARG 83 2HG ARG 83 -1.841 -2.583 -13.742 700 HG3 ARG 83 3HG ARG 83 -2.325 -1.965 -12.161 701 HD2 ARG 83 2HD ARG 83 -4.678 -2.615 -12.653 702 HD3 ARG 83 3HD ARG 83 -4.159 -3.258 -14.216 703 HE ARG 83 HE ARG 83 -2.786 -4.348 -11.915 704 HH11 ARG 83 1HH1 ARG 83 -5.509 -4.813 -14.109 705 HH12 ARG 83 2HH1 ARG 83 -5.656 -6.502 -13.744 706 HH21 ARG 83 1HH2 ARG 83 -3.001 -6.526 -11.434 707 HH22 ARG 83 2HH2 ARG 83 -4.221 -7.480 -12.214 708 H LYS 84 H LYS 84 -2.325 2.647 -13.476 709 HA LYS 84 HA LYS 84 -3.255 3.410 -16.085 710 HB2 LYS 84 2HB LYS 84 -2.708 4.980 -13.534 711 HB3 LYS 84 3HB LYS 84 -3.352 5.728 -14.994 712 HG2 LYS 84 2HG LYS 84 -5.385 4.478 -14.871 713 HG3 LYS 84 3HG LYS 84 -4.722 3.375 -13.664 714 HD2 LYS 84 2HD LYS 84 -6.324 4.937 -12.641 715 HD3 LYS 84 3HD LYS 84 -4.705 5.179 -11.992 716 HE2 LYS 84 2HE LYS 84 -4.420 7.174 -13.398 717 HE3 LYS 84 3HE LYS 84 -6.010 6.903 -14.122 718 HZ1 LYS 84 3HZ LYS 84 -5.553 7.394 -11.224 719 HZ2 LYS 84 1HZ LYS 84 -7.047 7.268 -12.005 720 HZ3 LYS 84 2HZ LYS 84 -6.031 8.576 -12.332 721 H ARG 85 H ARG 85 -0.219 3.814 -14.294 722 HA ARG 85 HA ARG 85 0.895 5.595 -16.407 723 HB2 ARG 85 2HB ARG 85 1.933 5.154 -13.577 724 HB3 ARG 85 3HB ARG 85 2.438 6.407 -14.706 725 HG2 ARG 85 2HG ARG 85 -0.265 6.182 -13.341 726 HG3 ARG 85 3HG ARG 85 1.012 7.340 -12.962 727 HD2 ARG 85 2HD ARG 85 -0.568 7.200 -15.555 728 HD3 ARG 85 3HD ARG 85 -0.773 8.389 -14.267 729 HE ARG 85 HE ARG 85 1.892 8.490 -15.070 730 HH11 ARG 85 1HH1 ARG 85 -1.252 9.229 -16.493 731 HH12 ARG 85 2HH1 ARG 85 -0.609 10.445 -17.554 732 HH21 ARG 85 1HH2 ARG 85 2.707 10.067 -16.476 733 HH22 ARG 85 2HH2 ARG 85 1.633 10.917 -17.541 734 H ASP 86 H ASP 86 1.361 2.633 -14.700 735 HA ASP 86 HA ASP 86 3.357 1.628 -16.594 736 HB2 ASP 86 2HB ASP 86 3.529 1.162 -13.562 737 HB3 ASP 86 3HB ASP 86 4.610 0.490 -14.773 738 HA PRO 87 HA PRO 87 -0.495 -0.976 -16.256 739 HB2 PRO 87 2HB PRO 87 -0.095 -2.400 -18.626 740 HB3 PRO 87 3HB PRO 87 -0.868 -0.805 -18.534 741 HG2 PRO 87 2HG PRO 87 1.987 -1.468 -19.192 742 HG3 PRO 87 3HG PRO 87 0.883 -0.326 -19.996 743 HD2 PRO 87 2HD PRO 87 2.738 0.564 -18.273 744 HD3 PRO 87 3HD PRO 87 1.118 1.302 -18.310 745 H ASN 88 H ASN 88 2.797 -2.119 -16.795 746 HA ASN 88 HA ASN 88 2.180 -4.869 -15.958 747 HB2 ASN 88 2HB ASN 88 4.738 -3.580 -17.012 748 HB3 ASN 88 3HB ASN 88 4.595 -5.280 -16.580 749 HD21 ASN 88 1HD2 ASN 88 3.479 -6.684 -17.969 750 HD22 ASN 88 2HD2 ASN 88 2.959 -6.217 -19.550 751 H ALA 89 H ALA 89 2.261 -2.382 -14.105 752 HA ALA 89 HA ALA 89 4.464 -2.848 -12.299 753 HB1 ALA 89 3HB ALA 89 3.515 -0.591 -12.568 754 HB2 ALA 89 1HB ALA 89 3.427 -1.120 -10.889 755 HB3 ALA 89 2HB ALA 89 1.980 -1.143 -11.900 756 H THR 90 H THR 90 4.103 -5.134 -12.012 757 HA THR 90 HA THR 90 1.717 -6.086 -10.647 758 HB THR 90 HB THR 90 4.242 -7.559 -11.521 759 HG1 THR 90 HG1 THR 90 2.913 -6.564 -13.214 760 HG21 THR 90 3HG2 THR 90 3.026 -8.829 -9.779 761 HG22 THR 90 1HG2 THR 90 2.868 -9.621 -11.350 762 HG23 THR 90 2HG2 THR 90 1.528 -8.678 -10.698 763 H ILE 91 H ILE 91 1.560 -6.310 -8.509 764 HA ILE 91 HA ILE 91 3.903 -5.886 -6.766 765 HB ILE 91 HB ILE 91 2.422 -5.315 -4.987 766 HG12 ILE 91 2HG1 ILE 91 0.647 -7.095 -5.366 767 HG13 ILE 91 3HG1 ILE 91 0.013 -5.526 -4.908 768 HG21 ILE 91 1HG2 ILE 91 1.349 -4.054 -7.536 769 HG22 ILE 91 2HG2 ILE 91 2.745 -3.523 -6.599 770 HG23 ILE 91 3HG2 ILE 91 1.128 -3.405 -5.907 771 HD11 ILE 91 3HD1 ILE 91 -1.366 -6.563 -6.582 772 HD12 ILE 91 1HD1 ILE 91 0.004 -6.713 -7.679 773 HD13 ILE 91 2HD1 ILE 91 -0.616 -5.115 -7.250 774 H THR 92 H THR 92 4.434 -7.344 -5.083 775 HA THR 92 HA THR 92 3.229 -10.055 -5.203 776 HB THR 92 HB THR 92 6.064 -9.326 -4.327 777 HG1 THR 92 HG1 THR 92 5.924 -8.949 -6.522 778 HG21 THR 92 3HG2 THR 92 5.219 -11.450 -3.350 779 HG22 THR 92 1HG2 THR 92 6.523 -11.738 -4.508 780 HG23 THR 92 2HG2 THR 92 4.850 -12.038 -4.973 781 H ARG 93 H ARG 93 1.878 -10.201 -3.485 782 HA ARG 93 HA ARG 93 2.289 -8.595 -1.076 783 HB2 ARG 93 2HB ARG 93 0.108 -8.701 -2.282 784 HB3 ARG 93 3HB ARG 93 -0.022 -10.408 -1.879 785 HG2 ARG 93 2HG ARG 93 -0.301 -9.924 0.457 786 HG3 ARG 93 3HG ARG 93 0.199 -8.244 0.234 787 HD2 ARG 93 2HD ARG 93 -2.365 -9.530 -0.766 788 HD3 ARG 93 3HD ARG 93 -2.215 -8.286 0.483 789 HE ARG 93 HE ARG 93 -1.409 -6.758 -1.250 790 HH11 ARG 93 1HH1 ARG 93 -3.171 -9.574 -2.424 791 HH12 ARG 93 2HH1 ARG 93 -3.577 -8.828 -3.936 792 HH21 ARG 93 1HH2 ARG 93 -1.833 -5.849 -3.242 793 HH22 ARG 93 2HH2 ARG 93 -2.811 -6.693 -4.406 794 H THR 94 H THR 94 3.645 -9.470 0.356 795 HA THR 94 HA THR 94 3.408 -12.332 1.117 796 HB THR 94 HB THR 94 5.922 -10.581 1.146 797 HG1 THR 94 HG1 THR 94 4.772 -11.957 -0.870 798 HG21 THR 94 3HG2 THR 94 7.126 -12.705 1.586 799 HG22 THR 94 1HG2 THR 94 5.586 -13.555 1.692 800 HG23 THR 94 2HG2 THR 94 5.998 -12.322 2.889 801 H VAL 95 H VAL 95 2.226 -12.246 2.989 802 HA VAL 95 HA VAL 95 2.475 -10.011 4.840 803 HB VAL 95 HB VAL 95 0.238 -10.947 4.414 804 HG11 VAL 95 1HG1 VAL 95 -0.493 -13.127 5.271 805 HG12 VAL 95 2HG1 VAL 95 1.163 -13.499 5.754 806 HG13 VAL 95 3HG1 VAL 95 0.768 -13.300 4.046 807 HG21 VAL 95 3HG2 VAL 95 1.088 -11.321 7.307 808 HG22 VAL 95 1HG2 VAL 95 -0.570 -11.074 6.744 809 HG23 VAL 95 2HG2 VAL 95 0.631 -9.796 6.545 810 H ARG 96 H ARG 96 3.945 -9.917 6.349 811 HA ARG 96 HA ARG 96 5.699 -12.120 7.014 812 HB2 ARG 96 2HB ARG 96 5.593 -9.215 7.926 813 HB3 ARG 96 3HB ARG 96 6.808 -10.357 8.498 814 HG2 ARG 96 2HG ARG 96 7.591 -10.673 6.163 815 HG3 ARG 96 3HG ARG 96 6.403 -9.486 5.616 816 HD2 ARG 96 2HD ARG 96 7.517 -7.701 6.725 817 HD3 ARG 96 3HD ARG 96 8.486 -8.796 7.714 818 HE ARG 96 HE ARG 96 8.953 -8.039 4.921 819 HH11 ARG 96 1HH1 ARG 96 9.974 -10.023 7.658 820 HH12 ARG 96 2HH1 ARG 96 11.538 -10.351 6.983 821 HH21 ARG 96 1HH2 ARG 96 11.018 -8.455 4.077 822 HH22 ARG 96 2HH2 ARG 96 12.129 -9.460 4.956 823 H THR 97 H THR 97 3.368 -10.076 8.771 824 HA THR 97 HA THR 97 3.499 -11.500 11.230 825 HB THR 97 HB THR 97 1.336 -9.663 10.128 826 HG1 THR 97 HG1 THR 97 3.779 -9.288 11.390 827 HG21 THR 97 3HG2 THR 97 0.604 -9.371 12.483 828 HG22 THR 97 1HG2 THR 97 1.752 -10.600 13.002 829 HG23 THR 97 2HG2 THR 97 0.392 -11.047 11.963 830 H GLU 98 H GLU 98 3.057 -13.625 11.240 831 HA GLU 98 HA GLU 98 1.004 -14.867 9.615 832 HB2 GLU 98 2HB GLU 98 2.698 -15.996 11.898 833 HB3 GLU 98 3HB GLU 98 1.656 -16.956 10.846 834 HG2 GLU 98 2HG GLU 98 3.043 -16.302 8.896 835 HG3 GLU 98 3HG GLU 98 4.089 -15.366 9.959 836 H VAL 99 H VAL 99 -1.028 -15.467 10.327 837 HA VAL 99 HA VAL 99 -2.175 -13.930 12.433 838 HB VAL 99 HB VAL 99 -4.321 -15.001 11.816 839 HG11 VAL 99 1HG1 VAL 99 -4.432 -14.196 9.484 840 HG12 VAL 99 2HG1 VAL 99 -2.669 -14.165 9.404 841 HG13 VAL 99 3HG1 VAL 99 -3.523 -13.082 10.508 842 HG21 VAL 99 3HG2 VAL 99 -3.542 -17.307 11.365 843 HG22 VAL 99 1HG2 VAL 99 -2.698 -16.752 9.917 844 HG23 VAL 99 2HG2 VAL 99 -4.461 -16.676 9.996 845 H GLY 100 H GLY 100 -3.450 -14.758 14.226 846 HA2 GLY 100 2HA GLY 100 -3.820 -16.383 15.960 847 HA3 GLY 100 3HA GLY 100 -2.342 -17.209 15.490 848 H SER 101 H SER 101 -2.355 -13.749 15.631 849 HA SER 101 HA SER 101 -0.351 -13.432 17.568 850 HB2 SER 101 2HB SER 101 -0.910 -11.674 15.913 851 HB3 SER 101 3HB SER 101 -2.498 -11.455 16.644 852 HG SER 101 HG SER 101 -0.057 -10.451 17.401 853 H SER 102 H SER 102 -0.427 -13.632 19.706 854 HA SER 102 HA SER 102 -2.874 -14.421 21.018 855 HB2 SER 102 2HB SER 102 -0.675 -15.629 21.299 856 HB3 SER 102 3HB SER 102 -0.051 -14.225 22.163 857 HG SER 102 HG SER 102 -1.432 -16.247 23.142 858 H TRP 103 H TRP 103 -4.056 -12.528 21.084 859 HA TRP 103 HA TRP 103 -3.250 -10.024 22.127 860 HB2 TRP 103 2HB TRP 103 -5.144 -10.249 20.589 861 HB3 TRP 103 3HB TRP 103 -6.004 -11.271 21.732 862 HD1 TRP 103 HD1 TRP 103 -4.397 -7.859 22.689 863 HE1 TRP 103 HE1 TRP 103 -6.286 -6.277 23.430 864 HE3 TRP 103 HE3 TRP 103 -8.421 -10.807 21.574 865 HZ2 TRP 103 HZ2 TRP 103 -9.100 -6.264 23.516 866 HZ3 TRP 103 HZ3 TRP 103 -10.683 -9.935 22.004 867 HH2 TRP 103 HH2 TRP 103 -11.016 -7.704 22.956 868 H SER 104 H SER 104 -2.624 -9.734 24.165 869 HA SER 104 HA SER 104 -3.686 -11.334 26.385 870 HB2 SER 104 2HB SER 104 -1.743 -10.217 27.642 871 HB3 SER 104 3HB SER 104 -1.304 -11.293 26.323 872 HG SER 104 HG SER 104 -1.567 -8.500 25.945 873 H LEU 105 H LEU 105 -5.358 -10.538 27.459 874 HA LEU 105 HA LEU 105 -5.796 -7.633 27.710 875 HB2 LEU 105 2HB LEU 105 -7.653 -9.926 28.502 876 HB3 LEU 105 3HB LEU 105 -8.039 -8.216 28.554 877 HG LEU 105 HG LEU 105 -7.642 -8.268 25.954 878 HD11 LEU 105 1HD1 LEU 105 -8.123 -11.224 26.401 879 HD12 LEU 105 2HD1 LEU 105 -6.635 -10.487 25.800 880 HD13 LEU 105 3HD1 LEU 105 -8.112 -10.391 24.842 881 HD21 LEU 105 3HD2 LEU 105 -10.091 -9.624 27.135 882 HD22 LEU 105 1HD2 LEU 105 -9.985 -8.874 25.539 883 HD23 LEU 105 2HD2 LEU 105 -9.842 -7.883 26.988 884 H GLU 106 H GLU 106 -3.718 -7.844 29.075 885 HA GLU 106 HA GLU 106 -3.735 -9.136 31.602 886 HB2 GLU 106 2HB GLU 106 -2.053 -6.812 30.587 887 HB3 GLU 106 3HB GLU 106 -1.816 -7.550 32.170 888 HG2 GLU 106 2HG GLU 106 -1.398 -9.747 31.002 889 HG3 GLU 106 3HG GLU 106 -1.460 -8.879 29.465 890 H HIS 107 H HIS 107 -5.315 -8.727 32.976 891 HA HIS 107 HA HIS 107 -6.272 -5.964 33.466 892 HB2 HIS 107 2HB HIS 107 -7.863 -7.604 32.302 893 HB3 HIS 107 3HB HIS 107 -7.835 -8.580 33.764 894 HD1 HIS 107 HD1 HIS 107 -9.741 -8.122 35.302 895 HD2 HIS 107 HD2 HIS 107 -8.868 -4.836 32.915 896 HE1 HIS 107 HE1 HIS 107 -11.482 -6.401 35.853 897 HE2 HIS 107 HE2 HIS 107 -11.060 -4.533 34.227 898 H HIS 108 H HIS 108 -4.092 -6.556 34.819 899 HA HIS 108 HA HIS 108 -4.485 -7.863 37.354 900 HB2 HIS 108 2HB HIS 108 -2.240 -7.765 36.273 901 HB3 HIS 108 3HB HIS 108 -2.228 -6.014 36.431 902 HD1 HIS 108 HD1 HIS 108 -0.738 -5.318 38.287 903 HD2 HIS 108 HD2 HIS 108 -2.577 -8.951 39.117 904 HE1 HIS 108 HE1 HIS 108 0.105 -6.004 40.549 905 HE2 HIS 108 HE2 HIS 108 -1.083 -8.156 41.059 906 H HIS 109 H HIS 109 -6.396 -6.771 37.993 907 HA HIS 109 HA HIS 109 -5.924 -4.301 39.506 908 HB2 HIS 109 2HB HIS 109 -7.145 -3.827 37.288 909 HB3 HIS 109 3HB HIS 109 -8.500 -4.747 37.926 910 HD1 HIS 109 HD1 HIS 109 -9.955 -3.601 39.739 911 HD2 HIS 109 HD2 HIS 109 -6.710 -1.313 38.502 912 HE1 HIS 109 HE1 HIS 109 -10.333 -1.304 40.693 913 HE2 HIS 109 HE2 HIS 109 -8.287 0.009 40.049 914 H HIS 110 H HIS 110 -5.833 -5.354 41.375 915 HA HIS 110 HA HIS 110 -7.296 -7.648 42.116 916 HB2 HIS 110 2HB HIS 110 -6.285 -7.157 44.432 917 HB3 HIS 110 3HB HIS 110 -5.158 -7.389 43.108 918 HD1 HIS 110 HD1 HIS 110 -3.214 -5.961 43.706 919 HD2 HIS 110 HD2 HIS 110 -6.795 -3.932 44.249 920 HE1 HIS 110 HE1 HIS 110 -2.579 -3.627 44.373 921 HE2 HIS 110 HE2 HIS 110 -4.756 -2.394 44.562 922 H HIS 111 H HIS 111 -8.835 -7.962 43.782 923 HA HIS 111 HA HIS 111 -10.633 -5.664 44.344 924 HB2 HIS 111 2HB HIS 111 -11.287 -8.615 43.941 925 HB3 HIS 111 3HB HIS 111 -12.443 -7.465 44.603 926 HD1 HIS 111 HD1 HIS 111 -13.653 -5.940 42.991 927 HD2 HIS 111 HD2 HIS 111 -10.683 -8.191 41.154 928 HE1 HIS 111 HE1 HIS 111 -14.006 -5.646 40.525 929 HE2 HIS 111 HE2 HIS 111 -12.222 -7.040 39.441 930 H HIS 112 H HIS 112 -11.650 -5.554 46.404 931 HA HIS 112 HA HIS 112 -10.490 -7.240 48.555 932 HB2 HIS 112 2HB HIS 112 -10.523 -5.273 50.077 933 HB3 HIS 112 3HB HIS 112 -9.418 -5.071 48.734 934 HD1 HIS 112 HD1 HIS 112 -10.482 -3.497 46.702 935 HD2 HIS 112 HD2 HIS 112 -12.108 -3.103 50.500 936 HE1 HIS 112 HE1 HIS 112 -11.648 -1.275 46.712 937 HE2 HIS 112 HE2 HIS 112 -12.445 -0.986 49.083 Start of MODEL 19 1 H1 MET 1 1H MET 1 -6.597 -4.160 20.585 2 H2 MET 1 2H MET 1 -5.051 -4.676 21.035 3 H3 MET 1 3H MET 1 -6.064 -5.699 20.153 4 HA MET 1 HA MET 1 -5.983 -4.325 18.268 5 HB2 MET 1 2HB MET 1 -5.901 -2.142 19.256 6 HB3 MET 1 3HB MET 1 -4.383 -2.477 20.071 7 HG2 MET 1 2HG MET 1 -3.164 -2.360 17.995 8 HG3 MET 1 3HG MET 1 -4.657 -2.304 17.062 9 HE1 MET 1 3HE MET 1 -6.507 -0.274 18.519 10 HE2 MET 1 1HE MET 1 -6.177 -0.203 16.785 11 HE3 MET 1 2HE MET 1 -6.023 1.247 17.776 12 H LEU 2 H LEU 2 -4.562 -4.971 16.696 13 HA LEU 2 HA LEU 2 -1.970 -6.152 17.525 14 HB2 LEU 2 2HB LEU 2 -2.346 -7.803 15.601 15 HB3 LEU 2 3HB LEU 2 -3.315 -8.019 17.043 16 HG LEU 2 HG LEU 2 -5.211 -6.776 15.775 17 HD11 LEU 2 1HD1 LEU 2 -5.192 -6.880 13.335 18 HD12 LEU 2 2HD1 LEU 2 -3.525 -7.462 13.354 19 HD13 LEU 2 3HD1 LEU 2 -3.905 -5.839 13.936 20 HD21 LEU 2 3HD2 LEU 2 -6.002 -8.817 14.714 21 HD22 LEU 2 1HD2 LEU 2 -5.251 -9.182 16.267 22 HD23 LEU 2 2HD2 LEU 2 -4.378 -9.508 14.767 23 H THR 3 H THR 3 -0.284 -6.122 15.926 24 HA THR 3 HA THR 3 -0.591 -4.069 13.812 25 HB THR 3 HB THR 3 2.011 -4.786 15.240 26 HG1 THR 3 HG1 THR 3 0.156 -3.606 16.441 27 HG21 THR 3 3HG2 THR 3 1.284 -2.439 13.439 28 HG22 THR 3 1HG2 THR 3 2.326 -3.795 12.990 29 HG23 THR 3 2HG2 THR 3 2.834 -2.666 14.249 30 H VAL 4 H VAL 4 -0.685 -5.052 11.883 31 HA VAL 4 HA VAL 4 0.720 -7.588 11.381 32 HB VAL 4 HB VAL 4 -1.702 -7.478 10.809 33 HG11 VAL 4 1HG1 VAL 4 -2.530 -6.166 8.907 34 HG12 VAL 4 2HG1 VAL 4 -0.941 -5.422 8.716 35 HG13 VAL 4 3HG1 VAL 4 -1.887 -5.115 10.173 36 HG21 VAL 4 3HG2 VAL 4 0.075 -7.842 8.367 37 HG22 VAL 4 1HG2 VAL 4 -1.566 -8.472 8.551 38 HG23 VAL 4 2HG2 VAL 4 -0.269 -9.065 9.591 39 H GLU 5 H GLU 5 2.505 -7.628 10.176 40 HA GLU 5 HA GLU 5 3.258 -5.326 8.482 41 HB2 GLU 5 2HB GLU 5 5.085 -7.339 9.878 42 HB3 GLU 5 3HB GLU 5 5.625 -6.057 8.795 43 HG2 GLU 5 2HG GLU 5 4.642 -4.375 10.393 44 HG3 GLU 5 3HG GLU 5 4.276 -5.705 11.488 45 H VAL 6 H VAL 6 3.396 -5.702 6.364 46 HA VAL 6 HA VAL 6 3.910 -8.385 5.320 47 HB VAL 6 HB VAL 6 1.467 -8.289 5.357 48 HG11 VAL 6 1HG1 VAL 6 1.614 -5.749 3.709 49 HG12 VAL 6 2HG1 VAL 6 1.102 -5.868 5.393 50 HG13 VAL 6 3HG1 VAL 6 0.138 -6.630 4.124 51 HG21 VAL 6 3HG2 VAL 6 2.513 -9.428 3.449 52 HG22 VAL 6 1HG2 VAL 6 2.474 -7.934 2.514 53 HG23 VAL 6 2HG2 VAL 6 0.965 -8.723 2.987 54 H GLU 7 H GLU 7 5.250 -8.343 3.663 55 HA GLU 7 HA GLU 7 6.293 -5.839 2.587 56 HB2 GLU 7 2HB GLU 7 7.863 -7.603 3.297 57 HB3 GLU 7 3HB GLU 7 7.101 -8.763 2.215 58 HG2 GLU 7 2HG GLU 7 7.850 -7.344 0.268 59 HG3 GLU 7 3HG GLU 7 8.726 -6.321 1.407 60 H VAL 8 H VAL 8 4.982 -5.015 0.998 61 HA VAL 8 HA VAL 8 3.951 -6.787 -1.140 62 HB VAL 8 HB VAL 8 3.374 -3.812 -0.653 63 HG11 VAL 8 1HG1 VAL 8 2.016 -5.770 -2.549 64 HG12 VAL 8 2HG1 VAL 8 3.107 -4.466 -3.021 65 HG13 VAL 8 3HG1 VAL 8 1.546 -4.086 -2.292 66 HG21 VAL 8 3HG2 VAL 8 2.453 -5.199 1.181 67 HG22 VAL 8 1HG2 VAL 8 1.608 -6.209 0.004 68 HG23 VAL 8 2HG2 VAL 8 1.162 -4.511 0.194 69 H LYS 9 H LYS 9 5.524 -7.126 -2.587 70 HA LYS 9 HA LYS 9 7.584 -5.081 -3.100 71 HB2 LYS 9 2HB LYS 9 8.124 -7.492 -2.311 72 HB3 LYS 9 3HB LYS 9 7.655 -8.020 -3.922 73 HG2 LYS 9 2HG LYS 9 9.467 -6.742 -4.924 74 HG3 LYS 9 3HG LYS 9 9.869 -6.013 -3.363 75 HD2 LYS 9 2HD LYS 9 10.422 -8.325 -2.500 76 HD3 LYS 9 3HD LYS 9 10.156 -8.951 -4.130 77 HE2 LYS 9 2HE LYS 9 11.997 -7.554 -4.977 78 HE3 LYS 9 3HE LYS 9 12.238 -6.875 -3.365 79 HZ1 LYS 9 3HZ LYS 9 13.834 -8.601 -3.767 80 HZ2 LYS 9 1HZ LYS 9 12.627 -9.714 -4.157 81 HZ3 LYS 9 2HZ LYS 9 12.760 -9.131 -2.577 82 H ILE 10 H ILE 10 7.158 -3.859 -4.813 83 HA ILE 10 HA ILE 10 5.213 -4.732 -6.855 84 HB ILE 10 HB ILE 10 5.996 -1.874 -6.120 85 HG12 ILE 10 2HG1 ILE 10 3.617 -3.471 -5.067 86 HG13 ILE 10 3HG1 ILE 10 5.027 -2.997 -4.130 87 HG21 ILE 10 1HG2 ILE 10 4.995 -2.106 -8.357 88 HG22 ILE 10 2HG2 ILE 10 3.897 -1.254 -7.272 89 HG23 ILE 10 3HG2 ILE 10 3.603 -2.947 -7.665 90 HD11 ILE 10 3HD1 ILE 10 3.143 -1.584 -3.640 91 HD12 ILE 10 1HD1 ILE 10 2.995 -1.119 -5.334 92 HD13 ILE 10 2HD1 ILE 10 4.422 -0.647 -4.406 93 H THR 11 H THR 11 6.389 -5.451 -8.604 94 HA THR 11 HA THR 11 8.747 -4.012 -9.572 95 HB THR 11 HB THR 11 8.728 -6.477 -9.778 96 HG1 THR 11 HG1 THR 11 9.855 -5.141 -11.341 97 HG21 THR 11 3HG2 THR 11 6.331 -6.899 -10.162 98 HG22 THR 11 1HG2 THR 11 7.304 -7.622 -11.445 99 HG23 THR 11 2HG2 THR 11 6.431 -6.119 -11.743 100 H ALA 12 H ALA 12 8.747 -2.587 -11.270 101 HA ALA 12 HA ALA 12 6.393 -2.215 -12.977 102 HB1 ALA 12 3HB ALA 12 5.903 -0.820 -10.994 103 HB2 ALA 12 1HB ALA 12 6.161 0.171 -12.433 104 HB3 ALA 12 2HB ALA 12 7.433 0.033 -11.216 105 H ASP 13 H ASP 13 6.832 -0.233 -14.464 106 HA ASP 13 HA ASP 13 9.014 -0.788 -16.131 107 HB2 ASP 13 2HB ASP 13 6.897 0.302 -16.878 108 HB3 ASP 13 3HB ASP 13 7.313 1.753 -15.977 109 H ASP 14 H ASP 14 8.441 1.936 -13.936 110 HA ASP 14 HA ASP 14 11.342 2.333 -13.597 111 HB2 ASP 14 2HB ASP 14 10.865 4.847 -13.464 112 HB3 ASP 14 3HB ASP 14 10.831 4.122 -15.059 113 H GLU 15 H GLU 15 11.847 2.016 -11.544 114 HA GLU 15 HA GLU 15 9.989 1.733 -9.440 115 HB2 GLU 15 2HB GLU 15 11.860 1.263 -8.014 116 HB3 GLU 15 3HB GLU 15 12.238 0.592 -9.589 117 HG2 GLU 15 2HG GLU 15 13.339 3.189 -8.485 118 HG3 GLU 15 3HG GLU 15 14.183 1.648 -8.485 119 H ASN 16 H ASN 16 11.685 4.492 -10.642 120 HA ASN 16 HA ASN 16 11.632 6.279 -8.489 121 HB2 ASN 16 2HB ASN 16 12.872 6.687 -10.578 122 HB3 ASN 16 3HB ASN 16 11.376 6.761 -11.490 123 HD21 ASN 16 1HD2 ASN 16 12.036 8.301 -8.345 124 HD22 ASN 16 2HD2 ASN 16 11.865 9.918 -8.930 125 H LYS 17 H LYS 17 9.339 6.060 -11.223 126 HA LYS 17 HA LYS 17 7.487 7.911 -10.040 127 HB2 LYS 17 2HB LYS 17 7.269 6.189 -12.551 128 HB3 LYS 17 3HB LYS 17 6.144 7.475 -12.106 129 HG2 LYS 17 2HG LYS 17 9.100 7.860 -12.662 130 HG3 LYS 17 3HG LYS 17 7.794 8.178 -13.808 131 HD2 LYS 17 2HD LYS 17 6.902 9.940 -12.366 132 HD3 LYS 17 3HD LYS 17 8.115 9.588 -11.129 133 HE2 LYS 17 2HE LYS 17 8.701 11.570 -12.479 134 HE3 LYS 17 3HE LYS 17 9.896 10.285 -12.639 135 HZ1 LYS 17 3HZ LYS 17 7.752 10.875 -14.605 136 HZ2 LYS 17 1HZ LYS 17 8.946 9.693 -14.764 137 HZ3 LYS 17 2HZ LYS 17 9.371 11.325 -14.765 138 H ALA 18 H ALA 18 7.708 4.421 -10.428 139 HA ALA 18 HA ALA 18 5.196 3.546 -9.708 140 HB1 ALA 18 3HB ALA 18 7.853 2.312 -8.903 141 HB2 ALA 18 1HB ALA 18 7.011 2.050 -10.430 142 HB3 ALA 18 2HB ALA 18 6.288 1.490 -8.920 143 H GLU 19 H GLU 19 7.937 4.332 -7.561 144 HA GLU 19 HA GLU 19 6.703 3.821 -5.090 145 HB2 GLU 19 2HB GLU 19 9.132 4.047 -5.286 146 HB3 GLU 19 3HB GLU 19 8.979 5.727 -5.796 147 HG2 GLU 19 2HG GLU 19 8.004 6.289 -3.573 148 HG3 GLU 19 3HG GLU 19 8.224 4.620 -3.067 149 H GLU 20 H GLU 20 7.085 6.861 -6.919 150 HA GLU 20 HA GLU 20 5.990 8.653 -5.066 151 HB2 GLU 20 2HB GLU 20 6.035 8.824 -8.106 152 HB3 GLU 20 3HB GLU 20 5.650 10.172 -7.040 153 HG2 GLU 20 2HG GLU 20 7.912 10.106 -6.093 154 HG3 GLU 20 3HG GLU 20 8.303 8.700 -7.084 155 H ILE 21 H ILE 21 4.417 6.865 -7.700 156 HA ILE 21 HA ILE 21 1.810 7.897 -7.462 157 HB ILE 21 HB ILE 21 2.809 5.203 -8.504 158 HG12 ILE 21 2HG1 ILE 21 1.821 7.652 -10.040 159 HG13 ILE 21 3HG1 ILE 21 3.516 7.293 -9.747 160 HG21 ILE 21 1HG2 ILE 21 -0.003 6.325 -8.780 161 HG22 ILE 21 2HG2 ILE 21 0.457 4.911 -7.830 162 HG23 ILE 21 3HG2 ILE 21 0.609 4.879 -9.588 163 HD11 ILE 21 3HD1 ILE 21 3.280 5.217 -11.038 164 HD12 ILE 21 1HD1 ILE 21 2.902 6.659 -11.979 165 HD13 ILE 21 2HD1 ILE 21 1.597 5.635 -11.378 166 H VAL 22 H VAL 22 3.314 4.962 -6.034 167 HA VAL 22 HA VAL 22 1.046 4.009 -4.667 168 HB VAL 22 HB VAL 22 4.022 3.569 -4.148 169 HG11 VAL 22 1HG1 VAL 22 2.827 3.094 -2.044 170 HG12 VAL 22 2HG1 VAL 22 3.407 1.600 -2.781 171 HG13 VAL 22 3HG1 VAL 22 1.702 2.039 -2.906 172 HG21 VAL 22 3HG2 VAL 22 3.150 2.750 -6.318 173 HG22 VAL 22 1HG2 VAL 22 1.935 1.795 -5.470 174 HG23 VAL 22 2HG2 VAL 22 3.649 1.413 -5.280 175 H LYS 23 H LYS 23 3.626 6.235 -3.543 176 HA LYS 23 HA LYS 23 2.832 6.414 -0.833 177 HB2 LYS 23 2HB LYS 23 4.320 8.464 -2.530 178 HB3 LYS 23 3HB LYS 23 4.177 8.528 -0.777 179 HG2 LYS 23 2HG LYS 23 5.405 6.367 -0.623 180 HG3 LYS 23 3HG LYS 23 5.590 6.375 -2.377 181 HD2 LYS 23 2HD LYS 23 7.655 7.186 -1.394 182 HD3 LYS 23 3HD LYS 23 6.855 8.543 -2.187 183 HE2 LYS 23 2HE LYS 23 6.017 9.327 0.005 184 HE3 LYS 23 3HE LYS 23 6.795 7.956 0.796 185 HZ1 LYS 23 3HZ LYS 23 8.099 9.990 0.978 186 HZ2 LYS 23 1HZ LYS 23 8.222 10.093 -0.707 187 HZ3 LYS 23 2HZ LYS 23 8.939 8.804 0.119 188 H ARG 24 H ARG 24 2.109 8.530 -3.627 189 HA ARG 24 HA ARG 24 0.415 10.393 -2.421 190 HB2 ARG 24 2HB ARG 24 1.190 10.827 -4.658 191 HB3 ARG 24 3HB ARG 24 0.539 9.308 -5.261 192 HG2 ARG 24 2HG ARG 24 -1.745 10.137 -5.059 193 HG3 ARG 24 3HG ARG 24 -1.186 11.610 -4.268 194 HD2 ARG 24 2HD ARG 24 -0.107 12.360 -6.322 195 HD3 ARG 24 3HD ARG 24 -0.476 10.830 -7.117 196 HE ARG 24 HE ARG 24 -2.501 11.679 -7.665 197 HH11 ARG 24 1HH1 ARG 24 -1.493 13.450 -4.772 198 HH12 ARG 24 2HH1 ARG 24 -2.884 14.483 -4.785 199 HH21 ARG 24 1HH2 ARG 24 -4.292 13.068 -7.673 200 HH22 ARG 24 2HH2 ARG 24 -4.468 14.268 -6.429 201 H VAL 25 H VAL 25 -0.327 7.303 -3.965 202 HA VAL 25 HA VAL 25 -3.136 7.494 -3.849 203 HB VAL 25 HB VAL 25 -1.202 5.206 -4.377 204 HG11 VAL 25 1HG1 VAL 25 -3.118 3.836 -5.112 205 HG12 VAL 25 2HG1 VAL 25 -4.229 5.060 -4.495 206 HG13 VAL 25 3HG1 VAL 25 -3.183 4.175 -3.382 207 HG21 VAL 25 3HG2 VAL 25 -2.009 5.428 -6.699 208 HG22 VAL 25 1HG2 VAL 25 -1.406 6.979 -6.108 209 HG23 VAL 25 2HG2 VAL 25 -3.143 6.687 -6.202 210 H ILE 26 H ILE 26 -0.752 5.984 -1.660 211 HA ILE 26 HA ILE 26 -2.691 4.768 0.058 212 HB ILE 26 HB ILE 26 0.249 5.431 0.516 213 HG12 ILE 26 2HG1 ILE 26 -1.166 2.773 -0.001 214 HG13 ILE 26 3HG1 ILE 26 -0.256 3.683 -1.200 215 HG21 ILE 26 1HG2 ILE 26 -0.910 5.394 2.712 216 HG22 ILE 26 2HG2 ILE 26 0.186 4.029 2.534 217 HG23 ILE 26 3HG2 ILE 26 -1.550 3.790 2.343 218 HD11 ILE 26 3HD1 ILE 26 0.863 2.388 1.283 219 HD12 ILE 26 1HD1 ILE 26 1.784 3.353 0.127 220 HD13 ILE 26 2HD1 ILE 26 1.045 1.837 -0.381 221 H ASP 27 H ASP 27 -1.166 7.973 -0.076 222 HA ASP 27 HA ASP 27 -2.242 8.972 2.378 223 HB2 ASP 27 2HB ASP 27 -0.378 10.101 1.193 224 HB3 ASP 27 3HB ASP 27 -1.445 10.497 -0.148 225 H GLU 28 H GLU 28 -3.522 8.708 -0.918 226 HA GLU 28 HA GLU 28 -5.929 10.176 -0.556 227 HB2 GLU 28 2HB GLU 28 -5.457 7.815 -2.427 228 HB3 GLU 28 3HB GLU 28 -6.756 8.989 -2.561 229 HG2 GLU 28 2HG GLU 28 -3.818 9.635 -2.880 230 HG3 GLU 28 3HG GLU 28 -4.898 9.269 -4.216 231 H VAL 29 H VAL 29 -5.058 6.755 -0.100 232 HA VAL 29 HA VAL 29 -7.611 5.817 0.738 233 HB VAL 29 HB VAL 29 -4.845 4.610 1.273 234 HG11 VAL 29 1HG1 VAL 29 -7.571 3.276 1.451 235 HG12 VAL 29 2HG1 VAL 29 -6.524 3.678 2.814 236 HG13 VAL 29 3HG1 VAL 29 -6.014 2.464 1.639 237 HG21 VAL 29 3HG2 VAL 29 -5.273 4.831 -1.137 238 HG22 VAL 29 1HG2 VAL 29 -6.806 3.980 -0.959 239 HG23 VAL 29 2HG2 VAL 29 -5.286 3.133 -0.659 240 H GLU 30 H GLU 30 -4.845 7.233 2.403 241 HA GLU 30 HA GLU 30 -5.294 6.181 4.992 242 HB2 GLU 30 2HB GLU 30 -3.094 7.010 4.241 243 HB3 GLU 30 3HB GLU 30 -3.713 8.656 4.170 244 HG2 GLU 30 2HG GLU 30 -4.053 8.651 6.616 245 HG3 GLU 30 3HG GLU 30 -3.500 6.982 6.703 246 H ARG 31 H ARG 31 -6.158 9.291 3.507 247 HA ARG 31 HA ARG 31 -7.188 10.577 5.791 248 HB2 ARG 31 2HB ARG 31 -8.229 12.153 4.255 249 HB3 ARG 31 3HB ARG 31 -6.626 11.730 3.659 250 HG2 ARG 31 2HG ARG 31 -7.713 10.099 2.075 251 HG3 ARG 31 3HG ARG 31 -9.285 10.707 2.602 252 HD2 ARG 31 2HD ARG 31 -8.654 11.758 0.512 253 HD3 ARG 31 3HD ARG 31 -8.645 12.970 1.797 254 HE ARG 31 HE ARG 31 -6.121 12.447 1.848 255 HH11 ARG 31 1HH1 ARG 31 -8.087 12.558 -1.081 256 HH12 ARG 31 2HH1 ARG 31 -6.748 12.974 -2.104 257 HH21 ARG 31 1HH2 ARG 31 -4.365 12.869 0.481 258 HH22 ARG 31 2HH2 ARG 31 -4.640 13.150 -1.213 259 H GLU 32 H GLU 32 -8.641 8.288 3.564 260 HA GLU 32 HA GLU 32 -11.351 8.482 4.479 261 HB2 GLU 32 2HB GLU 32 -9.960 6.196 3.003 262 HB3 GLU 32 3HB GLU 32 -11.699 6.447 3.123 263 HG2 GLU 32 2HG GLU 32 -11.522 8.496 1.768 264 HG3 GLU 32 3HG GLU 32 -9.768 8.319 1.710 265 H VAL 33 H VAL 33 -8.588 6.372 5.113 266 HA VAL 33 HA VAL 33 -9.829 4.453 6.756 267 HB VAL 33 HB VAL 33 -6.926 5.280 6.370 268 HG11 VAL 33 1HG1 VAL 33 -7.041 4.428 8.665 269 HG12 VAL 33 2HG1 VAL 33 -6.224 3.259 7.627 270 HG13 VAL 33 3HG1 VAL 33 -7.897 2.985 8.112 271 HG21 VAL 33 3HG2 VAL 33 -8.468 2.798 5.518 272 HG22 VAL 33 1HG2 VAL 33 -6.754 3.096 5.203 273 HG23 VAL 33 2HG2 VAL 33 -7.980 4.133 4.470 274 H GLN 34 H GLN 34 -8.103 7.480 7.593 275 HA GLN 34 HA GLN 34 -7.851 6.949 10.347 276 HB2 GLN 34 2HB GLN 34 -7.889 9.653 8.952 277 HB3 GLN 34 3HB GLN 34 -7.349 9.374 10.602 278 HG2 GLN 34 2HG GLN 34 -6.033 8.288 8.094 279 HG3 GLN 34 3HG GLN 34 -5.458 9.632 9.066 280 HE21 GLN 34 1HE2 GLN 34 -5.731 6.160 8.865 281 HE22 GLN 34 2HE2 GLN 34 -4.671 5.799 10.178 282 H LYS 35 H LYS 35 -10.505 8.379 8.485 283 HA LYS 35 HA LYS 35 -11.932 9.168 10.922 284 HB2 LYS 35 2HB LYS 35 -13.604 10.201 9.394 285 HB3 LYS 35 3HB LYS 35 -11.977 10.809 9.162 286 HG2 LYS 35 2HG LYS 35 -12.639 10.622 6.971 287 HG3 LYS 35 3HG LYS 35 -11.916 9.028 7.193 288 HD2 LYS 35 2HD LYS 35 -14.178 8.066 7.589 289 HD3 LYS 35 3HD LYS 35 -14.892 9.668 7.386 290 HE2 LYS 35 2HE LYS 35 -14.080 9.727 5.051 291 HE3 LYS 35 3HE LYS 35 -13.383 8.118 5.255 292 HZ1 LYS 35 3HZ LYS 35 -16.274 8.798 5.452 293 HZ2 LYS 35 1HZ LYS 35 -15.614 7.256 5.674 294 HZ3 LYS 35 2HZ LYS 35 -15.525 8.005 4.162 295 H GLN 36 H GLN 36 -11.775 6.425 8.874 296 HA GLN 36 HA GLN 36 -14.382 5.357 9.747 297 HB2 GLN 36 2HB GLN 36 -12.206 4.193 7.944 298 HB3 GLN 36 3HB GLN 36 -13.679 3.337 8.378 299 HG2 GLN 36 2HG GLN 36 -13.521 5.914 6.801 300 HG3 GLN 36 3HG GLN 36 -13.850 4.310 6.146 301 HE21 GLN 36 1HE2 GLN 36 -15.874 3.321 6.634 302 HE22 GLN 36 2HE2 GLN 36 -17.231 4.258 7.156 303 H TYR 37 H TYR 37 -11.001 5.155 10.472 304 HA TYR 37 HA TYR 37 -11.406 3.224 12.652 305 HB2 TYR 37 2HB TYR 37 -8.968 3.074 10.827 306 HB3 TYR 37 3HB TYR 37 -9.505 1.891 12.007 307 HD1 TYR 37 HD1 TYR 37 -11.606 0.475 11.440 308 HD2 TYR 37 HD2 TYR 37 -9.635 2.915 8.539 309 HE1 TYR 37 HE1 TYR 37 -12.733 -0.745 9.623 310 HE2 TYR 37 HE2 TYR 37 -10.758 1.695 6.731 311 HH TYR 37 HH TYR 37 -13.406 -0.322 7.284 312 HA PRO 38 HA PRO 38 -9.513 7.308 13.789 313 HB2 PRO 38 2HB PRO 38 -10.203 7.245 16.483 314 HB3 PRO 38 3HB PRO 38 -11.297 7.757 15.183 315 HG2 PRO 38 2HG PRO 38 -11.111 5.074 16.525 316 HG3 PRO 38 3HG PRO 38 -12.556 6.031 16.121 317 HD2 PRO 38 2HD PRO 38 -11.790 3.970 14.572 318 HD3 PRO 38 3HD PRO 38 -12.476 5.447 13.851 319 H ASN 39 H ASN 39 -8.814 4.229 15.401 320 HA ASN 39 HA ASN 39 -6.280 5.335 16.492 321 HB2 ASN 39 2HB ASN 39 -7.804 2.818 17.303 322 HB3 ASN 39 3HB ASN 39 -6.221 3.255 17.929 323 HD21 ASN 39 1HD2 ASN 39 -9.123 5.291 17.405 324 HD22 ASN 39 2HD2 ASN 39 -9.273 5.768 19.054 325 H ALA 40 H ALA 40 -7.144 4.041 13.696 326 HA ALA 40 HA ALA 40 -5.258 1.874 13.399 327 HB1 ALA 40 3HB ALA 40 -7.243 1.900 11.996 328 HB2 ALA 40 1HB ALA 40 -5.807 2.007 10.980 329 HB3 ALA 40 2HB ALA 40 -6.779 3.450 11.295 330 H THR 41 H THR 41 -3.175 2.046 12.970 331 HA THR 41 HA THR 41 -1.959 4.652 12.331 332 HB THR 41 HB THR 41 -0.752 2.169 13.630 333 HG1 THR 41 HG1 THR 41 -2.374 3.919 14.682 334 HG21 THR 41 3HG2 THR 41 0.970 3.518 12.479 335 HG22 THR 41 1HG2 THR 41 1.141 3.624 14.234 336 HG23 THR 41 2HG2 THR 41 0.417 4.960 13.338 337 H ILE 42 H ILE 42 -1.462 4.808 10.242 338 HA ILE 42 HA ILE 42 -0.685 2.462 8.634 339 HB ILE 42 HB ILE 42 -1.524 5.297 7.870 340 HG12 ILE 42 2HG1 ILE 42 -2.893 2.592 7.514 341 HG13 ILE 42 3HG1 ILE 42 -3.408 3.898 8.574 342 HG21 ILE 42 1HG2 ILE 42 -0.776 3.067 5.962 343 HG22 ILE 42 2HG2 ILE 42 0.187 4.511 6.272 344 HG23 ILE 42 3HG2 ILE 42 -1.400 4.654 5.513 345 HD11 ILE 42 3HD1 ILE 42 -4.780 3.701 6.572 346 HD12 ILE 42 1HD1 ILE 42 -3.376 4.025 5.559 347 HD13 ILE 42 2HD1 ILE 42 -3.977 5.264 6.665 348 H THR 43 H THR 43 1.420 2.074 9.070 349 HA THR 43 HA THR 43 3.405 4.263 8.961 350 HB THR 43 HB THR 43 3.694 1.440 10.106 351 HG1 THR 43 HG1 THR 43 2.816 3.860 11.187 352 HG21 THR 43 3HG2 THR 43 5.747 2.285 11.168 353 HG22 THR 43 1HG2 THR 43 5.527 3.856 10.395 354 HG23 THR 43 2HG2 THR 43 5.868 2.427 9.413 355 H ARG 44 H ARG 44 4.087 4.464 6.909 356 HA ARG 44 HA ARG 44 4.624 2.065 5.261 357 HB2 ARG 44 2HB ARG 44 3.246 4.590 4.638 358 HB3 ARG 44 3HB ARG 44 4.586 4.342 3.539 359 HG2 ARG 44 2HG ARG 44 2.794 3.391 2.411 360 HG3 ARG 44 3HG ARG 44 3.589 1.994 3.129 361 HD2 ARG 44 2HD ARG 44 1.137 3.378 4.255 362 HD3 ARG 44 3HD ARG 44 1.107 1.928 3.253 363 HE ARG 44 HE ARG 44 2.729 1.567 5.554 364 HH11 ARG 44 1HH1 ARG 44 -0.614 1.514 4.476 365 HH12 ARG 44 2HH1 ARG 44 -1.135 0.490 5.773 366 HH21 ARG 44 1HH2 ARG 44 2.000 0.411 7.326 367 HH22 ARG 44 2HH2 ARG 44 0.358 -0.130 7.388 368 H THR 45 H THR 45 6.566 1.787 4.360 369 HA THR 45 HA THR 45 8.543 3.936 4.229 370 HB THR 45 HB THR 45 9.131 1.214 5.524 371 HG1 THR 45 HG1 THR 45 8.567 3.748 6.540 372 HG21 THR 45 3HG2 THR 45 11.407 2.124 5.917 373 HG22 THR 45 1HG2 THR 45 10.986 3.566 4.993 374 HG23 THR 45 2HG2 THR 45 11.057 1.992 4.193 375 H LEU 46 H LEU 46 8.795 3.963 2.048 376 HA LEU 46 HA LEU 46 8.892 1.423 0.530 377 HB2 LEU 46 2HB LEU 46 8.561 4.286 -0.466 378 HB3 LEU 46 3HB LEU 46 8.701 2.877 -1.501 379 HG LEU 46 HG LEU 46 6.560 2.007 -0.260 380 HD11 LEU 46 1HD1 LEU 46 6.484 3.625 1.553 381 HD12 LEU 46 2HD1 LEU 46 5.029 3.734 0.564 382 HD13 LEU 46 3HD1 LEU 46 6.300 4.949 0.398 383 HD21 LEU 46 3HD2 LEU 46 6.367 4.319 -2.205 384 HD22 LEU 46 1HD2 LEU 46 5.089 3.152 -1.854 385 HD23 LEU 46 2HD2 LEU 46 6.585 2.617 -2.616 386 H THR 47 H THR 47 10.667 0.883 -0.669 387 HA THR 47 HA THR 47 13.043 2.660 -0.682 388 HB THR 47 HB THR 47 13.043 -0.340 -0.066 389 HG1 THR 47 HG1 THR 47 13.057 1.939 1.511 390 HG21 THR 47 3HG2 THR 47 15.477 -0.087 0.332 391 HG22 THR 47 1HG2 THR 47 15.394 1.590 -0.206 392 HG23 THR 47 2HG2 THR 47 15.069 0.282 -1.346 393 H ARG 48 H ARG 48 14.188 2.608 -2.672 394 HA ARG 48 HA ARG 48 12.889 1.229 -4.892 395 HB2 ARG 48 2HB ARG 48 15.277 3.123 -4.819 396 HB3 ARG 48 3HB ARG 48 14.773 2.290 -6.284 397 HG2 ARG 48 2HG ARG 48 13.840 4.442 -6.461 398 HG3 ARG 48 3HG ARG 48 12.491 3.409 -5.982 399 HD2 ARG 48 2HD ARG 48 12.473 5.542 -4.776 400 HD3 ARG 48 3HD ARG 48 12.718 4.196 -3.657 401 HE ARG 48 HE ARG 48 15.248 4.962 -4.210 402 HH11 ARG 48 1HH1 ARG 48 12.457 6.854 -3.183 403 HH12 ARG 48 2HH1 ARG 48 13.426 8.041 -2.363 404 HH21 ARG 48 1HH2 ARG 48 16.496 6.508 -3.129 405 HH22 ARG 48 2HH2 ARG 48 15.725 7.843 -2.332 406 H ASP 49 H ASP 49 14.044 -0.148 -6.311 407 HA ASP 49 HA ASP 49 16.304 -1.707 -5.317 408 HB2 ASP 49 2HB ASP 49 14.165 -2.572 -4.176 409 HB3 ASP 49 3HB ASP 49 13.563 -2.991 -5.773 410 H ASP 50 H ASP 50 16.574 -3.623 -7.059 411 HA ASP 50 HA ASP 50 17.089 -2.355 -9.526 412 HB2 ASP 50 2HB ASP 50 18.468 -4.193 -8.570 413 HB3 ASP 50 3HB ASP 50 17.143 -5.321 -8.826 414 H GLY 51 H GLY 51 15.204 -1.566 -10.367 415 HA2 GLY 51 2HA GLY 51 13.456 -1.545 -11.866 416 HA3 GLY 51 3HA GLY 51 13.625 -3.281 -12.054 417 H THR 52 H THR 52 13.223 -2.011 -8.856 418 HA THR 52 HA THR 52 10.419 -2.899 -8.679 419 HB THR 52 HB THR 52 12.629 -4.080 -6.918 420 HG1 THR 52 HG1 THR 52 12.889 -4.954 -8.946 421 HG21 THR 52 3HG2 THR 52 10.926 -5.711 -6.203 422 HG22 THR 52 1HG2 THR 52 9.722 -4.921 -7.225 423 HG23 THR 52 2HG2 THR 52 10.395 -4.068 -5.834 424 H VAL 53 H VAL 53 9.357 -2.140 -6.760 425 HA VAL 53 HA VAL 53 10.845 -0.379 -4.891 426 HB VAL 53 HB VAL 53 7.842 -0.231 -5.518 427 HG11 VAL 53 1HG1 VAL 53 8.369 0.480 -3.223 428 HG12 VAL 53 2HG1 VAL 53 7.874 1.865 -4.196 429 HG13 VAL 53 3HG1 VAL 53 9.582 1.612 -3.829 430 HG21 VAL 53 3HG2 VAL 53 10.025 1.669 -6.438 431 HG22 VAL 53 1HG2 VAL 53 8.288 1.903 -6.661 432 HG23 VAL 53 2HG2 VAL 53 9.108 0.562 -7.463 433 H GLU 54 H GLU 54 10.894 -1.229 -2.820 434 HA GLU 54 HA GLU 54 9.102 -3.470 -2.150 435 HB2 GLU 54 2HB GLU 54 11.608 -3.699 -1.812 436 HB3 GLU 54 3HB GLU 54 11.502 -2.457 -0.571 437 HG2 GLU 54 2HG GLU 54 9.987 -3.904 0.755 438 HG3 GLU 54 3HG GLU 54 10.076 -5.148 -0.491 439 H LEU 55 H LEU 55 7.243 -2.729 -1.415 440 HA LEU 55 HA LEU 55 6.991 -0.278 0.185 441 HB2 LEU 55 2HB LEU 55 5.446 -0.420 -1.643 442 HB3 LEU 55 3HB LEU 55 5.053 -2.093 -1.293 443 HG LEU 55 HG LEU 55 3.846 -1.340 0.782 444 HD11 LEU 55 1HD1 LEU 55 4.994 0.753 1.219 445 HD12 LEU 55 2HD1 LEU 55 3.256 1.007 1.083 446 HD13 LEU 55 3HD1 LEU 55 4.320 1.460 -0.253 447 HD21 LEU 55 3HD2 LEU 55 2.845 -0.130 -1.810 448 HD22 LEU 55 1HD2 LEU 55 1.865 -0.455 -0.374 449 HD23 LEU 55 2HD2 LEU 55 2.599 -1.790 -1.261 450 H ARG 56 H ARG 56 7.135 -0.503 2.343 451 HA ARG 56 HA ARG 56 6.514 -3.064 3.653 452 HB2 ARG 56 2HB ARG 56 7.738 -0.553 4.876 453 HB3 ARG 56 3HB ARG 56 7.644 -2.149 5.619 454 HG2 ARG 56 2HG ARG 56 9.345 -1.327 3.245 455 HG3 ARG 56 3HG ARG 56 9.903 -1.768 4.858 456 HD2 ARG 56 2HD ARG 56 8.536 -3.644 2.901 457 HD3 ARG 56 3HD ARG 56 10.272 -3.564 3.216 458 HE ARG 56 HE ARG 56 8.644 -4.045 5.571 459 HH11 ARG 56 1HH1 ARG 56 10.451 -5.526 2.949 460 HH12 ARG 56 2HH1 ARG 56 10.640 -7.038 3.774 461 HH21 ARG 56 1HH2 ARG 56 8.888 -6.042 6.641 462 HH22 ARG 56 2HH2 ARG 56 9.758 -7.331 5.865 463 H ILE 57 H ILE 57 4.429 -3.273 4.110 464 HA ILE 57 HA ILE 57 2.797 -1.005 5.033 465 HB ILE 57 HB ILE 57 2.063 -3.867 4.261 466 HG12 ILE 57 2HG1 ILE 57 2.737 -2.380 2.332 467 HG13 ILE 57 3HG1 ILE 57 1.090 -2.986 2.222 468 HG21 ILE 57 1HG2 ILE 57 0.493 -3.075 5.951 469 HG22 ILE 57 2HG2 ILE 57 -0.308 -3.165 4.382 470 HG23 ILE 57 3HG2 ILE 57 0.196 -1.600 5.026 471 HD11 ILE 57 3HD1 ILE 57 1.217 -0.685 1.518 472 HD12 ILE 57 1HD1 ILE 57 1.917 -0.210 3.063 473 HD13 ILE 57 2HD1 ILE 57 0.254 -0.801 2.990 474 H LYS 58 H LYS 58 3.142 -0.689 7.203 475 HA LYS 58 HA LYS 58 2.809 -2.999 9.046 476 HB2 LYS 58 2HB LYS 58 5.061 -1.958 9.188 477 HB3 LYS 58 3HB LYS 58 4.337 -0.375 9.438 478 HG2 LYS 58 2HG LYS 58 3.415 -1.142 11.609 479 HG3 LYS 58 3HG LYS 58 4.142 -2.730 11.346 480 HD2 LYS 58 2HD LYS 58 6.399 -1.710 11.351 481 HD3 LYS 58 3HD LYS 58 5.684 -0.112 11.586 482 HE2 LYS 58 2HE LYS 58 6.558 -1.007 13.701 483 HE3 LYS 58 3HE LYS 58 4.805 -0.827 13.777 484 HZ1 LYS 58 3HZ LYS 58 4.595 -3.210 13.357 485 HZ2 LYS 58 1HZ LYS 58 5.509 -2.912 14.746 486 HZ3 LYS 58 2HZ LYS 58 6.276 -3.375 13.312 487 H VAL 59 H VAL 59 0.646 -2.941 9.454 488 HA VAL 59 HA VAL 59 -0.708 -0.353 9.993 489 HB VAL 59 HB VAL 59 -1.908 -3.007 9.042 490 HG11 VAL 59 1HG1 VAL 59 -4.071 -1.822 8.919 491 HG12 VAL 59 2HG1 VAL 59 -3.333 -0.385 9.627 492 HG13 VAL 59 3HG1 VAL 59 -3.464 -1.868 10.575 493 HG21 VAL 59 3HG2 VAL 59 -1.706 -0.348 7.582 494 HG22 VAL 59 1HG2 VAL 59 -2.493 -1.808 6.974 495 HG23 VAL 59 2HG2 VAL 59 -0.747 -1.787 7.238 496 H LYS 60 H LYS 60 -1.104 -0.027 12.101 497 HA LYS 60 HA LYS 60 -1.606 -2.323 13.897 498 HB2 LYS 60 2HB LYS 60 0.167 -0.717 14.587 499 HB3 LYS 60 3HB LYS 60 -1.008 0.595 14.551 500 HG2 LYS 60 2HG LYS 60 -2.271 -0.457 16.381 501 HG3 LYS 60 3HG LYS 60 -1.143 -1.818 16.388 502 HD2 LYS 60 2HD LYS 60 -0.624 -0.260 18.214 503 HD3 LYS 60 3HD LYS 60 0.697 -0.298 17.043 504 HE2 LYS 60 2HE LYS 60 -0.166 1.813 16.044 505 HE3 LYS 60 3HE LYS 60 -1.450 1.841 17.251 506 HZ1 LYS 60 3HZ LYS 60 0.383 3.281 17.866 507 HZ2 LYS 60 1HZ LYS 60 1.458 1.976 17.829 508 HZ3 LYS 60 2HZ LYS 60 0.223 2.019 18.977 509 H ALA 61 H ALA 61 -3.735 -2.803 14.036 510 HA ALA 61 HA ALA 61 -5.773 -0.659 14.163 511 HB1 ALA 61 3HB ALA 61 -7.226 -1.807 12.546 512 HB2 ALA 61 1HB ALA 61 -5.979 -3.031 12.276 513 HB3 ALA 61 2HB ALA 61 -5.691 -1.359 11.793 514 H ASP 62 H ASP 62 -7.881 -1.493 14.893 515 HA ASP 62 HA ASP 62 -7.551 -2.603 17.431 516 HB2 ASP 62 2HB ASP 62 -9.378 -1.035 16.731 517 HB3 ASP 62 3HB ASP 62 -10.147 -2.348 15.847 518 H THR 63 H THR 63 -9.003 -4.070 14.531 519 HA THR 63 HA THR 63 -8.553 -6.782 15.660 520 HB THR 63 HB THR 63 -10.478 -7.550 14.216 521 HG1 THR 63 HG1 THR 63 -11.892 -5.459 13.806 522 HG21 THR 63 3HG2 THR 63 -12.293 -6.712 15.648 523 HG22 THR 63 1HG2 THR 63 -11.242 -5.436 16.270 524 HG23 THR 63 2HG2 THR 63 -10.881 -7.131 16.617 525 H GLU 64 H GLU 64 -8.172 -8.451 14.022 526 HA GLU 64 HA GLU 64 -6.271 -7.858 12.065 527 HB2 GLU 64 2HB GLU 64 -6.516 -10.190 11.343 528 HB3 GLU 64 3HB GLU 64 -6.510 -10.083 13.100 529 HG2 GLU 64 2HG GLU 64 -8.967 -10.306 13.134 530 HG3 GLU 64 3HG GLU 64 -8.984 -10.416 11.375 531 H GLU 65 H GLU 65 -9.776 -8.039 11.879 532 HA GLU 65 HA GLU 65 -10.155 -8.150 9.097 533 HB2 GLU 65 2HB GLU 65 -11.958 -8.555 10.727 534 HB3 GLU 65 3HB GLU 65 -11.884 -6.878 11.265 535 HG2 GLU 65 2HG GLU 65 -12.589 -6.149 8.980 536 HG3 GLU 65 3HG GLU 65 -12.715 -7.839 8.500 537 H LYS 66 H LYS 66 -9.873 -5.399 11.325 538 HA LYS 66 HA LYS 66 -10.291 -3.391 9.312 539 HB2 LYS 66 2HB LYS 66 -9.294 -3.183 12.192 540 HB3 LYS 66 3HB LYS 66 -9.699 -1.801 11.167 541 HG2 LYS 66 2HG LYS 66 -12.016 -2.608 10.965 542 HG3 LYS 66 3HG LYS 66 -11.627 -4.002 11.978 543 HD2 LYS 66 2HD LYS 66 -11.182 -2.511 13.890 544 HD3 LYS 66 3HD LYS 66 -11.485 -1.091 12.875 545 HE2 LYS 66 2HE LYS 66 -13.808 -1.915 12.495 546 HE3 LYS 66 3HE LYS 66 -13.488 -3.250 13.599 547 HZ1 LYS 66 3HZ LYS 66 -13.376 -0.382 14.334 548 HZ2 LYS 66 1HZ LYS 66 -13.194 -1.697 15.384 549 HZ3 LYS 66 2HZ LYS 66 -14.681 -1.411 14.631 550 H ALA 67 H ALA 67 -7.488 -4.923 10.778 551 HA ALA 67 HA ALA 67 -5.469 -3.231 9.769 552 HB1 ALA 67 3HB ALA 67 -5.119 -4.885 11.568 553 HB2 ALA 67 1HB ALA 67 -3.961 -5.098 10.257 554 HB3 ALA 67 2HB ALA 67 -5.335 -6.195 10.405 555 H LYS 68 H LYS 68 -6.773 -6.315 8.536 556 HA LYS 68 HA LYS 68 -5.369 -6.305 6.069 557 HB2 LYS 68 2HB LYS 68 -7.853 -7.829 6.961 558 HB3 LYS 68 3HB LYS 68 -7.000 -8.142 5.457 559 HG2 LYS 68 2HG LYS 68 -5.830 -8.472 8.241 560 HG3 LYS 68 3HG LYS 68 -6.436 -9.777 7.225 561 HD2 LYS 68 2HD LYS 68 -4.040 -7.997 6.639 562 HD3 LYS 68 3HD LYS 68 -3.996 -9.689 7.140 563 HE2 LYS 68 2HE LYS 68 -5.107 -8.623 4.522 564 HE3 LYS 68 3HE LYS 68 -3.604 -9.511 4.735 565 HZ1 LYS 68 3HZ LYS 68 -6.322 -10.601 5.251 566 HZ2 LYS 68 1HZ LYS 68 -4.868 -11.449 5.408 567 HZ3 LYS 68 2HZ LYS 68 -5.376 -10.915 3.887 568 H SER 69 H SER 69 -8.342 -4.786 7.106 569 HA SER 69 HA SER 69 -9.627 -4.432 4.609 570 HB2 SER 69 2HB SER 69 -10.792 -4.081 6.771 571 HB3 SER 69 3HB SER 69 -9.771 -2.685 7.112 572 HG SER 69 HG SER 69 -11.408 -1.711 6.189 573 H ILE 70 H ILE 70 -7.443 -2.381 6.497 574 HA ILE 70 HA ILE 70 -7.289 -0.166 4.772 575 HB ILE 70 HB ILE 70 -5.275 -1.242 6.801 576 HG12 ILE 70 2HG1 ILE 70 -7.297 1.025 7.133 577 HG13 ILE 70 3HG1 ILE 70 -7.638 -0.633 7.605 578 HG21 ILE 70 1HG2 ILE 70 -4.307 1.040 6.842 579 HG22 ILE 70 2HG2 ILE 70 -5.379 1.512 5.521 580 HG23 ILE 70 3HG2 ILE 70 -4.137 0.288 5.250 581 HD11 ILE 70 3HD1 ILE 70 -5.842 -0.559 9.229 582 HD12 ILE 70 1HD1 ILE 70 -7.008 0.732 9.497 583 HD13 ILE 70 2HD1 ILE 70 -5.452 1.096 8.748 584 H ILE 71 H ILE 71 -5.261 -3.084 5.051 585 HA ILE 71 HA ILE 71 -3.387 -2.540 3.023 586 HB ILE 71 HB ILE 71 -4.407 -5.276 3.937 587 HG12 ILE 71 2HG1 ILE 71 -2.012 -3.688 4.971 588 HG13 ILE 71 3HG1 ILE 71 -3.545 -3.851 5.814 589 HG21 ILE 71 1HG2 ILE 71 -2.238 -6.171 3.140 590 HG22 ILE 71 2HG2 ILE 71 -1.797 -4.575 2.534 591 HG23 ILE 71 3HG2 ILE 71 -3.153 -5.444 1.814 592 HD11 ILE 71 3HD1 ILE 71 -3.184 -6.248 6.030 593 HD12 ILE 71 1HD1 ILE 71 -1.862 -5.321 6.738 594 HD13 ILE 71 2HD1 ILE 71 -1.645 -6.103 5.172 595 H LYS 72 H LYS 72 -6.634 -4.026 2.907 596 HA LYS 72 HA LYS 72 -6.524 -4.997 0.247 597 HB2 LYS 72 2HB LYS 72 -8.183 -5.493 2.287 598 HB3 LYS 72 3HB LYS 72 -9.153 -4.226 1.561 599 HG2 LYS 72 2HG LYS 72 -8.259 -6.725 0.091 600 HG3 LYS 72 3HG LYS 72 -9.783 -6.600 0.963 601 HD2 LYS 72 2HD LYS 72 -10.463 -4.748 -0.568 602 HD3 LYS 72 3HD LYS 72 -8.956 -4.964 -1.465 603 HE2 LYS 72 2HE LYS 72 -9.612 -7.229 -2.094 604 HE3 LYS 72 3HE LYS 72 -11.063 -7.128 -1.097 605 HZ1 LYS 72 3HZ LYS 72 -11.789 -5.272 -2.559 606 HZ2 LYS 72 1HZ LYS 72 -11.663 -6.762 -3.348 607 HZ3 LYS 72 2HZ LYS 72 -10.468 -5.596 -3.557 608 H LEU 73 H LEU 73 -7.921 -2.009 1.654 609 HA LEU 73 HA LEU 73 -8.874 -0.822 -0.709 610 HB2 LEU 73 2HB LEU 73 -8.144 0.236 2.016 611 HB3 LEU 73 3HB LEU 73 -8.379 1.398 0.728 612 HG LEU 73 HG LEU 73 -10.715 0.537 0.405 613 HD11 LEU 73 1HD1 LEU 73 -11.766 -0.880 2.096 614 HD12 LEU 73 2HD1 LEU 73 -10.205 -1.099 2.895 615 HD13 LEU 73 3HD1 LEU 73 -10.460 -1.731 1.268 616 HD21 LEU 73 3HD2 LEU 73 -10.287 2.526 1.772 617 HD22 LEU 73 1HD2 LEU 73 -10.088 1.517 3.207 618 HD23 LEU 73 2HD2 LEU 73 -11.658 1.615 2.403 619 H ILE 74 H ILE 74 -5.694 -0.639 0.864 620 HA ILE 74 HA ILE 74 -4.424 1.181 -0.870 621 HB ILE 74 HB ILE 74 -3.358 -1.056 0.906 622 HG12 ILE 74 2HG1 ILE 74 -3.191 1.982 1.184 623 HG13 ILE 74 3HG1 ILE 74 -4.361 0.961 2.011 624 HG21 ILE 74 1HG2 ILE 74 -1.065 -0.175 0.609 625 HG22 ILE 74 2HG2 ILE 74 -1.654 0.913 -0.648 626 HG23 ILE 74 3HG2 ILE 74 -1.715 -0.832 -0.897 627 HD11 ILE 74 3HD1 ILE 74 -2.609 1.564 3.521 628 HD12 ILE 74 1HD1 ILE 74 -1.372 0.972 2.411 629 HD13 ILE 74 2HD1 ILE 74 -2.489 -0.160 3.178 630 H GLU 75 H GLU 75 -4.617 -2.400 -0.970 631 HA GLU 75 HA GLU 75 -2.935 -2.818 -3.187 632 HB2 GLU 75 2HB GLU 75 -5.128 -4.499 -1.929 633 HB3 GLU 75 3HB GLU 75 -4.190 -5.082 -3.296 634 HG2 GLU 75 2HG GLU 75 -2.864 -4.171 -0.734 635 HG3 GLU 75 3HG GLU 75 -3.477 -5.811 -0.945 636 H GLU 76 H GLU 76 -6.462 -2.350 -3.008 637 HA GLU 76 HA GLU 76 -7.124 -2.762 -5.698 638 HB2 GLU 76 2HB GLU 76 -8.358 -0.846 -3.668 639 HB3 GLU 76 3HB GLU 76 -9.091 -1.235 -5.219 640 HG2 GLU 76 2HG GLU 76 -8.610 -3.116 -2.904 641 HG3 GLU 76 3HG GLU 76 -10.161 -2.482 -3.445 642 H ARG 77 H ARG 77 -6.208 0.221 -4.015 643 HA ARG 77 HA ARG 77 -6.662 1.931 -6.262 644 HB2 ARG 77 2HB ARG 77 -5.355 2.424 -3.560 645 HB3 ARG 77 3HB ARG 77 -5.746 3.689 -4.712 646 HG2 ARG 77 2HG ARG 77 -7.826 1.871 -3.465 647 HG3 ARG 77 3HG ARG 77 -7.344 3.421 -2.783 648 HD2 ARG 77 2HD ARG 77 -8.021 4.457 -5.031 649 HD3 ARG 77 3HD ARG 77 -8.782 2.901 -5.394 650 HE ARG 77 HE ARG 77 -10.033 3.274 -3.210 651 HH11 ARG 77 1HH1 ARG 77 -9.043 5.981 -5.238 652 HH12 ARG 77 2HH1 ARG 77 -10.317 7.014 -4.669 653 HH21 ARG 77 1HH2 ARG 77 -11.660 4.648 -2.458 654 HH22 ARG 77 2HH2 ARG 77 -11.799 6.259 -3.092 655 H ILE 78 H ILE 78 -3.640 0.903 -4.524 656 HA ILE 78 HA ILE 78 -1.834 2.403 -6.067 657 HB ILE 78 HB ILE 78 0.015 1.023 -5.204 658 HG12 ILE 78 2HG1 ILE 78 -2.098 -0.852 -4.031 659 HG13 ILE 78 3HG1 ILE 78 -1.050 -1.233 -5.385 660 HG21 ILE 78 1HG2 ILE 78 -0.908 2.745 -3.715 661 HG22 ILE 78 2HG2 ILE 78 -0.299 1.375 -2.785 662 HG23 ILE 78 3HG2 ILE 78 -2.037 1.569 -3.033 663 HD11 ILE 78 3HD1 ILE 78 -0.268 -2.307 -3.378 664 HD12 ILE 78 1HD1 ILE 78 -0.168 -0.761 -2.535 665 HD13 ILE 78 2HD1 ILE 78 0.902 -1.097 -3.899 666 H GLU 79 H GLU 79 -3.071 -0.905 -6.451 667 HA GLU 79 HA GLU 79 -1.506 -1.708 -8.638 668 HB2 GLU 79 2HB GLU 79 -2.957 -3.272 -7.332 669 HB3 GLU 79 3HB GLU 79 -4.385 -2.515 -8.032 670 HG2 GLU 79 2HG GLU 79 -3.559 -3.212 -10.314 671 HG3 GLU 79 3HG GLU 79 -2.250 -4.089 -9.525 672 H GLU 80 H GLU 80 -4.788 -0.253 -8.534 673 HA GLU 80 HA GLU 80 -5.426 -0.243 -11.233 674 HB2 GLU 80 2HB GLU 80 -6.984 0.323 -9.371 675 HB3 GLU 80 3HB GLU 80 -6.151 1.857 -9.142 676 HG2 GLU 80 2HG GLU 80 -6.818 2.482 -11.500 677 HG3 GLU 80 3HG GLU 80 -7.795 1.017 -11.559 678 H GLU 81 H GLU 81 -3.846 2.348 -9.394 679 HA GLU 81 HA GLU 81 -3.733 4.219 -11.530 680 HB2 GLU 81 2HB GLU 81 -2.283 4.153 -8.857 681 HB3 GLU 81 3HB GLU 81 -2.366 5.550 -9.922 682 HG2 GLU 81 2HG GLU 81 -4.787 4.226 -8.659 683 HG3 GLU 81 3HG GLU 81 -3.957 5.621 -7.986 684 H LEU 82 H LEU 82 -1.276 2.096 -10.009 685 HA LEU 82 HA LEU 82 0.920 3.056 -11.603 686 HB2 LEU 82 2HB LEU 82 0.714 1.684 -9.228 687 HB3 LEU 82 3HB LEU 82 1.148 0.370 -10.296 688 HG LEU 82 HG LEU 82 2.779 2.878 -9.733 689 HD11 LEU 82 1HD1 LEU 82 2.815 1.265 -7.917 690 HD12 LEU 82 2HD1 LEU 82 4.383 1.339 -8.710 691 HD13 LEU 82 3HD1 LEU 82 3.301 -0.021 -9.026 692 HD21 LEU 82 3HD2 LEU 82 4.569 1.902 -11.122 693 HD22 LEU 82 1HD2 LEU 82 3.131 2.269 -12.073 694 HD23 LEU 82 2HD2 LEU 82 3.482 0.601 -11.616 695 H ARG 83 H ARG 83 -1.454 0.550 -11.935 696 HA ARG 83 HA ARG 83 -0.124 -1.000 -13.972 697 HB2 ARG 83 2HB ARG 83 -1.818 -1.886 -12.302 698 HB3 ARG 83 3HB ARG 83 -3.069 -1.022 -13.184 699 HG2 ARG 83 2HG ARG 83 -2.605 -2.427 -15.175 700 HG3 ARG 83 3HG ARG 83 -1.358 -3.285 -14.263 701 HD2 ARG 83 2HD ARG 83 -3.079 -4.017 -12.622 702 HD3 ARG 83 3HD ARG 83 -4.318 -3.190 -13.573 703 HE ARG 83 HE ARG 83 -3.145 -4.890 -15.351 704 HH11 ARG 83 1HH1 ARG 83 -4.708 -5.380 -12.218 705 HH12 ARG 83 2HH1 ARG 83 -5.244 -6.981 -12.614 706 HH21 ARG 83 1HH2 ARG 83 -3.828 -7.007 -15.819 707 HH22 ARG 83 2HH2 ARG 83 -4.747 -7.904 -14.650 708 H LYS 84 H LYS 84 -2.188 1.804 -13.856 709 HA LYS 84 HA LYS 84 -2.589 1.895 -16.747 710 HB2 LYS 84 2HB LYS 84 -3.338 3.826 -14.521 711 HB3 LYS 84 3HB LYS 84 -3.642 4.150 -16.228 712 HG2 LYS 84 2HG LYS 84 -5.042 2.092 -16.345 713 HG3 LYS 84 3HG LYS 84 -4.791 1.841 -14.620 714 HD2 LYS 84 2HD LYS 84 -6.103 4.329 -15.778 715 HD3 LYS 84 3HD LYS 84 -7.003 2.903 -15.277 716 HE2 LYS 84 2HE LYS 84 -7.143 4.469 -13.485 717 HE3 LYS 84 3HE LYS 84 -6.025 3.216 -12.957 718 HZ1 LYS 84 3HZ LYS 84 -5.241 5.872 -14.043 719 HZ2 LYS 84 1HZ LYS 84 -4.186 4.689 -13.440 720 HZ3 LYS 84 2HZ LYS 84 -5.280 5.458 -12.404 721 H ARG 85 H ARG 85 -0.200 3.042 -14.450 722 HA ARG 85 HA ARG 85 1.155 4.788 -16.344 723 HB2 ARG 85 2HB ARG 85 1.665 5.250 -14.046 724 HB3 ARG 85 3HB ARG 85 1.910 3.555 -13.663 725 HG2 ARG 85 2HG ARG 85 4.037 4.790 -13.584 726 HG3 ARG 85 3HG ARG 85 4.071 3.572 -14.857 727 HD2 ARG 85 2HD ARG 85 3.471 5.506 -16.473 728 HD3 ARG 85 3HD ARG 85 3.884 6.587 -15.139 729 HE ARG 85 HE ARG 85 6.146 5.800 -15.231 730 HH11 ARG 85 1HH1 ARG 85 4.187 4.576 -17.901 731 HH12 ARG 85 2HH1 ARG 85 5.572 4.172 -18.870 732 HH21 ARG 85 1HH2 ARG 85 7.919 5.251 -16.523 733 HH22 ARG 85 2HH2 ARG 85 7.679 4.553 -18.088 734 H ASP 86 H ASP 86 1.112 1.381 -15.525 735 HA ASP 86 HA ASP 86 2.825 0.629 -17.755 736 HB2 ASP 86 2HB ASP 86 4.557 1.098 -16.138 737 HB3 ASP 86 3HB ASP 86 3.674 0.280 -14.855 738 HA PRO 87 HA PRO 87 -0.396 -2.582 -17.255 739 HB2 PRO 87 2HB PRO 87 0.812 -3.782 -19.713 740 HB3 PRO 87 3HB PRO 87 -0.837 -3.183 -19.442 741 HG2 PRO 87 2HG PRO 87 0.880 -1.844 -21.010 742 HG3 PRO 87 3HG PRO 87 -0.296 -0.993 -19.981 743 HD2 PRO 87 2HD PRO 87 2.648 -1.460 -19.488 744 HD3 PRO 87 3HD PRO 87 1.685 0.020 -19.257 745 H ASN 88 H ASN 88 3.001 -2.972 -17.172 746 HA ASN 88 HA ASN 88 2.885 -5.850 -16.542 747 HB2 ASN 88 2HB ASN 88 5.316 -4.071 -17.006 748 HB3 ASN 88 3HB ASN 88 5.329 -5.825 -16.836 749 HD21 ASN 88 1HD2 ASN 88 2.903 -6.167 -18.542 750 HD22 ASN 88 2HD2 ASN 88 3.440 -5.879 -20.159 751 H ALA 89 H ALA 89 2.451 -3.084 -14.876 752 HA ALA 89 HA ALA 89 4.208 -3.336 -12.646 753 HB1 ALA 89 3HB ALA 89 2.736 -1.688 -11.546 754 HB2 ALA 89 1HB ALA 89 1.538 -1.895 -12.828 755 HB3 ALA 89 2HB ALA 89 3.116 -1.200 -13.199 756 H THR 90 H THR 90 4.205 -5.068 -11.344 757 HA THR 90 HA THR 90 1.665 -6.398 -10.618 758 HB THR 90 HB THR 90 4.363 -7.765 -11.048 759 HG1 THR 90 HG1 THR 90 3.312 -6.983 -13.000 760 HG21 THR 90 3HG2 THR 90 3.085 -9.861 -10.897 761 HG22 THR 90 1HG2 THR 90 1.596 -8.959 -10.611 762 HG23 THR 90 2HG2 THR 90 2.891 -8.932 -9.410 763 H ILE 91 H ILE 91 1.429 -6.958 -8.513 764 HA ILE 91 HA ILE 91 3.399 -5.956 -6.552 765 HB ILE 91 HB ILE 91 1.519 -5.613 -4.969 766 HG12 ILE 91 2HG1 ILE 91 -0.081 -7.319 -6.034 767 HG13 ILE 91 3HG1 ILE 91 -0.804 -5.817 -5.494 768 HG21 ILE 91 1HG2 ILE 91 2.260 -3.710 -6.298 769 HG22 ILE 91 2HG2 ILE 91 0.523 -3.603 -6.021 770 HG23 ILE 91 3HG2 ILE 91 1.137 -4.127 -7.592 771 HD11 ILE 91 3HD1 ILE 91 -0.896 -5.033 -7.818 772 HD12 ILE 91 1HD1 ILE 91 -1.759 -6.549 -7.583 773 HD13 ILE 91 2HD1 ILE 91 -0.180 -6.552 -8.353 774 H THR 92 H THR 92 4.086 -7.359 -4.962 775 HA THR 92 HA THR 92 2.942 -10.102 -4.899 776 HB THR 92 HB THR 92 5.850 -9.263 -4.418 777 HG1 THR 92 HG1 THR 92 4.501 -10.364 -6.665 778 HG21 THR 92 3HG2 THR 92 6.345 -11.683 -4.478 779 HG22 THR 92 1HG2 THR 92 4.624 -12.045 -4.617 780 HG23 THR 92 2HG2 THR 92 5.256 -11.299 -3.144 781 H ARG 93 H ARG 93 1.732 -10.195 -3.076 782 HA ARG 93 HA ARG 93 2.458 -8.682 -0.668 783 HB2 ARG 93 2HB ARG 93 0.150 -8.546 -1.561 784 HB3 ARG 93 3HB ARG 93 -0.054 -10.281 -1.345 785 HG2 ARG 93 2HG ARG 93 0.081 -10.033 1.085 786 HG3 ARG 93 3HG ARG 93 0.457 -8.317 0.915 787 HD2 ARG 93 2HD ARG 93 -1.906 -8.707 1.568 788 HD3 ARG 93 3HD ARG 93 -1.761 -7.865 0.024 789 HE ARG 93 HE ARG 93 -2.390 -10.760 0.284 790 HH11 ARG 93 1HH1 ARG 93 -2.814 -7.664 -1.376 791 HH12 ARG 93 2HH1 ARG 93 -3.970 -8.304 -2.509 792 HH21 ARG 93 1HH2 ARG 93 -3.916 -11.580 -1.219 793 HH22 ARG 93 2HH2 ARG 93 -4.590 -10.518 -2.418 794 H THR 94 H THR 94 3.904 -9.698 0.559 795 HA THR 94 HA THR 94 3.714 -12.599 1.162 796 HB THR 94 HB THR 94 6.218 -10.868 0.840 797 HG1 THR 94 HG1 THR 94 4.785 -12.452 -0.905 798 HG21 THR 94 3HG2 THR 94 6.598 -12.597 2.555 799 HG22 THR 94 1HG2 THR 94 7.499 -12.972 1.084 800 HG23 THR 94 2HG2 THR 94 6.007 -13.840 1.449 801 H VAL 95 H VAL 95 3.051 -12.800 3.255 802 HA VAL 95 HA VAL 95 3.044 -10.520 5.009 803 HB VAL 95 HB VAL 95 1.107 -12.052 4.882 804 HG11 VAL 95 1HG1 VAL 95 2.826 -14.122 6.271 805 HG12 VAL 95 2HG1 VAL 95 2.251 -14.199 4.605 806 HG13 VAL 95 3HG1 VAL 95 1.096 -14.260 5.940 807 HG21 VAL 95 3HG2 VAL 95 0.620 -12.204 7.310 808 HG22 VAL 95 1HG2 VAL 95 1.345 -10.654 6.871 809 HG23 VAL 95 2HG2 VAL 95 2.323 -11.893 7.661 810 H ARG 96 H ARG 96 4.218 -10.155 6.843 811 HA ARG 96 HA ARG 96 6.499 -11.922 7.507 812 HB2 ARG 96 2HB ARG 96 7.073 -10.213 5.677 813 HB3 ARG 96 3HB ARG 96 6.774 -8.946 6.856 814 HG2 ARG 96 2HG ARG 96 9.147 -9.282 6.683 815 HG3 ARG 96 3HG ARG 96 8.628 -9.876 8.258 816 HD2 ARG 96 2HD ARG 96 8.784 -12.186 7.485 817 HD3 ARG 96 3HD ARG 96 9.134 -11.651 5.839 818 HE ARG 96 HE ARG 96 10.945 -11.123 8.137 819 HH11 ARG 96 1HH1 ARG 96 10.514 -12.113 4.771 820 HH12 ARG 96 2HH1 ARG 96 12.217 -12.270 4.473 821 HH21 ARG 96 1HH2 ARG 96 13.179 -11.303 7.711 822 HH22 ARG 96 2HH2 ARG 96 13.728 -11.809 6.143 823 H THR 97 H THR 97 3.949 -11.155 8.853 824 HA THR 97 HA THR 97 4.549 -9.221 10.916 825 HB THR 97 HB THR 97 2.269 -9.457 9.871 826 HG1 THR 97 HG1 THR 97 2.499 -9.700 12.706 827 HG21 THR 97 3HG2 THR 97 2.031 -11.968 11.575 828 HG22 THR 97 1HG2 THR 97 2.103 -11.933 9.810 829 HG23 THR 97 2HG2 THR 97 0.735 -11.206 10.652 830 H GLU 98 H GLU 98 5.254 -12.502 10.588 831 HA GLU 98 HA GLU 98 4.600 -13.524 13.133 832 HB2 GLU 98 2HB GLU 98 5.042 -14.945 11.164 833 HB3 GLU 98 3HB GLU 98 6.738 -14.478 11.199 834 HG2 GLU 98 2HG GLU 98 6.380 -16.721 12.163 835 HG3 GLU 98 3HG GLU 98 7.050 -15.604 13.347 836 H VAL 99 H VAL 99 5.260 -12.478 14.858 837 HA VAL 99 HA VAL 99 7.923 -12.737 15.821 838 HB VAL 99 HB VAL 99 8.376 -10.697 14.580 839 HG11 VAL 99 1HG1 VAL 99 6.094 -9.864 14.266 840 HG12 VAL 99 2HG1 VAL 99 7.153 -8.589 14.869 841 HG13 VAL 99 3HG1 VAL 99 6.019 -9.384 15.963 842 HG21 VAL 99 3HG2 VAL 99 9.088 -9.150 16.380 843 HG22 VAL 99 1HG2 VAL 99 9.465 -10.829 16.772 844 HG23 VAL 99 2HG2 VAL 99 8.086 -10.030 17.534 845 H GLY 100 H GLY 100 7.660 -13.279 17.890 846 HA2 GLY 100 2HA GLY 100 6.625 -12.322 20.059 847 HA3 GLY 100 3HA GLY 100 5.098 -12.657 19.253 848 H SER 101 H SER 101 7.914 -14.055 20.775 849 HA SER 101 HA SER 101 6.643 -16.736 20.790 850 HB2 SER 101 2HB SER 101 9.579 -15.982 21.188 851 HB3 SER 101 3HB SER 101 8.921 -17.621 21.160 852 HG SER 101 HG SER 101 8.397 -15.973 18.962 853 H SER 102 H SER 102 5.608 -17.083 22.688 854 HA SER 102 HA SER 102 6.181 -15.512 25.054 855 HB2 SER 102 2HB SER 102 4.173 -16.771 25.995 856 HB3 SER 102 3HB SER 102 3.846 -15.845 24.528 857 HG SER 102 HG SER 102 2.940 -17.931 24.416 858 H TRP 103 H TRP 103 8.362 -16.331 25.368 859 HA TRP 103 HA TRP 103 8.897 -18.980 26.254 860 HB2 TRP 103 2HB TRP 103 10.745 -17.612 25.501 861 HB3 TRP 103 3HB TRP 103 10.396 -16.362 26.686 862 HD1 TRP 103 HD1 TRP 103 10.716 -20.132 27.595 863 HE1 TRP 103 HE1 TRP 103 12.700 -20.414 29.196 864 HE3 TRP 103 HE3 TRP 103 12.579 -15.360 27.449 865 HZ2 TRP 103 HZ2 TRP 103 14.790 -18.860 30.231 866 HZ3 TRP 103 HZ3 TRP 103 14.595 -14.848 28.771 867 HH2 TRP 103 HH2 TRP 103 15.679 -16.567 30.136 868 H SER 104 H SER 104 8.427 -19.910 28.096 869 HA SER 104 HA SER 104 7.097 -18.411 30.234 870 HB2 SER 104 2HB SER 104 7.303 -21.420 29.771 871 HB3 SER 104 3HB SER 104 6.275 -20.607 30.954 872 HG SER 104 HG SER 104 6.048 -19.862 28.259 873 H LEU 105 H LEU 105 8.541 -17.592 31.630 874 HA LEU 105 HA LEU 105 10.802 -19.147 32.655 875 HB2 LEU 105 2HB LEU 105 9.921 -16.318 33.381 876 HB3 LEU 105 3HB LEU 105 11.392 -17.111 33.917 877 HG LEU 105 HG LEU 105 11.931 -17.276 31.318 878 HD11 LEU 105 1HD1 LEU 105 10.013 -14.934 31.325 879 HD12 LEU 105 2HD1 LEU 105 9.781 -16.474 30.493 880 HD13 LEU 105 3HD1 LEU 105 11.084 -15.396 29.997 881 HD21 LEU 105 3HD2 LEU 105 13.129 -15.151 31.412 882 HD22 LEU 105 1HD2 LEU 105 13.280 -16.039 32.928 883 HD23 LEU 105 2HD2 LEU 105 12.179 -14.664 32.819 884 H GLU 106 H GLU 106 11.110 -19.077 35.112 885 HA GLU 106 HA GLU 106 8.620 -19.198 36.668 886 HB2 GLU 106 2HB GLU 106 9.031 -21.509 35.815 887 HB3 GLU 106 3HB GLU 106 10.625 -21.500 36.564 888 HG2 GLU 106 2HG GLU 106 9.555 -21.270 38.803 889 HG3 GLU 106 3HG GLU 106 7.967 -21.318 38.036 890 H HIS 107 H HIS 107 9.085 -17.650 38.094 891 HA HIS 107 HA HIS 107 11.670 -17.382 39.396 892 HB2 HIS 107 2HB HIS 107 9.015 -15.916 39.714 893 HB3 HIS 107 3HB HIS 107 10.411 -15.580 40.733 894 HD1 HIS 107 HD1 HIS 107 11.941 -13.807 39.889 895 HD2 HIS 107 HD2 HIS 107 9.620 -15.403 36.835 896 HE1 HIS 107 HE1 HIS 107 12.475 -12.447 37.851 897 HE2 HIS 107 HE2 HIS 107 10.844 -13.250 36.117 898 H HIS 108 H HIS 108 11.691 -19.569 40.178 899 HA HIS 108 HA HIS 108 9.744 -20.321 42.242 900 HB2 HIS 108 2HB HIS 108 10.672 -22.589 42.070 901 HB3 HIS 108 3HB HIS 108 10.161 -21.987 40.505 902 HD1 HIS 108 HD1 HIS 108 12.744 -23.924 41.893 903 HD2 HIS 108 HD2 HIS 108 12.682 -20.877 39.071 904 HE1 HIS 108 HE1 HIS 108 14.823 -24.222 40.522 905 HE2 HIS 108 HE2 HIS 108 14.634 -22.516 38.697 906 H HIS 109 H HIS 109 10.192 -20.485 44.328 907 HA HIS 109 HA HIS 109 12.987 -20.345 45.306 908 HB2 HIS 109 2HB HIS 109 10.564 -19.016 46.612 909 HB3 HIS 109 3HB HIS 109 12.208 -19.012 47.243 910 HD1 HIS 109 HD1 HIS 109 9.955 -16.938 45.433 911 HD2 HIS 109 HD2 HIS 109 14.040 -17.663 45.210 912 HE1 HIS 109 HE1 HIS 109 10.923 -14.980 44.202 913 HE2 HIS 109 HE2 HIS 109 13.367 -15.495 43.987 914 H HIS 110 H HIS 110 13.028 -22.599 45.475 915 HA HIS 110 HA HIS 110 11.505 -23.715 47.746 916 HB2 HIS 110 2HB HIS 110 10.370 -24.490 45.684 917 HB3 HIS 110 3HB HIS 110 11.893 -25.119 45.065 918 HD1 HIS 110 HD1 HIS 110 12.103 -27.580 45.384 919 HD2 HIS 110 HD2 HIS 110 9.740 -25.859 48.341 920 HE1 HIS 110 HE1 HIS 110 11.344 -29.479 46.834 921 HE2 HIS 110 HE2 HIS 110 9.762 -28.438 48.484 922 H HIS 111 H HIS 111 13.345 -23.331 48.926 923 HA HIS 111 HA HIS 111 15.336 -25.476 48.894 924 HB2 HIS 111 2HB HIS 111 16.018 -22.506 48.827 925 HB3 HIS 111 3HB HIS 111 17.117 -23.666 49.551 926 HD1 HIS 111 HD1 HIS 111 18.329 -25.322 47.933 927 HD2 HIS 111 HD2 HIS 111 16.039 -22.432 46.022 928 HE1 HIS 111 HE1 HIS 111 19.084 -25.329 45.541 929 HE2 HIS 111 HE2 HIS 111 17.853 -23.418 44.478 930 H HIS 112 H HIS 112 16.702 -25.134 51.113 931 HA HIS 112 HA HIS 112 14.710 -24.677 53.240 932 HB2 HIS 112 2HB HIS 112 16.391 -25.798 54.753 933 HB3 HIS 112 3HB HIS 112 15.747 -26.810 53.472 934 HD1 HIS 112 HD1 HIS 112 17.407 -27.505 51.559 935 HD2 HIS 112 HD2 HIS 112 19.183 -25.461 54.716 936 HE1 HIS 112 HE1 HIS 112 19.872 -27.899 51.329 937 HE2 HIS 112 HE2 HIS 112 20.882 -26.861 53.376 Start of MODEL 20 1 H1 MET 1 1H MET 1 -5.689 -3.615 21.129 2 H2 MET 1 2H MET 1 -4.075 -3.777 21.596 3 H3 MET 1 3H MET 1 -4.838 -5.028 20.761 4 HA MET 1 HA MET 1 -5.075 -3.675 18.825 5 HB2 MET 1 2HB MET 1 -5.250 -1.476 19.892 6 HB3 MET 1 3HB MET 1 -3.603 -1.588 20.498 7 HG2 MET 1 2HG MET 1 -2.743 -1.492 18.195 8 HG3 MET 1 3HG MET 1 -4.393 -1.418 17.582 9 HE1 MET 1 3HE MET 1 -5.936 0.573 19.400 10 HE2 MET 1 1HE MET 1 -5.918 0.695 17.636 11 HE3 MET 1 2HE MET 1 -5.584 2.115 18.626 12 H LEU 2 H LEU 2 -3.749 -4.589 17.399 13 HA LEU 2 HA LEU 2 -0.890 -5.012 18.026 14 HB2 LEU 2 2HB LEU 2 -1.093 -7.195 16.728 15 HB3 LEU 2 3HB LEU 2 -1.867 -7.152 18.296 16 HG LEU 2 HG LEU 2 -4.099 -6.766 17.076 17 HD11 LEU 2 1HD1 LEU 2 -3.250 -6.062 14.883 18 HD12 LEU 2 2HD1 LEU 2 -4.316 -7.456 14.756 19 HD13 LEU 2 3HD1 LEU 2 -2.567 -7.669 14.624 20 HD21 LEU 2 3HD2 LEU 2 -2.687 -9.408 16.598 21 HD22 LEU 2 1HD2 LEU 2 -4.435 -9.148 16.572 22 HD23 LEU 2 2HD2 LEU 2 -3.533 -8.926 18.068 23 H THR 3 H THR 3 0.525 -5.125 16.166 24 HA THR 3 HA THR 3 -0.443 -3.666 13.801 25 HB THR 3 HB THR 3 1.981 -3.562 13.151 26 HG1 THR 3 HG1 THR 3 3.018 -5.192 14.101 27 HG21 THR 3 3HG2 THR 3 1.400 -2.520 15.941 28 HG22 THR 3 1HG2 THR 3 1.048 -1.694 14.420 29 HG23 THR 3 2HG2 THR 3 2.719 -1.978 14.901 30 H VAL 4 H VAL 4 -0.317 -4.547 11.730 31 HA VAL 4 HA VAL 4 0.671 -7.324 11.427 32 HB VAL 4 HB VAL 4 -1.799 -7.372 11.263 33 HG11 VAL 4 1HG1 VAL 4 -1.557 -5.428 8.951 34 HG12 VAL 4 2HG1 VAL 4 -2.240 -5.074 10.536 35 HG13 VAL 4 3HG1 VAL 4 -3.038 -6.236 9.476 36 HG21 VAL 4 3HG2 VAL 4 -2.018 -8.498 9.064 37 HG22 VAL 4 1HG2 VAL 4 -0.534 -8.969 9.893 38 HG23 VAL 4 2HG2 VAL 4 -0.469 -7.814 8.561 39 H GLU 5 H GLU 5 2.386 -7.318 10.135 40 HA GLU 5 HA GLU 5 2.875 -5.161 8.217 41 HB2 GLU 5 2HB GLU 5 4.686 -7.489 9.024 42 HB3 GLU 5 3HB GLU 5 5.127 -6.149 7.969 43 HG2 GLU 5 2HG GLU 5 6.118 -5.637 10.043 44 HG3 GLU 5 3HG GLU 5 4.697 -4.602 9.955 45 H VAL 6 H VAL 6 2.839 -5.485 6.099 46 HA VAL 6 HA VAL 6 2.879 -8.168 4.925 47 HB VAL 6 HB VAL 6 0.484 -7.620 4.921 48 HG11 VAL 6 1HG1 VAL 6 1.172 -5.021 3.518 49 HG12 VAL 6 2HG1 VAL 6 0.604 -5.184 5.180 50 HG13 VAL 6 3HG1 VAL 6 -0.457 -5.625 3.841 51 HG21 VAL 6 3HG2 VAL 6 1.338 -8.775 2.923 52 HG22 VAL 6 1HG2 VAL 6 1.653 -7.227 2.137 53 HG23 VAL 6 2HG2 VAL 6 -0.006 -7.717 2.491 54 H GLU 7 H GLU 7 4.496 -8.185 3.523 55 HA GLU 7 HA GLU 7 5.771 -5.683 2.687 56 HB2 GLU 7 2HB GLU 7 7.074 -7.513 3.824 57 HB3 GLU 7 3HB GLU 7 6.752 -8.563 2.448 58 HG2 GLU 7 2HG GLU 7 8.001 -7.067 0.977 59 HG3 GLU 7 3HG GLU 7 8.263 -5.929 2.302 60 H VAL 8 H VAL 8 4.807 -4.937 0.931 61 HA VAL 8 HA VAL 8 4.028 -6.659 -1.312 62 HB VAL 8 HB VAL 8 3.604 -3.638 -0.937 63 HG11 VAL 8 1HG1 VAL 8 2.322 -5.585 -2.893 64 HG12 VAL 8 2HG1 VAL 8 3.536 -4.369 -3.291 65 HG13 VAL 8 3HG1 VAL 8 1.938 -3.866 -2.744 66 HG21 VAL 8 3HG2 VAL 8 1.272 -4.177 -0.296 67 HG22 VAL 8 1HG2 VAL 8 2.424 -4.890 0.838 68 HG23 VAL 8 2HG2 VAL 8 1.640 -5.902 -0.376 69 H LYS 9 H LYS 9 5.782 -7.139 -2.489 70 HA LYS 9 HA LYS 9 7.980 -5.274 -2.944 71 HB2 LYS 9 2HB LYS 9 8.312 -7.719 -2.400 72 HB3 LYS 9 3HB LYS 9 7.559 -8.136 -3.935 73 HG2 LYS 9 2HG LYS 9 9.400 -6.894 -5.110 74 HG3 LYS 9 3HG LYS 9 10.172 -6.627 -3.546 75 HD2 LYS 9 2HD LYS 9 9.608 -9.332 -4.822 76 HD3 LYS 9 3HD LYS 9 11.182 -8.548 -4.719 77 HE2 LYS 9 2HE LYS 9 11.240 -8.800 -2.324 78 HE3 LYS 9 3HE LYS 9 9.553 -9.318 -2.275 79 HZ1 LYS 9 3HZ LYS 9 11.013 -11.208 -2.063 80 HZ2 LYS 9 1HZ LYS 9 11.811 -10.809 -3.499 81 HZ3 LYS 9 2HZ LYS 9 10.201 -11.299 -3.546 82 H ILE 10 H ILE 10 7.535 -3.779 -4.457 83 HA ILE 10 HA ILE 10 5.613 -4.288 -6.620 84 HB ILE 10 HB ILE 10 6.823 -1.667 -5.606 85 HG12 ILE 10 2HG1 ILE 10 4.055 -2.878 -5.150 86 HG13 ILE 10 3HG1 ILE 10 5.316 -2.706 -3.940 87 HG21 ILE 10 1HG2 ILE 10 6.222 -1.518 -7.992 88 HG22 ILE 10 2HG2 ILE 10 5.125 -0.543 -7.015 89 HG23 ILE 10 3HG2 ILE 10 4.597 -2.109 -7.634 90 HD11 ILE 10 3HD1 ILE 10 5.126 -0.273 -4.095 91 HD12 ILE 10 1HD1 ILE 10 3.606 -1.046 -3.652 92 HD13 ILE 10 2HD1 ILE 10 3.842 -0.456 -5.295 93 H THR 11 H THR 11 6.645 -5.154 -8.342 94 HA THR 11 HA THR 11 9.082 -3.865 -9.392 95 HB THR 11 HB THR 11 9.410 -6.251 -9.000 96 HG1 THR 11 HG1 THR 11 9.661 -5.066 -11.404 97 HG21 THR 11 3HG2 THR 11 7.087 -7.089 -9.190 98 HG22 THR 11 1HG2 THR 11 8.203 -8.016 -10.200 99 HG23 THR 11 2HG2 THR 11 7.136 -6.816 -10.932 100 H ALA 12 H ALA 12 8.651 -2.376 -10.851 101 HA ALA 12 HA ALA 12 6.499 -2.680 -12.854 102 HB1 ALA 12 3HB ALA 12 6.966 -0.165 -11.206 103 HB2 ALA 12 1HB ALA 12 5.604 -1.271 -11.020 104 HB3 ALA 12 2HB ALA 12 5.792 -0.346 -12.511 105 H ASP 13 H ASP 13 6.843 -0.995 -14.652 106 HA ASP 13 HA ASP 13 9.277 -1.611 -15.885 107 HB2 ASP 13 2HB ASP 13 7.031 -0.998 -16.985 108 HB3 ASP 13 3HB ASP 13 7.445 0.686 -16.710 109 H ASP 14 H ASP 14 8.148 1.475 -14.546 110 HA ASP 14 HA ASP 14 10.961 2.290 -14.084 111 HB2 ASP 14 2HB ASP 14 8.525 3.983 -14.780 112 HB3 ASP 14 3HB ASP 14 9.952 4.679 -14.016 113 H GLU 15 H GLU 15 11.202 1.555 -11.990 114 HA GLU 15 HA GLU 15 9.107 1.464 -10.064 115 HB2 GLU 15 2HB GLU 15 10.595 0.360 -8.666 116 HB3 GLU 15 3HB GLU 15 11.365 0.061 -10.213 117 HG2 GLU 15 2HG GLU 15 12.202 2.283 -8.329 118 HG3 GLU 15 3HG GLU 15 12.892 0.670 -8.284 119 H ASN 16 H ASN 16 11.484 3.866 -10.905 120 HA ASN 16 HA ASN 16 11.406 5.572 -8.674 121 HB2 ASN 16 2HB ASN 16 13.067 5.674 -10.550 122 HB3 ASN 16 3HB ASN 16 11.806 6.292 -11.612 123 HD21 ASN 16 1HD2 ASN 16 12.762 8.246 -12.008 124 HD22 ASN 16 2HD2 ASN 16 13.024 9.458 -10.803 125 H LYS 17 H LYS 17 9.517 5.608 -11.699 126 HA LYS 17 HA LYS 17 7.677 7.648 -11.023 127 HB2 LYS 17 2HB LYS 17 7.295 5.259 -12.891 128 HB3 LYS 17 3HB LYS 17 6.228 6.656 -12.815 129 HG2 LYS 17 2HG LYS 17 9.138 6.684 -13.647 130 HG3 LYS 17 3HG LYS 17 7.741 6.815 -14.720 131 HD2 LYS 17 2HD LYS 17 7.120 8.968 -13.741 132 HD3 LYS 17 3HD LYS 17 8.390 8.824 -12.522 133 HE2 LYS 17 2HE LYS 17 9.064 10.352 -14.327 134 HE3 LYS 17 3HE LYS 17 10.113 8.934 -14.285 135 HZ1 LYS 17 3HZ LYS 17 8.837 8.002 -16.120 136 HZ2 LYS 17 1HZ LYS 17 9.493 9.506 -16.537 137 HZ3 LYS 17 2HZ LYS 17 7.851 9.373 -16.159 138 H ALA 18 H ALA 18 7.594 4.127 -10.630 139 HA ALA 18 HA ALA 18 5.015 3.738 -9.659 140 HB1 ALA 18 3HB ALA 18 5.863 1.599 -8.777 141 HB2 ALA 18 1HB ALA 18 7.528 2.160 -9.003 142 HB3 ALA 18 2HB ALA 18 6.479 1.912 -10.398 143 H GLU 19 H GLU 19 7.979 4.659 -7.980 144 HA GLU 19 HA GLU 19 7.137 4.433 -5.298 145 HB2 GLU 19 2HB GLU 19 9.526 4.747 -6.011 146 HB3 GLU 19 3HB GLU 19 9.151 6.396 -6.501 147 HG2 GLU 19 2HG GLU 19 8.360 6.672 -4.007 148 HG3 GLU 19 3HG GLU 19 9.341 5.245 -3.712 149 H GLU 20 H GLU 20 7.220 7.238 -7.514 150 HA GLU 20 HA GLU 20 6.152 9.183 -5.808 151 HB2 GLU 20 2HB GLU 20 6.104 8.971 -8.845 152 HB3 GLU 20 3HB GLU 20 5.570 10.403 -7.978 153 HG2 GLU 20 2HG GLU 20 8.366 9.239 -7.916 154 HG3 GLU 20 3HG GLU 20 7.850 10.658 -8.828 155 H ILE 21 H ILE 21 4.544 7.053 -8.126 156 HA ILE 21 HA ILE 21 1.914 7.947 -7.958 157 HB ILE 21 HB ILE 21 2.988 5.133 -8.503 158 HG12 ILE 21 2HG1 ILE 21 1.995 7.223 -10.506 159 HG13 ILE 21 3HG1 ILE 21 3.692 6.985 -10.106 160 HG21 ILE 21 1HG2 ILE 21 0.176 6.173 -9.011 161 HG22 ILE 21 2HG2 ILE 21 0.631 4.960 -7.814 162 HG23 ILE 21 3HG2 ILE 21 0.794 4.607 -9.535 163 HD11 ILE 21 3HD1 ILE 21 3.167 5.894 -12.176 164 HD12 ILE 21 1HD1 ILE 21 1.862 4.979 -11.413 165 HD13 ILE 21 2HD1 ILE 21 3.540 4.683 -10.951 166 H VAL 22 H VAL 22 3.515 5.264 -6.213 167 HA VAL 22 HA VAL 22 1.249 4.451 -4.726 168 HB VAL 22 HB VAL 22 4.223 3.818 -4.454 169 HG11 VAL 22 1HG1 VAL 22 3.625 1.949 -2.946 170 HG12 VAL 22 2HG1 VAL 22 1.957 2.521 -2.896 171 HG13 VAL 22 3HG1 VAL 22 3.248 3.514 -2.220 172 HG21 VAL 22 3HG2 VAL 22 3.095 2.969 -6.489 173 HG22 VAL 22 1HG2 VAL 22 1.884 2.156 -5.492 174 HG23 VAL 22 2HG2 VAL 22 3.572 1.639 -5.434 175 H LYS 23 H LYS 23 3.944 6.651 -3.907 176 HA LYS 23 HA LYS 23 3.397 7.089 -1.170 177 HB2 LYS 23 2HB LYS 23 4.635 8.871 -3.310 178 HB3 LYS 23 3HB LYS 23 4.496 9.398 -1.635 179 HG2 LYS 23 2HG LYS 23 6.042 7.783 -0.865 180 HG3 LYS 23 3HG LYS 23 5.897 6.816 -2.335 181 HD2 LYS 23 2HD LYS 23 8.047 7.999 -2.296 182 HD3 LYS 23 3HD LYS 23 7.042 8.564 -3.628 183 HE2 LYS 23 2HE LYS 23 6.425 10.559 -2.255 184 HE3 LYS 23 3HE LYS 23 7.532 9.997 -0.999 185 HZ1 LYS 23 3HZ LYS 23 9.355 10.166 -2.562 186 HZ2 LYS 23 1HZ LYS 23 8.560 11.655 -2.447 187 HZ3 LYS 23 2HZ LYS 23 8.310 10.663 -3.792 188 H ARG 24 H ARG 24 2.353 8.888 -4.052 189 HA ARG 24 HA ARG 24 0.677 10.773 -2.774 190 HB2 ARG 24 2HB ARG 24 1.621 11.114 -5.024 191 HB3 ARG 24 3HB ARG 24 0.691 9.760 -5.652 192 HG2 ARG 24 2HG ARG 24 -1.396 10.989 -5.300 193 HG3 ARG 24 3HG ARG 24 -0.516 12.325 -4.557 194 HD2 ARG 24 2HD ARG 24 -0.138 11.402 -7.426 195 HD3 ARG 24 3HD ARG 24 -1.167 12.745 -6.939 196 HE ARG 24 HE ARG 24 1.780 12.658 -6.720 197 HH11 ARG 24 1HH1 ARG 24 -1.179 14.555 -6.857 198 HH12 ARG 24 2HH1 ARG 24 -0.345 16.072 -6.955 199 HH21 ARG 24 1HH2 ARG 24 2.863 14.655 -6.840 200 HH22 ARG 24 2HH2 ARG 24 1.953 16.131 -6.947 201 H VAL 25 H VAL 25 0.107 7.519 -3.923 202 HA VAL 25 HA VAL 25 -2.757 7.599 -3.939 203 HB VAL 25 HB VAL 25 -0.714 5.354 -4.207 204 HG11 VAL 25 1HG1 VAL 25 -3.730 5.027 -4.270 205 HG12 VAL 25 2HG1 VAL 25 -2.636 4.355 -3.060 206 HG13 VAL 25 3HG1 VAL 25 -2.554 3.795 -4.730 207 HG21 VAL 25 3HG2 VAL 25 -2.740 6.503 -6.168 208 HG22 VAL 25 1HG2 VAL 25 -1.569 5.228 -6.521 209 HG23 VAL 25 2HG2 VAL 25 -1.014 6.861 -6.149 210 H ILE 26 H ILE 26 -0.301 6.296 -1.657 211 HA ILE 26 HA ILE 26 -2.224 5.221 0.187 212 HB ILE 26 HB ILE 26 0.735 5.848 0.666 213 HG12 ILE 26 2HG1 ILE 26 -0.604 3.175 0.003 214 HG13 ILE 26 3HG1 ILE 26 0.304 4.149 -1.146 215 HG21 ILE 26 1HG2 ILE 26 0.572 4.290 2.606 216 HG22 ILE 26 2HG2 ILE 26 -1.166 4.151 2.342 217 HG23 ILE 26 3HG2 ILE 26 -0.470 5.701 2.813 218 HD11 ILE 26 3HD1 ILE 26 1.633 2.313 -0.323 219 HD12 ILE 26 1HD1 ILE 26 1.416 2.858 1.340 220 HD13 ILE 26 2HD1 ILE 26 2.324 3.849 0.195 221 H ASP 27 H ASP 27 -0.687 8.353 -0.234 222 HA ASP 27 HA ASP 27 -1.459 9.575 2.209 223 HB2 ASP 27 2HB ASP 27 0.192 10.579 0.649 224 HB3 ASP 27 3HB ASP 27 -1.079 10.831 -0.544 225 H GLU 28 H GLU 28 -3.183 9.019 -0.834 226 HA GLU 28 HA GLU 28 -5.614 10.348 -0.076 227 HB2 GLU 28 2HB GLU 28 -4.955 8.354 -2.267 228 HB3 GLU 28 3HB GLU 28 -6.582 8.979 -2.034 229 HG2 GLU 28 2HG GLU 28 -4.128 10.647 -2.645 230 HG3 GLU 28 3HG GLU 28 -5.367 10.180 -3.809 231 H VAL 29 H VAL 29 -4.463 6.964 0.121 232 HA VAL 29 HA VAL 29 -6.887 5.814 1.025 233 HB VAL 29 HB VAL 29 -4.038 4.856 1.616 234 HG11 VAL 29 1HG1 VAL 29 -5.069 2.621 1.937 235 HG12 VAL 29 2HG1 VAL 29 -6.670 3.337 1.771 236 HG13 VAL 29 3HG1 VAL 29 -5.638 3.789 3.130 237 HG21 VAL 29 3HG2 VAL 29 -4.309 3.338 -0.310 238 HG22 VAL 29 1HG2 VAL 29 -4.435 5.027 -0.808 239 HG23 VAL 29 2HG2 VAL 29 -5.892 4.043 -0.653 240 H GLU 30 H GLU 30 -4.197 7.369 2.699 241 HA GLU 30 HA GLU 30 -4.741 6.680 5.354 242 HB2 GLU 30 2HB GLU 30 -3.081 8.738 3.958 243 HB3 GLU 30 3HB GLU 30 -3.531 9.171 5.600 244 HG2 GLU 30 2HG GLU 30 -2.280 6.490 4.984 245 HG3 GLU 30 3HG GLU 30 -1.298 7.930 5.213 246 H ARG 31 H ARG 31 -5.680 9.651 3.598 247 HA ARG 31 HA ARG 31 -7.100 10.820 5.766 248 HB2 ARG 31 2HB ARG 31 -8.017 12.382 4.018 249 HB3 ARG 31 3HB ARG 31 -6.265 12.238 3.997 250 HG2 ARG 31 2HG ARG 31 -6.460 10.635 2.086 251 HG3 ARG 31 3HG ARG 31 -8.199 10.924 2.065 252 HD2 ARG 31 2HD ARG 31 -6.115 13.100 1.683 253 HD3 ARG 31 3HD ARG 31 -6.892 12.226 0.359 254 HE ARG 31 HE ARG 31 -8.664 13.573 2.245 255 HH11 ARG 31 1HH1 ARG 31 -7.032 13.718 -0.881 256 HH12 ARG 31 2HH1 ARG 31 -8.091 14.949 -1.503 257 HH21 ARG 31 1HH2 ARG 31 -10.058 15.147 1.401 258 HH22 ARG 31 2HH2 ARG 31 -9.810 15.756 -0.205 259 H GLU 32 H GLU 32 -8.018 8.441 3.376 260 HA GLU 32 HA GLU 32 -10.894 8.738 3.817 261 HB2 GLU 32 2HB GLU 32 -9.268 6.892 2.030 262 HB3 GLU 32 3HB GLU 32 -11.027 6.838 2.136 263 HG2 GLU 32 2HG GLU 32 -11.168 9.161 1.331 264 HG3 GLU 32 3HG GLU 32 -9.410 9.257 1.269 265 H VAL 33 H VAL 33 -8.300 6.627 4.922 266 HA VAL 33 HA VAL 33 -10.129 4.626 5.999 267 HB VAL 33 HB VAL 33 -7.088 4.904 6.092 268 HG11 VAL 33 1HG1 VAL 33 -8.707 2.742 7.500 269 HG12 VAL 33 2HG1 VAL 33 -7.722 3.980 8.284 270 HG13 VAL 33 3HG1 VAL 33 -6.955 2.745 7.288 271 HG21 VAL 33 3HG2 VAL 33 -8.906 2.789 4.869 272 HG22 VAL 33 1HG2 VAL 33 -7.140 2.785 4.813 273 HG23 VAL 33 2HG2 VAL 33 -8.046 4.055 3.989 274 H GLN 34 H GLN 34 -8.193 7.353 7.184 275 HA GLN 34 HA GLN 34 -8.459 6.680 9.955 276 HB2 GLN 34 2HB GLN 34 -7.516 9.247 8.622 277 HB3 GLN 34 3HB GLN 34 -7.415 8.930 10.353 278 HG2 GLN 34 2HG GLN 34 -6.007 7.371 8.161 279 HG3 GLN 34 3HG GLN 34 -5.258 8.518 9.271 280 HE21 GLN 34 1HE2 GLN 34 -4.718 5.645 8.789 281 HE22 GLN 34 2HE2 GLN 34 -4.888 4.873 10.330 282 H LYS 35 H LYS 35 -10.623 8.297 7.808 283 HA LYS 35 HA LYS 35 -12.093 9.695 9.874 284 HB2 LYS 35 2HB LYS 35 -13.796 10.127 8.134 285 HB3 LYS 35 3HB LYS 35 -12.183 10.525 7.559 286 HG2 LYS 35 2HG LYS 35 -12.107 8.408 6.286 287 HG3 LYS 35 3HG LYS 35 -13.719 8.005 6.874 288 HD2 LYS 35 2HD LYS 35 -13.904 8.853 4.609 289 HD3 LYS 35 3HD LYS 35 -14.617 10.032 5.707 290 HE2 LYS 35 2HE LYS 35 -12.640 11.450 5.530 291 HE3 LYS 35 3HE LYS 35 -11.808 10.228 4.565 292 HZ1 LYS 35 3HZ LYS 35 -13.524 10.513 2.849 293 HZ2 LYS 35 1HZ LYS 35 -12.673 11.946 3.145 294 HZ3 LYS 35 2HZ LYS 35 -14.237 11.746 3.761 295 H GLN 36 H GLN 36 -12.211 6.502 8.379 296 HA GLN 36 HA GLN 36 -14.787 5.775 9.584 297 HB2 GLN 36 2HB GLN 36 -12.882 4.081 7.894 298 HB3 GLN 36 3HB GLN 36 -14.529 3.656 8.339 299 HG2 GLN 36 2HG GLN 36 -13.686 5.913 6.507 300 HG3 GLN 36 3HG GLN 36 -14.458 4.400 6.029 301 HE21 GLN 36 1HE2 GLN 36 -16.676 4.088 6.587 302 HE22 GLN 36 2HE2 GLN 36 -17.717 5.430 6.905 303 H TYR 37 H TYR 37 -11.401 4.844 9.763 304 HA TYR 37 HA TYR 37 -11.776 3.241 12.196 305 HB2 TYR 37 2HB TYR 37 -9.378 3.383 10.302 306 HB3 TYR 37 3HB TYR 37 -9.511 2.332 11.704 307 HD1 TYR 37 HD2 TYR 37 -10.848 2.959 8.285 308 HD2 TYR 37 HD1 TYR 37 -10.641 0.185 11.537 309 HE1 TYR 37 HE2 TYR 37 -11.790 1.206 6.849 310 HE2 TYR 37 HE1 TYR 37 -11.582 -1.571 10.086 311 HH TYR 37 HH TYR 37 -12.948 -1.744 8.059 312 HA PRO 38 HA PRO 38 -9.871 7.080 13.967 313 HB2 PRO 38 2HB PRO 38 -11.012 6.044 16.525 314 HB3 PRO 38 3HB PRO 38 -11.277 7.608 15.724 315 HG2 PRO 38 2HG PRO 38 -13.211 5.745 15.823 316 HG3 PRO 38 3HG PRO 38 -13.018 6.808 14.408 317 HD2 PRO 38 2HD PRO 38 -12.097 3.952 14.760 318 HD3 PRO 38 3HD PRO 38 -12.921 4.708 13.376 319 H ASN 39 H ASN 39 -9.795 3.752 15.132 320 HA ASN 39 HA ASN 39 -7.284 4.202 16.627 321 HB2 ASN 39 2HB ASN 39 -9.335 1.941 16.808 322 HB3 ASN 39 3HB ASN 39 -7.848 2.017 17.749 323 HD21 ASN 39 1HD2 ASN 39 -8.723 2.187 19.770 324 HD22 ASN 39 2HD2 ASN 39 -9.703 3.506 20.300 325 H ALA 40 H ALA 40 -6.906 4.184 13.918 326 HA ALA 40 HA ALA 40 -5.374 1.680 13.540 327 HB1 ALA 40 3HB ALA 40 -5.945 1.685 11.146 328 HB2 ALA 40 1HB ALA 40 -6.992 3.089 11.387 329 HB3 ALA 40 2HB ALA 40 -7.394 1.544 12.140 330 H THR 41 H THR 41 -3.358 1.936 12.629 331 HA THR 41 HA THR 41 -2.486 4.635 11.766 332 HB THR 41 HB THR 41 -0.814 2.634 13.369 333 HG1 THR 41 HG1 THR 41 -2.426 4.769 14.128 334 HG21 THR 41 3HG2 THR 41 -0.142 5.472 12.492 335 HG22 THR 41 1HG2 THR 41 0.590 3.997 11.851 336 HG23 THR 41 2HG2 THR 41 0.856 4.457 13.534 337 H ILE 42 H ILE 42 -2.017 4.516 9.619 338 HA ILE 42 HA ILE 42 -1.054 1.993 8.437 339 HB ILE 42 HB ILE 42 -1.741 4.612 7.025 340 HG12 ILE 42 2HG1 ILE 42 -3.426 2.073 7.245 341 HG13 ILE 42 3HG1 ILE 42 -3.744 3.576 8.106 342 HG21 ILE 42 1HG2 ILE 42 -0.142 3.253 5.738 343 HG22 ILE 42 2HG2 ILE 42 -1.714 3.252 4.942 344 HG23 ILE 42 3HG2 ILE 42 -1.200 1.844 5.872 345 HD11 ILE 42 3HD1 ILE 42 -3.814 3.217 5.111 346 HD12 ILE 42 1HD1 ILE 42 -4.137 4.717 5.985 347 HD13 ILE 42 2HD1 ILE 42 -5.200 3.326 6.193 348 H THR 43 H THR 43 1.071 1.831 9.019 349 HA THR 43 HA THR 43 2.981 3.960 8.367 350 HB THR 43 HB THR 43 3.463 1.156 9.508 351 HG1 THR 43 HG1 THR 43 3.163 3.691 10.780 352 HG21 THR 43 3HG2 THR 43 5.491 2.127 8.441 353 HG22 THR 43 1HG2 THR 43 5.664 2.014 10.195 354 HG23 THR 43 2HG2 THR 43 5.310 3.570 9.442 355 H ARG 44 H ARG 44 4.265 3.861 6.554 356 HA ARG 44 HA ARG 44 4.409 1.436 4.931 357 HB2 ARG 44 2HB ARG 44 3.854 2.581 2.820 358 HB3 ARG 44 3HB ARG 44 2.488 2.554 3.915 359 HG2 ARG 44 2HG ARG 44 4.254 4.987 3.490 360 HG3 ARG 44 3HG ARG 44 2.769 4.673 2.594 361 HD2 ARG 44 2HD ARG 44 1.525 4.658 4.777 362 HD3 ARG 44 3HD ARG 44 3.021 5.148 5.582 363 HE ARG 44 HE ARG 44 2.486 6.936 3.477 364 HH11 ARG 44 1HH1 ARG 44 1.223 6.109 6.648 365 HH12 ARG 44 2HH1 ARG 44 0.565 7.688 6.928 366 HH21 ARG 44 1HH2 ARG 44 1.559 8.984 3.841 367 HH22 ARG 44 2HH2 ARG 44 0.758 9.306 5.347 368 H THR 45 H THR 45 6.399 1.134 4.193 369 HA THR 45 HA THR 45 8.284 3.415 4.064 370 HB THR 45 HB THR 45 8.992 0.560 4.911 371 HG1 THR 45 HG1 THR 45 8.323 2.867 6.389 372 HG21 THR 45 3HG2 THR 45 11.148 1.562 5.586 373 HG22 THR 45 1HG2 THR 45 10.619 3.132 4.969 374 HG23 THR 45 2HG2 THR 45 10.868 1.782 3.858 375 H LEU 46 H LEU 46 8.606 3.760 1.921 376 HA LEU 46 HA LEU 46 8.768 1.509 0.028 377 HB2 LEU 46 2HB LEU 46 8.858 4.515 -0.509 378 HB3 LEU 46 3HB LEU 46 8.892 3.257 -1.730 379 HG LEU 46 HG LEU 46 6.556 2.545 -0.786 380 HD11 LEU 46 1HD1 LEU 46 6.559 3.887 1.254 381 HD12 LEU 46 2HD1 LEU 46 5.204 4.320 0.217 382 HD13 LEU 46 3HD1 LEU 46 6.619 5.375 0.303 383 HD21 LEU 46 3HD2 LEU 46 6.855 5.117 -2.363 384 HD22 LEU 46 1HD2 LEU 46 5.393 4.128 -2.270 385 HD23 LEU 46 2HD2 LEU 46 6.850 3.474 -3.011 386 H THR 47 H THR 47 10.698 0.570 -0.035 387 HA THR 47 HA THR 47 13.198 2.093 0.367 388 HB THR 47 HB THR 47 12.756 -0.939 0.475 389 HG1 THR 47 HG1 THR 47 12.182 -0.688 2.480 390 HG21 THR 47 3HG2 THR 47 14.949 -1.016 1.586 391 HG22 THR 47 1HG2 THR 47 15.110 0.735 1.439 392 HG23 THR 47 2HG2 THR 47 15.109 -0.277 -0.008 393 H ARG 48 H ARG 48 14.378 2.472 -1.424 394 HA ARG 48 HA ARG 48 13.730 1.189 -3.969 395 HB2 ARG 48 2HB ARG 48 15.688 3.405 -3.224 396 HB3 ARG 48 3HB ARG 48 15.471 2.803 -4.864 397 HG2 ARG 48 2HG ARG 48 13.236 4.019 -3.211 398 HG3 ARG 48 3HG ARG 48 14.228 4.930 -4.348 399 HD2 ARG 48 2HD ARG 48 12.531 2.529 -5.110 400 HD3 ARG 48 3HD ARG 48 12.019 4.211 -5.283 401 HE ARG 48 HE ARG 48 13.925 2.763 -6.926 402 HH11 ARG 48 1HH1 ARG 48 12.701 5.955 -6.061 403 HH12 ARG 48 2HH1 ARG 48 13.309 6.709 -7.503 404 HH21 ARG 48 1HH2 ARG 48 14.745 3.767 -8.783 405 HH22 ARG 48 2HH2 ARG 48 14.468 5.461 -9.039 406 H ASP 49 H ASP 49 14.500 -0.799 -4.139 407 HA ASP 49 HA ASP 49 17.222 -1.474 -3.187 408 HB2 ASP 49 2HB ASP 49 15.328 -2.459 -1.809 409 HB3 ASP 49 3HB ASP 49 14.812 -3.353 -3.235 410 H ASP 50 H ASP 50 17.767 -0.720 -5.340 411 HA ASP 50 HA ASP 50 18.547 -0.987 -7.439 412 HB2 ASP 50 2HB ASP 50 18.750 -3.897 -6.580 413 HB3 ASP 50 3HB ASP 50 19.582 -3.187 -7.961 414 H GLY 51 H GLY 51 16.422 -0.402 -8.297 415 HA2 GLY 51 2HA GLY 51 15.216 -0.614 -10.266 416 HA3 GLY 51 3HA GLY 51 15.659 -2.311 -10.363 417 H THR 52 H THR 52 14.614 -2.396 -7.367 418 HA THR 52 HA THR 52 11.733 -2.660 -8.054 419 HB THR 52 HB THR 52 13.291 -4.359 -6.031 420 HG1 THR 52 HG1 THR 52 12.852 -4.659 -8.785 421 HG21 THR 52 3HG2 THR 52 10.530 -4.776 -7.257 422 HG22 THR 52 1HG2 THR 52 10.839 -4.264 -5.595 423 HG23 THR 52 2HG2 THR 52 11.339 -5.869 -6.134 424 H VAL 53 H VAL 53 10.252 -1.747 -6.629 425 HA VAL 53 HA VAL 53 11.215 -0.264 -4.273 426 HB VAL 53 HB VAL 53 8.373 -0.398 -5.444 427 HG11 VAL 53 1HG1 VAL 53 7.887 1.565 -3.999 428 HG12 VAL 53 2HG1 VAL 53 9.503 1.450 -3.298 429 HG13 VAL 53 3HG1 VAL 53 8.337 0.152 -3.038 430 HG21 VAL 53 3HG2 VAL 53 8.814 1.882 -6.304 431 HG22 VAL 53 1HG2 VAL 53 9.924 0.699 -7.001 432 HG23 VAL 53 2HG2 VAL 53 10.477 1.781 -5.721 433 H GLU 54 H GLU 54 11.054 -1.115 -2.288 434 HA GLU 54 HA GLU 54 9.405 -3.492 -1.727 435 HB2 GLU 54 2HB GLU 54 11.826 -3.618 -1.159 436 HB3 GLU 54 3HB GLU 54 11.674 -2.175 -0.165 437 HG2 GLU 54 2HG GLU 54 9.994 -3.489 1.261 438 HG3 GLU 54 3HG GLU 54 10.500 -4.920 0.365 439 H LEU 55 H LEU 55 7.384 -2.604 -1.349 440 HA LEU 55 HA LEU 55 7.067 -0.326 0.487 441 HB2 LEU 55 2HB LEU 55 5.737 -0.235 -1.550 442 HB3 LEU 55 3HB LEU 55 5.109 -1.853 -1.282 443 HG LEU 55 HG LEU 55 3.928 -0.990 0.783 444 HD11 LEU 55 1HD1 LEU 55 3.642 1.416 1.093 445 HD12 LEU 55 2HD1 LEU 55 4.785 1.734 -0.212 446 HD13 LEU 55 3HD1 LEU 55 5.330 0.937 1.266 447 HD21 LEU 55 3HD2 LEU 55 2.099 0.122 -0.420 448 HD22 LEU 55 1HD2 LEU 55 2.702 -1.274 -1.313 449 HD23 LEU 55 2HD2 LEU 55 3.149 0.356 -1.821 450 H ARG 56 H ARG 56 7.174 -0.939 2.600 451 HA ARG 56 HA ARG 56 5.936 -3.479 3.482 452 HB2 ARG 56 2HB ARG 56 7.771 -1.593 5.040 453 HB3 ARG 56 3HB ARG 56 7.189 -3.166 5.580 454 HG2 ARG 56 2HG ARG 56 8.440 -4.220 3.679 455 HG3 ARG 56 3HG ARG 56 9.104 -2.633 3.287 456 HD2 ARG 56 2HD ARG 56 9.547 -4.241 5.819 457 HD3 ARG 56 3HD ARG 56 10.738 -3.830 4.587 458 HE ARG 56 HE ARG 56 9.480 -1.874 6.432 459 HH11 ARG 56 1HH1 ARG 56 12.276 -2.879 4.550 460 HH12 ARG 56 2HH1 ARG 56 13.266 -1.564 5.113 461 HH21 ARG 56 1HH2 ARG 56 10.809 -0.189 7.183 462 HH22 ARG 56 2HH2 ARG 56 12.435 -0.047 6.597 463 H ILE 57 H ILE 57 3.847 -3.187 3.925 464 HA ILE 57 HA ILE 57 2.815 -0.692 5.110 465 HB ILE 57 HB ILE 57 1.355 -3.125 3.967 466 HG12 ILE 57 2HG1 ILE 57 2.500 -1.659 2.251 467 HG13 ILE 57 3HG1 ILE 57 0.756 -1.762 2.051 468 HG21 ILE 57 1HG2 ILE 57 -0.732 -1.796 4.168 469 HG22 ILE 57 2HG2 ILE 57 0.163 -0.531 5.012 470 HG23 ILE 57 3HG2 ILE 57 -0.004 -2.129 5.740 471 HD11 ILE 57 3HD1 ILE 57 0.517 0.448 3.091 472 HD12 ILE 57 1HD1 ILE 57 1.552 0.485 1.665 473 HD13 ILE 57 2HD1 ILE 57 2.271 0.540 3.272 474 H LYS 58 H LYS 58 2.772 -0.655 7.270 475 HA LYS 58 HA LYS 58 2.195 -3.094 8.844 476 HB2 LYS 58 2HB LYS 58 4.489 -2.130 9.138 477 HB3 LYS 58 3HB LYS 58 3.776 -0.600 9.630 478 HG2 LYS 58 2HG LYS 58 2.789 -1.680 11.616 479 HG3 LYS 58 3HG LYS 58 3.468 -3.233 11.108 480 HD2 LYS 58 2HD LYS 58 5.774 -2.166 11.238 481 HD3 LYS 58 3HD LYS 58 5.007 -0.746 11.951 482 HE2 LYS 58 2HE LYS 58 4.211 -2.126 13.834 483 HE3 LYS 58 3HE LYS 58 4.963 -3.548 13.110 484 HZ1 LYS 58 3HZ LYS 58 6.390 -1.115 14.050 485 HZ2 LYS 58 1HZ LYS 58 7.119 -2.464 13.331 486 HZ3 LYS 58 2HZ LYS 58 6.354 -2.611 14.830 487 H VAL 59 H VAL 59 0.060 -2.973 9.359 488 HA VAL 59 HA VAL 59 -1.196 -0.347 9.897 489 HB VAL 59 HB VAL 59 -2.558 -2.993 9.160 490 HG11 VAL 59 1HG1 VAL 59 -3.985 -1.615 10.623 491 HG12 VAL 59 2HG1 VAL 59 -4.637 -1.658 8.986 492 HG13 VAL 59 3HG1 VAL 59 -3.774 -0.226 9.551 493 HG21 VAL 59 3HG2 VAL 59 -2.174 -0.483 7.482 494 HG22 VAL 59 1HG2 VAL 59 -3.092 -1.913 7.002 495 HG23 VAL 59 2HG2 VAL 59 -1.346 -2.023 7.244 496 H LYS 60 H LYS 60 -1.173 0.066 12.038 497 HA LYS 60 HA LYS 60 -1.486 -2.034 14.041 498 HB2 LYS 60 2HB LYS 60 0.092 -0.091 14.367 499 HB3 LYS 60 3HB LYS 60 -1.291 0.999 14.382 500 HG2 LYS 60 2HG LYS 60 -2.150 -0.043 16.411 501 HG3 LYS 60 3HG LYS 60 -0.870 -1.258 16.366 502 HD2 LYS 60 2HD LYS 60 -0.406 0.512 18.035 503 HD3 LYS 60 3HD LYS 60 0.827 0.466 16.773 504 HE2 LYS 60 2HE LYS 60 -0.178 2.417 15.683 505 HE3 LYS 60 3HE LYS 60 -1.499 2.423 16.855 506 HZ1 LYS 60 3HZ LYS 60 1.362 2.791 17.568 507 HZ2 LYS 60 1HZ LYS 60 0.032 2.955 18.594 508 HZ3 LYS 60 2HZ LYS 60 0.267 4.056 17.337 509 H ALA 61 H ALA 61 -3.516 -2.738 14.331 510 HA ALA 61 HA ALA 61 -5.759 -0.831 14.617 511 HB1 ALA 61 3HB ALA 61 -5.892 -3.403 12.991 512 HB2 ALA 61 1HB ALA 61 -5.912 -1.769 12.326 513 HB3 ALA 61 2HB ALA 61 -7.250 -2.327 13.334 514 H ASP 62 H ASP 62 -7.639 -1.940 15.686 515 HA ASP 62 HA ASP 62 -6.938 -3.058 18.163 516 HB2 ASP 62 2HB ASP 62 -9.066 -1.800 17.700 517 HB3 ASP 62 3HB ASP 62 -9.649 -3.162 16.752 518 H THR 63 H THR 63 -8.545 -4.570 15.377 519 HA THR 63 HA THR 63 -7.483 -7.233 16.131 520 HB THR 63 HB THR 63 -9.422 -8.157 14.808 521 HG1 THR 63 HG1 THR 63 -11.174 -6.554 14.508 522 HG21 THR 63 3HG2 THR 63 -11.170 -7.736 16.492 523 HG22 THR 63 1HG2 THR 63 -10.248 -6.371 17.127 524 HG23 THR 63 2HG2 THR 63 -9.610 -8.012 17.269 525 H GLU 64 H GLU 64 -6.542 -8.464 14.499 526 HA GLU 64 HA GLU 64 -5.327 -7.099 12.342 527 HB2 GLU 64 2HB GLU 64 -4.441 -9.266 11.629 528 HB3 GLU 64 3HB GLU 64 -4.260 -9.059 13.365 529 HG2 GLU 64 2HG GLU 64 -6.132 -10.554 13.786 530 HG3 GLU 64 3HG GLU 64 -6.437 -10.708 12.056 531 H GLU 65 H GLU 65 -8.363 -8.869 12.612 532 HA GLU 65 HA GLU 65 -8.956 -9.309 9.912 533 HB2 GLU 65 2HB GLU 65 -10.261 -10.273 11.764 534 HB3 GLU 65 3HB GLU 65 -10.843 -8.675 12.217 535 HG2 GLU 65 2HG GLU 65 -12.584 -9.893 11.033 536 HG3 GLU 65 3HG GLU 65 -12.056 -8.516 10.072 537 H LYS 66 H LYS 66 -9.829 -6.476 11.967 538 HA LYS 66 HA LYS 66 -10.949 -4.873 9.916 539 HB2 LYS 66 2HB LYS 66 -9.606 -4.092 12.529 540 HB3 LYS 66 3HB LYS 66 -10.434 -2.944 11.480 541 HG2 LYS 66 2HG LYS 66 -12.564 -4.092 11.812 542 HG3 LYS 66 3HG LYS 66 -11.765 -5.365 12.743 543 HD2 LYS 66 2HD LYS 66 -12.906 -3.751 14.236 544 HD3 LYS 66 3HD LYS 66 -11.161 -3.746 14.500 545 HE2 LYS 66 2HE LYS 66 -10.955 -1.688 13.162 546 HE3 LYS 66 3HE LYS 66 -12.693 -1.705 12.851 547 HZ1 LYS 66 3HZ LYS 66 -11.392 -1.386 15.507 548 HZ2 LYS 66 1HZ LYS 66 -13.063 -1.483 15.246 549 HZ3 LYS 66 2HZ LYS 66 -12.185 -0.188 14.617 550 H ALA 67 H ALA 67 -7.646 -5.335 11.022 551 HA ALA 67 HA ALA 67 -6.411 -3.300 9.478 552 HB1 ALA 67 3HB ALA 67 -5.398 -4.363 11.449 553 HB2 ALA 67 1HB ALA 67 -4.332 -4.423 10.047 554 HB3 ALA 67 2HB ALA 67 -5.216 -5.868 10.547 555 H LYS 68 H LYS 68 -7.334 -6.670 8.670 556 HA LYS 68 HA LYS 68 -5.890 -7.002 6.257 557 HB2 LYS 68 2HB LYS 68 -8.724 -8.060 6.666 558 HB3 LYS 68 3HB LYS 68 -7.492 -8.709 5.594 559 HG2 LYS 68 2HG LYS 68 -7.470 -8.797 8.604 560 HG3 LYS 68 3HG LYS 68 -7.899 -10.129 7.538 561 HD2 LYS 68 2HD LYS 68 -5.595 -10.217 6.689 562 HD3 LYS 68 3HD LYS 68 -5.148 -8.826 7.688 563 HE2 LYS 68 2HE LYS 68 -5.693 -10.129 9.722 564 HE3 LYS 68 3HE LYS 68 -6.115 -11.519 8.721 565 HZ1 LYS 68 3HZ LYS 68 -3.435 -10.258 8.869 566 HZ2 LYS 68 1HZ LYS 68 -3.844 -11.607 7.945 567 HZ3 LYS 68 2HZ LYS 68 -3.891 -11.692 9.633 568 H SER 69 H SER 69 -9.042 -5.594 6.969 569 HA SER 69 HA SER 69 -10.010 -5.046 4.407 570 HB2 SER 69 2HB SER 69 -11.456 -4.903 6.361 571 HB3 SER 69 3HB SER 69 -10.486 -3.602 7.052 572 HG SER 69 HG SER 69 -11.524 -2.222 5.851 573 H ILE 70 H ILE 70 -8.001 -3.087 6.583 574 HA ILE 70 HA ILE 70 -7.879 -0.733 5.015 575 HB ILE 70 HB ILE 70 -5.984 -1.770 7.177 576 HG12 ILE 70 2HG1 ILE 70 -8.301 0.232 7.342 577 HG13 ILE 70 3HG1 ILE 70 -8.365 -1.433 7.901 578 HG21 ILE 70 1HG2 ILE 70 -6.181 1.040 6.026 579 HG22 ILE 70 2HG2 ILE 70 -4.841 -0.084 5.788 580 HG23 ILE 70 3HG2 ILE 70 -5.178 0.557 7.396 581 HD11 ILE 70 3HD1 ILE 70 -8.091 0.095 9.740 582 HD12 ILE 70 1HD1 ILE 70 -6.615 0.741 9.024 583 HD13 ILE 70 2HD1 ILE 70 -6.668 -0.935 9.580 584 H ILE 71 H ILE 71 -5.692 -3.541 5.291 585 HA ILE 71 HA ILE 71 -3.719 -2.809 3.416 586 HB ILE 71 HB ILE 71 -4.700 -5.584 4.242 587 HG12 ILE 71 2HG1 ILE 71 -2.228 -4.052 5.190 588 HG13 ILE 71 3HG1 ILE 71 -3.746 -4.128 6.079 589 HG21 ILE 71 1HG2 ILE 71 -2.159 -4.896 2.717 590 HG22 ILE 71 2HG2 ILE 71 -3.548 -5.777 2.080 591 HG23 ILE 71 3HG2 ILE 71 -2.561 -6.490 3.357 592 HD11 ILE 71 3HD1 ILE 71 -1.947 -6.459 5.433 593 HD12 ILE 71 1HD1 ILE 71 -3.490 -6.556 6.286 594 HD13 ILE 71 2HD1 ILE 71 -2.142 -5.671 6.998 595 H LYS 72 H LYS 72 -6.888 -4.358 3.035 596 HA LYS 72 HA LYS 72 -6.655 -5.210 0.345 597 HB2 LYS 72 2HB LYS 72 -8.379 -5.921 2.161 598 HB3 LYS 72 3HB LYS 72 -9.275 -4.474 1.739 599 HG2 LYS 72 2HG LYS 72 -8.586 -6.620 -0.297 600 HG3 LYS 72 3HG LYS 72 -10.031 -6.705 0.701 601 HD2 LYS 72 2HD LYS 72 -9.390 -4.466 -1.256 602 HD3 LYS 72 3HD LYS 72 -10.473 -5.818 -1.581 603 HE2 LYS 72 2HE LYS 72 -11.938 -5.070 0.287 604 HE3 LYS 72 3HE LYS 72 -10.872 -3.685 0.548 605 HZ1 LYS 72 3HZ LYS 72 -12.366 -4.252 -1.962 606 HZ2 LYS 72 1HZ LYS 72 -11.388 -2.905 -1.677 607 HZ3 LYS 72 2HZ LYS 72 -12.814 -3.118 -0.796 608 H LEU 73 H LEU 73 -7.946 -2.251 1.880 609 HA LEU 73 HA LEU 73 -8.837 -0.906 -0.423 610 HB2 LEU 73 2HB LEU 73 -8.135 -0.053 2.376 611 HB3 LEU 73 3HB LEU 73 -8.218 1.213 1.164 612 HG LEU 73 HG LEU 73 -10.576 0.614 0.670 613 HD11 LEU 73 1HD1 LEU 73 -10.378 -1.390 2.927 614 HD12 LEU 73 2HD1 LEU 73 -10.557 -1.771 1.213 615 HD13 LEU 73 3HD1 LEU 73 -11.848 -0.927 2.066 616 HD21 LEU 73 3HD2 LEU 73 -11.569 1.450 2.769 617 HD22 LEU 73 1HD2 LEU 73 -10.129 2.359 2.308 618 HD23 LEU 73 2HD2 LEU 73 -10.040 1.162 3.603 619 H ILE 74 H ILE 74 -5.699 -0.707 1.282 620 HA ILE 74 HA ILE 74 -4.369 1.142 -0.349 621 HB ILE 74 HB ILE 74 -3.165 -1.226 1.180 622 HG12 ILE 74 2HG1 ILE 74 -3.432 1.690 2.061 623 HG13 ILE 74 3HG1 ILE 74 -4.491 0.391 2.588 624 HG21 ILE 74 1HG2 ILE 74 -1.016 0.012 1.139 625 HG22 ILE 74 2HG2 ILE 74 -1.748 1.257 0.127 626 HG23 ILE 74 3HG2 ILE 74 -1.560 -0.382 -0.496 627 HD11 ILE 74 3HD1 ILE 74 -2.873 0.917 4.284 628 HD12 ILE 74 1HD1 ILE 74 -1.544 0.620 3.160 629 HD13 ILE 74 2HD1 ILE 74 -2.592 -0.709 3.664 630 H GLU 75 H GLU 75 -4.670 -2.367 -0.606 631 HA GLU 75 HA GLU 75 -2.808 -2.839 -2.657 632 HB2 GLU 75 2HB GLU 75 -4.028 -4.415 -0.889 633 HB3 GLU 75 3HB GLU 75 -5.189 -4.657 -2.183 634 HG2 GLU 75 2HG GLU 75 -2.215 -5.168 -2.418 635 HG3 GLU 75 3HG GLU 75 -3.393 -6.404 -2.003 636 H GLU 76 H GLU 76 -6.365 -2.407 -2.754 637 HA GLU 76 HA GLU 76 -6.820 -2.751 -5.507 638 HB2 GLU 76 2HB GLU 76 -8.286 -0.860 -3.612 639 HB3 GLU 76 3HB GLU 76 -8.892 -1.396 -5.174 640 HG2 GLU 76 2HG GLU 76 -8.406 -3.146 -2.755 641 HG3 GLU 76 3HG GLU 76 -9.969 -2.560 -3.304 642 H ARG 77 H ARG 77 -5.834 0.066 -3.648 643 HA ARG 77 HA ARG 77 -6.281 2.013 -5.693 644 HB2 ARG 77 2HB ARG 77 -4.817 2.168 -3.031 645 HB3 ARG 77 3HB ARG 77 -5.137 3.556 -4.058 646 HG2 ARG 77 2HG ARG 77 -7.272 1.808 -2.809 647 HG3 ARG 77 3HG ARG 77 -6.716 3.348 -2.157 648 HD2 ARG 77 2HD ARG 77 -7.501 4.483 -4.231 649 HD3 ARG 77 3HD ARG 77 -8.089 2.931 -4.830 650 HE ARG 77 HE ARG 77 -9.838 2.994 -3.326 651 HH11 ARG 77 1HH1 ARG 77 -7.730 5.745 -2.761 652 HH12 ARG 77 2HH1 ARG 77 -8.874 6.567 -1.752 653 HH21 ARG 77 1HH2 ARG 77 -11.323 4.082 -2.027 654 HH22 ARG 77 2HH2 ARG 77 -10.914 5.620 -1.339 655 H ILE 78 H ILE 78 -3.275 0.660 -4.210 656 HA ILE 78 HA ILE 78 -1.481 2.161 -5.798 657 HB ILE 78 HB ILE 78 0.333 0.641 -5.053 658 HG12 ILE 78 2HG1 ILE 78 -1.854 -1.044 -3.738 659 HG13 ILE 78 3HG1 ILE 78 -0.911 -1.525 -5.141 660 HG21 ILE 78 1HG2 ILE 78 -0.381 2.451 -3.547 661 HG22 ILE 78 2HG2 ILE 78 0.166 1.053 -2.620 662 HG23 ILE 78 3HG2 ILE 78 -1.561 1.378 -2.791 663 HD11 ILE 78 3HD1 ILE 78 -0.114 -2.623 -3.149 664 HD12 ILE 78 1HD1 ILE 78 0.156 -1.073 -2.353 665 HD13 ILE 78 2HD1 ILE 78 1.120 -1.525 -3.762 666 H GLU 79 H GLU 79 -2.857 -1.101 -6.196 667 HA GLU 79 HA GLU 79 -1.530 -1.901 -8.518 668 HB2 GLU 79 2HB GLU 79 -2.889 -3.490 -7.324 669 HB3 GLU 79 3HB GLU 79 -4.325 -2.488 -7.491 670 HG2 GLU 79 2HG GLU 79 -4.563 -4.351 -8.973 671 HG3 GLU 79 3HG GLU 79 -4.281 -2.923 -9.959 672 H GLU 80 H GLU 80 -4.711 -0.262 -8.236 673 HA GLU 80 HA GLU 80 -5.329 -0.261 -10.968 674 HB2 GLU 80 2HB GLU 80 -6.914 0.081 -9.021 675 HB3 GLU 80 3HB GLU 80 -6.299 1.722 -8.871 676 HG2 GLU 80 2HG GLU 80 -8.360 1.877 -10.048 677 HG3 GLU 80 3HG GLU 80 -7.098 2.135 -11.247 678 H GLU 81 H GLU 81 -3.766 2.227 -8.965 679 HA GLU 81 HA GLU 81 -3.789 4.218 -11.064 680 HB2 GLU 81 2HB GLU 81 -2.442 4.350 -8.343 681 HB3 GLU 81 3HB GLU 81 -2.718 5.705 -9.430 682 HG2 GLU 81 2HG GLU 81 -4.772 4.130 -7.866 683 HG3 GLU 81 3HG GLU 81 -4.364 5.836 -7.703 684 H LEU 82 H LEU 82 -1.470 1.865 -9.833 685 HA LEU 82 HA LEU 82 0.758 3.034 -11.300 686 HB2 LEU 82 2HB LEU 82 0.574 1.215 -9.208 687 HB3 LEU 82 3HB LEU 82 0.956 0.152 -10.541 688 HG LEU 82 HG LEU 82 2.629 2.486 -9.529 689 HD11 LEU 82 1HD1 LEU 82 2.745 0.523 -8.104 690 HD12 LEU 82 2HD1 LEU 82 4.269 0.750 -8.954 691 HD13 LEU 82 3HD1 LEU 82 3.144 -0.500 -9.487 692 HD21 LEU 82 3HD2 LEU 82 2.850 2.400 -11.964 693 HD22 LEU 82 1HD2 LEU 82 3.230 0.679 -11.893 694 HD23 LEU 82 2HD2 LEU 82 4.337 1.859 -11.188 695 H ARG 83 H ARG 83 -1.746 0.659 -11.852 696 HA ARG 83 HA ARG 83 -0.526 -0.728 -14.047 697 HB2 ARG 83 2HB ARG 83 -2.177 -1.786 -12.529 698 HB3 ARG 83 3HB ARG 83 -3.428 -0.694 -13.111 699 HG2 ARG 83 2HG ARG 83 -3.336 -1.700 -15.330 700 HG3 ARG 83 3HG ARG 83 -1.977 -2.719 -14.848 701 HD2 ARG 83 2HD ARG 83 -4.116 -3.956 -14.866 702 HD3 ARG 83 3HD ARG 83 -3.384 -3.915 -13.259 703 HE ARG 83 HE ARG 83 -5.323 -1.817 -13.683 704 HH11 ARG 83 1HH1 ARG 83 -4.957 -5.201 -12.739 705 HH12 ARG 83 2HH1 ARG 83 -6.441 -5.237 -11.844 706 HH21 ARG 83 1HH2 ARG 83 -7.287 -1.894 -12.493 707 HH22 ARG 83 2HH2 ARG 83 -7.762 -3.366 -11.705 708 H LYS 84 H LYS 84 -2.705 2.029 -13.770 709 HA LYS 84 HA LYS 84 -3.464 2.211 -16.514 710 HB2 LYS 84 2HB LYS 84 -4.256 4.438 -15.985 711 HB3 LYS 84 3HB LYS 84 -4.656 3.357 -14.661 712 HG2 LYS 84 2HG LYS 84 -2.613 4.253 -13.443 713 HG3 LYS 84 3HG LYS 84 -2.486 5.468 -14.714 714 HD2 LYS 84 2HD LYS 84 -4.787 5.094 -12.762 715 HD3 LYS 84 3HD LYS 84 -3.645 6.435 -12.814 716 HE2 LYS 84 2HE LYS 84 -4.562 7.205 -14.934 717 HE3 LYS 84 3HE LYS 84 -5.615 5.789 -15.036 718 HZ1 LYS 84 3HZ LYS 84 -6.857 7.668 -14.266 719 HZ2 LYS 84 1HZ LYS 84 -5.763 7.957 -13.012 720 HZ3 LYS 84 2HZ LYS 84 -6.718 6.564 -12.997 721 H ARG 85 H ARG 85 -0.689 3.327 -14.697 722 HA ARG 85 HA ARG 85 0.485 4.906 -16.843 723 HB2 ARG 85 2HB ARG 85 0.841 5.677 -14.588 724 HB3 ARG 85 3HB ARG 85 1.311 4.086 -14.026 725 HG2 ARG 85 2HG ARG 85 3.161 5.719 -14.061 726 HG3 ARG 85 3HG ARG 85 3.488 4.292 -15.031 727 HD2 ARG 85 2HD ARG 85 2.380 6.673 -16.488 728 HD3 ARG 85 3HD ARG 85 4.028 6.811 -15.865 729 HE ARG 85 HE ARG 85 3.923 4.369 -17.121 730 HH11 ARG 85 1HH1 ARG 85 3.543 7.714 -18.168 731 HH12 ARG 85 2HH1 ARG 85 4.082 7.379 -19.784 732 HH21 ARG 85 1HH2 ARG 85 4.563 3.952 -19.222 733 HH22 ARG 85 2HH2 ARG 85 4.660 5.243 -20.382 734 H ASP 86 H ASP 86 0.781 1.642 -15.491 735 HA ASP 86 HA ASP 86 2.355 0.779 -17.801 736 HB2 ASP 86 2HB ASP 86 3.401 0.622 -14.946 737 HB3 ASP 86 3HB ASP 86 3.967 -0.491 -16.191 738 HA PRO 87 HA PRO 87 -0.739 -2.554 -17.046 739 HB2 PRO 87 2HB PRO 87 -0.053 -3.973 -19.359 740 HB3 PRO 87 3HB PRO 87 -1.198 -2.617 -19.321 741 HG2 PRO 87 2HG PRO 87 1.720 -2.580 -20.041 742 HG3 PRO 87 3HG PRO 87 0.350 -1.805 -20.872 743 HD2 PRO 87 2HD PRO 87 1.941 -0.370 -19.283 744 HD3 PRO 87 3HD PRO 87 0.185 -0.086 -19.275 745 H ASN 88 H ASN 88 2.723 -2.788 -17.565 746 HA ASN 88 HA ASN 88 2.886 -5.538 -16.556 747 HB2 ASN 88 2HB ASN 88 4.964 -3.617 -17.668 748 HB3 ASN 88 3HB ASN 88 5.384 -5.188 -16.986 749 HD21 ASN 88 1HD2 ASN 88 4.765 -7.083 -18.093 750 HD22 ASN 88 2HD2 ASN 88 4.278 -7.054 -19.753 751 H ALA 89 H ALA 89 2.366 -2.784 -14.970 752 HA ALA 89 HA ALA 89 4.227 -2.865 -12.818 753 HB1 ALA 89 3HB ALA 89 2.755 -0.921 -13.182 754 HB2 ALA 89 1HB ALA 89 2.532 -1.581 -11.560 755 HB3 ALA 89 2HB ALA 89 1.340 -1.909 -12.820 756 H THR 90 H THR 90 4.493 -4.489 -11.401 757 HA THR 90 HA THR 90 2.296 -6.399 -10.883 758 HB THR 90 HB THR 90 5.220 -7.178 -11.290 759 HG1 THR 90 HG1 THR 90 4.393 -6.514 -13.283 760 HG21 THR 90 3HG2 THR 90 4.320 -9.469 -11.447 761 HG22 THR 90 1HG2 THR 90 2.692 -8.861 -11.149 762 HG23 THR 90 2HG2 THR 90 3.923 -8.749 -9.887 763 H ILE 91 H ILE 91 1.845 -6.237 -8.763 764 HA ILE 91 HA ILE 91 4.020 -5.672 -6.833 765 HB ILE 91 HB ILE 91 2.464 -4.827 -5.277 766 HG12 ILE 91 2HG1 ILE 91 0.711 -6.618 -5.422 767 HG13 ILE 91 3HG1 ILE 91 0.025 -5.007 -5.318 768 HG21 ILE 91 1HG2 ILE 91 1.418 -3.917 -7.989 769 HG22 ILE 91 2HG2 ILE 91 2.819 -3.262 -7.134 770 HG23 ILE 91 3HG2 ILE 91 1.201 -3.056 -6.460 771 HD11 ILE 91 3HD1 ILE 91 -1.194 -6.423 -6.872 772 HD12 ILE 91 1HD1 ILE 91 0.263 -6.650 -7.838 773 HD13 ILE 91 2HD1 ILE 91 -0.471 -5.049 -7.704 774 H THR 92 H THR 92 4.564 -7.172 -5.283 775 HA THR 92 HA THR 92 3.179 -9.798 -5.322 776 HB THR 92 HB THR 92 6.041 -9.159 -4.421 777 HG1 THR 92 HG1 THR 92 5.031 -10.335 -6.816 778 HG21 THR 92 3HG2 THR 92 6.385 -11.599 -4.396 779 HG22 THR 92 1HG2 THR 92 4.694 -11.863 -4.834 780 HG23 THR 92 2HG2 THR 92 5.104 -11.155 -3.269 781 H ARG 93 H ARG 93 1.686 -9.695 -3.713 782 HA ARG 93 HA ARG 93 2.224 -8.238 -1.225 783 HB2 ARG 93 2HB ARG 93 0.039 -7.931 -2.388 784 HB3 ARG 93 3HB ARG 93 -0.304 -9.650 -2.214 785 HG2 ARG 93 2HG ARG 93 -0.221 -9.325 0.296 786 HG3 ARG 93 3HG ARG 93 -0.088 -7.587 0.008 787 HD2 ARG 93 2HD ARG 93 -2.412 -8.236 0.498 788 HD3 ARG 93 3HD ARG 93 -2.270 -7.610 -1.151 789 HE ARG 93 HE ARG 93 -2.123 -10.512 -0.740 790 HH11 ARG 93 1HH1 ARG 93 -4.054 -7.795 -1.882 791 HH12 ARG 93 2HH1 ARG 93 -5.162 -8.805 -2.754 792 HH21 ARG 93 1HH2 ARG 93 -3.542 -11.794 -1.897 793 HH22 ARG 93 2HH2 ARG 93 -4.869 -11.091 -2.762 794 H THR 94 H THR 94 3.488 -9.405 0.074 795 HA THR 94 HA THR 94 2.874 -12.250 0.658 796 HB THR 94 HB THR 94 5.497 -10.691 0.982 797 HG1 THR 94 HG1 THR 94 4.612 -12.572 -0.966 798 HG21 THR 94 3HG2 THR 94 6.534 -12.889 1.428 799 HG22 THR 94 1HG2 THR 94 4.943 -13.655 1.379 800 HG23 THR 94 2HG2 THR 94 5.328 -12.494 2.653 801 H VAL 95 H VAL 95 1.857 -12.467 2.618 802 HA VAL 95 HA VAL 95 1.671 -10.273 4.443 803 HB VAL 95 HB VAL 95 -0.227 -11.825 4.180 804 HG11 VAL 95 1HG1 VAL 95 1.466 -13.949 5.532 805 HG12 VAL 95 2HG1 VAL 95 0.916 -13.958 3.857 806 HG13 VAL 95 3HG1 VAL 95 -0.259 -14.085 5.169 807 HG21 VAL 95 3HG2 VAL 95 -0.827 -12.055 6.576 808 HG22 VAL 95 1HG2 VAL 95 -0.064 -10.499 6.239 809 HG23 VAL 95 2HG2 VAL 95 0.858 -11.782 7.023 810 H ARG 96 H ARG 96 3.032 -9.744 5.978 811 HA ARG 96 HA ARG 96 5.426 -11.406 6.415 812 HB2 ARG 96 2HB ARG 96 5.388 -8.971 5.419 813 HB3 ARG 96 3HB ARG 96 5.143 -8.456 7.077 814 HG2 ARG 96 2HG ARG 96 7.484 -8.257 6.485 815 HG3 ARG 96 3HG ARG 96 7.300 -9.517 7.707 816 HD2 ARG 96 2HD ARG 96 7.605 -11.262 6.064 817 HD3 ARG 96 3HD ARG 96 7.498 -10.112 4.728 818 HE ARG 96 HE ARG 96 9.687 -9.493 5.070 819 HH11 ARG 96 1HH1 ARG 96 8.736 -11.615 7.726 820 HH12 ARG 96 2HH1 ARG 96 10.358 -11.799 8.308 821 HH21 ARG 96 1HH2 ARG 96 11.781 -9.714 5.871 822 HH22 ARG 96 2HH2 ARG 96 12.085 -10.717 7.252 823 H THR 97 H THR 97 2.564 -10.888 7.938 824 HA THR 97 HA THR 97 3.711 -11.556 10.583 825 HB THR 97 HB THR 97 1.088 -10.089 10.007 826 HG1 THR 97 HG1 THR 97 3.562 -9.285 11.180 827 HG21 THR 97 3HG2 THR 97 2.309 -10.832 12.698 828 HG22 THR 97 1HG2 THR 97 0.860 -11.562 11.999 829 HG23 THR 97 2HG2 THR 97 0.861 -9.855 12.448 830 H GLU 98 H GLU 98 3.362 -13.573 11.126 831 HA GLU 98 HA GLU 98 1.024 -14.982 11.311 832 HB2 GLU 98 2HB GLU 98 1.062 -15.096 8.774 833 HB3 GLU 98 3HB GLU 98 2.597 -15.954 8.853 834 HG2 GLU 98 2HG GLU 98 1.541 -17.831 9.994 835 HG3 GLU 98 3HG GLU 98 0.009 -16.964 10.086 836 H VAL 99 H VAL 99 1.435 -17.002 12.382 837 HA VAL 99 HA VAL 99 4.195 -17.933 12.660 838 HB VAL 99 HB VAL 99 3.985 -16.264 14.460 839 HG11 VAL 99 1HG1 VAL 99 2.405 -16.501 16.332 840 HG12 VAL 99 2HG1 VAL 99 1.632 -17.862 15.517 841 HG13 VAL 99 3HG1 VAL 99 1.565 -16.251 14.800 842 HG21 VAL 99 3HG2 VAL 99 4.018 -19.099 15.556 843 HG22 VAL 99 1HG2 VAL 99 4.645 -17.668 16.381 844 HG23 VAL 99 2HG2 VAL 99 5.394 -18.222 14.884 845 H GLY 100 H GLY 100 4.269 -20.081 12.684 846 HA2 GLY 100 2HA GLY 100 1.834 -21.702 13.237 847 HA3 GLY 100 3HA GLY 100 3.039 -22.095 12.016 848 H SER 101 H SER 101 3.747 -20.913 15.265 849 HA SER 101 HA SER 101 5.458 -23.174 15.861 850 HB2 SER 101 2HB SER 101 4.649 -20.784 17.589 851 HB3 SER 101 3HB SER 101 5.928 -21.942 17.972 852 HG SER 101 HG SER 101 6.188 -20.862 15.468 853 H SER 102 H SER 102 2.141 -22.523 16.251 854 HA SER 102 HA SER 102 1.584 -24.085 18.597 855 HB2 SER 102 2HB SER 102 0.059 -22.291 17.811 856 HB3 SER 102 3HB SER 102 -0.255 -23.182 16.323 857 HG SER 102 HG SER 102 -1.457 -24.619 17.414 858 H TRP 103 H TRP 103 2.692 -26.060 18.249 859 HA TRP 103 HA TRP 103 1.354 -27.996 16.507 860 HB2 TRP 103 2HB TRP 103 3.095 -27.148 15.040 861 HB3 TRP 103 3HB TRP 103 4.315 -27.308 16.292 862 HD1 TRP 103 HD1 TRP 103 1.809 -30.038 15.024 863 HE1 TRP 103 HE1 TRP 103 3.192 -32.068 14.265 864 HE3 TRP 103 HE3 TRP 103 6.507 -28.121 15.674 865 HZ2 TRP 103 HZ2 TRP 103 5.909 -32.760 13.945 866 HZ3 TRP 103 HZ3 TRP 103 8.451 -29.521 15.104 867 HH2 TRP 103 HH2 TRP 103 8.154 -31.797 14.257 868 H SER 104 H SER 104 0.900 -29.649 17.756 869 HA SER 104 HA SER 104 2.502 -30.273 20.153 870 HB2 SER 104 2HB SER 104 -0.351 -31.086 19.418 871 HB3 SER 104 3HB SER 104 0.470 -31.455 20.936 872 HG SER 104 HG SER 104 0.536 -28.788 20.325 873 H LEU 105 H LEU 105 3.302 -32.320 20.499 874 HA LEU 105 HA LEU 105 3.125 -34.355 18.342 875 HB2 LEU 105 2HB LEU 105 5.592 -33.773 20.052 876 HB3 LEU 105 3HB LEU 105 5.457 -34.985 18.793 877 HG LEU 105 HG LEU 105 5.076 -32.958 17.164 878 HD11 LEU 105 1HD1 LEU 105 6.143 -30.853 17.826 879 HD12 LEU 105 2HD1 LEU 105 6.381 -31.469 19.463 880 HD13 LEU 105 3HD1 LEU 105 4.749 -31.206 18.847 881 HD21 LEU 105 3HD2 LEU 105 7.499 -32.682 16.844 882 HD22 LEU 105 1HD2 LEU 105 7.060 -34.370 17.102 883 HD23 LEU 105 2HD2 LEU 105 7.795 -33.442 18.410 884 H GLU 106 H GLU 106 2.788 -36.475 19.047 885 HA GLU 106 HA GLU 106 3.247 -37.282 21.793 886 HB2 GLU 106 2HB GLU 106 0.936 -37.987 22.276 887 HB3 GLU 106 3HB GLU 106 1.009 -36.255 21.988 888 HG2 GLU 106 2HG GLU 106 0.187 -36.695 19.635 889 HG3 GLU 106 3HG GLU 106 -0.053 -38.376 20.097 890 H HIS 107 H HIS 107 3.791 -39.357 21.905 891 HA HIS 107 HA HIS 107 2.670 -41.458 20.399 892 HB2 HIS 107 2HB HIS 107 4.704 -42.250 19.184 893 HB3 HIS 107 3HB HIS 107 4.122 -40.706 18.578 894 HD1 HIS 107 HD1 HIS 107 7.138 -42.378 19.583 895 HD2 HIS 107 HD2 HIS 107 5.779 -38.448 19.662 896 HE1 HIS 107 HE1 HIS 107 9.184 -40.956 19.877 897 HE2 HIS 107 HE2 HIS 107 8.332 -38.606 20.052 898 H HIS 108 H HIS 108 2.279 -42.002 22.598 899 HA HIS 108 HA HIS 108 4.579 -43.202 24.032 900 HB2 HIS 108 2HB HIS 108 3.815 -41.056 25.104 901 HB3 HIS 108 3HB HIS 108 2.222 -41.764 25.331 902 HD1 HIS 108 HD1 HIS 108 5.822 -42.247 26.452 903 HD2 HIS 108 HD2 HIS 108 1.968 -43.166 27.713 904 HE1 HIS 108 HE1 HIS 108 6.073 -43.176 28.766 905 HE2 HIS 108 HE2 HIS 108 3.742 -43.785 29.480 906 H HIS 109 H HIS 109 3.995 -45.107 22.894 907 HA HIS 109 HA HIS 109 1.734 -46.611 24.067 908 HB2 HIS 109 2HB HIS 109 1.104 -45.723 21.786 909 HB3 HIS 109 3HB HIS 109 2.478 -46.577 21.095 910 HD1 HIS 109 HD1 HIS 109 1.792 -48.699 20.001 911 HD2 HIS 109 HD2 HIS 109 -0.710 -47.762 23.186 912 HE1 HIS 109 HE1 HIS 109 0.101 -50.550 20.096 913 HE2 HIS 109 HE2 HIS 109 -1.292 -50.043 22.122 914 H HIS 110 H HIS 110 4.452 -46.539 24.810 915 HA HIS 110 HA HIS 110 5.829 -48.883 23.838 916 HB2 HIS 110 2HB HIS 110 7.165 -47.028 24.643 917 HB3 HIS 110 3HB HIS 110 6.316 -46.991 26.185 918 HD1 HIS 110 HD1 HIS 110 7.375 -48.280 28.049 919 HD2 HIS 110 HD2 HIS 110 8.840 -49.450 24.335 920 HE1 HIS 110 HE1 HIS 110 9.248 -49.881 28.534 921 HE2 HIS 110 HE2 HIS 110 9.994 -50.700 26.278 922 H HIS 111 H HIS 111 4.728 -50.753 24.217 923 HA HIS 111 HA HIS 111 3.481 -51.441 26.727 924 HB2 HIS 111 2HB HIS 111 2.681 -52.388 24.568 925 HB3 HIS 111 3HB HIS 111 4.225 -53.203 24.334 926 HD1 HIS 111 HD1 HIS 111 4.270 -55.584 25.135 927 HD2 HIS 111 HD2 HIS 111 1.265 -53.396 26.995 928 HE1 HIS 111 HE1 HIS 111 3.009 -57.233 26.546 929 HE2 HIS 111 HE2 HIS 111 1.220 -55.884 27.687 930 H HIS 112 H HIS 112 6.336 -52.658 24.949 931 HA HIS 112 HA HIS 112 8.072 -52.664 27.202 932 HB2 HIS 112 2HB HIS 112 6.803 -54.694 27.832 933 HB3 HIS 112 3HB HIS 112 7.085 -55.400 26.244 934 HD1 HIS 112 HD1 HIS 112 9.295 -56.595 25.865 935 HD2 HIS 112 HD2 HIS 112 9.136 -54.647 29.539 936 HE1 HIS 112 HE1 HIS 112 11.292 -57.412 27.151 937 HE2 HIS 112 HE2 HIS 112 11.186 -56.209 29.354
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