NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
580633 | 2m5r | 17886 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -6.889 -7.716 11.667 2 H2 MET 1 2HT MET 1 -7.245 -7.554 9.995 3 H3 MET 1 3HT MET 1 -6.735 -6.189 10.901 4 HA MET 1 HA MET 1 -4.943 -8.412 10.997 5 HB2 MET 1 2HB MET 1 -6.039 -7.447 8.470 6 HB3 MET 1 1HB MET 1 -4.291 -7.272 8.552 7 HG2 MET 1 2HG MET 1 -5.840 -9.816 8.976 8 HG3 MET 1 1HG MET 1 -4.913 -9.384 7.540 9 HE1 MET 1 2HE MET 1 -1.496 -9.627 8.122 10 HE2 MET 1 3HE MET 1 -2.912 -9.666 7.071 11 HE3 MET 1 1HE MET 1 -2.242 -11.170 7.704 12 H ASN 2 H ASN 2 -3.725 -7.352 12.474 13 HA ASN 2 HA ASN 2 -3.218 -4.559 12.375 14 HB2 ASN 2 2HB ASN 2 -1.265 -5.526 14.017 15 HB3 ASN 2 1HB ASN 2 -2.901 -5.127 14.534 16 HD21 ASN 2 1HD2 ASN 2 -4.495 -6.901 14.403 17 HD22 ASN 2 2HD2 ASN 2 -3.961 -8.500 14.784 18 H ASP 3 H ASP 3 -1.574 -7.384 11.198 19 HA ASP 3 HA ASP 3 0.984 -6.450 10.814 20 HB2 ASP 3 2HB ASP 3 -0.605 -8.257 8.989 21 HB3 ASP 3 1HB ASP 3 1.144 -8.066 8.944 22 H VAL 4 H VAL 4 -1.853 -5.874 8.839 23 HA VAL 4 HA VAL 4 -0.473 -4.584 6.716 24 HB VAL 4 HB VAL 4 -2.765 -3.709 6.106 25 HG11 VAL 4 1HG1 VAL 4 -1.792 -5.786 5.195 26 HG12 VAL 4 2HG1 VAL 4 -3.549 -5.860 5.331 27 HG13 VAL 4 3HG1 VAL 4 -2.537 -6.688 6.515 28 HG21 VAL 4 3HG2 VAL 4 -4.682 -4.500 7.268 29 HG22 VAL 4 1HG2 VAL 4 -3.607 -3.786 8.471 30 HG23 VAL 4 2HG2 VAL 4 -3.705 -5.540 8.303 31 H LEU 5 H LEU 5 -2.298 -3.362 9.509 32 HA LEU 5 HA LEU 5 -1.990 -0.635 8.874 33 HB2 LEU 5 2HB LEU 5 -3.161 -2.197 10.960 34 HB3 LEU 5 1HB LEU 5 -2.248 -0.878 11.663 35 HG LEU 5 HG LEU 5 -3.663 0.375 9.659 36 HD11 LEU 5 1HD1 LEU 5 -4.898 -2.027 9.798 37 HD12 LEU 5 2HD1 LEU 5 -5.697 -0.523 9.338 38 HD13 LEU 5 3HD1 LEU 5 -5.815 -1.112 10.995 39 HD21 LEU 5 3HD2 LEU 5 -4.854 0.135 12.379 40 HD22 LEU 5 1HD2 LEU 5 -4.608 1.565 11.376 41 HD23 LEU 5 2HD2 LEU 5 -3.241 0.826 12.210 42 H THR 6 H THR 6 -0.055 -2.867 10.718 43 HA THR 6 HA THR 6 1.601 -1.017 12.010 44 HB THR 6 HB THR 6 1.786 -3.106 12.940 45 HG1 THR 6 1HG THR 6 3.922 -2.212 11.974 46 HG21 THR 6 3HG2 THR 6 2.545 -4.885 10.881 47 HG22 THR 6 1HG2 THR 6 1.092 -4.031 10.362 48 HG23 THR 6 2HG2 THR 6 1.097 -4.915 11.888 49 H ARG 7 H ARG 7 2.293 -2.950 9.124 50 HA ARG 7 HA ARG 7 4.667 -1.483 8.537 51 HB2 ARG 7 2HB ARG 7 4.370 -3.894 7.990 52 HB3 ARG 7 1HB ARG 7 3.176 -3.435 6.783 53 HG2 ARG 7 2HG ARG 7 5.595 -1.951 6.377 54 HG3 ARG 7 1HG ARG 7 5.943 -3.680 6.452 55 HD2 ARG 7 2HD ARG 7 5.157 -2.401 4.213 56 HD3 ARG 7 1HD ARG 7 4.864 -4.111 4.522 57 HE ARG 7 HE ARG 7 2.904 -1.946 4.727 58 HH11 ARG 7 1HH1 ARG 7 3.670 -5.339 4.878 59 HH12 ARG 7 2HH1 ARG 7 2.016 -5.848 4.808 60 HH21 ARG 7 1HH2 ARG 7 0.722 -2.604 4.637 61 HH22 ARG 7 2HH2 ARG 7 0.339 -4.293 4.672 62 H VAL 8 H VAL 8 1.396 -1.624 7.243 63 HA VAL 8 HA VAL 8 1.824 0.102 5.064 64 HB VAL 8 HB VAL 8 -0.198 -1.469 5.612 65 HG11 VAL 8 1HG1 VAL 8 -0.817 -0.269 7.676 66 HG12 VAL 8 2HG1 VAL 8 -2.133 -0.325 6.504 67 HG13 VAL 8 3HG1 VAL 8 -1.198 1.156 6.710 68 HG21 VAL 8 3HG2 VAL 8 -1.104 1.072 4.382 69 HG22 VAL 8 1HG2 VAL 8 -1.253 -0.587 3.802 70 HG23 VAL 8 2HG2 VAL 8 0.285 0.264 3.656 71 H LEU 9 H LEU 9 0.459 0.697 8.292 72 HA LEU 9 HA LEU 9 0.058 3.464 7.945 73 HB2 LEU 9 2HB LEU 9 -0.564 3.509 10.156 74 HB3 LEU 9 1HB LEU 9 -0.798 1.814 9.782 75 HG LEU 9 HG LEU 9 1.579 1.476 10.712 76 HD11 LEU 9 1HD1 LEU 9 1.387 4.278 10.940 77 HD12 LEU 9 2HD1 LEU 9 2.695 3.227 11.484 78 HD13 LEU 9 3HD1 LEU 9 1.369 3.623 12.578 79 HD21 LEU 9 3HD2 LEU 9 0.662 1.565 13.087 80 HD22 LEU 9 1HD2 LEU 9 -0.220 0.578 11.921 81 HD23 LEU 9 2HD2 LEU 9 -0.829 2.173 12.365 82 H GLU 10 H GLU 10 2.747 1.631 9.355 83 HA GLU 10 HA GLU 10 4.280 3.867 10.121 84 HB2 GLU 10 2HB GLU 10 6.071 2.334 10.482 85 HB3 GLU 10 1HB GLU 10 4.587 1.507 10.937 86 HG2 GLU 10 2HG GLU 10 5.068 -0.139 9.547 87 HG3 GLU 10 1HG GLU 10 5.064 0.990 8.192 88 H VAL 11 H VAL 11 3.991 2.055 7.175 89 HA VAL 11 HA VAL 11 6.250 2.920 5.821 90 HB VAL 11 HB VAL 11 3.677 1.782 5.055 91 HG11 VAL 11 1HG1 VAL 11 3.929 3.757 3.548 92 HG12 VAL 11 2HG1 VAL 11 3.879 2.202 2.718 93 HG13 VAL 11 3HG1 VAL 11 5.419 3.029 2.949 94 HG21 VAL 11 3HG2 VAL 11 6.046 0.940 3.615 95 HG22 VAL 11 1HG2 VAL 11 4.938 0.001 4.616 96 HG23 VAL 11 2HG2 VAL 11 6.262 0.890 5.366 97 H VAL 12 H VAL 12 2.972 4.214 5.630 98 HA VAL 12 HA VAL 12 3.691 6.451 4.033 99 HB VAL 12 HB VAL 12 1.486 7.042 4.056 100 HG11 VAL 12 1HG1 VAL 12 0.815 4.391 5.192 101 HG12 VAL 12 2HG1 VAL 12 1.904 4.422 3.805 102 HG13 VAL 12 3HG1 VAL 12 0.300 5.144 3.682 103 HG21 VAL 12 3HG2 VAL 12 1.572 7.586 6.514 104 HG22 VAL 12 1HG2 VAL 12 1.078 5.921 6.821 105 HG23 VAL 12 2HG2 VAL 12 0.016 7.005 5.921 106 H LYS 13 H LYS 13 3.024 6.059 7.498 107 HA LYS 13 HA LYS 13 3.229 8.702 8.293 108 HB2 LYS 13 2HB LYS 13 3.803 6.099 9.662 109 HB3 LYS 13 1HB LYS 13 4.167 7.613 10.479 110 HG2 LYS 13 2HG LYS 13 1.865 6.424 10.820 111 HG3 LYS 13 1HG LYS 13 1.965 8.188 10.707 112 HD2 LYS 13 2HD LYS 13 1.478 7.963 8.257 113 HD3 LYS 13 1HD LYS 13 1.168 6.249 8.539 114 HE2 LYS 13 2HE LYS 13 -0.332 7.548 10.478 115 HE3 LYS 13 1HE LYS 13 -0.525 8.546 9.038 116 HZ1 LYS 13 3HZ LYS 13 -1.612 5.970 9.615 117 HZ2 LYS 13 1HZ LYS 13 -0.797 5.984 8.132 118 HZ3 LYS 13 2HZ LYS 13 -2.054 7.080 8.417 119 H ASN 14 H ASN 14 5.812 6.293 7.933 120 HA ASN 14 HA ASN 14 7.817 8.266 8.560 121 HB2 ASN 14 2HB ASN 14 8.251 5.413 7.683 122 HB3 ASN 14 1HB ASN 14 9.401 6.464 8.504 123 HD21 ASN 14 1HD2 ASN 14 7.339 3.965 8.925 124 HD22 ASN 14 2HD2 ASN 14 7.035 4.113 10.619 125 H PHE 15 H PHE 15 6.105 7.511 5.850 126 HA PHE 15 HA PHE 15 8.271 7.705 3.968 127 HB2 PHE 15 2HB PHE 15 5.552 6.811 3.892 128 HB3 PHE 15 1HB PHE 15 5.798 8.021 2.639 129 HD1 PHE 15 2HD PHE 15 7.627 5.082 4.045 130 HD2 PHE 15 1HD PHE 15 6.394 7.233 0.589 131 HE1 PHE 15 2HE PHE 15 8.694 3.387 2.615 132 HE2 PHE 15 1HE PHE 15 7.459 5.545 -0.849 133 HZ PHE 15 HZ PHE 15 8.612 3.617 0.164 134 H GLU 16 H GLU 16 6.642 9.881 5.814 135 HA GLU 16 HA GLU 16 6.876 12.184 5.812 136 HB2 GLU 16 2HB GLU 16 7.993 13.320 4.141 137 HB3 GLU 16 1HB GLU 16 8.670 11.712 3.959 138 HG2 GLU 16 2HG GLU 16 6.463 11.653 2.339 139 HG3 GLU 16 1HG GLU 16 7.078 13.285 2.132 140 H LYS 17 H LYS 17 4.546 10.517 5.190 141 HA LYS 17 HA LYS 17 3.016 12.155 3.366 142 HB2 LYS 17 2HB LYS 17 1.715 9.915 4.791 143 HB3 LYS 17 1HB LYS 17 1.593 10.396 3.109 144 HG2 LYS 17 2HG LYS 17 4.175 9.271 4.032 145 HG3 LYS 17 1HG LYS 17 2.807 8.172 3.853 146 HD2 LYS 17 2HD LYS 17 3.236 10.070 1.649 147 HD3 LYS 17 1HD LYS 17 4.478 8.831 1.846 148 HE2 LYS 17 2HE LYS 17 1.680 7.912 2.005 149 HE3 LYS 17 1HE LYS 17 2.222 8.469 0.423 150 HZ1 LYS 17 3HZ LYS 17 3.444 6.649 0.143 151 HZ2 LYS 17 1HZ LYS 17 2.624 5.988 1.467 152 HZ3 LYS 17 2HZ LYS 17 4.121 6.743 1.690 153 H VAL 18 H VAL 18 2.917 11.100 6.747 154 HA VAL 18 HA VAL 18 2.052 13.520 7.788 155 HB VAL 18 HB VAL 18 -0.353 12.687 8.398 156 HG11 VAL 18 1HG1 VAL 18 0.692 14.480 6.551 157 HG12 VAL 18 2HG1 VAL 18 -0.972 14.413 7.135 158 HG13 VAL 18 3HG1 VAL 18 -0.523 13.574 5.650 159 HG21 VAL 18 3HG2 VAL 18 -1.415 11.237 6.938 160 HG22 VAL 18 1HG2 VAL 18 0.180 10.503 7.099 161 HG23 VAL 18 2HG2 VAL 18 -0.207 11.464 5.672 162 H ASP 19 H ASP 19 1.988 13.482 10.009 163 HA ASP 19 HA ASP 19 3.121 11.245 11.302 164 HB2 ASP 19 2HB ASP 19 2.602 13.959 11.932 165 HB3 ASP 19 1HB ASP 19 1.864 12.985 13.198 166 H ALA 20 H ALA 20 2.230 9.573 12.366 167 HA ALA 20 HA ALA 20 -0.458 8.887 11.984 168 HB1 ALA 20 1HB ALA 20 0.818 7.617 14.289 169 HB2 ALA 20 2HB ALA 20 1.774 7.557 12.808 170 HB3 ALA 20 3HB ALA 20 0.139 6.900 12.828 171 H SER 21 H SER 21 1.090 10.761 14.430 172 HA SER 21 HA SER 21 -0.863 10.508 16.455 173 HB2 SER 21 2HB SER 21 0.800 12.984 16.130 174 HB3 SER 21 1HB SER 21 0.317 12.156 17.611 175 HG SER 21 HG SER 21 2.597 11.930 16.475 176 H LYS 22 H LYS 22 -0.714 12.321 13.541 177 HA LYS 22 HA LYS 22 -2.876 14.085 14.358 178 HB2 LYS 22 2HB LYS 22 -2.421 15.372 12.423 179 HB3 LYS 22 1HB LYS 22 -0.854 14.921 13.081 180 HG2 LYS 22 2HG LYS 22 -1.469 12.879 11.307 181 HG3 LYS 22 1HG LYS 22 -2.006 14.352 10.496 182 HD2 LYS 22 2HD LYS 22 0.743 13.669 11.507 183 HD3 LYS 22 1HD LYS 22 0.247 14.061 9.859 184 HE2 LYS 22 2HE LYS 22 -0.524 16.281 11.300 185 HE3 LYS 22 1HE LYS 22 1.001 15.819 12.056 186 HZ1 LYS 22 3HZ LYS 22 0.736 17.279 9.782 187 HZ2 LYS 22 1HZ LYS 22 1.103 15.736 9.191 188 HZ3 LYS 22 2HZ LYS 22 2.147 16.493 10.287 189 H VAL 23 H VAL 23 -2.383 11.145 12.739 190 HA VAL 23 HA VAL 23 -4.584 11.273 10.936 191 HB VAL 23 HB VAL 23 -4.237 8.928 10.553 192 HG11 VAL 23 1HG1 VAL 23 -1.462 9.947 11.017 193 HG12 VAL 23 2HG1 VAL 23 -2.507 10.706 9.818 194 HG13 VAL 23 3HG1 VAL 23 -2.093 8.998 9.672 195 HG21 VAL 23 3HG2 VAL 23 -3.727 7.569 12.233 196 HG22 VAL 23 1HG2 VAL 23 -3.359 8.946 13.273 197 HG23 VAL 23 2HG2 VAL 23 -2.099 8.245 12.258 198 H THR 24 H THR 24 -6.676 11.034 11.366 199 HA THR 24 HA THR 24 -7.449 9.824 13.901 200 HB THR 24 HB THR 24 -7.937 12.325 13.422 201 HG1 THR 24 1HG THR 24 -10.340 11.312 14.129 202 HG21 THR 24 3HG2 THR 24 -10.144 12.695 12.386 203 HG22 THR 24 1HG2 THR 24 -10.126 11.024 11.824 204 HG23 THR 24 2HG2 THR 24 -8.913 12.164 11.240 205 HA PRO 25 HA PRO 25 -9.817 6.640 12.024 206 HB2 PRO 25 2HB PRO 25 -12.256 7.665 13.382 207 HB3 PRO 25 1HB PRO 25 -11.526 6.057 13.442 208 HG2 PRO 25 2HG PRO 25 -11.306 7.733 15.503 209 HG3 PRO 25 1HG PRO 25 -9.956 6.685 15.029 210 HD2 PRO 25 2HD PRO 25 -10.348 9.608 14.551 211 HD3 PRO 25 1HD PRO 25 -8.860 8.716 14.932 212 H GLU 26 H GLU 26 -11.354 9.823 12.034 213 HA GLU 26 HA GLU 26 -12.701 9.171 9.527 214 HB2 GLU 26 2HB GLU 26 -13.954 11.332 9.985 215 HB3 GLU 26 1HB GLU 26 -14.272 9.998 11.085 216 HG2 GLU 26 2HG GLU 26 -12.742 10.979 12.717 217 HG3 GLU 26 1HG GLU 26 -12.431 12.319 11.617 218 H SER 27 H SER 27 -9.824 10.225 10.313 219 HA SER 27 HA SER 27 -9.494 12.729 9.099 220 HB2 SER 27 2HB SER 27 -7.547 12.309 10.160 221 HB3 SER 27 1HB SER 27 -7.756 10.562 10.036 222 HG SER 27 HG SER 27 -6.392 12.307 8.387 223 H HIS 28 H HIS 28 -9.329 13.377 7.041 224 HA HIS 28 HA HIS 28 -9.753 11.429 4.960 225 HB2 HIS 28 2HB HIS 28 -10.638 14.031 5.354 226 HB3 HIS 28 1HB HIS 28 -9.473 14.152 4.041 227 HD1 HIS 28 1HD HIS 28 -12.850 12.864 4.860 228 HD2 HIS 28 2HD HIS 28 -10.183 12.757 1.679 229 HE1 HIS 28 1HE HIS 28 -14.184 12.040 2.895 230 HE2 HIS 28 2HE HIS 28 -12.524 11.888 1.005 231 H PHE 29 H PHE 29 -8.442 11.212 3.117 232 HA PHE 29 HA PHE 29 -5.659 11.471 3.647 233 HB2 PHE 29 2HB PHE 29 -7.090 9.736 2.165 234 HB3 PHE 29 1HB PHE 29 -6.537 10.820 0.894 235 HD1 PHE 29 2HD PHE 29 -4.522 10.262 3.888 236 HD2 PHE 29 1HD PHE 29 -5.200 9.086 -0.147 237 HE1 PHE 29 2HE PHE 29 -2.352 9.106 3.865 238 HE2 PHE 29 1HE PHE 29 -3.027 7.927 -0.175 239 HZ PHE 29 HZ PHE 29 -1.603 7.937 1.833 240 H VAL 30 H VAL 30 -5.434 11.935 0.544 241 HA VAL 30 HA VAL 30 -4.159 14.180 0.274 242 HB VAL 30 HB VAL 30 -6.512 13.931 -1.561 243 HG11 VAL 30 1HG1 VAL 30 -4.663 14.422 -3.236 244 HG12 VAL 30 2HG1 VAL 30 -3.642 14.779 -1.842 245 HG13 VAL 30 3HG1 VAL 30 -5.102 15.725 -2.132 246 HG21 VAL 30 3HG2 VAL 30 -4.196 12.040 -1.286 247 HG22 VAL 30 1HG2 VAL 30 -5.044 12.250 -2.818 248 HG23 VAL 30 2HG2 VAL 30 -5.918 11.673 -1.398 249 H LYS 31 H LYS 31 -7.605 14.128 0.821 250 HA LYS 31 HA LYS 31 -8.020 16.915 0.612 251 HB2 LYS 31 2HB LYS 31 -9.606 14.686 1.860 252 HB3 LYS 31 1HB LYS 31 -10.146 16.358 1.933 253 HG2 LYS 31 2HG LYS 31 -10.636 16.445 -0.286 254 HG3 LYS 31 1HG LYS 31 -9.413 15.252 -0.720 255 HD2 LYS 31 2HD LYS 31 -11.630 14.325 -1.040 256 HD3 LYS 31 1HD LYS 31 -10.810 13.489 0.279 257 HE2 LYS 31 2HE LYS 31 -12.103 14.568 1.913 258 HE3 LYS 31 1HE LYS 31 -12.651 15.805 0.783 259 HZ1 LYS 31 3HZ LYS 31 -13.352 13.095 0.056 260 HZ2 LYS 31 1HZ LYS 31 -14.292 14.503 0.028 261 HZ3 LYS 31 2HZ LYS 31 -14.083 13.653 1.475 262 H ASP 32 H ASP 32 -7.683 14.791 3.445 263 HA ASP 32 HA ASP 32 -7.552 17.074 5.196 264 HB2 ASP 32 2HB ASP 32 -8.397 14.435 5.505 265 HB3 ASP 32 1HB ASP 32 -6.924 14.548 6.462 266 H LEU 33 H LEU 33 -5.405 15.652 3.224 267 HA LEU 33 HA LEU 33 -3.152 16.706 3.399 268 HB2 LEU 33 2HB LEU 33 -3.455 15.494 6.135 269 HB3 LEU 33 1HB LEU 33 -1.878 15.856 5.460 270 HG LEU 33 HG LEU 33 -3.883 18.050 5.481 271 HD11 LEU 33 1HD1 LEU 33 -3.076 16.618 7.863 272 HD12 LEU 33 2HD1 LEU 33 -4.274 17.897 7.664 273 HD13 LEU 33 3HD1 LEU 33 -2.577 18.308 7.910 274 HD21 LEU 33 3HD2 LEU 33 -1.164 18.487 6.456 275 HD22 LEU 33 1HD2 LEU 33 -2.074 19.340 5.211 276 HD23 LEU 33 2HD2 LEU 33 -1.238 17.838 4.819 277 H GLY 34 H GLY 34 -4.100 14.728 1.880 278 HA2 GLY 34 2HA GLY 34 -3.076 12.146 2.422 279 HA3 GLY 34 1HA GLY 34 -3.571 12.742 0.848 280 H LEU 35 H LEU 35 -1.559 11.091 0.740 281 HA LEU 35 HA LEU 35 0.960 12.509 0.917 282 HB2 LEU 35 2HB LEU 35 2.006 10.423 0.467 283 HB3 LEU 35 1HB LEU 35 0.717 10.126 1.620 284 HG LEU 35 HG LEU 35 -0.565 9.660 -0.743 285 HD11 LEU 35 1HD1 LEU 35 0.820 9.169 -2.398 286 HD12 LEU 35 2HD1 LEU 35 1.671 8.003 -1.386 287 HD13 LEU 35 3HD1 LEU 35 2.169 9.694 -1.392 288 HD21 LEU 35 3HD2 LEU 35 -0.889 7.654 0.189 289 HD22 LEU 35 1HD2 LEU 35 0.073 8.273 1.531 290 HD23 LEU 35 2HD2 LEU 35 0.838 7.309 0.267 291 H ASN 36 H ASN 36 2.424 12.654 -0.897 292 HA ASN 36 HA ASN 36 1.373 13.842 -3.145 293 HB2 ASN 36 2HB ASN 36 3.742 14.003 -2.449 294 HB3 ASN 36 1HB ASN 36 3.992 12.341 -2.966 295 HD21 ASN 36 1HD2 ASN 36 1.971 14.619 -4.638 296 HD22 ASN 36 2HD2 ASN 36 2.955 14.764 -6.049 297 H SER 37 H SER 37 1.267 13.159 -5.373 298 HA SER 37 HA SER 37 -0.147 10.787 -5.764 299 HB2 SER 37 2HB SER 37 0.479 13.040 -7.294 300 HB3 SER 37 1HB SER 37 1.149 11.679 -8.194 301 H LEU 38 H LEU 38 3.143 11.590 -6.795 302 HA LEU 38 HA LEU 38 3.764 8.989 -7.689 303 HB2 LEU 38 2HB LEU 38 5.883 9.766 -8.127 304 HB3 LEU 38 1HB LEU 38 4.956 11.242 -8.164 305 HG LEU 38 HG LEU 38 7.130 10.459 -6.418 306 HD11 LEU 38 1HD1 LEU 38 5.913 13.153 -6.935 307 HD12 LEU 38 2HD1 LEU 38 7.067 12.374 -8.017 308 HD13 LEU 38 3HD1 LEU 38 7.546 12.795 -6.372 309 HD21 LEU 38 3HD2 LEU 38 5.796 10.301 -4.578 310 HD22 LEU 38 1HD2 LEU 38 4.553 11.355 -5.255 311 HD23 LEU 38 2HD2 LEU 38 6.044 12.046 -4.612 312 H ASP 39 H ASP 39 3.508 10.324 -4.580 313 HA ASP 39 HA ASP 39 5.276 8.432 -3.299 314 HB2 ASP 39 2HB ASP 39 5.141 10.557 -2.228 315 HB3 ASP 39 1HB ASP 39 3.381 10.534 -2.252 316 H VAL 40 H VAL 40 1.910 8.818 -4.025 317 HA VAL 40 HA VAL 40 0.951 6.756 -2.310 318 HB VAL 40 HB VAL 40 -0.376 8.675 -3.512 319 HG11 VAL 40 1HG1 VAL 40 -1.087 6.544 -5.428 320 HG12 VAL 40 2HG1 VAL 40 0.344 7.514 -5.754 321 HG13 VAL 40 3HG1 VAL 40 -1.232 8.290 -5.585 322 HG21 VAL 40 3HG2 VAL 40 -1.945 7.677 -2.295 323 HG22 VAL 40 1HG2 VAL 40 -1.076 6.143 -2.374 324 HG23 VAL 40 2HG2 VAL 40 -2.230 6.571 -3.639 325 H VAL 41 H VAL 41 1.948 6.943 -5.684 326 HA VAL 41 HA VAL 41 1.180 4.351 -6.455 327 HB VAL 41 HB VAL 41 2.487 4.637 -8.388 328 HG11 VAL 41 1HG1 VAL 41 1.829 6.743 -9.215 329 HG12 VAL 41 2HG1 VAL 41 1.904 7.483 -7.615 330 HG13 VAL 41 3HG1 VAL 41 0.630 6.322 -7.991 331 HG21 VAL 41 3HG2 VAL 41 4.095 6.727 -6.922 332 HG22 VAL 41 1HG2 VAL 41 4.342 6.197 -8.585 333 HG23 VAL 41 2HG2 VAL 41 4.620 5.076 -7.253 334 H GLU 42 H GLU 42 4.325 5.621 -5.351 335 HA GLU 42 HA GLU 42 5.715 3.200 -5.412 336 HB2 GLU 42 2HB GLU 42 7.417 4.429 -4.621 337 HB3 GLU 42 1HB GLU 42 6.318 5.797 -4.730 338 HG2 GLU 42 2HG GLU 42 7.308 5.821 -2.573 339 HG3 GLU 42 1HG GLU 42 5.621 5.344 -2.388 340 H VAL 43 H VAL 43 3.820 4.692 -2.856 341 HA VAL 43 HA VAL 43 4.316 2.785 -0.858 342 HB VAL 43 HB VAL 43 3.331 4.624 0.078 343 HG11 VAL 43 1HG1 VAL 43 2.141 6.156 -1.019 344 HG12 VAL 43 2HG1 VAL 43 0.958 4.969 -1.568 345 HG13 VAL 43 3HG1 VAL 43 2.464 5.185 -2.456 346 HG21 VAL 43 3HG2 VAL 43 2.015 2.416 0.485 347 HG22 VAL 43 1HG2 VAL 43 0.748 3.259 -0.395 348 HG23 VAL 43 2HG2 VAL 43 1.390 3.951 1.090 349 H VAL 44 H VAL 44 1.733 3.023 -3.249 350 HA VAL 44 HA VAL 44 0.233 0.812 -2.433 351 HB VAL 44 HB VAL 44 -0.872 0.879 -4.491 352 HG11 VAL 44 1HG1 VAL 44 -0.250 3.284 -3.199 353 HG12 VAL 44 2HG1 VAL 44 -1.635 2.947 -4.237 354 HG13 VAL 44 3HG1 VAL 44 -0.160 3.625 -4.927 355 HG21 VAL 44 3HG2 VAL 44 1.108 2.463 -5.995 356 HG22 VAL 44 1HG2 VAL 44 0.065 1.145 -6.527 357 HG23 VAL 44 2HG2 VAL 44 1.556 0.793 -5.654 358 H PHE 45 H PHE 45 3.145 1.070 -4.340 359 HA PHE 45 HA PHE 45 3.160 -1.627 -5.250 360 HB2 PHE 45 2HB PHE 45 5.430 0.359 -5.013 361 HB3 PHE 45 1HB PHE 45 5.494 -1.161 -5.897 362 HD1 PHE 45 1HD PHE 45 2.707 -1.017 -7.081 363 HD2 PHE 45 2HD PHE 45 5.840 1.848 -6.798 364 HE1 PHE 45 1HE PHE 45 1.850 0.112 -9.092 365 HE2 PHE 45 2HE PHE 45 4.990 2.983 -8.808 366 HZ PHE 45 HZ PHE 45 2.992 2.116 -9.957 367 H ALA 46 H ALA 46 4.058 0.003 -2.365 368 HA ALA 46 HA ALA 46 5.846 -1.972 -1.363 369 HB1 ALA 46 1HB ALA 46 4.803 0.576 -0.488 370 HB2 ALA 46 2HB ALA 46 6.325 -0.216 -0.081 371 HB3 ALA 46 3HB ALA 46 4.863 -0.596 0.828 372 H ILE 47 H ILE 47 2.627 -0.987 -0.298 373 HA ILE 47 HA ILE 47 2.106 -3.127 1.393 374 HB ILE 47 HB ILE 47 -0.385 -2.585 0.443 375 HG12 ILE 47 2HG1 ILE 47 1.076 -0.880 -1.063 376 HG13 ILE 47 1HG1 ILE 47 -0.581 -0.557 -0.564 377 HG21 ILE 47 1HG2 ILE 47 0.905 -0.647 2.316 378 HG22 ILE 47 2HG2 ILE 47 0.752 -2.346 2.765 379 HG23 ILE 47 3HG2 ILE 47 -0.689 -1.397 2.399 380 HD11 ILE 47 3HD1 ILE 47 0.284 0.710 1.362 381 HD12 ILE 47 1HD1 ILE 47 0.782 1.385 -0.189 382 HD13 ILE 47 2HD1 ILE 47 1.924 0.442 0.769 383 H GLU 48 H GLU 48 1.455 -2.770 -2.074 384 HA GLU 48 HA GLU 48 0.052 -5.129 -2.497 385 HB2 GLU 48 2HB GLU 48 0.359 -3.341 -4.190 386 HB3 GLU 48 1HB GLU 48 2.037 -3.832 -4.373 387 HG2 GLU 48 2HG GLU 48 -0.238 -5.726 -4.848 388 HG3 GLU 48 1HG GLU 48 0.377 -4.655 -6.108 389 H GLN 49 H GLN 49 3.476 -4.529 -2.204 390 HA GLN 49 HA GLN 49 4.452 -7.011 -3.059 391 HB2 GLN 49 2HB GLN 49 5.485 -4.891 -1.207 392 HB3 GLN 49 1HB GLN 49 6.338 -6.424 -1.334 393 HG2 GLN 49 2HG GLN 49 6.052 -4.238 -3.312 394 HG3 GLN 49 1HG GLN 49 7.455 -5.224 -2.904 395 HE21 GLN 49 1HE2 GLN 49 5.802 -4.503 -5.425 396 HE22 GLN 49 2HE2 GLN 49 5.658 -6.022 -6.235 397 H GLU 50 H GLU 50 3.427 -5.891 0.147 398 HA GLU 50 HA GLU 50 3.548 -8.646 1.081 399 HB2 GLU 50 2HB GLU 50 4.856 -7.080 2.417 400 HB3 GLU 50 1HB GLU 50 3.431 -6.079 2.660 401 HG2 GLU 50 2HG GLU 50 3.085 -7.204 4.534 402 HG3 GLU 50 1HG GLU 50 2.651 -8.590 3.532 403 H PHE 51 H PHE 51 1.429 -7.711 -0.588 404 HA PHE 51 HA PHE 51 -0.807 -8.191 1.200 405 HB2 PHE 51 2HB PHE 51 -0.354 -5.796 -0.404 406 HB3 PHE 51 1HB PHE 51 -1.921 -6.537 -0.701 407 HD1 PHE 51 2HD PHE 51 -3.395 -7.032 1.324 408 HD2 PHE 51 1HD PHE 51 -0.019 -4.443 1.454 409 HE1 PHE 51 2HE PHE 51 -4.282 -5.983 3.365 410 HE2 PHE 51 1HE PHE 51 -0.900 -3.389 3.495 411 HZ PHE 51 HZ PHE 51 -3.035 -4.158 4.453 412 H ILE 52 H ILE 52 0.840 -9.020 -1.583 413 HA ILE 52 HA ILE 52 0.399 -10.325 -3.390 414 HB ILE 52 HB ILE 52 -1.231 -12.198 -2.989 415 HG12 ILE 52 2HG1 ILE 52 -1.902 -12.478 -0.565 416 HG13 ILE 52 1HG1 ILE 52 -1.509 -10.782 -0.367 417 HG21 ILE 52 1HG2 ILE 52 1.297 -11.985 -2.268 418 HG22 ILE 52 2HG2 ILE 52 0.331 -13.399 -1.848 419 HG23 ILE 52 3HG2 ILE 52 0.596 -12.125 -0.657 420 HD11 ILE 52 3HD1 ILE 52 -3.619 -11.945 -2.155 421 HD12 ILE 52 1HD1 ILE 52 -3.174 -10.239 -2.115 422 HD13 ILE 52 2HD1 ILE 52 -3.866 -11.002 -0.684 423 H LEU 53 H LEU 53 -0.876 -7.845 -3.490 424 HA LEU 53 HA LEU 53 -2.736 -8.263 -5.549 425 HB2 LEU 53 2HB LEU 53 -3.979 -8.773 -3.250 426 HB3 LEU 53 1HB LEU 53 -4.150 -7.028 -3.241 427 HG LEU 53 HG LEU 53 -4.903 -8.134 -5.810 428 HD11 LEU 53 1HD1 LEU 53 -6.105 -9.905 -5.245 429 HD12 LEU 53 2HD1 LEU 53 -7.082 -8.897 -4.176 430 HD13 LEU 53 3HD1 LEU 53 -5.641 -9.703 -3.556 431 HD21 LEU 53 3HD2 LEU 53 -6.802 -6.823 -3.933 432 HD22 LEU 53 1HD2 LEU 53 -6.577 -6.585 -5.666 433 HD23 LEU 53 2HD2 LEU 53 -5.426 -5.890 -4.525 434 H ASP 54 H ASP 54 -2.878 -6.454 -6.760 435 HA ASP 54 HA ASP 54 -1.393 -4.154 -5.929 436 HB2 ASP 54 2HB ASP 54 -3.013 -4.368 -8.455 437 HB3 ASP 54 1HB ASP 54 -1.569 -3.401 -8.161 438 H ILE 55 H ILE 55 -2.149 -2.095 -5.542 439 HA ILE 55 HA ILE 55 -5.047 -1.856 -5.188 440 HB ILE 55 HB ILE 55 -2.849 -0.498 -3.634 441 HG12 ILE 55 2HG1 ILE 55 -2.996 -2.198 -2.186 442 HG13 ILE 55 1HG1 ILE 55 -4.738 -1.976 -2.054 443 HG21 ILE 55 1HG2 ILE 55 -4.592 1.074 -3.774 444 HG22 ILE 55 2HG2 ILE 55 -4.811 0.278 -2.216 445 HG23 ILE 55 3HG2 ILE 55 -5.834 -0.163 -3.583 446 HD11 ILE 55 3HD1 ILE 55 -3.204 -3.791 -3.863 447 HD12 ILE 55 1HD1 ILE 55 -4.855 -3.309 -4.248 448 HD13 ILE 55 2HD1 ILE 55 -4.516 -4.171 -2.747 449 HA PRO 56 HA PRO 56 -3.109 1.925 -7.551 450 HB2 PRO 56 2HB PRO 56 -2.217 1.040 -9.942 451 HB3 PRO 56 1HB PRO 56 -1.173 1.128 -8.519 452 HG2 PRO 56 2HG PRO 56 -2.599 -1.237 -9.678 453 HG3 PRO 56 1HG PRO 56 -0.937 -1.121 -9.071 454 HD2 PRO 56 2HD PRO 56 -2.968 -2.172 -7.610 455 HD3 PRO 56 1HD PRO 56 -1.592 -1.325 -6.876 456 H ASP 57 H ASP 57 -3.549 2.197 -10.280 457 HA ASP 57 HA ASP 57 -5.211 2.589 -11.781 458 HB2 ASP 57 2HB ASP 57 -6.415 0.029 -10.714 459 HB3 ASP 57 1HB ASP 57 -6.739 0.775 -12.276 460 H HIS 58 H HIS 58 -7.782 2.614 -11.942 461 HA HIS 58 HA HIS 58 -8.764 4.599 -10.396 462 HB2 HIS 58 2HB HIS 58 -10.400 2.251 -11.381 463 HB3 HIS 58 1HB HIS 58 -11.021 3.844 -10.963 464 HD1 HIS 58 1HD HIS 58 -11.933 3.759 -13.497 465 HD2 HIS 58 2HD HIS 58 -7.817 4.075 -13.027 466 HE1 HIS 58 1HE HIS 58 -11.060 4.532 -15.725 467 HE2 HIS 58 2HE HIS 58 -8.559 4.636 -15.440 468 H ASP 59 H ASP 59 -8.233 1.350 -9.405 469 HA ASP 59 HA ASP 59 -10.040 1.160 -7.267 470 HB2 ASP 59 2HB ASP 59 -7.732 -0.312 -8.244 471 HB3 ASP 59 1HB ASP 59 -7.789 -0.284 -6.484 472 H ALA 60 H ALA 60 -6.693 2.331 -7.392 473 HA ALA 60 HA ALA 60 -6.686 3.010 -4.601 474 HB1 ALA 60 1HB ALA 60 -4.732 2.900 -6.762 475 HB2 ALA 60 2HB ALA 60 -4.528 2.614 -5.034 476 HB3 ALA 60 3HB ALA 60 -4.498 4.261 -5.666 477 H GLU 61 H GLU 61 -7.467 4.559 -7.569 478 HA GLU 61 HA GLU 61 -7.152 7.244 -6.648 479 HB2 GLU 61 2HB GLU 61 -8.992 6.626 -8.899 480 HB3 GLU 61 1HB GLU 61 -7.782 7.893 -8.754 481 HG2 GLU 61 2HG GLU 61 -7.354 4.998 -9.420 482 HG3 GLU 61 1HG GLU 61 -7.032 6.409 -10.428 483 H LYS 62 H LYS 62 -9.784 4.927 -6.802 484 HA LYS 62 HA LYS 62 -11.834 6.780 -6.120 485 HB2 LYS 62 2HB LYS 62 -13.287 4.929 -6.042 486 HB3 LYS 62 1HB LYS 62 -12.113 4.529 -7.287 487 HG2 LYS 62 2HG LYS 62 -11.011 2.984 -5.902 488 HG3 LYS 62 1HG LYS 62 -11.817 3.588 -4.453 489 HD2 LYS 62 2HD LYS 62 -12.743 1.665 -6.469 490 HD3 LYS 62 1HD LYS 62 -13.182 1.826 -4.768 491 HE2 LYS 62 2HE LYS 62 -15.141 2.289 -6.014 492 HE3 LYS 62 1HE LYS 62 -14.541 3.841 -5.429 493 HZ1 LYS 62 3HZ LYS 62 -13.512 3.094 -8.012 494 HZ2 LYS 62 1HZ LYS 62 -14.184 4.559 -7.498 495 HZ3 LYS 62 2HZ LYS 62 -15.192 3.293 -7.990 496 H ILE 63 H ILE 63 -9.295 6.062 -4.358 497 HA ILE 63 HA ILE 63 -10.740 5.741 -1.836 498 HB ILE 63 HB ILE 63 -8.561 4.359 -2.711 499 HG12 ILE 63 2HG1 ILE 63 -8.514 4.612 0.182 500 HG13 ILE 63 1HG1 ILE 63 -10.163 4.502 -0.427 501 HG21 ILE 63 1HG2 ILE 63 -7.577 6.613 -0.973 502 HG22 ILE 63 2HG2 ILE 63 -7.053 6.208 -2.607 503 HG23 ILE 63 3HG2 ILE 63 -6.674 5.127 -1.266 504 HD11 ILE 63 3HD1 ILE 63 -7.998 2.494 -0.432 505 HD12 ILE 63 1HD1 ILE 63 -9.091 2.507 -1.816 506 HD13 ILE 63 2HD1 ILE 63 -9.733 2.299 -0.187 507 H GLN 64 H GLN 64 -10.999 7.481 -0.602 508 HA GLN 64 HA GLN 64 -9.134 9.700 -0.908 509 HB2 GLN 64 2HB GLN 64 -12.030 9.900 -0.095 510 HB3 GLN 64 1HB GLN 64 -10.932 11.236 -0.408 511 HG2 GLN 64 2HG GLN 64 -11.816 11.255 -2.447 512 HG3 GLN 64 1HG GLN 64 -10.813 9.836 -2.749 513 HE21 GLN 64 1HE2 GLN 64 -11.812 7.729 -2.235 514 HE22 GLN 64 2HE2 GLN 64 -13.498 7.531 -2.552 515 H SER 65 H SER 65 -10.964 7.712 1.300 516 HA SER 65 HA SER 65 -9.973 9.139 3.631 517 HB2 SER 65 2HB SER 65 -12.310 7.888 3.239 518 HB3 SER 65 1HB SER 65 -11.395 6.541 3.918 519 HG SER 65 HG SER 65 -12.374 8.776 5.139 520 H ILE 66 H ILE 66 -8.507 8.372 5.086 521 HA ILE 66 HA ILE 66 -6.494 6.638 4.122 522 HB ILE 66 HB ILE 66 -6.412 6.986 6.995 523 HG12 ILE 66 2HG1 ILE 66 -7.833 8.913 6.601 524 HG13 ILE 66 1HG1 ILE 66 -6.201 9.465 6.953 525 HG21 ILE 66 1HG2 ILE 66 -4.556 6.563 5.275 526 HG22 ILE 66 2HG2 ILE 66 -4.233 7.706 6.578 527 HG23 ILE 66 3HG2 ILE 66 -4.638 8.298 4.968 528 HD11 ILE 66 3HD1 ILE 66 -6.291 9.201 4.185 529 HD12 ILE 66 1HD1 ILE 66 -6.320 10.695 5.122 530 HD13 ILE 66 2HD1 ILE 66 -7.832 9.929 4.638 531 HA PRO 67 HA PRO 67 -8.282 3.619 7.514 532 HB2 PRO 67 2HB PRO 67 -10.937 3.975 8.050 533 HB3 PRO 67 1HB PRO 67 -9.642 4.696 9.011 534 HG2 PRO 67 2HG PRO 67 -11.303 5.923 6.846 535 HG3 PRO 67 1HG PRO 67 -10.797 6.616 8.398 536 HD2 PRO 67 2HD PRO 67 -9.563 7.235 6.083 537 HD3 PRO 67 1HD PRO 67 -8.683 7.134 7.621 538 H ASP 68 H ASP 68 -10.672 4.821 5.161 539 HA ASP 68 HA ASP 68 -11.829 2.344 4.553 540 HB2 ASP 68 2HB ASP 68 -11.672 4.986 3.167 541 HB3 ASP 68 1HB ASP 68 -12.273 3.597 2.267 542 H ALA 69 H ALA 69 -8.856 3.786 3.568 543 HA ALA 69 HA ALA 69 -8.405 2.218 1.254 544 HB1 ALA 69 1HB ALA 69 -6.341 3.234 1.116 545 HB2 ALA 69 2HB ALA 69 -6.165 3.339 2.867 546 HB3 ALA 69 3HB ALA 69 -7.270 4.426 2.025 547 H VAL 70 H VAL 70 -6.814 2.100 4.408 548 HA VAL 70 HA VAL 70 -5.620 -0.421 3.987 549 HB VAL 70 HB VAL 70 -5.983 1.369 6.331 550 HG11 VAL 70 1HG1 VAL 70 -6.611 -0.654 7.388 551 HG12 VAL 70 2HG1 VAL 70 -4.910 -0.399 7.780 552 HG13 VAL 70 3HG1 VAL 70 -5.364 -1.568 6.539 553 HG21 VAL 70 3HG2 VAL 70 -3.602 1.252 6.435 554 HG22 VAL 70 1HG2 VAL 70 -4.049 1.464 4.742 555 HG23 VAL 70 2HG2 VAL 70 -3.563 -0.125 5.335 556 H GLU 71 H GLU 71 -8.801 0.472 4.768 557 HA GLU 71 HA GLU 71 -9.560 -1.771 6.318 558 HB2 GLU 71 2HB GLU 71 -10.968 0.419 4.889 559 HB3 GLU 71 1HB GLU 71 -11.903 -1.022 5.265 560 HG2 GLU 71 2HG GLU 71 -11.078 -0.746 7.651 561 HG3 GLU 71 1HG GLU 71 -10.534 0.858 7.159 562 H TYR 72 H TYR 72 -10.096 -0.984 2.879 563 HA TYR 72 HA TYR 72 -11.274 -3.443 2.212 564 HB2 TYR 72 2HB TYR 72 -11.530 -2.502 0.192 565 HB3 TYR 72 1HB TYR 72 -10.802 -1.064 0.898 566 HD1 TYR 72 1HD TYR 72 -8.313 -0.730 0.658 567 HD2 TYR 72 2HD TYR 72 -10.439 -3.697 -1.523 568 HE1 TYR 72 1HE TYR 72 -6.453 -0.875 -0.940 569 HE2 TYR 72 2HE TYR 72 -8.584 -3.852 -3.131 570 HH TYR 72 HH TYR 72 -6.649 -2.950 -3.804 571 H ILE 73 H ILE 73 -7.951 -2.312 1.835 572 HA ILE 73 HA ILE 73 -6.946 -4.687 0.713 573 HB ILE 73 HB ILE 73 -4.712 -3.792 1.767 574 HG12 ILE 73 2HG1 ILE 73 -6.704 -1.669 2.362 575 HG13 ILE 73 1HG1 ILE 73 -5.242 -2.117 3.231 576 HG21 ILE 73 1HG2 ILE 73 -5.291 -1.825 -0.175 577 HG22 ILE 73 2HG2 ILE 73 -6.159 -3.291 -0.628 578 HG23 ILE 73 3HG2 ILE 73 -4.414 -3.341 -0.377 579 HD11 ILE 73 3HD1 ILE 73 -4.735 -0.027 2.408 580 HD12 ILE 73 1HD1 ILE 73 -5.562 -0.314 0.878 581 HD13 ILE 73 2HD1 ILE 73 -4.014 -1.095 1.203 582 H ALA 74 H ALA 74 -7.141 -3.550 4.027 583 HA ALA 74 HA ALA 74 -5.672 -5.524 5.303 584 HB1 ALA 74 1HB ALA 74 -7.884 -3.724 6.131 585 HB2 ALA 74 2HB ALA 74 -6.236 -3.849 6.749 586 HB3 ALA 74 3HB ALA 74 -7.444 -5.052 7.205 587 H GLN 75 H GLN 75 -9.010 -5.553 4.245 588 HA GLN 75 HA GLN 75 -9.563 -8.113 5.394 589 HB2 GLN 75 2HB GLN 75 -11.168 -6.596 3.337 590 HB3 GLN 75 1HB GLN 75 -11.736 -7.922 4.342 591 HG2 GLN 75 2HG GLN 75 -11.270 -5.077 5.032 592 HG3 GLN 75 1HG GLN 75 -12.591 -6.152 5.486 593 HE21 GLN 75 1HE2 GLN 75 -10.966 -4.380 7.139 594 HE22 GLN 75 2HE2 GLN 75 -10.247 -5.382 8.349 595 H ASN 76 H ASN 76 -8.187 -6.952 2.498 596 HA ASN 76 HA ASN 76 -8.879 -8.951 0.674 597 HB2 ASN 76 2HB ASN 76 -6.832 -6.873 0.884 598 HB3 ASN 76 1HB ASN 76 -6.285 -8.289 -0.003 599 HD21 ASN 76 1HD2 ASN 76 -8.346 -5.558 0.013 600 HD22 ASN 76 2HD2 ASN 76 -8.956 -5.724 -1.594 601 HA PRO 77 HA PRO 77 -5.128 -11.514 2.084 602 HB2 PRO 77 2HB PRO 77 -3.418 -10.594 3.924 603 HB3 PRO 77 1HB PRO 77 -3.336 -10.052 2.242 604 HG2 PRO 77 2HG PRO 77 -4.499 -8.671 4.624 605 HG3 PRO 77 1HG PRO 77 -3.545 -7.995 3.292 606 HD2 PRO 77 2HD PRO 77 -6.302 -7.873 3.479 607 HD3 PRO 77 1HD PRO 77 -5.383 -7.727 1.967 608 H MET 78 H MET 78 -6.772 -9.733 4.606 609 HA MET 78 HA MET 78 -6.384 -11.606 6.693 610 HB2 MET 78 2HB MET 78 -7.052 -9.648 7.627 611 HB3 MET 78 1HB MET 78 -8.040 -9.204 6.241 612 HG2 MET 78 2HG MET 78 -9.878 -10.389 7.005 613 HG3 MET 78 1HG MET 78 -8.906 -11.394 8.080 614 HE1 MET 78 3HE MET 78 -9.186 -10.160 11.252 615 HE2 MET 78 1HE MET 78 -9.431 -11.434 10.057 616 HE3 MET 78 2HE MET 78 -10.792 -10.444 10.584 617 H ALA 79 H ALA 79 -8.410 -11.578 3.944 618 HA ALA 79 HA ALA 79 -9.279 -14.151 4.076 619 HB1 ALA 79 1HB ALA 79 -10.686 -12.523 6.011 620 HB2 ALA 79 2HB ALA 79 -10.677 -14.274 5.804 621 HB3 ALA 79 3HB ALA 79 -11.790 -13.280 4.864 622 H LYS 80 H LYS 80 -8.691 -13.048 1.913 623 HA LYS 80 HA LYS 80 -10.014 -11.360 0.380 624 HB2 LYS 80 2HB LYS 80 -9.263 -14.190 -0.335 625 HB3 LYS 80 1HB LYS 80 -9.875 -13.053 -1.528 626 HG2 LYS 80 2HG LYS 80 -7.653 -12.721 -1.819 627 HG3 LYS 80 1HG LYS 80 -7.940 -11.541 -0.538 628 HD2 LYS 80 2HD LYS 80 -6.229 -12.586 0.485 629 HD3 LYS 80 1HD LYS 80 -7.456 -13.778 0.916 630 HE2 LYS 80 2HE LYS 80 -6.410 -15.341 -0.265 631 HE3 LYS 80 1HE LYS 80 -6.475 -14.334 -1.712 632 HZ1 LYS 80 3HZ LYS 80 -4.202 -14.925 -1.112 633 HZ2 LYS 80 1HZ LYS 80 -4.387 -14.176 0.395 634 HZ3 LYS 80 2HZ LYS 80 -4.439 -13.253 -1.021 635 H282 PNS 101 8H2 PNS 101 -0.178 14.840 -8.049 636 H281 PNS 101 9H2 PNS 101 -0.633 15.715 -9.513 637 H303 PNS 101 0H3 PNS 101 1.808 14.819 -7.606 638 H302 PNS 101 1H3 PNS 101 2.291 16.192 -8.604 639 H301 PNS 101 2H3 PNS 101 3.146 14.655 -8.745 640 H313 PNS 101 3H3 PNS 101 0.722 12.612 -9.598 641 H312 PNS 101 4H3 PNS 101 2.453 12.948 -9.614 642 H311 PNS 101 5H3 PNS 101 1.505 13.143 -11.088 643 H32 PNS 101 6H3 PNS 101 0.527 15.231 -11.432 644 H33 PNS 101 7H3 PNS 101 0.502 16.998 -9.872 645 H36 PNS 101 8H3 PNS 101 3.316 13.488 -11.409 646 H372 PNS 101 9H3 PNS 101 5.320 15.205 -11.266 647 H371 PNS 101 0H4 PNS 101 4.830 14.279 -9.847 648 H382 PNS 101 1H4 PNS 101 3.178 16.621 -10.195 649 H381 PNS 101 2H4 PNS 101 4.122 16.106 -8.798 650 H41 PNS 101 3H4 PNS 101 4.430 17.639 -11.971 651 H422 PNS 101 4H4 PNS 101 6.326 17.947 -13.180 652 H421 PNS 101 5H4 PNS 101 7.013 18.672 -11.727 653 H431 PNS 101 7H4 PNS 101 8.467 16.934 -11.959 654 H432 PNS 101 6H4 PNS 101 7.210 16.095 -11.038 655 H44 PNS 101 8H4 PNS 101 7.377 14.543 -12.980 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -5.506 -8.125 7.645 2 H2 MET 1 2HT MET 1 -5.783 -8.546 9.285 3 H3 MET 1 3HT MET 1 -4.359 -7.696 8.844 4 HA MET 1 HA MET 1 -6.456 -6.213 7.901 5 HB2 MET 1 2HB MET 1 -8.060 -6.150 9.526 6 HB3 MET 1 1HB MET 1 -7.557 -7.822 9.726 7 HG2 MET 1 2HG MET 1 -6.219 -7.278 11.612 8 HG3 MET 1 1HG MET 1 -6.418 -5.550 11.328 9 HE1 MET 1 2HE MET 1 -8.625 -8.099 14.078 10 HE2 MET 1 3HE MET 1 -7.202 -8.445 13.096 11 HE3 MET 1 1HE MET 1 -8.810 -8.839 12.487 12 H ASN 2 H ASN 2 -4.701 -6.675 10.976 13 HA ASN 2 HA ASN 2 -4.061 -3.916 11.214 14 HB2 ASN 2 2HB ASN 2 -2.815 -6.272 12.637 15 HB3 ASN 2 1HB ASN 2 -2.682 -4.581 13.116 16 HD21 ASN 2 1HD2 ASN 2 -4.483 -7.434 13.350 17 HD22 ASN 2 2HD2 ASN 2 -5.824 -6.804 14.238 18 H ASP 3 H ASP 3 -2.481 -6.687 9.842 19 HA ASP 3 HA ASP 3 0.142 -5.869 9.717 20 HB2 ASP 3 2HB ASP 3 -1.517 -7.791 8.344 21 HB3 ASP 3 1HB ASP 3 -0.355 -7.072 7.233 22 H VAL 4 H VAL 4 -2.542 -4.890 7.695 23 HA VAL 4 HA VAL 4 -0.985 -3.476 5.783 24 HB VAL 4 HB VAL 4 -3.246 -2.311 5.324 25 HG11 VAL 4 1HG1 VAL 4 -2.376 -3.991 3.865 26 HG12 VAL 4 2HG1 VAL 4 -4.080 -4.344 4.152 27 HG13 VAL 4 3HG1 VAL 4 -2.835 -5.275 4.985 28 HG21 VAL 4 3HG2 VAL 4 -5.203 -3.450 6.169 29 HG22 VAL 4 1HG2 VAL 4 -4.225 -2.865 7.516 30 HG23 VAL 4 2HG2 VAL 4 -4.190 -4.574 7.076 31 H LEU 5 H LEU 5 -2.892 -2.411 8.595 32 HA LEU 5 HA LEU 5 -2.325 0.325 8.257 33 HB2 LEU 5 2HB LEU 5 -3.469 -1.354 10.384 34 HB3 LEU 5 1HB LEU 5 -2.879 0.223 10.862 35 HG LEU 5 HG LEU 5 -4.382 0.868 8.688 36 HD11 LEU 5 1HD1 LEU 5 -5.409 -1.680 9.810 37 HD12 LEU 5 2HD1 LEU 5 -5.463 -1.065 8.158 38 HD13 LEU 5 3HD1 LEU 5 -6.579 -0.435 9.370 39 HD21 LEU 5 3HD2 LEU 5 -5.575 0.590 11.431 40 HD22 LEU 5 1HD2 LEU 5 -5.892 1.827 10.214 41 HD23 LEU 5 2HD2 LEU 5 -4.343 1.794 11.056 42 H THR 6 H THR 6 -0.764 -2.179 10.138 43 HA THR 6 HA THR 6 0.965 -0.568 11.616 44 HB THR 6 HB THR 6 0.797 -2.742 12.397 45 HG1 THR 6 1HG THR 6 3.099 -1.915 11.867 46 HG21 THR 6 3HG2 THR 6 1.804 -4.336 10.238 47 HG22 THR 6 1HG2 THR 6 0.369 -3.441 9.736 48 HG23 THR 6 2HG2 THR 6 0.301 -4.495 11.149 49 H ARG 7 H ARG 7 1.718 -2.429 8.696 50 HA ARG 7 HA ARG 7 4.255 -1.169 8.379 51 HB2 ARG 7 2HB ARG 7 3.904 -3.494 7.700 52 HB3 ARG 7 1HB ARG 7 2.722 -2.973 6.507 53 HG2 ARG 7 2HG ARG 7 5.424 -1.776 6.341 54 HG3 ARG 7 1HG ARG 7 5.257 -3.476 5.895 55 HD2 ARG 7 2HD ARG 7 3.110 -2.030 4.721 56 HD3 ARG 7 1HD ARG 7 4.609 -1.168 4.371 57 HE ARG 7 HE ARG 7 3.944 -3.903 3.552 58 HH11 ARG 7 1HH1 ARG 7 6.099 -1.169 3.472 59 HH12 ARG 7 2HH1 ARG 7 7.014 -1.765 2.127 60 HH21 ARG 7 1HH2 ARG 7 5.142 -4.697 1.782 61 HH22 ARG 7 2HH2 ARG 7 6.469 -3.771 1.166 62 H VAL 8 H VAL 8 1.181 -1.079 6.643 63 HA VAL 8 HA VAL 8 1.967 0.726 4.659 64 HB VAL 8 HB VAL 8 -0.830 0.405 5.747 65 HG11 VAL 8 1HG1 VAL 8 -1.209 0.797 3.169 66 HG12 VAL 8 2HG1 VAL 8 0.347 1.617 3.301 67 HG13 VAL 8 3HG1 VAL 8 -1.018 2.150 4.284 68 HG21 VAL 8 3HG2 VAL 8 0.696 -1.651 4.856 69 HG22 VAL 8 1HG2 VAL 8 -0.045 -1.104 3.352 70 HG23 VAL 8 2HG2 VAL 8 -1.060 -1.578 4.714 71 H LEU 9 H LEU 9 0.238 1.305 7.714 72 HA LEU 9 HA LEU 9 0.058 4.105 7.407 73 HB2 LEU 9 2HB LEU 9 -0.988 4.091 9.416 74 HB3 LEU 9 1HB LEU 9 -1.085 2.375 9.085 75 HG LEU 9 HG LEU 9 1.133 2.210 10.404 76 HD11 LEU 9 1HD1 LEU 9 1.000 4.916 10.394 77 HD12 LEU 9 2HD1 LEU 9 1.891 3.965 11.582 78 HD13 LEU 9 3HD1 LEU 9 0.270 4.547 11.957 79 HD21 LEU 9 3HD2 LEU 9 -0.192 2.297 12.584 80 HD22 LEU 9 1HD2 LEU 9 -0.774 1.211 11.322 81 HD23 LEU 9 2HD2 LEU 9 -1.570 2.763 11.585 82 H GLU 10 H GLU 10 2.402 2.033 9.065 83 HA GLU 10 HA GLU 10 3.935 4.106 10.196 84 HB2 GLU 10 2HB GLU 10 5.541 2.450 10.718 85 HB3 GLU 10 1HB GLU 10 3.981 1.644 10.809 86 HG2 GLU 10 2HG GLU 10 4.659 0.134 9.351 87 HG3 GLU 10 1HG GLU 10 4.949 1.395 8.152 88 H VAL 11 H VAL 11 3.974 2.528 7.104 89 HA VAL 11 HA VAL 11 6.460 3.457 6.198 90 HB VAL 11 HB VAL 11 4.119 2.207 4.987 91 HG11 VAL 11 1HG1 VAL 11 4.704 2.654 2.731 92 HG12 VAL 11 2HG1 VAL 11 6.156 3.527 3.219 93 HG13 VAL 11 3HG1 VAL 11 4.563 4.209 3.549 94 HG21 VAL 11 3HG2 VAL 11 6.298 1.115 3.828 95 HG22 VAL 11 1HG2 VAL 11 5.614 0.579 5.363 96 HG23 VAL 11 2HG2 VAL 11 6.980 1.695 5.348 97 H VAL 12 H VAL 12 3.203 4.588 5.445 98 HA VAL 12 HA VAL 12 3.957 6.810 3.915 99 HB VAL 12 HB VAL 12 1.758 7.248 3.736 100 HG11 VAL 12 1HG1 VAL 12 2.125 4.638 3.993 101 HG12 VAL 12 2HG1 VAL 12 0.521 5.332 3.761 102 HG13 VAL 12 3HG1 VAL 12 1.057 4.874 5.377 103 HG21 VAL 12 3HG2 VAL 12 1.594 6.928 6.725 104 HG22 VAL 12 1HG2 VAL 12 0.192 7.260 5.707 105 HG23 VAL 12 2HG2 VAL 12 1.518 8.420 5.787 106 H LYS 13 H LYS 13 3.213 6.536 7.375 107 HA LYS 13 HA LYS 13 3.417 9.246 8.025 108 HB2 LYS 13 2HB LYS 13 3.523 8.562 10.286 109 HB3 LYS 13 1HB LYS 13 2.539 7.354 9.471 110 HG2 LYS 13 2HG LYS 13 4.220 5.745 9.558 111 HG3 LYS 13 1HG LYS 13 5.481 6.948 9.866 112 HD2 LYS 13 2HD LYS 13 3.289 6.105 11.763 113 HD3 LYS 13 1HD LYS 13 5.004 5.713 11.896 114 HE2 LYS 13 2HE LYS 13 3.863 8.503 11.951 115 HE3 LYS 13 1HE LYS 13 4.301 7.568 13.381 116 HZ1 LYS 13 3HZ LYS 13 6.222 8.215 11.218 117 HZ2 LYS 13 1HZ LYS 13 6.566 7.591 12.754 118 HZ3 LYS 13 2HZ LYS 13 6.016 9.182 12.589 119 H ASN 14 H ASN 14 5.893 6.715 7.914 120 HA ASN 14 HA ASN 14 7.952 8.524 8.767 121 HB2 ASN 14 2HB ASN 14 8.088 5.673 7.782 122 HB3 ASN 14 1HB ASN 14 9.465 6.583 8.395 123 HD21 ASN 14 1HD2 ASN 14 7.289 4.324 9.199 124 HD22 ASN 14 2HD2 ASN 14 7.214 4.560 10.910 125 H PHE 15 H PHE 15 6.372 8.106 5.926 126 HA PHE 15 HA PHE 15 8.632 8.352 4.164 127 HB2 PHE 15 2HB PHE 15 5.792 7.780 3.887 128 HB3 PHE 15 1HB PHE 15 6.363 8.923 2.674 129 HD1 PHE 15 2HD PHE 15 8.142 6.060 4.240 130 HD2 PHE 15 1HD PHE 15 6.443 7.708 0.703 131 HE1 PHE 15 2HE PHE 15 9.073 4.197 2.929 132 HE2 PHE 15 1HE PHE 15 7.370 5.848 -0.614 133 HZ PHE 15 HZ PHE 15 8.687 4.090 0.500 134 H GLU 16 H GLU 16 6.703 10.405 6.016 135 HA GLU 16 HA GLU 16 7.125 12.682 6.335 136 HB2 GLU 16 2HB GLU 16 8.493 13.903 4.952 137 HB3 GLU 16 1HB GLU 16 9.060 12.281 4.584 138 HG2 GLU 16 2HG GLU 16 8.605 12.607 2.455 139 HG3 GLU 16 1HG GLU 16 6.906 12.847 2.853 140 H LYS 17 H LYS 17 5.057 11.006 4.543 141 HA LYS 17 HA LYS 17 3.703 13.066 3.116 142 HB2 LYS 17 2HB LYS 17 3.042 10.216 3.787 143 HB3 LYS 17 1HB LYS 17 1.873 11.262 2.995 144 HG2 LYS 17 2HG LYS 17 2.775 10.606 1.078 145 HG3 LYS 17 1HG LYS 17 4.165 11.606 1.499 146 HD2 LYS 17 2HD LYS 17 5.403 9.756 1.465 147 HD3 LYS 17 1HD LYS 17 4.530 9.223 2.903 148 HE2 LYS 17 2HE LYS 17 2.752 8.483 1.076 149 HE3 LYS 17 1HE LYS 17 4.194 8.424 0.063 150 HZ1 LYS 17 3HZ LYS 17 4.985 7.151 2.310 151 HZ2 LYS 17 1HZ LYS 17 4.437 6.386 0.904 152 HZ3 LYS 17 2HZ LYS 17 3.370 6.665 2.185 153 H VAL 18 H VAL 18 3.409 11.613 6.293 154 HA VAL 18 HA VAL 18 1.908 13.792 7.295 155 HB VAL 18 HB VAL 18 0.103 11.674 7.837 156 HG11 VAL 18 1HG1 VAL 18 -0.767 13.796 7.973 157 HG12 VAL 18 2HG1 VAL 18 -1.393 13.275 6.409 158 HG13 VAL 18 3HG1 VAL 18 0.018 14.330 6.487 159 HG21 VAL 18 3HG2 VAL 18 -0.456 10.703 5.869 160 HG22 VAL 18 1HG2 VAL 18 1.236 11.029 5.494 161 HG23 VAL 18 2HG2 VAL 18 -0.021 12.125 4.920 162 H ASP 19 H ASP 19 1.859 13.823 9.513 163 HA ASP 19 HA ASP 19 3.582 11.985 10.851 164 HB2 ASP 19 2HB ASP 19 3.035 14.584 11.261 165 HB3 ASP 19 1HB ASP 19 1.933 13.873 12.436 166 H ALA 20 H ALA 20 3.041 10.200 11.944 167 HA ALA 20 HA ALA 20 0.494 9.087 11.860 168 HB1 ALA 20 1HB ALA 20 2.839 8.489 13.644 169 HB2 ALA 20 2HB ALA 20 2.352 7.649 12.172 170 HB3 ALA 20 3HB ALA 20 1.364 7.522 13.628 171 H SER 21 H SER 21 1.983 11.148 14.242 172 HA SER 21 HA SER 21 0.087 10.756 16.300 173 HB2 SER 21 2HB SER 21 2.028 13.003 15.750 174 HB3 SER 21 1HB SER 21 1.017 12.932 17.193 175 HG SER 21 HG SER 21 3.012 11.089 16.385 176 H LYS 22 H LYS 22 0.083 12.640 13.422 177 HA LYS 22 HA LYS 22 -2.144 14.274 14.316 178 HB2 LYS 22 2HB LYS 22 -1.000 15.741 13.053 179 HB3 LYS 22 1HB LYS 22 -0.109 14.468 12.233 180 HG2 LYS 22 2HG LYS 22 -2.882 14.584 11.387 181 HG3 LYS 22 1HG LYS 22 -2.028 16.105 11.125 182 HD2 LYS 22 2HD LYS 22 -0.954 13.427 10.259 183 HD3 LYS 22 1HD LYS 22 -1.925 14.468 9.217 184 HE2 LYS 22 2HE LYS 22 0.772 15.060 10.418 185 HE3 LYS 22 1HE LYS 22 0.370 14.877 8.712 186 HZ1 LYS 22 3HZ LYS 22 -0.562 17.058 10.499 187 HZ2 LYS 22 1HZ LYS 22 -1.001 16.875 8.874 188 HZ3 LYS 22 2HZ LYS 22 0.608 17.196 9.285 189 H VAL 23 H VAL 23 -1.573 11.367 12.661 190 HA VAL 23 HA VAL 23 -3.879 11.420 10.972 191 HB VAL 23 HB VAL 23 -2.662 8.832 11.791 192 HG11 VAL 23 1HG1 VAL 23 -4.507 9.223 10.045 193 HG12 VAL 23 2HG1 VAL 23 -3.158 8.173 9.609 194 HG13 VAL 23 3HG1 VAL 23 -3.209 9.834 9.019 195 HG21 VAL 23 3HG2 VAL 23 -1.254 10.853 10.049 196 HG22 VAL 23 1HG2 VAL 23 -0.769 9.171 10.265 197 HG23 VAL 23 2HG2 VAL 23 -0.719 10.284 11.630 198 H THR 24 H THR 24 -5.914 11.017 11.522 199 HA THR 24 HA THR 24 -6.438 9.643 14.036 200 HB THR 24 HB THR 24 -7.318 12.166 13.137 201 HG1 THR 24 1HG THR 24 -7.884 12.315 15.181 202 HG21 THR 24 3HG2 THR 24 -9.703 10.422 13.611 203 HG22 THR 24 1HG2 THR 24 -9.133 10.803 11.987 204 HG23 THR 24 2HG2 THR 24 -9.645 12.098 13.067 205 HA PRO 25 HA PRO 25 -8.787 6.460 12.127 206 HB2 PRO 25 2HB PRO 25 -11.269 6.637 13.327 207 HB3 PRO 25 1HB PRO 25 -9.860 5.848 14.042 208 HG2 PRO 25 2HG PRO 25 -10.949 8.589 14.527 209 HG3 PRO 25 1HG PRO 25 -10.279 7.427 15.686 210 HD2 PRO 25 2HD PRO 25 -8.849 9.525 14.817 211 HD3 PRO 25 1HD PRO 25 -8.087 7.952 15.136 212 H GLU 26 H GLU 26 -10.495 9.546 12.350 213 HA GLU 26 HA GLU 26 -11.909 8.928 9.871 214 HB2 GLU 26 2HB GLU 26 -13.669 9.837 10.896 215 HB3 GLU 26 1HB GLU 26 -12.672 10.270 12.277 216 HG2 GLU 26 2HG GLU 26 -12.014 12.341 11.109 217 HG3 GLU 26 1HG GLU 26 -13.111 11.915 9.797 218 H SER 27 H SER 27 -9.057 10.027 10.493 219 HA SER 27 HA SER 27 -8.949 12.623 9.389 220 HB2 SER 27 2HB SER 27 -6.993 10.533 10.147 221 HB3 SER 27 1HB SER 27 -6.448 11.712 8.952 222 HG SER 27 HG SER 27 -7.754 12.921 10.986 223 H HIS 28 H HIS 28 -8.717 13.334 7.340 224 HA HIS 28 HA HIS 28 -9.254 11.497 5.213 225 HB2 HIS 28 2HB HIS 28 -9.349 14.379 5.611 226 HB3 HIS 28 1HB HIS 28 -8.675 13.947 4.044 227 HD1 HIS 28 1HD HIS 28 -10.957 11.345 4.805 228 HD2 HIS 28 2HD HIS 28 -11.362 15.263 3.483 229 HE1 HIS 28 1HE HIS 28 -13.248 11.474 3.777 230 HE2 HIS 28 2HE HIS 28 -13.503 13.876 3.060 231 H PHE 29 H PHE 29 -7.920 11.017 3.454 232 HA PHE 29 HA PHE 29 -5.161 10.825 4.044 233 HB2 PHE 29 2HB PHE 29 -6.766 9.407 2.451 234 HB3 PHE 29 1HB PHE 29 -6.081 10.486 1.238 235 HD1 PHE 29 2HD PHE 29 -3.506 10.496 3.319 236 HD2 PHE 29 1HD PHE 29 -5.624 7.671 0.942 237 HE1 PHE 29 2HE PHE 29 -1.492 9.085 3.208 238 HE2 PHE 29 1HE PHE 29 -3.613 6.255 0.828 239 HZ PHE 29 HZ PHE 29 -1.546 6.962 1.962 240 H VAL 30 H VAL 30 -4.582 11.355 1.061 241 HA VAL 30 HA VAL 30 -3.037 13.512 1.133 242 HB VAL 30 HB VAL 30 -3.012 13.549 -1.135 243 HG11 VAL 30 1HG1 VAL 30 -3.054 11.165 -0.407 244 HG12 VAL 30 2HG1 VAL 30 -3.595 11.419 -2.065 245 HG13 VAL 30 3HG1 VAL 30 -4.775 11.129 -0.787 246 HG21 VAL 30 3HG2 VAL 30 -6.009 13.211 -1.197 247 HG22 VAL 30 1HG2 VAL 30 -4.963 13.558 -2.573 248 HG23 VAL 30 2HG2 VAL 30 -5.157 14.751 -1.289 249 H LYS 31 H LYS 31 -6.504 13.600 1.029 250 HA LYS 31 HA LYS 31 -6.844 16.334 0.471 251 HB2 LYS 31 2HB LYS 31 -9.082 15.908 1.760 252 HB3 LYS 31 1HB LYS 31 -8.798 15.137 0.206 253 HG2 LYS 31 2HG LYS 31 -7.824 13.535 2.417 254 HG3 LYS 31 1HG LYS 31 -9.548 13.888 2.543 255 HD2 LYS 31 2HD LYS 31 -8.603 11.817 1.154 256 HD3 LYS 31 1HD LYS 31 -10.071 12.679 0.694 257 HE2 LYS 31 2HE LYS 31 -7.575 13.822 -0.353 258 HE3 LYS 31 1HE LYS 31 -7.972 12.216 -0.963 259 HZ1 LYS 31 3HZ LYS 31 -9.531 13.076 -2.258 260 HZ2 LYS 31 1HZ LYS 31 -9.005 14.623 -1.820 261 HZ3 LYS 31 2HZ LYS 31 -10.265 13.884 -0.966 262 H ASP 32 H ASP 32 -6.767 14.590 3.568 263 HA ASP 32 HA ASP 32 -6.800 17.063 5.039 264 HB2 ASP 32 2HB ASP 32 -7.372 14.299 5.608 265 HB3 ASP 32 1HB ASP 32 -6.246 14.942 6.799 266 H LEU 33 H LEU 33 -4.510 15.825 3.296 267 HA LEU 33 HA LEU 33 -2.290 16.701 3.418 268 HB2 LEU 33 2HB LEU 33 -2.958 17.420 5.867 269 HB3 LEU 33 1HB LEU 33 -2.088 15.959 6.277 270 HG LEU 33 HG LEU 33 -0.669 17.957 6.433 271 HD11 LEU 33 1HD1 LEU 33 0.489 15.940 6.026 272 HD12 LEU 33 2HD1 LEU 33 1.162 17.125 4.906 273 HD13 LEU 33 3HD1 LEU 33 0.012 15.921 4.328 274 HD21 LEU 33 3HD2 LEU 33 -1.943 19.017 4.420 275 HD22 LEU 33 1HD2 LEU 33 -0.712 18.200 3.458 276 HD23 LEU 33 2HD2 LEU 33 -0.237 19.383 4.678 277 H GLY 34 H GLY 34 -3.320 14.249 2.647 278 HA2 GLY 34 2HA GLY 34 -1.667 12.195 3.893 279 HA3 GLY 34 1HA GLY 34 -2.892 11.939 2.662 280 H LEU 35 H LEU 35 -1.025 10.513 1.940 281 HA LEU 35 HA LEU 35 1.260 11.725 0.775 282 HB2 LEU 35 2HB LEU 35 1.867 9.593 0.060 283 HB3 LEU 35 1HB LEU 35 0.978 9.309 1.542 284 HG LEU 35 HG LEU 35 0.341 8.517 -1.229 285 HD11 LEU 35 1HD1 LEU 35 0.853 6.728 0.117 286 HD12 LEU 35 2HD1 LEU 35 -0.906 6.755 0.234 287 HD13 LEU 35 3HD1 LEU 35 0.075 7.430 1.534 288 HD21 LEU 35 3HD2 LEU 35 -1.544 10.044 0.341 289 HD22 LEU 35 1HD2 LEU 35 -2.134 8.412 0.030 290 HD23 LEU 35 2HD2 LEU 35 -1.674 9.455 -1.315 291 H ASN 36 H ASN 36 1.753 12.096 -1.391 292 HA ASN 36 HA ASN 36 -0.458 12.920 -2.991 293 HB2 ASN 36 2HB ASN 36 1.959 13.945 -2.765 294 HB3 ASN 36 1HB ASN 36 2.337 12.809 -4.053 295 HD21 ASN 36 1HD2 ASN 36 -0.770 13.452 -4.629 296 HD22 ASN 36 2HD2 ASN 36 -0.615 14.811 -5.676 297 H SER 37 H SER 37 0.268 12.383 -5.580 298 HA SER 37 HA SER 37 -0.699 9.768 -5.964 299 HB2 SER 37 2HB SER 37 0.730 10.832 -8.263 300 HB3 SER 37 1HB SER 37 -0.984 10.456 -8.084 301 H LEU 38 H LEU 38 2.455 11.124 -6.786 302 HA LEU 38 HA LEU 38 3.734 8.792 -7.506 303 HB2 LEU 38 2HB LEU 38 5.699 9.987 -7.482 304 HB3 LEU 38 1HB LEU 38 4.505 11.265 -7.606 305 HG LEU 38 HG LEU 38 6.258 11.872 -6.038 306 HD11 LEU 38 1HD1 LEU 38 3.449 11.633 -5.304 307 HD12 LEU 38 2HD1 LEU 38 4.543 13.012 -5.186 308 HD13 LEU 38 3HD1 LEU 38 4.527 11.787 -3.918 309 HD21 LEU 38 3HD2 LEU 38 6.195 9.195 -5.310 310 HD22 LEU 38 1HD2 LEU 38 5.563 10.050 -3.903 311 HD23 LEU 38 2HD2 LEU 38 7.146 10.473 -4.555 312 H ASP 39 H ASP 39 3.284 10.148 -4.307 313 HA ASP 39 HA ASP 39 4.946 8.265 -2.971 314 HB2 ASP 39 2HB ASP 39 2.981 9.248 -1.175 315 HB3 ASP 39 1HB ASP 39 4.673 9.722 -1.301 316 H VAL 40 H VAL 40 1.431 8.666 -2.864 317 HA VAL 40 HA VAL 40 0.694 6.388 -1.586 318 HB VAL 40 HB VAL 40 -0.753 8.264 -2.749 319 HG11 VAL 40 1HG1 VAL 40 -0.066 6.769 -4.971 320 HG12 VAL 40 2HG1 VAL 40 -1.363 7.961 -4.872 321 HG13 VAL 40 3HG1 VAL 40 -1.713 6.253 -4.607 322 HG21 VAL 40 3HG2 VAL 40 -2.212 7.193 -1.457 323 HG22 VAL 40 1HG2 VAL 40 -1.299 5.689 -1.594 324 HG23 VAL 40 2HG2 VAL 40 -2.524 6.092 -2.799 325 H VAL 41 H VAL 41 1.877 6.675 -4.859 326 HA VAL 41 HA VAL 41 1.155 4.096 -5.756 327 HB VAL 41 HB VAL 41 3.464 5.797 -6.702 328 HG11 VAL 41 1HG1 VAL 41 2.721 3.184 -7.378 329 HG12 VAL 41 2HG1 VAL 41 3.869 4.225 -8.218 330 HG13 VAL 41 3HG1 VAL 41 2.177 4.200 -8.713 331 HG21 VAL 41 3HG2 VAL 41 1.219 5.879 -8.450 332 HG22 VAL 41 1HG2 VAL 41 1.994 7.206 -7.584 333 HG23 VAL 41 2HG2 VAL 41 0.682 6.304 -6.825 334 H GLU 42 H GLU 42 4.224 5.398 -4.500 335 HA GLU 42 HA GLU 42 5.675 3.015 -4.585 336 HB2 GLU 42 2HB GLU 42 5.907 5.506 -2.934 337 HB3 GLU 42 1HB GLU 42 6.972 4.140 -2.632 338 HG2 GLU 42 2HG GLU 42 7.333 4.321 -5.247 339 HG3 GLU 42 1HG GLU 42 6.863 5.992 -4.940 340 H VAL 43 H VAL 43 3.701 4.398 -2.028 341 HA VAL 43 HA VAL 43 4.175 2.440 -0.074 342 HB VAL 43 HB VAL 43 3.131 4.261 0.858 343 HG11 VAL 43 1HG1 VAL 43 2.154 5.778 -0.429 344 HG12 VAL 43 2HG1 VAL 43 0.760 4.718 -0.624 345 HG13 VAL 43 3HG1 VAL 43 2.106 4.623 -1.759 346 HG21 VAL 43 3HG2 VAL 43 1.868 2.013 1.215 347 HG22 VAL 43 1HG2 VAL 43 0.600 2.827 0.306 348 HG23 VAL 43 2HG2 VAL 43 1.180 3.524 1.814 349 H VAL 44 H VAL 44 1.520 2.799 -2.371 350 HA VAL 44 HA VAL 44 0.120 0.478 -1.712 351 HB VAL 44 HB VAL 44 -0.878 0.610 -3.958 352 HG11 VAL 44 1HG1 VAL 44 -0.955 2.565 -1.937 353 HG12 VAL 44 2HG1 VAL 44 -2.198 2.188 -3.129 354 HG13 VAL 44 3HG1 VAL 44 -0.989 3.424 -3.476 355 HG21 VAL 44 3HG2 VAL 44 -0.178 2.326 -5.536 356 HG22 VAL 44 1HG2 VAL 44 1.153 1.219 -5.194 357 HG23 VAL 44 2HG2 VAL 44 1.120 2.815 -4.447 358 H PHE 45 H PHE 45 3.014 0.964 -3.554 359 HA PHE 45 HA PHE 45 2.987 -1.624 -4.790 360 HB2 PHE 45 2HB PHE 45 5.061 0.552 -4.570 361 HB3 PHE 45 1HB PHE 45 5.416 -1.003 -5.316 362 HD1 PHE 45 1HD PHE 45 2.527 -1.257 -6.483 363 HD2 PHE 45 2HD PHE 45 5.502 1.784 -6.594 364 HE1 PHE 45 1HE PHE 45 1.610 -0.443 -8.617 365 HE2 PHE 45 2HE PHE 45 4.590 2.604 -8.727 366 HZ PHE 45 HZ PHE 45 2.641 1.490 -9.741 367 H ALA 46 H ALA 46 3.963 -0.277 -1.796 368 HA ALA 46 HA ALA 46 5.944 -2.152 -1.068 369 HB1 ALA 46 1HB ALA 46 4.566 -1.181 1.234 370 HB2 ALA 46 2HB ALA 46 4.772 0.134 0.078 371 HB3 ALA 46 3HB ALA 46 6.177 -0.766 0.649 372 H ILE 47 H ILE 47 2.536 -1.882 -0.206 373 HA ILE 47 HA ILE 47 2.394 -4.317 1.208 374 HB ILE 47 HB ILE 47 -0.167 -3.981 0.394 375 HG12 ILE 47 2HG1 ILE 47 0.977 -1.868 -0.845 376 HG13 ILE 47 1HG1 ILE 47 -0.688 -1.873 -0.275 377 HG21 ILE 47 1HG2 ILE 47 1.240 -2.454 2.581 378 HG22 ILE 47 2HG2 ILE 47 0.603 -4.095 2.696 379 HG23 ILE 47 3HG2 ILE 47 -0.499 -2.735 2.480 380 HD11 ILE 47 3HD1 ILE 47 -0.258 -0.428 1.411 381 HD12 ILE 47 1HD1 ILE 47 1.022 0.069 0.305 382 HD13 ILE 47 2HD1 ILE 47 1.389 -1.016 1.646 383 H GLU 48 H GLU 48 1.976 -3.475 -2.168 384 HA GLU 48 HA GLU 48 0.706 -5.755 -3.108 385 HB2 GLU 48 2HB GLU 48 1.933 -3.501 -4.236 386 HB3 GLU 48 1HB GLU 48 2.750 -4.882 -4.955 387 HG2 GLU 48 2HG GLU 48 0.219 -5.695 -5.221 388 HG3 GLU 48 1HG GLU 48 -0.034 -3.950 -5.254 389 H GLN 49 H GLN 49 4.058 -5.198 -2.317 390 HA GLN 49 HA GLN 49 4.941 -7.728 -3.339 391 HB2 GLN 49 2HB GLN 49 7.072 -7.089 -2.055 392 HB3 GLN 49 1HB GLN 49 6.603 -6.081 -3.417 393 HG2 GLN 49 2HG GLN 49 5.629 -4.453 -1.886 394 HG3 GLN 49 1HG GLN 49 6.083 -5.467 -0.517 395 HE21 GLN 49 1HE2 GLN 49 7.329 -3.554 -3.185 396 HE22 GLN 49 2HE2 GLN 49 8.873 -3.232 -2.480 397 H GLU 50 H GLU 50 3.910 -6.435 -0.258 398 HA GLU 50 HA GLU 50 4.518 -8.982 1.012 399 HB2 GLU 50 2HB GLU 50 4.723 -7.912 3.042 400 HB3 GLU 50 1HB GLU 50 5.292 -6.666 1.940 401 HG2 GLU 50 2HG GLU 50 3.664 -5.279 2.522 402 HG3 GLU 50 1HG GLU 50 2.431 -6.524 2.329 403 H PHE 51 H PHE 51 2.273 -8.710 -0.728 404 HA PHE 51 HA PHE 51 0.240 -9.677 1.041 405 HB2 PHE 51 2HB PHE 51 0.034 -7.009 -0.223 406 HB3 PHE 51 1HB PHE 51 -1.414 -8.008 -0.242 407 HD1 PHE 51 2HD PHE 51 -1.343 -9.387 2.289 408 HD2 PHE 51 1HD PHE 51 -0.266 -5.374 1.372 409 HE1 PHE 51 2HE PHE 51 -1.831 -8.731 4.609 410 HE2 PHE 51 1HE PHE 51 -0.750 -4.709 3.690 411 HZ PHE 51 HZ PHE 51 -1.534 -6.390 5.313 412 H ILE 52 H ILE 52 1.526 -9.310 -2.149 413 HA ILE 52 HA ILE 52 1.195 -10.491 -4.060 414 HB ILE 52 HB ILE 52 -0.794 -12.376 -3.050 415 HG12 ILE 52 2HG1 ILE 52 1.551 -13.262 -1.778 416 HG13 ILE 52 1HG1 ILE 52 1.338 -11.585 -1.291 417 HG21 ILE 52 1HG2 ILE 52 0.917 -13.996 -3.856 418 HG22 ILE 52 2HG2 ILE 52 1.959 -12.626 -4.241 419 HG23 ILE 52 3HG2 ILE 52 0.413 -12.818 -5.068 420 HD11 ILE 52 3HD1 ILE 52 -0.237 -13.959 -0.613 421 HD12 ILE 52 1HD1 ILE 52 -1.171 -12.507 -0.970 422 HD13 ILE 52 2HD1 ILE 52 0.050 -12.480 0.303 423 H LEU 53 H LEU 53 -0.416 -8.243 -3.528 424 HA LEU 53 HA LEU 53 -2.520 -8.704 -5.409 425 HB2 LEU 53 2HB LEU 53 -3.590 -9.369 -3.288 426 HB3 LEU 53 1HB LEU 53 -3.219 -7.792 -2.619 427 HG LEU 53 HG LEU 53 -4.603 -7.044 -4.812 428 HD11 LEU 53 1HD1 LEU 53 -4.978 -9.492 -5.326 429 HD12 LEU 53 2HD1 LEU 53 -6.419 -8.479 -5.259 430 HD13 LEU 53 3HD1 LEU 53 -6.019 -9.534 -3.903 431 HD21 LEU 53 3HD2 LEU 53 -5.344 -7.599 -1.991 432 HD22 LEU 53 1HD2 LEU 53 -6.636 -7.207 -3.126 433 HD23 LEU 53 2HD2 LEU 53 -5.309 -6.073 -2.876 434 H ASP 54 H ASP 54 -3.119 -6.840 -6.475 435 HA ASP 54 HA ASP 54 -1.384 -4.595 -6.117 436 HB2 ASP 54 2HB ASP 54 -1.846 -5.185 -8.371 437 HB3 ASP 54 1HB ASP 54 -3.583 -5.208 -8.082 438 H ILE 55 H ILE 55 -1.909 -2.538 -5.477 439 HA ILE 55 HA ILE 55 -4.515 -2.234 -4.183 440 HB ILE 55 HB ILE 55 -1.846 -1.036 -3.486 441 HG12 ILE 55 2HG1 ILE 55 -1.893 -3.025 -2.352 442 HG13 ILE 55 1HG1 ILE 55 -2.779 -2.035 -1.195 443 HG21 ILE 55 1HG2 ILE 55 -3.815 0.589 -3.399 444 HG22 ILE 55 2HG2 ILE 55 -2.844 0.408 -1.937 445 HG23 ILE 55 3HG2 ILE 55 -4.409 -0.397 -2.063 446 HD11 ILE 55 3HD1 ILE 55 -4.084 -3.737 -3.300 447 HD12 ILE 55 1HD1 ILE 55 -4.868 -2.893 -1.966 448 HD13 ILE 55 2HD1 ILE 55 -3.794 -4.253 -1.639 449 HA PRO 56 HA PRO 56 -3.128 1.980 -6.481 450 HB2 PRO 56 2HB PRO 56 -2.210 0.469 -8.886 451 HB3 PRO 56 1HB PRO 56 -1.628 2.005 -8.232 452 HG2 PRO 56 2HG PRO 56 -0.226 -0.226 -7.882 453 HG3 PRO 56 1HG PRO 56 -0.358 0.976 -6.585 454 HD2 PRO 56 2HD PRO 56 -1.713 -1.665 -6.871 455 HD3 PRO 56 1HD PRO 56 -1.140 -0.844 -5.405 456 H ASP 57 H ASP 57 -3.615 2.011 -9.348 457 HA ASP 57 HA ASP 57 -5.337 2.043 -10.834 458 HB2 ASP 57 2HB ASP 57 -6.612 -0.218 -9.304 459 HB3 ASP 57 1HB ASP 57 -6.745 0.150 -11.021 460 H HIS 58 H HIS 58 -8.051 1.649 -10.583 461 HA HIS 58 HA HIS 58 -8.895 4.020 -9.362 462 HB2 HIS 58 2HB HIS 58 -10.336 1.598 -10.398 463 HB3 HIS 58 1HB HIS 58 -11.225 2.874 -9.573 464 HD1 HIS 58 1HD HIS 58 -12.451 3.257 -11.891 465 HD2 HIS 58 2HD HIS 58 -8.391 4.146 -11.847 466 HE1 HIS 58 1HE HIS 58 -12.041 4.633 -13.956 467 HE2 HIS 58 2HE HIS 58 -9.595 5.229 -13.864 468 H ASP 59 H ASP 59 -8.153 1.017 -7.983 469 HA ASP 59 HA ASP 59 -9.963 1.025 -5.807 470 HB2 ASP 59 2HB ASP 59 -7.303 -0.341 -6.215 471 HB3 ASP 59 1HB ASP 59 -8.312 -0.595 -4.793 472 H ALA 60 H ALA 60 -6.615 2.135 -6.174 473 HA ALA 60 HA ALA 60 -6.541 3.133 -3.474 474 HB1 ALA 60 1HB ALA 60 -4.549 3.215 -5.723 475 HB2 ALA 60 2HB ALA 60 -4.507 2.206 -4.277 476 HB3 ALA 60 3HB ALA 60 -4.262 3.948 -4.144 477 H GLU 61 H GLU 61 -7.148 4.348 -6.653 478 HA GLU 61 HA GLU 61 -6.798 7.110 -5.971 479 HB2 GLU 61 2HB GLU 61 -7.806 5.631 -8.371 480 HB3 GLU 61 1HB GLU 61 -8.097 7.359 -8.229 481 HG2 GLU 61 2HG GLU 61 -5.448 7.229 -7.674 482 HG3 GLU 61 1HG GLU 61 -5.627 5.899 -8.818 483 H LYS 62 H LYS 62 -9.484 4.860 -6.199 484 HA LYS 62 HA LYS 62 -11.482 6.878 -5.794 485 HB2 LYS 62 2HB LYS 62 -11.596 3.863 -5.786 486 HB3 LYS 62 1HB LYS 62 -13.006 4.883 -5.527 487 HG2 LYS 62 2HG LYS 62 -11.420 4.434 -8.006 488 HG3 LYS 62 1HG LYS 62 -13.168 4.436 -7.769 489 HD2 LYS 62 2HD LYS 62 -11.465 6.910 -7.541 490 HD3 LYS 62 1HD LYS 62 -12.236 6.402 -9.044 491 HE2 LYS 62 2HE LYS 62 -14.364 6.812 -8.246 492 HE3 LYS 62 1HE LYS 62 -13.872 6.658 -6.559 493 HZ1 LYS 62 3HZ LYS 62 -13.485 8.946 -8.386 494 HZ2 LYS 62 1HZ LYS 62 -12.534 8.766 -6.997 495 HZ3 LYS 62 2HZ LYS 62 -14.212 8.924 -6.859 496 H ILE 63 H ILE 63 -9.227 5.766 -3.782 497 HA ILE 63 HA ILE 63 -10.979 5.661 -1.443 498 HB ILE 63 HB ILE 63 -8.632 4.185 -2.163 499 HG12 ILE 63 2HG1 ILE 63 -9.680 3.626 0.477 500 HG13 ILE 63 1HG1 ILE 63 -10.988 3.878 -0.674 501 HG21 ILE 63 1HG2 ILE 63 -8.425 5.789 0.378 502 HG22 ILE 63 2HG2 ILE 63 -7.307 5.784 -0.986 503 HG23 ILE 63 3HG2 ILE 63 -7.458 4.355 0.036 504 HD11 ILE 63 3HD1 ILE 63 -10.551 1.579 -0.701 505 HD12 ILE 63 1HD1 ILE 63 -8.806 1.826 -0.758 506 HD13 ILE 63 2HD1 ILE 63 -9.797 2.212 -2.165 507 H GLN 64 H GLN 64 -11.063 7.384 -0.151 508 HA GLN 64 HA GLN 64 -8.865 9.296 -0.251 509 HB2 GLN 64 2HB GLN 64 -11.803 9.823 0.168 510 HB3 GLN 64 1HB GLN 64 -10.546 11.043 0.317 511 HG2 GLN 64 2HG GLN 64 -11.001 11.476 -1.821 512 HG3 GLN 64 1HG GLN 64 -10.027 10.044 -2.153 513 HE21 GLN 64 1HE2 GLN 64 -11.248 7.965 -2.169 514 HE22 GLN 64 2HE2 GLN 64 -12.819 7.969 -2.886 515 H SER 65 H SER 65 -11.308 7.795 1.801 516 HA SER 65 HA SER 65 -10.266 8.982 4.207 517 HB2 SER 65 2HB SER 65 -12.690 7.916 3.544 518 HB3 SER 65 1HB SER 65 -11.978 6.596 4.472 519 HG SER 65 HG SER 65 -11.651 8.051 6.181 520 H ILE 66 H ILE 66 -9.426 7.726 6.008 521 HA ILE 66 HA ILE 66 -7.287 6.055 5.237 522 HB ILE 66 HB ILE 66 -8.201 5.898 8.040 523 HG12 ILE 66 2HG1 ILE 66 -6.906 8.321 8.047 524 HG13 ILE 66 1HG1 ILE 66 -7.931 8.435 6.625 525 HG21 ILE 66 1HG2 ILE 66 -5.874 6.142 8.515 526 HG22 ILE 66 2HG2 ILE 66 -5.540 6.672 6.867 527 HG23 ILE 66 3HG2 ILE 66 -6.038 5.008 7.175 528 HD11 ILE 66 3HD1 ILE 66 -9.437 7.346 8.789 529 HD12 ILE 66 1HD1 ILE 66 -9.699 8.837 7.885 530 HD13 ILE 66 2HD1 ILE 66 -8.646 8.838 9.301 531 HA PRO 67 HA PRO 67 -10.213 2.625 7.237 532 HB2 PRO 67 2HB PRO 67 -12.833 3.072 6.471 533 HB3 PRO 67 1HB PRO 67 -12.171 3.432 8.068 534 HG2 PRO 67 2HG PRO 67 -12.631 5.257 5.750 535 HG3 PRO 67 1HG PRO 67 -12.876 5.556 7.481 536 HD2 PRO 67 2HD PRO 67 -10.741 6.520 6.175 537 HD3 PRO 67 1HD PRO 67 -10.624 5.961 7.856 538 H ASP 68 H ASP 68 -12.112 3.866 4.496 539 HA ASP 68 HA ASP 68 -12.355 1.559 3.078 540 HB2 ASP 68 2HB ASP 68 -12.813 2.871 1.141 541 HB3 ASP 68 1HB ASP 68 -13.350 3.820 2.524 542 H ALA 69 H ALA 69 -9.495 3.435 3.481 543 HA ALA 69 HA ALA 69 -8.066 2.436 1.242 544 HB1 ALA 69 1HB ALA 69 -6.121 3.490 2.250 545 HB2 ALA 69 2HB ALA 69 -7.024 3.733 3.747 546 HB3 ALA 69 3HB ALA 69 -7.515 4.570 2.275 547 H VAL 70 H VAL 70 -6.651 2.152 4.400 548 HA VAL 70 HA VAL 70 -5.449 -0.327 3.843 549 HB VAL 70 HB VAL 70 -4.591 1.359 5.476 550 HG11 VAL 70 1HG1 VAL 70 -5.507 1.630 7.602 551 HG12 VAL 70 2HG1 VAL 70 -6.487 0.170 7.471 552 HG13 VAL 70 3HG1 VAL 70 -6.916 1.606 6.541 553 HG21 VAL 70 3HG2 VAL 70 -4.075 -0.486 7.269 554 HG22 VAL 70 1HG2 VAL 70 -3.432 -0.618 5.632 555 HG23 VAL 70 2HG2 VAL 70 -4.858 -1.545 6.096 556 H GLU 71 H GLU 71 -8.584 0.410 4.916 557 HA GLU 71 HA GLU 71 -9.039 -1.994 6.387 558 HB2 GLU 71 2HB GLU 71 -11.093 -0.114 5.227 559 HB3 GLU 71 1HB GLU 71 -11.338 -1.280 6.519 560 HG2 GLU 71 2HG GLU 71 -9.425 1.025 6.732 561 HG3 GLU 71 1HG GLU 71 -11.115 1.119 7.225 562 H TYR 72 H TYR 72 -9.833 -0.831 3.128 563 HA TYR 72 HA TYR 72 -11.308 -3.104 2.376 564 HB2 TYR 72 2HB TYR 72 -11.723 -1.909 0.539 565 HB3 TYR 72 1HB TYR 72 -10.703 -0.650 1.222 566 HD1 TYR 72 1HD TYR 72 -8.312 -0.521 0.565 567 HD2 TYR 72 2HD TYR 72 -11.023 -3.179 -1.347 568 HE1 TYR 72 1HE TYR 72 -6.740 -0.760 -1.305 569 HE2 TYR 72 2HE TYR 72 -9.463 -3.423 -3.233 570 HH TYR 72 HH TYR 72 -6.979 -1.378 -3.841 571 H ILE 73 H ILE 73 -7.909 -2.256 1.809 572 HA ILE 73 HA ILE 73 -7.339 -4.666 0.429 573 HB ILE 73 HB ILE 73 -5.165 -4.013 0.249 574 HG12 ILE 73 2HG1 ILE 73 -4.364 -4.178 2.451 575 HG13 ILE 73 1HG1 ILE 73 -4.051 -2.510 1.979 576 HG21 ILE 73 1HG2 ILE 73 -5.152 -1.373 0.596 577 HG22 ILE 73 2HG2 ILE 73 -6.888 -1.662 0.661 578 HG23 ILE 73 3HG2 ILE 73 -5.962 -2.169 -0.752 579 HD11 ILE 73 3HD1 ILE 73 -6.571 -2.453 3.137 580 HD12 ILE 73 1HD1 ILE 73 -5.055 -1.896 3.843 581 HD13 ILE 73 2HD1 ILE 73 -5.619 -3.534 4.155 582 H ALA 74 H ALA 74 -7.432 -3.781 3.769 583 HA ALA 74 HA ALA 74 -5.873 -5.835 4.862 584 HB1 ALA 74 1HB ALA 74 -7.576 -3.773 5.833 585 HB2 ALA 74 2HB ALA 74 -6.328 -4.674 6.695 586 HB3 ALA 74 3HB ALA 74 -7.983 -5.279 6.655 587 H GLN 75 H GLN 75 -9.259 -5.724 3.966 588 HA GLN 75 HA GLN 75 -9.808 -8.345 4.971 589 HB2 GLN 75 2HB GLN 75 -11.490 -6.686 3.094 590 HB3 GLN 75 1HB GLN 75 -12.028 -8.047 4.068 591 HG2 GLN 75 2HG GLN 75 -11.774 -5.250 4.763 592 HG3 GLN 75 1HG GLN 75 -12.680 -6.537 5.557 593 HE21 GLN 75 1HE2 GLN 75 -10.669 -4.282 6.319 594 HE22 GLN 75 2HE2 GLN 75 -9.640 -5.070 7.462 595 H ASN 76 H ASN 76 -8.726 -6.946 2.023 596 HA ASN 76 HA ASN 76 -9.474 -8.803 0.123 597 HB2 ASN 76 2HB ASN 76 -7.320 -6.830 0.413 598 HB3 ASN 76 1HB ASN 76 -6.917 -8.170 -0.651 599 HD21 ASN 76 1HD2 ASN 76 -8.860 -5.383 -0.180 600 HD22 ASN 76 2HD2 ASN 76 -9.565 -5.333 -1.757 601 HA PRO 77 HA PRO 77 -5.785 -11.598 1.151 602 HB2 PRO 77 2HB PRO 77 -3.833 -10.814 2.796 603 HB3 PRO 77 1HB PRO 77 -3.922 -10.215 1.135 604 HG2 PRO 77 2HG PRO 77 -4.713 -8.869 3.680 605 HG3 PRO 77 1HG PRO 77 -3.916 -8.188 2.251 606 HD2 PRO 77 2HD PRO 77 -6.630 -7.994 2.821 607 HD3 PRO 77 1HD PRO 77 -5.902 -7.769 1.218 608 H MET 78 H MET 78 -7.267 -9.889 3.766 609 HA MET 78 HA MET 78 -6.642 -11.692 5.857 610 HB2 MET 78 2HB MET 78 -8.493 -9.419 5.468 611 HB3 MET 78 1HB MET 78 -8.938 -10.571 6.718 612 HG2 MET 78 2HG MET 78 -6.222 -9.301 6.574 613 HG3 MET 78 1HG MET 78 -7.573 -8.580 7.448 614 HE1 MET 78 3HE MET 78 -7.634 -9.477 10.477 615 HE2 MET 78 1HE MET 78 -8.558 -10.918 10.050 616 HE3 MET 78 2HE MET 78 -8.780 -9.426 9.136 617 H ALA 79 H ALA 79 -8.850 -11.861 3.248 618 HA ALA 79 HA ALA 79 -9.676 -14.475 3.994 619 HB1 ALA 79 1HB ALA 79 -11.158 -12.646 5.260 620 HB2 ALA 79 2HB ALA 79 -11.801 -14.197 4.721 621 HB3 ALA 79 3HB ALA 79 -12.059 -12.750 3.747 622 H LYS 80 H LYS 80 -8.472 -13.060 1.742 623 HA LYS 80 HA LYS 80 -9.606 -12.391 -0.465 624 HB2 LYS 80 2HB LYS 80 -8.191 -15.033 -0.650 625 HB3 LYS 80 1HB LYS 80 -8.138 -13.676 -1.766 626 HG2 LYS 80 2HG LYS 80 -6.134 -13.337 -0.804 627 HG3 LYS 80 1HG LYS 80 -7.103 -12.502 0.410 628 HD2 LYS 80 2HD LYS 80 -5.615 -13.960 1.568 629 HD3 LYS 80 1HD LYS 80 -7.228 -14.670 1.666 630 HE2 LYS 80 2HE LYS 80 -6.640 -16.117 -0.270 631 HE3 LYS 80 1HE LYS 80 -4.998 -15.478 -0.194 632 HZ1 LYS 80 3HZ LYS 80 -4.555 -17.054 1.276 633 HZ2 LYS 80 1HZ LYS 80 -6.175 -17.542 1.341 634 HZ3 LYS 80 2HZ LYS 80 -5.619 -16.315 2.364 635 H282 PNS 101 8H2 PNS 101 1.037 15.527 -10.600 636 H281 PNS 101 9H2 PNS 101 0.843 13.804 -10.937 637 H303 PNS 101 0H3 PNS 101 3.971 14.787 -8.350 638 H302 PNS 101 1H3 PNS 101 2.313 15.347 -8.129 639 H301 PNS 101 2H3 PNS 101 3.384 16.183 -9.253 640 H313 PNS 101 3H3 PNS 101 2.627 12.744 -8.517 641 H312 PNS 101 4H3 PNS 101 3.936 12.630 -9.695 642 H311 PNS 101 5H3 PNS 101 2.285 12.228 -10.169 643 H32 PNS 101 6H3 PNS 101 2.720 14.292 -11.947 644 H33 PNS 101 7H3 PNS 101 4.298 16.393 -11.232 645 H36 PNS 101 8H3 PNS 101 6.038 12.986 -10.485 646 H372 PNS 101 9H3 PNS 101 6.559 14.814 -9.218 647 H371 PNS 101 0H4 PNS 101 5.072 15.583 -9.772 648 H382 PNS 101 1H4 PNS 101 6.083 16.473 -11.661 649 H381 PNS 101 2H4 PNS 101 7.321 16.648 -10.419 650 H41 PNS 101 3H4 PNS 101 6.792 14.001 -13.196 651 H422 PNS 101 4H4 PNS 101 7.797 15.567 -14.913 652 H421 PNS 101 5H4 PNS 101 6.094 15.842 -14.547 653 H431 PNS 101 7H4 PNS 101 6.732 17.959 -14.145 654 H432 PNS 101 6H4 PNS 101 7.339 17.321 -12.609 655 H44 PNS 101 8H4 PNS 101 9.080 18.049 -15.063 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -5.783 -6.108 8.409 2 H2 MET 1 2HT MET 1 -6.516 -7.660 8.415 3 H3 MET 1 3HT MET 1 -4.806 -7.517 8.443 4 HA MET 1 HA MET 1 -6.709 -6.741 10.548 5 HB2 MET 1 2HB MET 1 -5.495 -9.174 9.890 6 HB3 MET 1 1HB MET 1 -4.530 -8.539 11.216 7 HG2 MET 1 2HG MET 1 -7.285 -8.199 11.844 8 HG3 MET 1 1HG MET 1 -7.015 -9.863 11.330 9 HE1 MET 1 2HE MET 1 -4.949 -11.073 11.955 10 HE2 MET 1 3HE MET 1 -4.690 -11.415 13.666 11 HE3 MET 1 1HE MET 1 -3.685 -10.223 12.843 12 H ASN 2 H ASN 2 -4.477 -7.271 12.417 13 HA ASN 2 HA ASN 2 -3.509 -4.632 12.646 14 HB2 ASN 2 2HB ASN 2 -2.742 -7.195 14.031 15 HB3 ASN 2 1HB ASN 2 -1.980 -5.651 14.408 16 HD21 ASN 2 1HD2 ASN 2 -5.349 -6.393 13.630 17 HD22 ASN 2 2HD2 ASN 2 -6.002 -5.818 15.122 18 H ASP 3 H ASP 3 -2.221 -7.514 11.191 19 HA ASP 3 HA ASP 3 0.469 -6.760 11.003 20 HB2 ASP 3 2HB ASP 3 -0.842 -8.368 8.845 21 HB3 ASP 3 1HB ASP 3 0.749 -8.572 9.571 22 H VAL 4 H VAL 4 -2.244 -6.190 8.843 23 HA VAL 4 HA VAL 4 -0.727 -4.931 6.802 24 HB VAL 4 HB VAL 4 -3.005 -4.021 6.084 25 HG11 VAL 4 1HG1 VAL 4 -2.413 -5.813 4.816 26 HG12 VAL 4 2HG1 VAL 4 -3.784 -6.530 5.666 27 HG13 VAL 4 3HG1 VAL 4 -2.139 -6.852 6.215 28 HG21 VAL 4 3HG2 VAL 4 -4.935 -5.244 7.099 29 HG22 VAL 4 1HG2 VAL 4 -4.173 -4.066 8.168 30 HG23 VAL 4 2HG2 VAL 4 -3.847 -5.786 8.376 31 H LEU 5 H LEU 5 -2.739 -3.660 9.434 32 HA LEU 5 HA LEU 5 -2.353 -0.943 8.805 33 HB2 LEU 5 2HB LEU 5 -3.702 -2.473 10.803 34 HB3 LEU 5 1HB LEU 5 -2.813 -1.174 11.572 35 HG LEU 5 HG LEU 5 -4.015 0.185 9.559 36 HD11 LEU 5 1HD1 LEU 5 -5.217 -2.185 9.234 37 HD12 LEU 5 2HD1 LEU 5 -6.015 -0.645 8.912 38 HD13 LEU 5 3HD1 LEU 5 -6.290 -1.478 10.442 39 HD21 LEU 5 3HD2 LEU 5 -5.895 0.384 11.501 40 HD22 LEU 5 1HD2 LEU 5 -4.346 1.227 11.522 41 HD23 LEU 5 2HD2 LEU 5 -4.540 -0.285 12.410 42 H THR 6 H THR 6 -0.599 -3.216 10.769 43 HA THR 6 HA THR 6 0.992 -1.456 12.220 44 HB THR 6 HB THR 6 0.798 -4.224 11.917 45 HG1 THR 6 1HG THR 6 2.689 -2.826 13.493 46 HG21 THR 6 3HG2 THR 6 3.334 -4.713 12.008 47 HG22 THR 6 1HG2 THR 6 3.475 -3.225 11.070 48 HG23 THR 6 2HG2 THR 6 2.529 -4.577 10.444 49 H ARG 7 H ARG 7 1.844 -3.178 9.244 50 HA ARG 7 HA ARG 7 4.220 -1.652 8.871 51 HB2 ARG 7 2HB ARG 7 4.215 -3.931 8.123 52 HB3 ARG 7 1HB ARG 7 2.798 -3.653 7.120 53 HG2 ARG 7 2HG ARG 7 5.219 -2.024 6.583 54 HG3 ARG 7 1HG ARG 7 5.236 -3.724 6.113 55 HD2 ARG 7 2HD ARG 7 2.749 -2.684 5.302 56 HD3 ARG 7 1HD ARG 7 3.967 -1.501 4.827 57 HE ARG 7 HE ARG 7 3.594 -4.144 3.745 58 HH11 ARG 7 1HH1 ARG 7 5.814 -1.498 4.190 59 HH12 ARG 7 2HH1 ARG 7 6.810 -1.937 2.844 60 HH21 ARG 7 1HH2 ARG 7 4.902 -4.733 1.970 61 HH22 ARG 7 2HH2 ARG 7 6.292 -3.777 1.581 62 H VAL 8 H VAL 8 1.050 -1.794 7.314 63 HA VAL 8 HA VAL 8 1.564 0.074 5.301 64 HB VAL 8 HB VAL 8 -0.543 -1.509 5.849 65 HG11 VAL 8 1HG1 VAL 8 -1.357 -0.100 7.658 66 HG12 VAL 8 2HG1 VAL 8 -2.498 -0.107 6.313 67 HG13 VAL 8 3HG1 VAL 8 -1.438 1.280 6.562 68 HG21 VAL 8 3HG2 VAL 8 -1.548 0.579 4.208 69 HG22 VAL 8 1HG2 VAL 8 -0.897 -0.988 3.724 70 HG23 VAL 8 2HG2 VAL 8 0.177 0.402 3.885 71 H LEU 9 H LEU 9 0.038 0.522 8.491 72 HA LEU 9 HA LEU 9 -0.402 3.279 8.275 73 HB2 LEU 9 2HB LEU 9 -1.102 3.161 10.415 74 HB3 LEU 9 1HB LEU 9 -0.986 1.438 10.146 75 HG LEU 9 HG LEU 9 1.499 1.853 11.018 76 HD11 LEU 9 1HD1 LEU 9 0.474 4.374 11.317 77 HD12 LEU 9 2HD1 LEU 9 1.869 3.724 12.179 78 HD13 LEU 9 3HD1 LEU 9 0.273 3.684 12.928 79 HD21 LEU 9 3HD2 LEU 9 0.674 1.272 13.281 80 HD22 LEU 9 1HD2 LEU 9 -0.021 0.279 12.002 81 HD23 LEU 9 2HD2 LEU 9 -0.971 1.578 12.721 82 H GLU 10 H GLU 10 2.403 1.502 9.530 83 HA GLU 10 HA GLU 10 3.878 3.775 10.303 84 HB2 GLU 10 2HB GLU 10 5.758 2.305 10.518 85 HB3 GLU 10 1HB GLU 10 4.329 1.433 11.056 86 HG2 GLU 10 2HG GLU 10 4.570 -0.130 9.497 87 HG3 GLU 10 1HG GLU 10 4.858 1.059 8.228 88 H VAL 11 H VAL 11 3.526 2.053 7.313 89 HA VAL 11 HA VAL 11 5.692 3.044 5.887 90 HB VAL 11 HB VAL 11 3.137 1.818 5.204 91 HG11 VAL 11 1HG1 VAL 11 3.151 3.822 3.754 92 HG12 VAL 11 2HG1 VAL 11 3.247 2.310 2.850 93 HG13 VAL 11 3HG1 VAL 11 4.696 3.287 3.091 94 HG21 VAL 11 3HG2 VAL 11 5.036 0.826 3.521 95 HG22 VAL 11 1HG2 VAL 11 4.653 0.178 5.118 96 HG23 VAL 11 2HG2 VAL 11 5.995 1.308 4.922 97 H VAL 12 H VAL 12 2.364 4.222 5.880 98 HA VAL 12 HA VAL 12 2.882 6.497 4.285 99 HB VAL 12 HB VAL 12 0.666 7.282 5.543 100 HG11 VAL 12 1HG1 VAL 12 -0.222 5.194 3.857 101 HG12 VAL 12 2HG1 VAL 12 1.288 5.809 3.184 102 HG13 VAL 12 3HG1 VAL 12 -0.058 6.910 3.479 103 HG21 VAL 12 3HG2 VAL 12 0.015 4.436 5.692 104 HG22 VAL 12 1HG2 VAL 12 -0.405 5.755 6.784 105 HG23 VAL 12 2HG2 VAL 12 1.169 4.969 6.915 106 H LYS 13 H LYS 13 2.517 6.105 7.800 107 HA LYS 13 HA LYS 13 2.745 8.754 8.567 108 HB2 LYS 13 2HB LYS 13 3.313 7.958 10.737 109 HB3 LYS 13 1HB LYS 13 2.224 6.769 10.037 110 HG2 LYS 13 2HG LYS 13 4.107 5.336 9.489 111 HG3 LYS 13 1HG LYS 13 5.225 6.539 10.152 112 HD2 LYS 13 2HD LYS 13 3.043 5.166 11.723 113 HD3 LYS 13 1HD LYS 13 4.737 4.673 11.718 114 HE2 LYS 13 2HE LYS 13 4.098 7.508 12.342 115 HE3 LYS 13 1HE LYS 13 3.757 6.290 13.571 116 HZ1 LYS 13 3HZ LYS 13 6.235 7.428 12.855 117 HZ2 LYS 13 1HZ LYS 13 6.298 5.758 12.592 118 HZ3 LYS 13 2HZ LYS 13 5.887 6.359 14.118 119 H ASN 14 H ASN 14 5.345 6.367 8.129 120 HA ASN 14 HA ASN 14 7.369 8.360 8.547 121 HB2 ASN 14 2HB ASN 14 7.739 5.520 7.594 122 HB3 ASN 14 1HB ASN 14 8.957 6.569 8.314 123 HD21 ASN 14 1HD2 ASN 14 6.944 4.057 8.900 124 HD22 ASN 14 2HD2 ASN 14 6.806 4.184 10.618 125 H PHE 15 H PHE 15 5.413 7.627 6.022 126 HA PHE 15 HA PHE 15 7.080 7.487 3.797 127 HB2 PHE 15 2HB PHE 15 4.328 7.677 4.255 128 HB3 PHE 15 1HB PHE 15 4.723 9.065 3.245 129 HD1 PHE 15 2HD PHE 15 5.752 8.719 1.025 130 HD2 PHE 15 1HD PHE 15 4.365 5.470 3.398 131 HE1 PHE 15 2HE PHE 15 5.776 7.264 -0.959 132 HE2 PHE 15 1HE PHE 15 4.388 4.009 1.419 133 HZ PHE 15 HZ PHE 15 5.094 4.906 -0.763 134 H GLU 16 H GLU 16 5.271 10.385 4.709 135 HA GLU 16 HA GLU 16 7.339 12.179 4.976 136 HB2 GLU 16 2HB GLU 16 7.876 13.036 2.891 137 HB3 GLU 16 1HB GLU 16 7.721 11.320 2.546 138 HG2 GLU 16 2HG GLU 16 6.142 11.708 1.065 139 HG3 GLU 16 1HG GLU 16 5.183 12.585 2.253 140 H LYS 17 H LYS 17 4.109 11.519 3.921 141 HA LYS 17 HA LYS 17 3.082 14.090 3.667 142 HB2 LYS 17 2HB LYS 17 0.951 13.130 3.802 143 HB3 LYS 17 1HB LYS 17 1.960 11.838 3.179 144 HG2 LYS 17 2HG LYS 17 1.690 11.919 6.103 145 HG3 LYS 17 1HG LYS 17 0.214 11.565 5.208 146 HD2 LYS 17 2HD LYS 17 2.590 10.139 4.261 147 HD3 LYS 17 1HD LYS 17 2.084 9.717 5.899 148 HE2 LYS 17 2HE LYS 17 0.219 9.775 3.538 149 HE3 LYS 17 1HE LYS 17 1.073 8.324 4.066 150 HZ1 LYS 17 3HZ LYS 17 0.004 8.716 6.294 151 HZ2 LYS 17 1HZ LYS 17 -1.046 8.246 5.053 152 HZ3 LYS 17 2HZ LYS 17 -0.984 9.865 5.541 153 H VAL 18 H VAL 18 3.261 12.054 6.588 154 HA VAL 18 HA VAL 18 3.843 14.114 8.346 155 HB VAL 18 HB VAL 18 1.321 13.854 9.407 156 HG11 VAL 18 1HG1 VAL 18 1.103 16.225 8.174 157 HG12 VAL 18 2HG1 VAL 18 2.833 15.945 7.970 158 HG13 VAL 18 3HG1 VAL 18 2.126 15.960 9.586 159 HG21 VAL 18 3HG2 VAL 18 -0.304 14.195 7.730 160 HG22 VAL 18 1HG2 VAL 18 0.665 12.827 7.184 161 HG23 VAL 18 2HG2 VAL 18 0.921 14.424 6.482 162 H ASP 19 H ASP 19 3.200 13.501 10.696 163 HA ASP 19 HA ASP 19 4.097 10.849 11.142 164 HB2 ASP 19 2HB ASP 19 3.135 13.062 12.932 165 HB3 ASP 19 1HB ASP 19 3.456 11.457 13.581 166 H ALA 20 H ALA 20 2.991 9.080 12.007 167 HA ALA 20 HA ALA 20 0.335 8.736 11.131 168 HB1 ALA 20 1HB ALA 20 1.106 6.838 13.170 169 HB2 ALA 20 2HB ALA 20 2.387 7.077 11.982 170 HB3 ALA 20 3HB ALA 20 0.779 6.581 11.456 171 H SER 21 H SER 21 1.615 10.117 13.965 172 HA SER 21 HA SER 21 -0.439 9.486 15.795 173 HB2 SER 21 2HB SER 21 1.731 11.534 15.666 174 HB3 SER 21 1HB SER 21 0.439 11.753 16.846 175 HG SER 21 HG SER 21 1.531 9.215 16.720 176 H LYS 22 H LYS 22 -0.281 11.644 13.147 177 HA LYS 22 HA LYS 22 -2.444 13.319 14.086 178 HB2 LYS 22 2HB LYS 22 -2.170 14.487 11.925 179 HB3 LYS 22 1HB LYS 22 -0.666 14.386 12.832 180 HG2 LYS 22 2HG LYS 22 0.322 13.449 11.092 181 HG3 LYS 22 1HG LYS 22 -0.822 12.107 11.158 182 HD2 LYS 22 2HD LYS 22 -0.918 13.079 8.967 183 HD3 LYS 22 1HD LYS 22 -2.411 13.476 9.820 184 HE2 LYS 22 2HE LYS 22 -1.137 15.645 10.484 185 HE3 LYS 22 1HE LYS 22 -0.102 15.242 9.115 186 HZ1 LYS 22 3HZ LYS 22 -2.256 16.715 8.852 187 HZ2 LYS 22 1HZ LYS 22 -2.990 15.200 8.676 188 HZ3 LYS 22 2HZ LYS 22 -1.743 15.665 7.630 189 H VAL 23 H VAL 23 -2.057 10.420 12.367 190 HA VAL 23 HA VAL 23 -4.271 10.569 10.615 191 HB VAL 23 HB VAL 23 -3.968 8.293 10.190 192 HG11 VAL 23 1HG1 VAL 23 -1.325 8.041 10.593 193 HG12 VAL 23 2HG1 VAL 23 -1.502 9.778 10.836 194 HG13 VAL 23 3HG1 VAL 23 -2.022 9.043 9.320 195 HG21 VAL 23 3HG2 VAL 23 -4.275 7.255 12.260 196 HG22 VAL 23 1HG2 VAL 23 -2.939 8.135 13.003 197 HG23 VAL 23 2HG2 VAL 23 -2.611 6.858 11.832 198 H THR 24 H THR 24 -6.363 10.478 11.019 199 HA THR 24 HA THR 24 -7.257 9.453 13.593 200 HB THR 24 HB THR 24 -9.031 11.222 12.061 201 HG1 THR 24 1HG THR 24 -6.934 12.196 11.867 202 HG21 THR 24 3HG2 THR 24 -8.637 12.147 14.676 203 HG22 THR 24 1HG2 THR 24 -8.735 10.389 14.766 204 HG23 THR 24 2HG2 THR 24 -10.042 11.308 14.019 205 HA PRO 25 HA PRO 25 -9.711 6.291 11.788 206 HB2 PRO 25 2HB PRO 25 -12.068 7.389 13.231 207 HB3 PRO 25 1HB PRO 25 -11.379 5.763 13.275 208 HG2 PRO 25 2HG PRO 25 -11.038 7.445 15.315 209 HG3 PRO 25 1HG PRO 25 -9.736 6.355 14.800 210 HD2 PRO 25 2HD PRO 25 -10.062 9.286 14.316 211 HD3 PRO 25 1HD PRO 25 -8.588 8.353 14.647 212 H GLU 26 H GLU 26 -11.155 9.517 11.844 213 HA GLU 26 HA GLU 26 -12.612 8.897 9.390 214 HB2 GLU 26 2HB GLU 26 -13.372 10.266 11.710 215 HB3 GLU 26 1HB GLU 26 -13.172 11.513 10.486 216 HG2 GLU 26 2HG GLU 26 -15.192 9.394 10.719 217 HG3 GLU 26 1HG GLU 26 -15.312 11.013 10.033 218 H SER 27 H SER 27 -9.708 10.037 10.221 219 HA SER 27 HA SER 27 -9.405 12.467 8.870 220 HB2 SER 27 2HB SER 27 -7.634 11.847 10.293 221 HB3 SER 27 1HB SER 27 -7.483 10.253 9.554 222 HG SER 27 HG SER 27 -7.118 12.320 7.794 223 H HIS 28 H HIS 28 -9.210 13.013 6.789 224 HA HIS 28 HA HIS 28 -9.693 11.032 4.781 225 HB2 HIS 28 2HB HIS 28 -9.304 14.019 4.662 226 HB3 HIS 28 1HB HIS 28 -9.566 13.033 3.227 227 HD1 HIS 28 1HD HIS 28 -11.896 11.520 3.423 228 HD2 HIS 28 2HD HIS 28 -11.600 14.976 5.711 229 HE1 HIS 28 1HE HIS 28 -14.258 12.118 4.045 230 HE2 HIS 28 2HE HIS 28 -14.060 14.262 5.355 231 H PHE 29 H PHE 29 -8.343 10.534 3.013 232 HA PHE 29 HA PHE 29 -5.597 10.317 3.642 233 HB2 PHE 29 2HB PHE 29 -7.042 8.805 2.131 234 HB3 PHE 29 1HB PHE 29 -6.712 9.987 0.869 235 HD1 PHE 29 2HD PHE 29 -3.865 10.307 2.561 236 HD2 PHE 29 1HD PHE 29 -5.924 7.297 0.366 237 HE1 PHE 29 2HE PHE 29 -1.724 9.196 2.082 238 HE2 PHE 29 1HE PHE 29 -3.786 6.180 -0.116 239 HZ PHE 29 HZ PHE 29 -1.682 7.130 0.742 240 H VAL 30 H VAL 30 -5.119 10.903 0.588 241 HA VAL 30 HA VAL 30 -3.495 13.017 0.681 242 HB VAL 30 HB VAL 30 -4.856 13.559 -1.686 243 HG11 VAL 30 1HG1 VAL 30 -2.706 13.347 -2.221 244 HG12 VAL 30 2HG1 VAL 30 -2.979 11.606 -2.304 245 HG13 VAL 30 3HG1 VAL 30 -2.386 12.335 -0.811 246 HG21 VAL 30 3HG2 VAL 30 -4.736 10.589 -1.553 247 HG22 VAL 30 1HG2 VAL 30 -5.719 11.637 -2.577 248 HG23 VAL 30 2HG2 VAL 30 -6.149 11.404 -0.882 249 H LYS 31 H LYS 31 -6.953 13.177 0.776 250 HA LYS 31 HA LYS 31 -7.263 15.940 0.319 251 HB2 LYS 31 2HB LYS 31 -9.089 14.264 2.031 252 HB3 LYS 31 1HB LYS 31 -9.502 15.676 1.067 253 HG2 LYS 31 2HG LYS 31 -9.251 14.463 -0.963 254 HG3 LYS 31 1HG LYS 31 -8.543 13.084 -0.119 255 HD2 LYS 31 2HD LYS 31 -10.863 12.633 -0.691 256 HD3 LYS 31 1HD LYS 31 -10.667 12.730 1.060 257 HE2 LYS 31 2HE LYS 31 -11.611 14.915 1.122 258 HE3 LYS 31 1HE LYS 31 -11.572 15.047 -0.636 259 HZ1 LYS 31 3HZ LYS 31 -13.047 12.762 0.139 260 HZ2 LYS 31 1HZ LYS 31 -13.556 14.104 -0.758 261 HZ3 LYS 31 2HZ LYS 31 -13.656 14.127 0.930 262 H ASP 32 H ASP 32 -6.902 14.054 3.296 263 HA ASP 32 HA ASP 32 -6.968 16.430 4.919 264 HB2 ASP 32 2HB ASP 32 -7.740 13.888 5.421 265 HB3 ASP 32 1HB ASP 32 -6.132 13.872 6.137 266 H LEU 33 H LEU 33 -4.738 15.457 2.929 267 HA LEU 33 HA LEU 33 -2.579 16.472 2.937 268 HB2 LEU 33 2HB LEU 33 -2.510 15.726 5.862 269 HB3 LEU 33 1HB LEU 33 -1.280 16.618 4.985 270 HG LEU 33 HG LEU 33 -4.041 17.740 5.071 271 HD11 LEU 33 1HD1 LEU 33 -2.069 17.919 7.345 272 HD12 LEU 33 2HD1 LEU 33 -3.629 17.098 7.383 273 HD13 LEU 33 3HD1 LEU 33 -3.560 18.849 7.195 274 HD21 LEU 33 3HD2 LEU 33 -1.423 18.572 4.282 275 HD22 LEU 33 1HD2 LEU 33 -2.015 19.634 5.560 276 HD23 LEU 33 2HD2 LEU 33 -2.962 19.412 4.090 277 H GLY 34 H GLY 34 -3.529 13.907 2.233 278 HA2 GLY 34 2HA GLY 34 -1.742 11.915 3.303 279 HA3 GLY 34 1HA GLY 34 -2.867 11.702 1.970 280 H LEU 35 H LEU 35 -0.700 10.458 1.462 281 HA LEU 35 HA LEU 35 1.497 11.930 0.479 282 HB2 LEU 35 2HB LEU 35 1.670 9.635 -0.920 283 HB3 LEU 35 1HB LEU 35 2.196 9.807 0.743 284 HG LEU 35 HG LEU 35 -0.634 9.073 0.447 285 HD11 LEU 35 1HD1 LEU 35 -0.450 7.280 -0.841 286 HD12 LEU 35 2HD1 LEU 35 0.893 6.672 0.126 287 HD13 LEU 35 3HD1 LEU 35 1.202 7.764 -1.224 288 HD21 LEU 35 3HD2 LEU 35 -0.259 8.378 2.521 289 HD22 LEU 35 1HD2 LEU 35 1.405 8.945 2.373 290 HD23 LEU 35 2HD2 LEU 35 1.001 7.277 1.967 291 H ASN 36 H ASN 36 2.123 12.392 -1.658 292 HA ASN 36 HA ASN 36 0.041 13.305 -3.336 293 HB2 ASN 36 2HB ASN 36 2.424 14.220 -3.138 294 HB3 ASN 36 1HB ASN 36 2.897 12.902 -4.205 295 HD21 ASN 36 1HD2 ASN 36 2.676 13.160 -6.327 296 HD22 ASN 36 2HD2 ASN 36 1.873 14.483 -7.093 297 H SER 37 H SER 37 0.443 12.739 -5.862 298 HA SER 37 HA SER 37 -0.623 10.157 -6.199 299 HB2 SER 37 2HB SER 37 0.547 12.098 -8.196 300 HB3 SER 37 1HB SER 37 -0.260 10.597 -8.651 301 H LEU 38 H LEU 38 2.620 11.415 -6.423 302 HA LEU 38 HA LEU 38 3.725 9.039 -7.589 303 HB2 LEU 38 2HB LEU 38 5.730 10.143 -7.650 304 HB3 LEU 38 1HB LEU 38 4.616 11.496 -7.639 305 HG LEU 38 HG LEU 38 6.489 11.917 -6.150 306 HD11 LEU 38 1HD1 LEU 38 4.818 13.094 -5.215 307 HD12 LEU 38 2HD1 LEU 38 4.965 11.896 -3.928 308 HD13 LEU 38 3HD1 LEU 38 3.725 11.711 -5.168 309 HD21 LEU 38 3HD2 LEU 38 6.302 9.209 -5.562 310 HD22 LEU 38 1HD2 LEU 38 5.813 10.023 -4.075 311 HD23 LEU 38 2HD2 LEU 38 7.377 10.385 -4.806 312 H ASP 39 H ASP 39 3.229 10.264 -4.378 313 HA ASP 39 HA ASP 39 4.930 8.356 -3.089 314 HB2 ASP 39 2HB ASP 39 4.568 10.417 -1.938 315 HB3 ASP 39 1HB ASP 39 2.819 10.243 -2.051 316 H VAL 40 H VAL 40 1.493 8.652 -3.712 317 HA VAL 40 HA VAL 40 0.669 6.389 -2.247 318 HB VAL 40 HB VAL 40 -0.643 8.377 -3.621 319 HG11 VAL 40 1HG1 VAL 40 -0.249 6.814 -5.656 320 HG12 VAL 40 2HG1 VAL 40 -1.841 7.531 -5.411 321 HG13 VAL 40 3HG1 VAL 40 -1.548 5.855 -4.948 322 HG21 VAL 40 3HG2 VAL 40 -1.872 7.673 -1.875 323 HG22 VAL 40 1HG2 VAL 40 -1.352 5.997 -2.055 324 HG23 VAL 40 2HG2 VAL 40 -2.650 6.633 -3.068 325 H VAL 41 H VAL 41 1.654 6.844 -5.607 326 HA VAL 41 HA VAL 41 0.993 4.303 -6.576 327 HB VAL 41 HB VAL 41 2.738 4.711 -8.310 328 HG11 VAL 41 1HG1 VAL 41 1.582 7.245 -8.610 329 HG12 VAL 41 2HG1 VAL 41 0.396 6.272 -7.741 330 HG13 VAL 41 3HG1 VAL 41 1.021 5.718 -9.294 331 HG21 VAL 41 3HG2 VAL 41 3.258 7.183 -6.664 332 HG22 VAL 41 1HG2 VAL 41 3.851 6.930 -8.306 333 HG23 VAL 41 2HG2 VAL 41 4.388 5.873 -7.000 334 H GLU 42 H GLU 42 4.109 5.509 -5.325 335 HA GLU 42 HA GLU 42 5.502 3.095 -5.513 336 HB2 GLU 42 2HB GLU 42 7.207 4.222 -4.551 337 HB3 GLU 42 1HB GLU 42 6.164 5.620 -4.779 338 HG2 GLU 42 2HG GLU 42 6.918 5.749 -2.567 339 HG3 GLU 42 1HG GLU 42 5.261 5.156 -2.465 340 H VAL 43 H VAL 43 3.692 4.480 -2.829 341 HA VAL 43 HA VAL 43 4.151 2.480 -0.943 342 HB VAL 43 HB VAL 43 3.122 4.243 0.074 343 HG11 VAL 43 1HG1 VAL 43 2.132 5.851 -1.080 344 HG12 VAL 43 2HG1 VAL 43 0.783 4.788 -1.476 345 HG13 VAL 43 3HG1 VAL 43 2.210 4.822 -2.509 346 HG21 VAL 43 3HG2 VAL 43 1.810 2.044 0.371 347 HG22 VAL 43 1HG2 VAL 43 0.577 2.862 -0.581 348 HG23 VAL 43 2HG2 VAL 43 1.101 3.553 0.950 349 H VAL 44 H VAL 44 1.656 2.765 -3.404 350 HA VAL 44 HA VAL 44 0.101 0.560 -2.688 351 HB VAL 44 HB VAL 44 -0.858 0.626 -4.848 352 HG11 VAL 44 1HG1 VAL 44 -0.360 3.406 -5.096 353 HG12 VAL 44 2HG1 VAL 44 -0.398 2.999 -3.381 354 HG13 VAL 44 3HG1 VAL 44 -1.768 2.594 -4.416 355 HG21 VAL 44 3HG2 VAL 44 0.833 2.429 -6.282 356 HG22 VAL 44 1HG2 VAL 44 0.347 0.788 -6.705 357 HG23 VAL 44 2HG2 VAL 44 1.784 1.055 -5.721 358 H PHE 45 H PHE 45 3.080 0.780 -4.523 359 HA PHE 45 HA PHE 45 3.050 -1.928 -5.416 360 HB2 PHE 45 2HB PHE 45 5.385 -0.018 -5.193 361 HB3 PHE 45 1HB PHE 45 5.355 -1.513 -6.120 362 HD1 PHE 45 2HD PHE 45 2.781 -1.395 -7.466 363 HD2 PHE 45 1HD PHE 45 5.606 1.699 -6.716 364 HE1 PHE 45 2HE PHE 45 1.944 -0.162 -9.424 365 HE2 PHE 45 1HE PHE 45 4.773 2.937 -8.673 366 HZ PHE 45 HZ PHE 45 2.941 2.007 -10.029 367 H ALA 46 H ALA 46 3.966 -0.299 -2.538 368 HA ALA 46 HA ALA 46 5.802 -2.204 -1.530 369 HB1 ALA 46 1HB ALA 46 4.899 -1.045 0.711 370 HB2 ALA 46 2HB ALA 46 4.377 0.151 -0.476 371 HB3 ALA 46 3HB ALA 46 6.082 -0.291 -0.360 372 H ILE 47 H ILE 47 2.701 -1.433 -0.057 373 HA ILE 47 HA ILE 47 2.337 -3.759 1.350 374 HB ILE 47 HB ILE 47 -0.052 -3.282 1.391 375 HG12 ILE 47 2HG1 ILE 47 -0.141 -2.678 -1.081 376 HG13 ILE 47 1HG1 ILE 47 -1.106 -1.676 -0.002 377 HG21 ILE 47 1HG2 ILE 47 1.719 -0.853 1.551 378 HG22 ILE 47 2HG2 ILE 47 1.304 -1.967 2.853 379 HG23 ILE 47 3HG2 ILE 47 0.067 -0.914 2.166 380 HD11 ILE 47 3HD1 ILE 47 1.131 -0.965 -1.720 381 HD12 ILE 47 1HD1 ILE 47 1.275 -0.334 -0.079 382 HD13 ILE 47 2HD1 ILE 47 -0.151 0.040 -1.045 383 H GLU 48 H GLU 48 1.293 -3.075 -1.977 384 HA GLU 48 HA GLU 48 -0.052 -5.452 -2.485 385 HB2 GLU 48 2HB GLU 48 -0.293 -3.811 -4.131 386 HB3 GLU 48 1HB GLU 48 1.438 -3.521 -4.228 387 HG2 GLU 48 2HG GLU 48 0.097 -6.046 -5.162 388 HG3 GLU 48 1HG GLU 48 0.469 -4.673 -6.204 389 H GLN 49 H GLN 49 3.356 -4.685 -2.621 390 HA GLN 49 HA GLN 49 4.334 -6.978 -3.851 391 HB2 GLN 49 2HB GLN 49 5.505 -5.126 -1.790 392 HB3 GLN 49 1HB GLN 49 6.405 -6.519 -2.374 393 HG2 GLN 49 2HG GLN 49 5.257 -4.812 -4.467 394 HG3 GLN 49 1HG GLN 49 6.502 -4.055 -3.475 395 HE21 GLN 49 1HE2 GLN 49 6.274 -5.209 -6.322 396 HE22 GLN 49 2HE2 GLN 49 7.722 -6.138 -6.486 397 H GLU 50 H GLU 50 3.735 -6.362 -0.398 398 HA GLU 50 HA GLU 50 4.044 -9.217 0.084 399 HB2 GLU 50 2HB GLU 50 4.756 -8.774 2.228 400 HB3 GLU 50 1HB GLU 50 5.363 -7.359 1.380 401 HG2 GLU 50 2HG GLU 50 4.306 -6.113 2.867 402 HG3 GLU 50 1HG GLU 50 2.787 -6.667 2.165 403 H PHE 51 H PHE 51 1.674 -8.129 -1.088 404 HA PHE 51 HA PHE 51 -0.242 -9.052 0.873 405 HB2 PHE 51 2HB PHE 51 -0.290 -6.369 -0.454 406 HB3 PHE 51 1HB PHE 51 -1.800 -7.156 -0.008 407 HD1 PHE 51 2HD PHE 51 -0.013 -8.447 2.435 408 HD2 PHE 51 1HD PHE 51 -1.154 -4.570 1.105 409 HE1 PHE 51 2HE PHE 51 0.231 -7.594 4.728 410 HE2 PHE 51 1HE PHE 51 -0.912 -3.709 3.397 411 HZ PHE 51 HZ PHE 51 -0.219 -5.222 5.212 412 H ILE 52 H ILE 52 1.009 -9.394 -2.101 413 HA ILE 52 HA ILE 52 0.343 -10.300 -4.075 414 HB ILE 52 HB ILE 52 -1.460 -12.065 -3.875 415 HG12 ILE 52 2HG1 ILE 52 -1.889 -12.752 -1.462 416 HG13 ILE 52 1HG1 ILE 52 -1.349 -11.140 -1.033 417 HG21 ILE 52 1HG2 ILE 52 -0.017 -13.616 -2.732 418 HG22 ILE 52 2HG2 ILE 52 0.842 -12.287 -1.954 419 HG23 ILE 52 3HG2 ILE 52 0.958 -12.510 -3.700 420 HD11 ILE 52 3HD1 ILE 52 -3.719 -11.863 -2.724 421 HD12 ILE 52 1HD1 ILE 52 -3.135 -10.216 -2.487 422 HD13 ILE 52 2HD1 ILE 52 -3.731 -11.146 -1.113 423 H LEU 53 H LEU 53 -0.644 -7.765 -3.810 424 HA LEU 53 HA LEU 53 -2.722 -7.730 -5.694 425 HB2 LEU 53 2HB LEU 53 -3.803 -8.367 -3.343 426 HB3 LEU 53 1HB LEU 53 -3.772 -6.626 -3.141 427 HG LEU 53 HG LEU 53 -5.193 -6.296 -5.037 428 HD11 LEU 53 1HD1 LEU 53 -6.004 -8.149 -6.408 429 HD12 LEU 53 2HD1 LEU 53 -4.971 -9.264 -5.513 430 HD13 LEU 53 3HD1 LEU 53 -4.250 -7.995 -6.503 431 HD21 LEU 53 3HD2 LEU 53 -7.011 -8.192 -4.316 432 HD22 LEU 53 1HD2 LEU 53 -6.753 -6.666 -3.471 433 HD23 LEU 53 2HD2 LEU 53 -5.968 -8.135 -2.896 434 H ASP 54 H ASP 54 -2.761 -5.789 -6.683 435 HA ASP 54 HA ASP 54 -0.960 -3.766 -5.747 436 HB2 ASP 54 2HB ASP 54 -2.683 -3.210 -8.087 437 HB3 ASP 54 1HB ASP 54 -0.949 -2.984 -7.887 438 H ILE 55 H ILE 55 -1.462 -1.696 -5.093 439 HA ILE 55 HA ILE 55 -4.233 -1.291 -4.280 440 HB ILE 55 HB ILE 55 -1.636 -0.218 -3.251 441 HG12 ILE 55 2HG1 ILE 55 -3.936 -1.820 -2.200 442 HG13 ILE 55 1HG1 ILE 55 -2.208 -2.124 -2.060 443 HG21 ILE 55 1HG2 ILE 55 -4.283 1.103 -3.197 444 HG22 ILE 55 2HG2 ILE 55 -2.664 1.800 -3.157 445 HG23 ILE 55 3HG2 ILE 55 -3.359 1.102 -1.695 446 HD11 ILE 55 3HD1 ILE 55 -3.926 -0.268 -0.468 447 HD12 ILE 55 1HD1 ILE 55 -2.179 -0.048 -0.552 448 HD13 ILE 55 2HD1 ILE 55 -2.849 -1.548 0.089 449 HA PRO 56 HA PRO 56 -2.851 2.526 -6.933 450 HB2 PRO 56 2HB PRO 56 -1.699 1.809 -9.259 451 HB3 PRO 56 1HB PRO 56 -0.756 2.073 -7.786 452 HG2 PRO 56 2HG PRO 56 -1.672 -0.495 -9.016 453 HG3 PRO 56 1HG PRO 56 -0.102 -0.097 -8.294 454 HD2 PRO 56 2HD PRO 56 -2.059 -1.488 -6.990 455 HD3 PRO 56 1HD PRO 56 -0.844 -0.493 -6.162 456 H ASP 57 H ASP 57 -3.211 2.686 -9.681 457 HA ASP 57 HA ASP 57 -4.799 2.658 -11.309 458 HB2 ASP 57 2HB ASP 57 -4.669 -0.011 -10.371 459 HB3 ASP 57 1HB ASP 57 -6.376 0.376 -10.566 460 H HIS 58 H HIS 58 -7.495 1.699 -11.142 461 HA HIS 58 HA HIS 58 -8.750 3.935 -10.008 462 HB2 HIS 58 2HB HIS 58 -10.348 1.454 -10.318 463 HB3 HIS 58 1HB HIS 58 -10.687 3.088 -10.876 464 HD1 HIS 58 1HD HIS 58 -10.909 0.439 -12.619 465 HD2 HIS 58 2HD HIS 58 -7.788 3.182 -12.694 466 HE1 HIS 58 1HE HIS 58 -9.824 0.161 -14.871 467 HE2 HIS 58 2HE HIS 58 -7.884 1.769 -14.858 468 H ASP 59 H ASP 59 -7.800 0.906 -8.644 469 HA ASP 59 HA ASP 59 -9.568 0.786 -6.462 470 HB2 ASP 59 2HB ASP 59 -6.926 -0.417 -7.125 471 HB3 ASP 59 1HB ASP 59 -7.442 -0.464 -5.442 472 H ALA 60 H ALA 60 -6.352 2.250 -6.791 473 HA ALA 60 HA ALA 60 -6.357 3.227 -4.096 474 HB1 ALA 60 1HB ALA 60 -4.464 3.089 -6.296 475 HB2 ALA 60 2HB ALA 60 -4.179 3.075 -4.556 476 HB3 ALA 60 3HB ALA 60 -4.372 4.609 -5.405 477 H GLU 61 H GLU 61 -7.356 4.380 -7.184 478 HA GLU 61 HA GLU 61 -7.366 7.156 -6.510 479 HB2 GLU 61 2HB GLU 61 -8.929 5.831 -8.721 480 HB3 GLU 61 1HB GLU 61 -8.413 7.509 -8.629 481 HG2 GLU 61 2HG GLU 61 -6.063 6.043 -8.442 482 HG3 GLU 61 1HG GLU 61 -7.022 5.203 -9.659 483 H LYS 62 H LYS 62 -9.665 4.523 -6.366 484 HA LYS 62 HA LYS 62 -11.950 6.151 -5.875 485 HB2 LYS 62 2HB LYS 62 -11.333 3.264 -5.913 486 HB3 LYS 62 1HB LYS 62 -12.663 3.741 -4.867 487 HG2 LYS 62 2HG LYS 62 -12.444 3.828 -7.821 488 HG3 LYS 62 1HG LYS 62 -13.801 3.357 -6.796 489 HD2 LYS 62 2HD LYS 62 -14.059 5.766 -6.172 490 HD3 LYS 62 1HD LYS 62 -12.834 6.152 -7.384 491 HE2 LYS 62 2HE LYS 62 -14.291 4.987 -9.070 492 HE3 LYS 62 1HE LYS 62 -15.542 4.909 -7.829 493 HZ1 LYS 62 3HZ LYS 62 -15.802 6.822 -9.315 494 HZ2 LYS 62 1HZ LYS 62 -14.296 7.415 -8.824 495 HZ3 LYS 62 2HZ LYS 62 -15.564 7.300 -7.710 496 H ILE 63 H ILE 63 -9.366 6.101 -4.088 497 HA ILE 63 HA ILE 63 -10.728 5.807 -1.519 498 HB ILE 63 HB ILE 63 -8.187 4.952 -2.370 499 HG12 ILE 63 2HG1 ILE 63 -8.558 4.940 0.516 500 HG13 ILE 63 1HG1 ILE 63 -10.020 4.450 -0.333 501 HG21 ILE 63 1HG2 ILE 63 -7.958 7.066 -0.234 502 HG22 ILE 63 2HG2 ILE 63 -7.392 7.234 -1.896 503 HG23 ILE 63 3HG2 ILE 63 -6.663 6.031 -0.833 504 HD11 ILE 63 3HD1 ILE 63 -7.337 3.152 -0.286 505 HD12 ILE 63 1HD1 ILE 63 -8.428 2.886 -1.645 506 HD13 ILE 63 2HD1 ILE 63 -8.932 2.451 -0.012 507 H GLN 64 H GLN 64 -11.315 7.598 -0.489 508 HA GLN 64 HA GLN 64 -9.897 10.073 -1.078 509 HB2 GLN 64 2HB GLN 64 -12.124 11.162 -0.358 510 HB3 GLN 64 1HB GLN 64 -12.014 10.444 -1.957 511 HG2 GLN 64 2HG GLN 64 -14.067 9.999 -0.383 512 HG3 GLN 64 1HG GLN 64 -13.438 8.752 -1.460 513 HE21 GLN 64 1HE2 GLN 64 -13.258 6.852 -0.556 514 HE22 GLN 64 2HE2 GLN 64 -12.919 6.535 1.106 515 H SER 65 H SER 65 -10.750 7.836 1.301 516 HA SER 65 HA SER 65 -9.819 9.681 3.392 517 HB2 SER 65 2HB SER 65 -11.423 8.794 4.969 518 HB3 SER 65 1HB SER 65 -12.293 9.348 3.540 519 HG SER 65 HG SER 65 -13.105 7.363 3.948 520 H ILE 66 H ILE 66 -8.862 8.612 5.257 521 HA ILE 66 HA ILE 66 -7.003 6.636 4.519 522 HB ILE 66 HB ILE 66 -7.765 7.225 7.368 523 HG12 ILE 66 2HG1 ILE 66 -7.307 9.249 5.664 524 HG13 ILE 66 1HG1 ILE 66 -6.775 9.280 7.342 525 HG21 ILE 66 1HG2 ILE 66 -6.052 5.430 6.585 526 HG22 ILE 66 2HG2 ILE 66 -5.649 6.499 7.928 527 HG23 ILE 66 3HG2 ILE 66 -4.998 6.819 6.320 528 HD11 ILE 66 3HD1 ILE 66 -5.075 8.417 5.015 529 HD12 ILE 66 1HD1 ILE 66 -4.560 8.596 6.691 530 HD13 ILE 66 2HD1 ILE 66 -5.043 10.015 5.762 531 HA PRO 67 HA PRO 67 -10.120 3.887 7.296 532 HB2 PRO 67 2HB PRO 67 -12.481 4.878 5.765 533 HB3 PRO 67 1HB PRO 67 -12.370 4.358 7.450 534 HG2 PRO 67 2HG PRO 67 -12.514 6.945 6.834 535 HG3 PRO 67 1HG PRO 67 -11.473 6.378 8.152 536 HD2 PRO 67 2HD PRO 67 -10.736 7.282 5.409 537 HD3 PRO 67 1HD PRO 67 -9.855 7.475 6.938 538 H ASP 68 H ASP 68 -11.708 4.557 4.183 539 HA ASP 68 HA ASP 68 -11.887 1.921 3.356 540 HB2 ASP 68 2HB ASP 68 -12.706 4.323 2.342 541 HB3 ASP 68 1HB ASP 68 -11.472 3.856 1.176 542 H ALA 69 H ALA 69 -9.146 3.947 3.480 543 HA ALA 69 HA ALA 69 -7.598 2.826 1.409 544 HB1 ALA 69 1HB ALA 69 -5.717 3.913 2.431 545 HB2 ALA 69 2HB ALA 69 -6.597 4.091 3.949 546 HB3 ALA 69 3HB ALA 69 -7.113 4.987 2.521 547 H VAL 70 H VAL 70 -6.513 2.553 4.717 548 HA VAL 70 HA VAL 70 -5.307 0.041 4.304 549 HB VAL 70 HB VAL 70 -4.518 1.626 6.010 550 HG11 VAL 70 1HG1 VAL 70 -6.181 2.637 7.145 551 HG12 VAL 70 2HG1 VAL 70 -5.988 1.273 8.246 552 HG13 VAL 70 3HG1 VAL 70 -7.256 1.244 7.020 553 HG21 VAL 70 3HG2 VAL 70 -3.937 0.017 7.660 554 HG22 VAL 70 1HG2 VAL 70 -4.071 -0.847 6.129 555 HG23 VAL 70 2HG2 VAL 70 -5.371 -0.949 7.316 556 H GLU 71 H GLU 71 -8.523 0.900 4.989 557 HA GLU 71 HA GLU 71 -9.305 -1.378 6.482 558 HB2 GLU 71 2HB GLU 71 -10.841 0.636 4.854 559 HB3 GLU 71 1HB GLU 71 -11.632 -0.703 5.673 560 HG2 GLU 71 2HG GLU 71 -9.905 1.325 7.066 561 HG3 GLU 71 1HG GLU 71 -11.657 1.455 6.918 562 H TYR 72 H TYR 72 -9.730 -0.537 3.044 563 HA TYR 72 HA TYR 72 -10.854 -3.007 2.301 564 HB2 TYR 72 2HB TYR 72 -11.143 -1.968 0.340 565 HB3 TYR 72 1HB TYR 72 -10.341 -0.569 1.048 566 HD1 TYR 72 1HD TYR 72 -7.765 -0.491 0.866 567 HD2 TYR 72 2HD TYR 72 -10.211 -3.034 -1.511 568 HE1 TYR 72 1HE TYR 72 -5.940 -0.707 -0.769 569 HE2 TYR 72 2HE TYR 72 -8.393 -3.256 -3.153 570 HH TYR 72 HH TYR 72 -5.645 -2.990 -2.905 571 H ILE 73 H ILE 73 -7.568 -1.765 2.009 572 HA ILE 73 HA ILE 73 -6.464 -4.068 0.833 573 HB ILE 73 HB ILE 73 -4.821 -2.591 0.566 574 HG12 ILE 73 2HG1 ILE 73 -3.989 -4.107 2.505 575 HG13 ILE 73 1HG1 ILE 73 -3.079 -2.652 2.113 576 HG21 ILE 73 1HG2 ILE 73 -6.169 -1.109 2.793 577 HG22 ILE 73 2HG2 ILE 73 -6.064 -0.692 1.083 578 HG23 ILE 73 3HG2 ILE 73 -4.641 -0.549 2.115 579 HD11 ILE 73 3HD1 ILE 73 -4.254 -3.412 4.582 580 HD12 ILE 73 1HD1 ILE 73 -5.024 -1.928 4.021 581 HD13 ILE 73 2HD1 ILE 73 -3.271 -1.995 4.210 582 H ALA 74 H ALA 74 -6.639 -2.994 4.177 583 HA ALA 74 HA ALA 74 -5.149 -4.992 5.388 584 HB1 ALA 74 1HB ALA 74 -7.500 -3.410 6.384 585 HB2 ALA 74 2HB ALA 74 -5.787 -3.141 6.706 586 HB3 ALA 74 3HB ALA 74 -6.607 -4.537 7.407 587 H GLN 75 H GLN 75 -8.506 -4.991 4.397 588 HA GLN 75 HA GLN 75 -9.053 -7.566 5.516 589 HB2 GLN 75 2HB GLN 75 -10.577 -5.589 3.882 590 HB3 GLN 75 1HB GLN 75 -11.151 -7.250 3.947 591 HG2 GLN 75 2HG GLN 75 -11.879 -5.332 5.683 592 HG3 GLN 75 1HG GLN 75 -11.879 -7.056 6.056 593 HE21 GLN 75 1HE2 GLN 75 -10.653 -4.015 6.863 594 HE22 GLN 75 2HE2 GLN 75 -9.491 -4.520 8.037 595 H ASN 76 H ASN 76 -7.654 -6.394 2.650 596 HA ASN 76 HA ASN 76 -8.405 -8.375 0.808 597 HB2 ASN 76 2HB ASN 76 -6.389 -6.271 0.979 598 HB3 ASN 76 1HB ASN 76 -5.815 -7.686 0.102 599 HD21 ASN 76 1HD2 ASN 76 -7.824 -4.937 0.045 600 HD22 ASN 76 2HD2 ASN 76 -8.477 -5.159 -1.538 601 HA PRO 77 HA PRO 77 -4.528 -10.851 2.149 602 HB2 PRO 77 2HB PRO 77 -3.047 -10.003 4.229 603 HB3 PRO 77 1HB PRO 77 -2.809 -9.371 2.595 604 HG2 PRO 77 2HG PRO 77 -4.288 -8.161 4.898 605 HG3 PRO 77 1HG PRO 77 -3.193 -7.384 3.738 606 HD2 PRO 77 2HD PRO 77 -5.922 -7.275 3.560 607 HD3 PRO 77 1HD PRO 77 -4.838 -7.149 2.160 608 H MET 78 H MET 78 -6.206 -9.282 4.844 609 HA MET 78 HA MET 78 -6.030 -11.512 6.598 610 HB2 MET 78 2HB MET 78 -6.386 -9.201 7.392 611 HB3 MET 78 1HB MET 78 -7.973 -9.198 6.636 612 HG2 MET 78 2HG MET 78 -8.307 -9.603 8.935 613 HG3 MET 78 1HG MET 78 -8.576 -11.133 8.103 614 HE1 MET 78 3HE MET 78 -5.175 -12.577 8.139 615 HE2 MET 78 1HE MET 78 -6.852 -12.685 7.604 616 HE3 MET 78 2HE MET 78 -6.338 -13.524 9.067 617 H ALA 79 H ALA 79 -8.015 -10.759 3.927 618 HA ALA 79 HA ALA 79 -10.134 -12.548 4.725 619 HB1 ALA 79 1HB ALA 79 -9.770 -10.665 2.434 620 HB2 ALA 79 2HB ALA 79 -11.013 -10.665 3.685 621 HB3 ALA 79 3HB ALA 79 -11.043 -11.886 2.413 622 H LYS 80 H LYS 80 -7.379 -12.439 2.637 623 HA LYS 80 HA LYS 80 -7.145 -13.959 0.713 624 HB2 LYS 80 2HB LYS 80 -6.069 -15.015 3.329 625 HB3 LYS 80 1HB LYS 80 -5.591 -15.634 1.756 626 HG2 LYS 80 2HG LYS 80 -5.345 -12.751 1.922 627 HG3 LYS 80 1HG LYS 80 -4.386 -13.587 3.144 628 HD2 LYS 80 2HD LYS 80 -2.856 -14.027 1.594 629 HD3 LYS 80 1HD LYS 80 -4.046 -15.011 0.739 630 HE2 LYS 80 2HE LYS 80 -3.013 -12.345 0.121 631 HE3 LYS 80 1HE LYS 80 -3.727 -13.558 -0.940 632 HZ1 LYS 80 3HZ LYS 80 -5.033 -11.410 0.571 633 HZ2 LYS 80 1HZ LYS 80 -5.903 -12.830 0.268 634 HZ3 LYS 80 2HZ LYS 80 -5.295 -11.919 -1.020 635 H282 PNS 101 8H2 PNS 101 -0.106 12.953 -11.507 636 H281 PNS 101 9H2 PNS 101 -0.366 11.620 -10.378 637 H303 PNS 101 0H3 PNS 101 1.806 13.181 -8.745 638 H302 PNS 101 1H3 PNS 101 2.655 13.989 -10.064 639 H301 PNS 101 2H3 PNS 101 3.333 12.529 -9.341 640 H313 PNS 101 3H3 PNS 101 1.319 10.486 -9.396 641 H312 PNS 101 4H3 PNS 101 2.917 10.533 -10.142 642 H311 PNS 101 5H3 PNS 101 1.502 10.126 -11.113 643 H32 PNS 101 6H3 PNS 101 1.849 11.573 -12.510 644 H33 PNS 101 7H3 PNS 101 0.640 13.012 -13.089 645 H36 PNS 101 8H3 PNS 101 4.625 11.697 -10.668 646 H372 PNS 101 9H3 PNS 101 4.437 13.875 -9.643 647 H371 PNS 101 0H4 PNS 101 4.254 14.559 -11.257 648 H382 PNS 101 1H4 PNS 101 6.451 15.071 -10.652 649 H381 PNS 101 2H4 PNS 101 6.720 13.480 -9.940 650 H41 PNS 101 3H4 PNS 101 5.078 14.072 -12.819 651 H422 PNS 101 4H4 PNS 101 6.859 14.119 -14.863 652 H421 PNS 101 5H4 PNS 101 6.722 12.405 -14.474 653 H431 PNS 101 7H4 PNS 101 5.188 13.280 -16.301 654 H432 PNS 101 6H4 PNS 101 4.414 12.370 -14.996 655 H44 PNS 101 8H4 PNS 101 2.999 14.497 -15.292 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -2.245 -9.833 9.475 2 H2 MET 1 2HT MET 1 -3.318 -11.078 9.971 3 H3 MET 1 3HT MET 1 -2.199 -10.412 11.088 4 HA MET 1 HA MET 1 -4.459 -9.018 9.818 5 HB2 MET 1 2HB MET 1 -3.959 -10.020 12.628 6 HB3 MET 1 1HB MET 1 -5.304 -8.985 12.168 7 HG2 MET 1 2HG MET 1 -6.245 -11.092 12.183 8 HG3 MET 1 1HG MET 1 -5.873 -10.836 10.479 9 HE1 MET 1 2HE MET 1 -2.725 -13.043 12.975 10 HE2 MET 1 3HE MET 1 -3.866 -11.894 13.673 11 HE3 MET 1 1HE MET 1 -2.667 -11.347 12.501 12 H ASN 2 H ASN 2 -2.813 -8.594 12.908 13 HA ASN 2 HA ASN 2 -2.712 -5.807 12.725 14 HB2 ASN 2 2HB ASN 2 -0.986 -7.631 14.406 15 HB3 ASN 2 1HB ASN 2 -1.194 -5.900 14.657 16 HD21 ASN 2 1HD2 ASN 2 -1.880 -8.445 16.195 17 HD22 ASN 2 2HD2 ASN 2 -3.519 -8.196 16.681 18 H ASP 3 H ASP 3 -0.488 -8.262 11.691 19 HA ASP 3 HA ASP 3 1.838 -6.786 11.391 20 HB2 ASP 3 2HB ASP 3 2.665 -8.576 10.217 21 HB3 ASP 3 1HB ASP 3 1.280 -9.339 10.991 22 H VAL 4 H VAL 4 -1.010 -6.862 9.380 23 HA VAL 4 HA VAL 4 0.164 -5.633 7.111 24 HB VAL 4 HB VAL 4 -2.413 -6.616 7.830 25 HG11 VAL 4 1HG1 VAL 4 -2.403 -3.924 6.475 26 HG12 VAL 4 2HG1 VAL 4 -3.112 -4.310 8.044 27 HG13 VAL 4 3HG1 VAL 4 -3.794 -5.004 6.573 28 HG21 VAL 4 3HG2 VAL 4 -0.660 -6.791 5.740 29 HG22 VAL 4 1HG2 VAL 4 -1.976 -5.838 5.052 30 HG23 VAL 4 2HG2 VAL 4 -2.306 -7.424 5.747 31 H LEU 5 H LEU 5 -2.064 -4.285 9.562 32 HA LEU 5 HA LEU 5 -1.777 -1.640 8.620 33 HB2 LEU 5 2HB LEU 5 -2.952 -0.959 10.661 34 HB3 LEU 5 1HB LEU 5 -3.770 -2.244 9.805 35 HG LEU 5 HG LEU 5 -3.805 -2.474 12.277 36 HD11 LEU 5 1HD1 LEU 5 -3.649 -4.362 10.392 37 HD12 LEU 5 2HD1 LEU 5 -3.855 -4.713 12.109 38 HD13 LEU 5 3HD1 LEU 5 -2.253 -4.806 11.373 39 HD21 LEU 5 3HD2 LEU 5 -1.057 -3.484 12.383 40 HD22 LEU 5 1HD2 LEU 5 -1.969 -2.543 13.560 41 HD23 LEU 5 2HD2 LEU 5 -1.193 -1.737 12.199 42 H THR 6 H THR 6 -0.111 -3.499 11.043 43 HA THR 6 HA THR 6 1.193 -1.390 12.351 44 HB THR 6 HB THR 6 1.173 -3.507 13.418 45 HG1 THR 6 1HG THR 6 3.372 -2.207 13.069 46 HG21 THR 6 3HG2 THR 6 2.993 -4.973 11.717 47 HG22 THR 6 1HG2 THR 6 1.469 -4.602 10.909 48 HG23 THR 6 2HG2 THR 6 1.465 -5.473 12.444 49 H ARG 7 H ARG 7 2.348 -3.502 9.761 50 HA ARG 7 HA ARG 7 4.763 -2.028 9.412 51 HB2 ARG 7 2HB ARG 7 4.786 -4.392 8.953 52 HB3 ARG 7 1HB ARG 7 3.477 -4.225 7.791 53 HG2 ARG 7 2HG ARG 7 6.237 -3.060 7.487 54 HG3 ARG 7 1HG ARG 7 5.649 -4.530 6.708 55 HD2 ARG 7 2HD ARG 7 3.747 -2.948 5.848 56 HD3 ARG 7 1HD ARG 7 4.924 -1.682 6.191 57 HE ARG 7 HE ARG 7 5.032 -3.632 4.067 58 HH11 ARG 7 1HH1 ARG 7 6.828 -1.375 6.019 59 HH12 ARG 7 2HH1 ARG 7 8.106 -1.194 4.865 60 HH21 ARG 7 1HH2 ARG 7 6.710 -3.401 2.540 61 HH22 ARG 7 2HH2 ARG 7 8.039 -2.345 2.886 62 H VAL 8 H VAL 8 1.804 -2.475 7.520 63 HA VAL 8 HA VAL 8 2.479 -0.789 5.406 64 HB VAL 8 HB VAL 8 0.385 -2.414 5.879 65 HG11 VAL 8 1HG1 VAL 8 -0.737 -0.932 7.407 66 HG12 VAL 8 2HG1 VAL 8 -1.663 -1.013 5.908 67 HG13 VAL 8 3HG1 VAL 8 -0.653 0.393 6.246 68 HG21 VAL 8 3HG2 VAL 8 -0.670 -1.030 3.867 69 HG22 VAL 8 1HG2 VAL 8 0.761 -2.043 3.672 70 HG23 VAL 8 2HG2 VAL 8 0.936 -0.299 3.879 71 H LEU 9 H LEU 9 0.564 -0.105 8.327 72 HA LEU 9 HA LEU 9 0.016 2.580 7.792 73 HB2 LEU 9 2HB LEU 9 -0.671 2.767 10.002 74 HB3 LEU 9 1HB LEU 9 -0.878 1.062 9.664 75 HG LEU 9 HG LEU 9 1.425 0.735 10.735 76 HD11 LEU 9 1HD1 LEU 9 1.131 3.597 10.959 77 HD12 LEU 9 2HD1 LEU 9 2.542 2.582 11.258 78 HD13 LEU 9 3HD1 LEU 9 1.360 2.849 12.540 79 HD21 LEU 9 3HD2 LEU 9 0.405 0.984 13.064 80 HD22 LEU 9 1HD2 LEU 9 -0.431 -0.062 11.918 81 HD23 LEU 9 2HD2 LEU 9 -1.040 1.561 12.235 82 H GLU 10 H GLU 10 2.773 1.118 9.477 83 HA GLU 10 HA GLU 10 4.027 3.521 10.209 84 HB2 GLU 10 2HB GLU 10 6.017 2.178 10.591 85 HB3 GLU 10 1HB GLU 10 4.596 1.341 11.198 86 HG2 GLU 10 2HG GLU 10 4.741 -0.318 9.663 87 HG3 GLU 10 1HG GLU 10 5.440 0.730 8.430 88 H VAL 11 H VAL 11 4.106 1.640 7.274 89 HA VAL 11 HA VAL 11 6.333 2.828 6.065 90 HB VAL 11 HB VAL 11 4.002 1.881 4.511 91 HG11 VAL 11 1HG1 VAL 11 6.815 1.251 3.843 92 HG12 VAL 11 2HG1 VAL 11 6.261 2.911 3.615 93 HG13 VAL 11 3HG1 VAL 11 5.449 1.587 2.778 94 HG21 VAL 11 3HG2 VAL 11 5.667 -0.307 4.799 95 HG22 VAL 11 1HG2 VAL 11 4.087 -0.086 5.552 96 HG23 VAL 11 2HG2 VAL 11 5.551 0.370 6.424 97 H VAL 12 H VAL 12 2.920 3.635 5.887 98 HA VAL 12 HA VAL 12 3.262 5.807 4.083 99 HB VAL 12 HB VAL 12 1.071 5.404 3.947 100 HG11 VAL 12 1HG1 VAL 12 1.017 3.367 5.065 101 HG12 VAL 12 2HG1 VAL 12 -0.192 4.325 5.920 102 HG13 VAL 12 3HG1 VAL 12 1.411 4.099 6.621 103 HG21 VAL 12 3HG2 VAL 12 -0.366 6.540 5.702 104 HG22 VAL 12 1HG2 VAL 12 0.830 7.552 4.893 105 HG23 VAL 12 2HG2 VAL 12 1.138 6.954 6.523 106 H LYS 13 H LYS 13 2.739 5.649 7.597 107 HA LYS 13 HA LYS 13 2.770 8.396 8.095 108 HB2 LYS 13 2HB LYS 13 2.758 7.842 10.320 109 HB3 LYS 13 1HB LYS 13 2.244 6.311 9.627 110 HG2 LYS 13 2HG LYS 13 4.329 5.319 9.964 111 HG3 LYS 13 1HG LYS 13 5.133 6.880 10.189 112 HD2 LYS 13 2HD LYS 13 3.192 5.536 12.067 113 HD3 LYS 13 1HD LYS 13 4.915 5.807 12.330 114 HE2 LYS 13 2HE LYS 13 2.816 7.953 12.039 115 HE3 LYS 13 1HE LYS 13 3.542 7.424 13.556 116 HZ1 LYS 13 3HZ LYS 13 5.157 8.492 11.316 117 HZ2 LYS 13 1HZ LYS 13 5.617 8.290 12.932 118 HZ3 LYS 13 2HZ LYS 13 4.501 9.490 12.514 119 H ASN 14 H ASN 14 5.446 6.051 8.245 120 HA ASN 14 HA ASN 14 7.357 8.137 8.730 121 HB2 ASN 14 2HB ASN 14 7.987 5.265 8.082 122 HB3 ASN 14 1HB ASN 14 8.973 6.417 8.979 123 HD21 ASN 14 1HD2 ASN 14 7.066 3.798 9.293 124 HD22 ASN 14 2HD2 ASN 14 6.544 3.997 10.927 125 H PHE 15 H PHE 15 5.801 7.106 6.032 126 HA PHE 15 HA PHE 15 7.899 6.939 4.148 127 HB2 PHE 15 2HB PHE 15 5.040 6.792 4.128 128 HB3 PHE 15 1HB PHE 15 5.568 7.872 2.844 129 HD1 PHE 15 1HD PHE 15 7.817 5.228 3.875 130 HD2 PHE 15 2HD PHE 15 4.666 6.266 1.210 131 HE1 PHE 15 1HE PHE 15 8.368 3.283 2.473 132 HE2 PHE 15 2HE PHE 15 5.210 4.321 -0.197 133 HZ PHE 15 HZ PHE 15 7.064 2.827 0.434 134 H GLU 16 H GLU 16 5.988 9.576 5.401 135 HA GLU 16 HA GLU 16 7.156 11.727 5.560 136 HB2 GLU 16 2HB GLU 16 8.272 12.644 3.663 137 HB3 GLU 16 1HB GLU 16 8.850 10.999 3.861 138 HG2 GLU 16 2HG GLU 16 7.726 12.212 1.576 139 HG3 GLU 16 1HG GLU 16 8.317 10.564 1.768 140 H LYS 17 H LYS 17 4.689 10.278 3.820 141 HA LYS 17 HA LYS 17 3.525 12.498 2.533 142 HB2 LYS 17 2HB LYS 17 1.373 11.009 2.926 143 HB3 LYS 17 1HB LYS 17 2.599 10.561 1.753 144 HG2 LYS 17 2HG LYS 17 3.170 9.518 4.398 145 HG3 LYS 17 1HG LYS 17 1.611 8.975 3.770 146 HD2 LYS 17 2HD LYS 17 3.960 8.916 1.956 147 HD3 LYS 17 1HD LYS 17 3.849 7.685 3.217 148 HE2 LYS 17 2HE LYS 17 1.319 7.683 2.190 149 HE3 LYS 17 1HE LYS 17 2.292 8.016 0.758 150 HZ1 LYS 17 3HZ LYS 17 3.399 5.925 2.364 151 HZ2 LYS 17 1HZ LYS 17 3.025 5.934 0.713 152 HZ3 LYS 17 2HZ LYS 17 1.829 5.561 1.850 153 H VAL 18 H VAL 18 3.268 11.240 5.807 154 HA VAL 18 HA VAL 18 2.591 13.663 6.973 155 HB VAL 18 HB VAL 18 0.132 12.876 7.589 156 HG11 VAL 18 1HG1 VAL 18 1.272 14.832 5.960 157 HG12 VAL 18 2HG1 VAL 18 -0.370 14.803 6.603 158 HG13 VAL 18 3HG1 VAL 18 -0.037 14.137 5.004 159 HG21 VAL 18 3HG2 VAL 18 -0.997 11.644 6.018 160 HG22 VAL 18 1HG2 VAL 18 0.590 10.882 5.937 161 HG23 VAL 18 2HG2 VAL 18 0.119 12.070 4.722 162 H ASP 19 H ASP 19 2.564 13.529 9.190 163 HA ASP 19 HA ASP 19 3.461 11.081 10.330 164 HB2 ASP 19 2HB ASP 19 2.729 13.726 11.593 165 HB3 ASP 19 1HB ASP 19 3.436 12.373 12.473 166 H ALA 20 H ALA 20 2.442 9.783 11.873 167 HA ALA 20 HA ALA 20 -0.303 9.331 11.504 168 HB1 ALA 20 1HB ALA 20 0.066 7.979 13.735 169 HB2 ALA 20 2HB ALA 20 1.763 8.302 13.380 170 HB3 ALA 20 3HB ALA 20 0.767 7.437 12.210 171 H SER 21 H SER 21 1.346 11.565 13.482 172 HA SER 21 HA SER 21 -0.509 11.815 15.594 173 HB2 SER 21 2HB SER 21 0.920 13.381 16.376 174 HB3 SER 21 1HB SER 21 1.964 12.874 15.047 175 HG SER 21 HG SER 21 0.827 14.524 13.783 176 H LYS 22 H LYS 22 -0.646 12.733 12.324 177 HA LYS 22 HA LYS 22 -2.747 14.695 12.843 178 HB2 LYS 22 2HB LYS 22 -2.451 15.404 10.521 179 HB3 LYS 22 1HB LYS 22 -0.930 15.467 11.400 180 HG2 LYS 22 2HG LYS 22 -1.159 12.902 10.202 181 HG3 LYS 22 1HG LYS 22 -1.517 14.126 8.982 182 HD2 LYS 22 2HD LYS 22 0.953 13.932 10.702 183 HD3 LYS 22 1HD LYS 22 0.845 13.684 8.958 184 HE2 LYS 22 2HE LYS 22 -0.250 16.223 9.471 185 HE3 LYS 22 1HE LYS 22 1.228 16.118 10.428 186 HZ1 LYS 22 3HZ LYS 22 1.186 16.836 7.874 187 HZ2 LYS 22 1HZ LYS 22 1.415 15.169 7.688 188 HZ3 LYS 22 2HZ LYS 22 2.514 16.078 8.597 189 H VAL 23 H VAL 23 -2.236 11.496 11.842 190 HA VAL 23 HA VAL 23 -4.610 11.280 10.229 191 HB VAL 23 HB VAL 23 -4.067 9.009 9.910 192 HG11 VAL 23 1HG1 VAL 23 -1.475 9.130 9.605 193 HG12 VAL 23 2HG1 VAL 23 -1.703 10.825 10.033 194 HG13 VAL 23 3HG1 VAL 23 -2.532 10.151 8.630 195 HG21 VAL 23 3HG2 VAL 23 -3.656 7.911 11.837 196 HG22 VAL 23 1HG2 VAL 23 -2.803 9.277 12.555 197 HG23 VAL 23 2HG2 VAL 23 -1.970 8.218 11.417 198 H THR 24 H THR 24 -6.589 10.922 10.950 199 HA THR 24 HA THR 24 -6.938 9.945 13.669 200 HB THR 24 HB THR 24 -9.155 11.351 12.353 201 HG1 THR 24 1HG THR 24 -7.155 12.542 11.869 202 HG21 THR 24 3HG2 THR 24 -8.531 12.479 14.840 203 HG22 THR 24 1HG2 THR 24 -8.356 10.733 15.015 204 HG23 THR 24 2HG2 THR 24 -9.877 11.412 14.436 205 HA PRO 25 HA PRO 25 -9.187 6.384 12.434 206 HB2 PRO 25 2HB PRO 25 -11.489 7.316 14.068 207 HB3 PRO 25 1HB PRO 25 -10.596 5.793 14.147 208 HG2 PRO 25 2HG PRO 25 -10.251 7.676 16.002 209 HG3 PRO 25 1HG PRO 25 -8.885 6.709 15.414 210 HD2 PRO 25 2HD PRO 25 -9.635 9.527 14.760 211 HD3 PRO 25 1HD PRO 25 -8.026 8.808 14.978 212 H GLU 26 H GLU 26 -11.016 9.409 12.427 213 HA GLU 26 HA GLU 26 -12.649 8.406 10.224 214 HB2 GLU 26 2HB GLU 26 -14.081 9.234 11.882 215 HB3 GLU 26 1HB GLU 26 -13.038 10.607 12.223 216 HG2 GLU 26 2HG GLU 26 -14.915 11.468 11.104 217 HG3 GLU 26 1HG GLU 26 -13.603 11.464 9.927 218 H SER 27 H SER 27 -9.902 10.154 10.756 219 HA SER 27 HA SER 27 -10.129 12.362 9.052 220 HB2 SER 27 2HB SER 27 -8.252 11.929 10.664 221 HB3 SER 27 1HB SER 27 -7.625 10.734 9.530 222 HG SER 27 HG SER 27 -7.774 13.527 9.278 223 H HIS 28 H HIS 28 -10.093 12.611 6.910 224 HA HIS 28 HA HIS 28 -10.207 10.292 5.240 225 HB2 HIS 28 2HB HIS 28 -10.098 13.036 4.088 226 HB3 HIS 28 1HB HIS 28 -11.096 11.663 3.619 227 HD1 HIS 28 1HD HIS 28 -12.886 11.048 5.767 228 HD2 HIS 28 2HD HIS 28 -11.611 14.962 5.201 229 HE1 HIS 28 1HE HIS 28 -14.591 12.485 6.930 230 HE2 HIS 28 2HE HIS 28 -13.844 14.852 6.501 231 H PHE 29 H PHE 29 -8.822 9.807 3.497 232 HA PHE 29 HA PHE 29 -6.079 10.234 4.007 233 HB2 PHE 29 2HB PHE 29 -7.309 8.279 2.769 234 HB3 PHE 29 1HB PHE 29 -7.053 9.283 1.346 235 HD1 PHE 29 2HD PHE 29 -4.425 10.420 1.791 236 HD2 PHE 29 1HD PHE 29 -5.859 6.498 2.608 237 HE1 PHE 29 2HE PHE 29 -2.134 9.543 1.586 238 HE2 PHE 29 1HE PHE 29 -3.572 5.614 2.404 239 HZ PHE 29 HZ PHE 29 -1.706 7.138 1.893 240 H VAL 30 H VAL 30 -7.484 10.807 0.842 241 HA VAL 30 HA VAL 30 -5.646 12.751 0.084 242 HB VAL 30 HB VAL 30 -7.209 13.325 -1.739 243 HG11 VAL 30 1HG1 VAL 30 -7.218 11.142 -2.807 244 HG12 VAL 30 2HG1 VAL 30 -6.963 10.359 -1.247 245 HG13 VAL 30 3HG1 VAL 30 -5.708 11.393 -1.931 246 HG21 VAL 30 3HG2 VAL 30 -9.202 11.387 -1.473 247 HG22 VAL 30 1HG2 VAL 30 -9.394 13.136 -1.366 248 HG23 VAL 30 2HG2 VAL 30 -9.118 12.190 0.095 249 H LYS 31 H LYS 31 -8.658 13.048 1.774 250 HA LYS 31 HA LYS 31 -8.863 15.876 1.489 251 HB2 LYS 31 2HB LYS 31 -10.271 14.682 3.765 252 HB3 LYS 31 1HB LYS 31 -10.893 15.653 2.439 253 HG2 LYS 31 2HG LYS 31 -10.813 13.654 0.987 254 HG3 LYS 31 1HG LYS 31 -10.308 12.701 2.383 255 HD2 LYS 31 2HD LYS 31 -12.502 12.343 2.681 256 HD3 LYS 31 1HD LYS 31 -12.520 13.978 3.344 257 HE2 LYS 31 2HE LYS 31 -12.758 13.724 0.406 258 HE3 LYS 31 1HE LYS 31 -14.136 13.182 1.362 259 HZ1 LYS 31 3HZ LYS 31 -14.706 15.334 1.256 260 HZ2 LYS 31 1HZ LYS 31 -13.134 15.861 0.916 261 HZ3 LYS 31 2HZ LYS 31 -13.590 15.531 2.511 262 H ASP 32 H ASP 32 -7.129 13.783 3.571 263 HA ASP 32 HA ASP 32 -6.842 15.724 5.676 264 HB2 ASP 32 2HB ASP 32 -6.940 13.479 6.435 265 HB3 ASP 32 1HB ASP 32 -5.736 12.956 5.261 266 H LEU 33 H LEU 33 -5.560 15.484 2.699 267 HA LEU 33 HA LEU 33 -3.824 17.394 2.533 268 HB2 LEU 33 2HB LEU 33 -2.633 15.369 4.346 269 HB3 LEU 33 1HB LEU 33 -1.557 16.118 3.182 270 HG LEU 33 HG LEU 33 -3.215 18.041 4.642 271 HD11 LEU 33 1HD1 LEU 33 -2.924 17.274 6.701 272 HD12 LEU 33 2HD1 LEU 33 -1.187 17.473 6.481 273 HD13 LEU 33 3HD1 LEU 33 -1.950 15.925 6.115 274 HD21 LEU 33 3HD2 LEU 33 -1.227 18.462 3.115 275 HD22 LEU 33 1HD2 LEU 33 -0.223 17.868 4.437 276 HD23 LEU 33 2HD2 LEU 33 -1.227 19.298 4.668 277 H GLY 34 H GLY 34 -4.664 14.272 1.714 278 HA2 GLY 34 2HA GLY 34 -3.916 12.802 0.048 279 HA3 GLY 34 1HA GLY 34 -4.300 14.232 -0.898 280 H LEU 35 H LEU 35 -1.878 12.071 0.052 281 HA LEU 35 HA LEU 35 0.416 13.686 -0.252 282 HB2 LEU 35 2HB LEU 35 1.003 11.027 -1.056 283 HB3 LEU 35 1HB LEU 35 1.401 11.825 0.453 284 HG LEU 35 HG LEU 35 -0.879 11.160 1.297 285 HD11 LEU 35 1HD1 LEU 35 -2.358 10.177 -0.031 286 HD12 LEU 35 2HD1 LEU 35 -1.194 8.932 -0.486 287 HD13 LEU 35 3HD1 LEU 35 -1.259 10.450 -1.383 288 HD21 LEU 35 3HD2 LEU 35 0.026 8.549 1.006 289 HD22 LEU 35 1HD2 LEU 35 0.430 9.672 2.305 290 HD23 LEU 35 2HD2 LEU 35 1.480 9.541 0.894 291 H ASN 36 H ASN 36 1.953 13.670 -2.006 292 HA ASN 36 HA ASN 36 0.839 14.270 -4.488 293 HB2 ASN 36 2HB ASN 36 3.431 13.594 -5.116 294 HB3 ASN 36 1HB ASN 36 2.899 15.166 -4.538 295 HD21 ASN 36 1HD2 ASN 36 3.067 12.180 -2.733 296 HD22 ASN 36 2HD2 ASN 36 4.264 12.704 -1.602 297 H SER 37 H SER 37 1.825 13.108 -6.559 298 HA SER 37 HA SER 37 0.494 10.639 -6.753 299 HB2 SER 37 2HB SER 37 2.453 12.022 -8.579 300 HB3 SER 37 1HB SER 37 1.676 10.494 -8.997 301 H LEU 38 H LEU 38 3.939 11.400 -6.749 302 HA LEU 38 HA LEU 38 4.905 8.797 -6.933 303 HB2 LEU 38 2HB LEU 38 7.008 9.641 -6.186 304 HB3 LEU 38 1HB LEU 38 6.259 10.855 -7.202 305 HG LEU 38 HG LEU 38 7.280 11.147 -4.583 306 HD11 LEU 38 1HD1 LEU 38 6.032 12.874 -6.663 307 HD12 LEU 38 2HD1 LEU 38 7.674 12.889 -6.020 308 HD13 LEU 38 3HD1 LEU 38 6.346 13.539 -5.060 309 HD21 LEU 38 3HD2 LEU 38 5.224 12.359 -3.651 310 HD22 LEU 38 1HD2 LEU 38 5.276 10.602 -3.524 311 HD23 LEU 38 2HD2 LEU 38 4.299 11.367 -4.776 312 H ASP 39 H ASP 39 3.174 10.206 -4.420 313 HA ASP 39 HA ASP 39 4.358 8.686 -2.272 314 HB2 ASP 39 2HB ASP 39 2.245 10.722 -2.544 315 HB3 ASP 39 1HB ASP 39 1.961 9.525 -1.285 316 H VAL 40 H VAL 40 0.913 8.786 -2.541 317 HA VAL 40 HA VAL 40 0.254 6.326 -1.772 318 HB VAL 40 HB VAL 40 -1.183 8.283 -2.938 319 HG11 VAL 40 1HG1 VAL 40 -0.342 7.069 -5.165 320 HG12 VAL 40 2HG1 VAL 40 -1.915 7.853 -5.041 321 HG13 VAL 40 3HG1 VAL 40 -1.784 6.105 -4.849 322 HG21 VAL 40 3HG2 VAL 40 -2.580 7.130 -1.636 323 HG22 VAL 40 1HG2 VAL 40 -1.697 5.625 -1.893 324 HG23 VAL 40 2HG2 VAL 40 -2.924 6.136 -3.052 325 H VAL 41 H VAL 41 1.554 7.121 -4.939 326 HA VAL 41 HA VAL 41 1.122 4.626 -6.167 327 HB VAL 41 HB VAL 41 2.764 5.296 -7.818 328 HG11 VAL 41 1HG1 VAL 41 1.853 7.813 -8.039 329 HG12 VAL 41 2HG1 VAL 41 0.690 7.173 -6.877 330 HG13 VAL 41 3HG1 VAL 41 0.890 6.393 -8.445 331 HG21 VAL 41 3HG2 VAL 41 3.485 7.452 -5.839 332 HG22 VAL 41 1HG2 VAL 41 4.004 7.443 -7.524 333 HG23 VAL 41 2HG2 VAL 41 4.519 6.154 -6.435 334 H GLU 42 H GLU 42 4.120 5.962 -4.744 335 HA GLU 42 HA GLU 42 5.658 3.658 -4.985 336 HB2 GLU 42 2HB GLU 42 7.243 4.881 -3.971 337 HB3 GLU 42 1HB GLU 42 6.068 6.189 -4.006 338 HG2 GLU 42 2HG GLU 42 6.653 6.224 -1.807 339 HG3 GLU 42 1HG GLU 42 5.281 5.118 -1.746 340 H VAL 43 H VAL 43 3.465 4.662 -2.450 341 HA VAL 43 HA VAL 43 4.062 2.590 -0.629 342 HB VAL 43 HB VAL 43 2.920 4.218 0.486 343 HG11 VAL 43 1HG1 VAL 43 1.859 5.858 -0.570 344 HG12 VAL 43 2HG1 VAL 43 0.602 4.753 -1.118 345 HG13 VAL 43 3HG1 VAL 43 2.068 4.963 -2.072 346 HG21 VAL 43 3HG2 VAL 43 1.726 1.970 0.631 347 HG22 VAL 43 1HG2 VAL 43 0.504 2.720 -0.389 348 HG23 VAL 43 2HG2 VAL 43 0.858 3.400 1.196 349 H VAL 44 H VAL 44 1.627 2.932 -3.144 350 HA VAL 44 HA VAL 44 0.150 0.626 -2.615 351 HB VAL 44 HB VAL 44 -0.652 0.729 -4.879 352 HG11 VAL 44 1HG1 VAL 44 -0.593 3.538 -4.818 353 HG12 VAL 44 2HG1 VAL 44 -0.562 2.994 -3.142 354 HG13 VAL 44 3HG1 VAL 44 -1.856 2.466 -4.217 355 HG21 VAL 44 3HG2 VAL 44 1.053 2.921 -5.794 356 HG22 VAL 44 1HG2 VAL 44 0.512 1.473 -6.645 357 HG23 VAL 44 2HG2 VAL 44 1.908 1.395 -5.568 358 H PHE 45 H PHE 45 3.212 1.089 -4.183 359 HA PHE 45 HA PHE 45 3.366 -1.542 -5.292 360 HB2 PHE 45 2HB PHE 45 4.842 0.885 -5.480 361 HB3 PHE 45 1HB PHE 45 5.954 -0.389 -4.984 362 HD1 PHE 45 1HD PHE 45 6.154 -2.433 -6.372 363 HD2 PHE 45 2HD PHE 45 4.029 1.008 -7.680 364 HE1 PHE 45 1HE PHE 45 6.295 -3.240 -8.697 365 HE2 PHE 45 2HE PHE 45 4.161 0.214 -10.008 366 HZ PHE 45 HZ PHE 45 5.296 -1.913 -10.518 367 H ALA 46 H ALA 46 4.283 0.037 -2.355 368 HA ALA 46 HA ALA 46 6.019 -1.979 -1.374 369 HB1 ALA 46 1HB ALA 46 5.022 -0.606 0.827 370 HB2 ALA 46 2HB ALA 46 5.034 0.572 -0.485 371 HB3 ALA 46 3HB ALA 46 6.518 -0.274 -0.044 372 H ILE 47 H ILE 47 3.059 -0.948 0.214 373 HA ILE 47 HA ILE 47 2.557 -3.183 1.684 374 HB ILE 47 HB ILE 47 0.394 -2.438 2.040 375 HG12 ILE 47 2HG1 ILE 47 -0.125 -2.633 -0.501 376 HG13 ILE 47 1HG1 ILE 47 -1.067 -1.514 0.475 377 HG21 ILE 47 1HG2 ILE 47 2.085 -0.710 2.549 378 HG22 ILE 47 2HG2 ILE 47 0.496 -0.034 2.187 379 HG23 ILE 47 3HG2 ILE 47 1.774 0.019 0.973 380 HD11 ILE 47 3HD1 ILE 47 0.865 -0.984 -1.680 381 HD12 ILE 47 1HD1 ILE 47 0.889 0.130 -0.312 382 HD13 ILE 47 2HD1 ILE 47 -0.602 -0.118 -1.221 383 H GLU 48 H GLU 48 1.452 -2.598 -1.653 384 HA GLU 48 HA GLU 48 -0.014 -4.936 -1.988 385 HB2 GLU 48 2HB GLU 48 1.549 -3.259 -3.938 386 HB3 GLU 48 1HB GLU 48 0.632 -4.667 -4.453 387 HG2 GLU 48 2HG GLU 48 -0.366 -2.087 -3.318 388 HG3 GLU 48 1HG GLU 48 -0.803 -2.880 -4.830 389 H GLN 49 H GLN 49 3.417 -4.351 -2.191 390 HA GLN 49 HA GLN 49 4.253 -6.736 -3.369 391 HB2 GLN 49 2HB GLN 49 6.364 -6.065 -2.848 392 HB3 GLN 49 1HB GLN 49 5.544 -4.546 -2.513 393 HG2 GLN 49 2HG GLN 49 5.392 -5.220 -0.130 394 HG3 GLN 49 1HG GLN 49 6.360 -6.642 -0.516 395 HE21 GLN 49 1HE2 GLN 49 6.775 -3.459 -1.918 396 HE22 GLN 49 2HE2 GLN 49 8.323 -3.144 -1.221 397 H GLU 50 H GLU 50 3.830 -5.951 0.077 398 HA GLU 50 HA GLU 50 3.949 -8.800 0.667 399 HB2 GLU 50 2HB GLU 50 4.877 -8.333 2.693 400 HB3 GLU 50 1HB GLU 50 5.391 -6.883 1.840 401 HG2 GLU 50 2HG GLU 50 3.196 -5.857 2.705 402 HG3 GLU 50 1HG GLU 50 3.185 -7.212 3.835 403 H PHE 51 H PHE 51 1.625 -7.601 -0.466 404 HA PHE 51 HA PHE 51 -0.267 -8.033 1.702 405 HB2 PHE 51 2HB PHE 51 -0.123 -5.798 -0.244 406 HB3 PHE 51 1HB PHE 51 -1.724 -6.412 0.150 407 HD1 PHE 51 1HD PHE 51 0.335 -6.940 2.919 408 HD2 PHE 51 2HD PHE 51 -1.764 -3.865 0.860 409 HE1 PHE 51 1HE PHE 51 0.322 -5.583 4.970 410 HE2 PHE 51 2HE PHE 51 -1.782 -2.502 2.908 411 HZ PHE 51 HZ PHE 51 -0.738 -3.360 4.967 412 H ILE 52 H ILE 52 0.758 -8.800 -1.445 413 HA ILE 52 HA ILE 52 0.034 -10.324 -2.975 414 HB ILE 52 HB ILE 52 -2.161 -11.185 -1.128 415 HG12 ILE 52 2HG1 ILE 52 0.049 -12.783 -0.543 416 HG13 ILE 52 1HG1 ILE 52 0.668 -11.136 -0.538 417 HG21 ILE 52 1HG2 ILE 52 -2.348 -12.584 -2.879 418 HG22 ILE 52 2HG2 ILE 52 -0.999 -13.421 -2.113 419 HG23 ILE 52 3HG2 ILE 52 -0.699 -12.282 -3.427 420 HD11 ILE 52 3HD1 ILE 52 -1.588 -12.229 1.113 421 HD12 ILE 52 1HD1 ILE 52 -1.153 -10.522 1.031 422 HD13 ILE 52 2HD1 ILE 52 -0.003 -11.695 1.675 423 H LEU 53 H LEU 53 -0.944 -7.708 -3.121 424 HA LEU 53 HA LEU 53 -3.168 -8.085 -4.846 425 HB2 LEU 53 2HB LEU 53 -4.423 -8.098 -2.790 426 HB3 LEU 53 1HB LEU 53 -3.609 -6.648 -2.235 427 HG LEU 53 HG LEU 53 -4.667 -5.436 -4.187 428 HD11 LEU 53 1HD1 LEU 53 -5.475 -8.085 -4.827 429 HD12 LEU 53 2HD1 LEU 53 -5.766 -6.594 -5.721 430 HD13 LEU 53 3HD1 LEU 53 -6.916 -7.124 -4.494 431 HD21 LEU 53 3HD2 LEU 53 -5.473 -5.406 -1.799 432 HD22 LEU 53 1HD2 LEU 53 -6.653 -6.632 -2.266 433 HD23 LEU 53 2HD2 LEU 53 -6.691 -5.037 -3.020 434 H ASP 54 H ASP 54 -3.922 -5.936 -5.752 435 HA ASP 54 HA ASP 54 -1.715 -4.033 -5.754 436 HB2 ASP 54 2HB ASP 54 -3.475 -4.840 -8.068 437 HB3 ASP 54 1HB ASP 54 -2.270 -3.556 -8.126 438 H ILE 55 H ILE 55 -2.188 -1.853 -5.745 439 HA ILE 55 HA ILE 55 -5.013 -1.157 -5.400 440 HB ILE 55 HB ILE 55 -2.640 0.074 -4.003 441 HG12 ILE 55 2HG1 ILE 55 -4.889 -1.696 -3.034 442 HG13 ILE 55 1HG1 ILE 55 -3.165 -2.051 -3.014 443 HG21 ILE 55 1HG2 ILE 55 -5.193 1.163 -4.601 444 HG22 ILE 55 2HG2 ILE 55 -3.889 1.869 -3.644 445 HG23 ILE 55 3HG2 ILE 55 -5.112 0.866 -2.864 446 HD11 ILE 55 3HD1 ILE 55 -3.265 0.229 -1.543 447 HD12 ILE 55 1HD1 ILE 55 -3.283 -1.406 -0.882 448 HD13 ILE 55 2HD1 ILE 55 -4.798 -0.537 -1.126 449 HA PRO 56 HA PRO 56 -2.639 1.700 -8.443 450 HB2 PRO 56 2HB PRO 56 -2.549 0.343 -10.762 451 HB3 PRO 56 1HB PRO 56 -1.284 0.180 -9.536 452 HG2 PRO 56 2HG PRO 56 -3.594 -1.630 -10.128 453 HG3 PRO 56 1HG PRO 56 -1.908 -2.047 -9.771 454 HD2 PRO 56 2HD PRO 56 -3.921 -2.152 -7.920 455 HD3 PRO 56 1HD PRO 56 -2.217 -1.873 -7.506 456 H ASP 57 H ASP 57 -3.489 2.156 -10.898 457 HA ASP 57 HA ASP 57 -5.243 3.240 -11.910 458 HB2 ASP 57 2HB ASP 57 -6.918 0.808 -11.621 459 HB3 ASP 57 1HB ASP 57 -6.508 1.729 -13.065 460 H HIS 58 H HIS 58 -8.059 2.442 -11.630 461 HA HIS 58 HA HIS 58 -8.913 4.336 -9.789 462 HB2 HIS 58 2HB HIS 58 -10.644 1.972 -10.400 463 HB3 HIS 58 1HB HIS 58 -11.078 3.675 -10.294 464 HD1 HIS 58 1HD HIS 58 -10.769 5.110 -12.409 465 HD2 HIS 58 2HD HIS 58 -9.657 1.137 -12.894 466 HE1 HIS 58 1HE HIS 58 -10.491 4.788 -14.887 467 HE2 HIS 58 2HE HIS 58 -9.907 2.352 -15.163 468 H ASP 59 H ASP 59 -7.568 1.326 -9.169 469 HA ASP 59 HA ASP 59 -9.006 0.477 -6.909 470 HB2 ASP 59 2HB ASP 59 -6.047 0.043 -7.242 471 HB3 ASP 59 1HB ASP 59 -7.239 -1.028 -6.512 472 H ALA 60 H ALA 60 -6.146 2.552 -7.220 473 HA ALA 60 HA ALA 60 -6.116 3.063 -4.377 474 HB1 ALA 60 1HB ALA 60 -4.253 3.385 -6.582 475 HB2 ALA 60 2HB ALA 60 -3.940 3.156 -4.862 476 HB3 ALA 60 3HB ALA 60 -4.273 4.770 -5.489 477 H GLU 61 H GLU 61 -7.185 4.567 -7.298 478 HA GLU 61 HA GLU 61 -7.438 7.206 -6.252 479 HB2 GLU 61 2HB GLU 61 -8.707 5.907 -8.667 480 HB3 GLU 61 1HB GLU 61 -8.790 7.624 -8.296 481 HG2 GLU 61 2HG GLU 61 -6.106 7.165 -8.206 482 HG3 GLU 61 1HG GLU 61 -6.627 6.054 -9.472 483 H LYS 62 H LYS 62 -9.417 4.361 -6.241 484 HA LYS 62 HA LYS 62 -11.887 5.659 -5.680 485 HB2 LYS 62 2HB LYS 62 -10.894 2.856 -5.692 486 HB3 LYS 62 1HB LYS 62 -12.350 3.196 -4.767 487 HG2 LYS 62 2HG LYS 62 -11.890 3.377 -7.707 488 HG3 LYS 62 1HG LYS 62 -13.199 2.594 -6.820 489 HD2 LYS 62 2HD LYS 62 -14.373 4.413 -7.445 490 HD3 LYS 62 1HD LYS 62 -13.561 5.167 -6.070 491 HE2 LYS 62 2HE LYS 62 -11.793 5.969 -7.580 492 HE3 LYS 62 1HE LYS 62 -12.646 5.248 -8.945 493 HZ1 LYS 62 3HZ LYS 62 -14.277 6.827 -8.880 494 HZ2 LYS 62 1HZ LYS 62 -12.965 7.752 -8.346 495 HZ3 LYS 62 2HZ LYS 62 -14.082 7.147 -7.230 496 H ILE 63 H ILE 63 -9.257 5.825 -3.921 497 HA ILE 63 HA ILE 63 -10.564 5.358 -1.346 498 HB ILE 63 HB ILE 63 -7.751 5.230 -2.240 499 HG12 ILE 63 2HG1 ILE 63 -8.604 3.829 0.192 500 HG13 ILE 63 1HG1 ILE 63 -9.600 3.467 -1.214 501 HG21 ILE 63 1HG2 ILE 63 -7.516 7.072 -0.747 502 HG22 ILE 63 2HG2 ILE 63 -6.951 5.631 0.099 503 HG23 ILE 63 3HG2 ILE 63 -8.542 6.298 0.461 504 HD11 ILE 63 3HD1 ILE 63 -7.663 1.928 -0.819 505 HD12 ILE 63 1HD1 ILE 63 -6.603 3.276 -1.232 506 HD13 ILE 63 2HD1 ILE 63 -7.741 2.651 -2.426 507 H GLN 64 H GLN 64 -11.293 7.068 -0.269 508 HA GLN 64 HA GLN 64 -10.105 9.672 -0.818 509 HB2 GLN 64 2HB GLN 64 -12.942 9.180 0.069 510 HB3 GLN 64 1HB GLN 64 -12.244 10.707 -0.455 511 HG2 GLN 64 2HG GLN 64 -13.347 8.511 -2.020 512 HG3 GLN 64 1HG GLN 64 -13.158 10.217 -2.426 513 HE21 GLN 64 1HE2 GLN 64 -12.147 7.129 -3.104 514 HE22 GLN 64 2HE2 GLN 64 -10.695 7.498 -3.964 515 H SER 65 H SER 65 -11.595 7.625 1.637 516 HA SER 65 HA SER 65 -10.494 9.376 3.724 517 HB2 SER 65 2HB SER 65 -12.509 7.157 4.105 518 HB3 SER 65 1HB SER 65 -12.103 8.451 5.233 519 HG SER 65 HG SER 65 -12.935 9.344 2.779 520 H ILE 66 H ILE 66 -9.402 8.436 5.526 521 HA ILE 66 HA ILE 66 -7.480 6.513 4.827 522 HB ILE 66 HB ILE 66 -8.229 7.165 7.667 523 HG12 ILE 66 2HG1 ILE 66 -7.892 9.155 5.919 524 HG13 ILE 66 1HG1 ILE 66 -7.279 9.247 7.565 525 HG21 ILE 66 1HG2 ILE 66 -5.845 6.088 6.257 526 HG22 ILE 66 2HG2 ILE 66 -6.563 5.610 7.796 527 HG23 ILE 66 3HG2 ILE 66 -5.593 7.079 7.693 528 HD11 ILE 66 3HD1 ILE 66 -5.675 9.985 5.823 529 HD12 ILE 66 1HD1 ILE 66 -5.647 8.330 5.214 530 HD13 ILE 66 2HD1 ILE 66 -5.077 8.678 6.846 531 HA PRO 67 HA PRO 67 -10.409 3.707 7.734 532 HB2 PRO 67 2HB PRO 67 -12.874 4.597 6.312 533 HB3 PRO 67 1HB PRO 67 -12.658 4.122 8.000 534 HG2 PRO 67 2HG PRO 67 -12.924 6.686 7.337 535 HG3 PRO 67 1HG PRO 67 -11.795 6.186 8.611 536 HD2 PRO 67 2HD PRO 67 -11.235 7.036 5.805 537 HD3 PRO 67 1HD PRO 67 -10.291 7.317 7.282 538 H ASP 68 H ASP 68 -12.162 4.301 4.696 539 HA ASP 68 HA ASP 68 -12.297 1.652 3.894 540 HB2 ASP 68 2HB ASP 68 -12.714 4.270 2.633 541 HB3 ASP 68 1HB ASP 68 -12.251 3.003 1.501 542 H ALA 69 H ALA 69 -9.629 3.780 3.872 543 HA ALA 69 HA ALA 69 -8.128 2.719 1.743 544 HB1 ALA 69 1HB ALA 69 -6.814 4.414 2.297 545 HB2 ALA 69 2HB ALA 69 -6.379 3.599 3.798 546 HB3 ALA 69 3HB ALA 69 -7.773 4.678 3.754 547 H VAL 70 H VAL 70 -6.903 2.433 5.000 548 HA VAL 70 HA VAL 70 -5.655 -0.045 4.504 549 HB VAL 70 HB VAL 70 -4.815 1.519 6.193 550 HG11 VAL 70 1HG1 VAL 70 -6.665 2.483 7.207 551 HG12 VAL 70 2HG1 VAL 70 -6.050 1.407 8.463 552 HG13 VAL 70 3HG1 VAL 70 -7.445 0.927 7.494 553 HG21 VAL 70 3HG2 VAL 70 -5.597 -0.998 7.628 554 HG22 VAL 70 1HG2 VAL 70 -4.092 -0.086 7.733 555 HG23 VAL 70 2HG2 VAL 70 -4.458 -1.017 6.282 556 H GLU 71 H GLU 71 -8.855 0.738 5.336 557 HA GLU 71 HA GLU 71 -9.538 -1.564 6.833 558 HB2 GLU 71 2HB GLU 71 -11.156 0.437 5.274 559 HB3 GLU 71 1HB GLU 71 -11.906 -0.935 6.077 560 HG2 GLU 71 2HG GLU 71 -10.189 1.092 7.485 561 HG3 GLU 71 1HG GLU 71 -11.945 1.197 7.368 562 H TYR 72 H TYR 72 -10.080 -0.720 3.414 563 HA TYR 72 HA TYR 72 -11.182 -3.202 2.686 564 HB2 TYR 72 2HB TYR 72 -11.550 -2.116 0.767 565 HB3 TYR 72 1HB TYR 72 -10.644 -0.751 1.414 566 HD1 TYR 72 1HD TYR 72 -8.092 -0.779 1.087 567 HD2 TYR 72 2HD TYR 72 -10.757 -3.269 -1.102 568 HE1 TYR 72 1HE TYR 72 -6.364 -1.104 -0.631 569 HE2 TYR 72 2HE TYR 72 -9.039 -3.598 -2.830 570 HH TYR 72 HH TYR 72 -7.054 -2.777 -3.634 571 H ILE 73 H ILE 73 -7.920 -1.918 2.336 572 HA ILE 73 HA ILE 73 -6.802 -4.207 1.145 573 HB ILE 73 HB ILE 73 -5.184 -2.712 0.841 574 HG12 ILE 73 2HG1 ILE 73 -4.324 -4.190 2.822 575 HG13 ILE 73 1HG1 ILE 73 -3.414 -2.762 2.336 576 HG21 ILE 73 1HG2 ILE 73 -5.014 -0.656 2.391 577 HG22 ILE 73 2HG2 ILE 73 -6.545 -1.227 3.053 578 HG23 ILE 73 3HG2 ILE 73 -6.423 -0.817 1.343 579 HD11 ILE 73 3HD1 ILE 73 -4.521 -3.399 4.871 580 HD12 ILE 73 1HD1 ILE 73 -5.300 -1.937 4.265 581 HD13 ILE 73 2HD1 ILE 73 -3.542 -2.007 4.406 582 H ALA 74 H ALA 74 -7.313 -3.287 4.464 583 HA ALA 74 HA ALA 74 -5.634 -5.200 5.667 584 HB1 ALA 74 1HB ALA 74 -6.452 -3.295 6.915 585 HB2 ALA 74 2HB ALA 74 -6.951 -4.790 7.706 586 HB3 ALA 74 3HB ALA 74 -8.111 -3.870 6.747 587 H GLN 75 H GLN 75 -9.091 -5.223 4.977 588 HA GLN 75 HA GLN 75 -9.407 -7.934 5.820 589 HB2 GLN 75 2HB GLN 75 -11.343 -6.225 4.266 590 HB3 GLN 75 1HB GLN 75 -11.719 -7.694 5.157 591 HG2 GLN 75 2HG GLN 75 -11.666 -6.653 7.177 592 HG3 GLN 75 1HG GLN 75 -10.486 -5.452 6.653 593 HE21 GLN 75 1HE2 GLN 75 -11.205 -3.481 6.284 594 HE22 GLN 75 2HE2 GLN 75 -12.852 -3.035 6.012 595 H ASN 76 H ASN 76 -10.546 -6.632 2.763 596 HA ASN 76 HA ASN 76 -10.673 -8.699 1.164 597 HB2 ASN 76 2HB ASN 76 -9.624 -5.982 0.694 598 HB3 ASN 76 1HB ASN 76 -9.179 -7.169 -0.529 599 HD21 ASN 76 1HD2 ASN 76 -11.282 -4.846 0.044 600 HD22 ASN 76 2HD2 ASN 76 -12.682 -5.451 -0.769 601 HA PRO 77 HA PRO 77 -5.943 -9.249 0.195 602 HB2 PRO 77 2HB PRO 77 -4.771 -7.442 2.245 603 HB3 PRO 77 1HB PRO 77 -4.257 -7.740 0.581 604 HG2 PRO 77 2HG PRO 77 -5.498 -5.477 1.223 605 HG3 PRO 77 1HG PRO 77 -5.849 -6.302 -0.307 606 HD2 PRO 77 2HD PRO 77 -7.453 -6.238 2.220 607 HD3 PRO 77 1HD PRO 77 -7.997 -6.180 0.531 608 H MET 78 H MET 78 -6.878 -8.536 3.553 609 HA MET 78 HA MET 78 -5.172 -10.252 4.893 610 HB2 MET 78 2HB MET 78 -6.360 -9.068 6.421 611 HB3 MET 78 1HB MET 78 -7.818 -9.064 5.438 612 HG2 MET 78 2HG MET 78 -8.533 -11.104 6.256 613 HG3 MET 78 1HG MET 78 -6.916 -11.575 6.776 614 HE1 MET 78 3HE MET 78 -8.218 -12.493 8.771 615 HE2 MET 78 1HE MET 78 -9.777 -11.669 8.755 616 HE3 MET 78 2HE MET 78 -8.723 -11.535 10.162 617 H ALA 79 H ALA 79 -7.719 -11.021 2.756 618 HA ALA 79 HA ALA 79 -7.360 -13.842 3.352 619 HB1 ALA 79 1HB ALA 79 -9.709 -12.419 3.922 620 HB2 ALA 79 2HB ALA 79 -9.459 -14.164 3.989 621 HB3 ALA 79 3HB ALA 79 -10.057 -13.415 2.508 622 H LYS 80 H LYS 80 -6.760 -11.652 1.191 623 HA LYS 80 HA LYS 80 -7.113 -11.448 -1.140 624 HB2 LYS 80 2HB LYS 80 -5.514 -13.952 -0.600 625 HB3 LYS 80 1HB LYS 80 -5.613 -13.181 -2.177 626 HG2 LYS 80 2HG LYS 80 -3.746 -12.140 -1.501 627 HG3 LYS 80 1HG LYS 80 -4.875 -11.079 -0.658 628 HD2 LYS 80 2HD LYS 80 -3.238 -11.694 0.936 629 HD3 LYS 80 1HD LYS 80 -4.673 -12.648 1.316 630 HE2 LYS 80 2HE LYS 80 -3.584 -14.444 -0.192 631 HE3 LYS 80 1HE LYS 80 -2.102 -13.519 0.048 632 HZ1 LYS 80 3HZ LYS 80 -3.069 -15.448 1.707 633 HZ2 LYS 80 1HZ LYS 80 -3.501 -14.015 2.497 634 HZ3 LYS 80 2HZ LYS 80 -1.883 -14.308 2.102 635 H282 PNS 101 8H2 PNS 101 2.986 15.422 -9.856 636 H281 PNS 101 9H2 PNS 101 3.322 13.780 -9.300 637 H303 PNS 101 0H3 PNS 101 2.954 16.442 -6.126 638 H302 PNS 101 1H3 PNS 101 2.068 14.930 -6.315 639 H301 PNS 101 2H3 PNS 101 1.722 16.293 -7.378 640 H313 PNS 101 3H3 PNS 101 4.885 14.608 -6.303 641 H312 PNS 101 4H3 PNS 101 5.081 13.814 -7.865 642 H311 PNS 101 5H3 PNS 101 3.715 13.399 -6.831 643 H32 PNS 101 6H3 PNS 101 3.713 17.055 -8.699 644 H33 PNS 101 7H3 PNS 101 4.709 16.843 -6.301 645 H36 PNS 101 8H3 PNS 101 6.430 14.908 -8.338 646 H372 PNS 101 9H3 PNS 101 5.477 14.221 -10.989 647 H371 PNS 101 0H4 PNS 101 6.439 13.212 -9.909 648 H382 PNS 101 1H4 PNS 101 7.917 15.538 -10.779 649 H381 PNS 101 2H4 PNS 101 8.339 13.829 -10.884 650 H41 PNS 101 3H4 PNS 101 5.352 14.647 -12.743 651 H422 PNS 101 4H4 PNS 101 6.563 16.703 -14.201 652 H421 PNS 101 5H4 PNS 101 4.985 16.782 -13.421 653 H431 PNS 101 7H4 PNS 101 5.780 18.117 -11.823 654 H432 PNS 101 6H4 PNS 101 7.086 16.980 -11.460 655 H44 PNS 101 8H4 PNS 101 7.944 18.372 -13.892 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -4.466 -8.250 8.852 2 H2 MET 1 2HT MET 1 -4.854 -8.353 10.520 3 H3 MET 1 3HT MET 1 -4.928 -9.754 9.531 4 HA MET 1 HA MET 1 -2.991 -9.903 10.783 5 HB2 MET 1 2HB MET 1 -2.385 -8.918 7.986 6 HB3 MET 1 1HB MET 1 -1.315 -9.902 8.974 7 HG2 MET 1 2HG MET 1 -3.962 -10.681 7.790 8 HG3 MET 1 1HG MET 1 -2.370 -11.337 7.415 9 HE1 MET 1 2HE MET 1 -1.418 -12.857 10.865 10 HE2 MET 1 3HE MET 1 -2.087 -11.295 11.336 11 HE3 MET 1 1HE MET 1 -1.033 -11.413 9.928 12 H ASN 2 H ASN 2 -1.653 -8.887 12.129 13 HA ASN 2 HA ASN 2 -1.603 -6.098 12.389 14 HB2 ASN 2 2HB ASN 2 0.383 -8.106 13.467 15 HB3 ASN 2 1HB ASN 2 0.193 -6.447 14.025 16 HD21 ASN 2 1HD2 ASN 2 -0.570 -6.637 16.018 17 HD22 ASN 2 2HD2 ASN 2 -1.975 -7.533 16.473 18 H ASP 3 H ASP 3 0.439 -8.288 10.623 19 HA ASP 3 HA ASP 3 2.668 -6.674 10.215 20 HB2 ASP 3 2HB ASP 3 3.025 -8.025 8.144 21 HB3 ASP 3 1HB ASP 3 2.719 -8.997 9.581 22 H VAL 4 H VAL 4 -0.472 -6.589 8.725 23 HA VAL 4 HA VAL 4 0.237 -4.953 6.512 24 HB VAL 4 HB VAL 4 -2.097 -6.256 7.425 25 HG11 VAL 4 1HG1 VAL 4 -2.475 -3.304 6.968 26 HG12 VAL 4 2HG1 VAL 4 -2.922 -4.240 8.395 27 HG13 VAL 4 3HG1 VAL 4 -3.781 -4.485 6.874 28 HG21 VAL 4 3HG2 VAL 4 -1.218 -6.430 5.188 29 HG22 VAL 4 1HG2 VAL 4 -1.492 -4.709 4.910 30 HG23 VAL 4 2HG2 VAL 4 -2.864 -5.799 5.117 31 H LEU 5 H LEU 5 -1.521 -4.164 9.526 32 HA LEU 5 HA LEU 5 -1.513 -1.388 9.021 33 HB2 LEU 5 2HB LEU 5 -2.733 -1.195 10.906 34 HB3 LEU 5 1HB LEU 5 -2.910 -2.922 10.689 35 HG LEU 5 HG LEU 5 -2.436 -2.396 13.010 36 HD11 LEU 5 1HD1 LEU 5 -1.070 -4.219 11.410 37 HD12 LEU 5 2HD1 LEU 5 -1.301 -4.292 13.157 38 HD13 LEU 5 3HD1 LEU 5 0.147 -3.538 12.489 39 HD21 LEU 5 3HD2 LEU 5 -0.977 -0.846 13.650 40 HD22 LEU 5 1HD2 LEU 5 -0.747 -0.448 11.948 41 HD23 LEU 5 2HD2 LEU 5 0.324 -1.609 12.735 42 H THR 6 H THR 6 0.625 -3.487 10.813 43 HA THR 6 HA THR 6 2.112 -1.525 12.134 44 HB THR 6 HB THR 6 2.146 -4.313 11.952 45 HG1 THR 6 1HG THR 6 3.955 -2.685 13.395 46 HG21 THR 6 3HG2 THR 6 4.715 -4.573 11.964 47 HG22 THR 6 1HG2 THR 6 4.693 -3.119 10.967 48 HG23 THR 6 2HG2 THR 6 3.850 -4.571 10.426 49 H ARG 7 H ARG 7 2.995 -3.307 9.201 50 HA ARG 7 HA ARG 7 5.211 -1.596 8.671 51 HB2 ARG 7 2HB ARG 7 5.347 -3.923 8.040 52 HB3 ARG 7 1HB ARG 7 3.920 -3.768 7.024 53 HG2 ARG 7 2HG ARG 7 6.318 -2.077 6.480 54 HG3 ARG 7 1HG ARG 7 6.284 -3.762 5.955 55 HD2 ARG 7 2HD ARG 7 4.146 -3.297 4.784 56 HD3 ARG 7 1HD ARG 7 4.313 -1.599 5.224 57 HE ARG 7 HE ARG 7 5.722 -1.373 3.456 58 HH11 ARG 7 1HH1 ARG 7 5.787 -4.699 4.482 59 HH12 ARG 7 2HH1 ARG 7 6.862 -5.204 3.220 60 HH21 ARG 7 1HH2 ARG 7 7.136 -2.025 1.789 61 HH22 ARG 7 2HH2 ARG 7 7.629 -3.683 1.689 62 H VAL 8 H VAL 8 1.994 -2.048 7.317 63 HA VAL 8 HA VAL 8 2.276 -0.252 5.177 64 HB VAL 8 HB VAL 8 -0.282 -1.008 6.584 65 HG11 VAL 8 1HG1 VAL 8 -1.032 -0.732 4.078 66 HG12 VAL 8 2HG1 VAL 8 0.355 0.358 4.023 67 HG13 VAL 8 3HG1 VAL 8 -0.955 0.652 5.169 68 HG21 VAL 8 3HG2 VAL 8 -0.444 -2.895 5.181 69 HG22 VAL 8 1HG2 VAL 8 1.204 -2.921 5.809 70 HG23 VAL 8 2HG2 VAL 8 0.895 -2.354 4.169 71 H LEU 9 H LEU 9 0.791 0.201 8.397 72 HA LEU 9 HA LEU 9 0.106 2.904 8.011 73 HB2 LEU 9 2HB LEU 9 -0.809 2.657 10.022 74 HB3 LEU 9 1HB LEU 9 -0.163 1.035 10.060 75 HG LEU 9 HG LEU 9 1.975 2.582 10.892 76 HD11 LEU 9 1HD1 LEU 9 0.070 4.387 11.039 77 HD12 LEU 9 2HD1 LEU 9 1.293 4.248 12.301 78 HD13 LEU 9 3HD1 LEU 9 -0.306 3.544 12.542 79 HD21 LEU 9 3HD2 LEU 9 1.622 1.539 13.019 80 HD22 LEU 9 1HD2 LEU 9 1.173 0.395 11.755 81 HD23 LEU 9 2HD2 LEU 9 -0.079 1.255 12.651 82 H GLU 10 H GLU 10 2.984 1.400 9.418 83 HA GLU 10 HA GLU 10 4.293 3.785 10.139 84 HB2 GLU 10 2HB GLU 10 6.205 2.455 10.529 85 HB3 GLU 10 1HB GLU 10 4.833 1.417 10.897 86 HG2 GLU 10 2HG GLU 10 5.354 -0.032 9.288 87 HG3 GLU 10 1HG GLU 10 5.683 1.244 8.116 88 H VAL 11 H VAL 11 4.158 1.944 7.193 89 HA VAL 11 HA VAL 11 6.313 3.026 5.834 90 HB VAL 11 HB VAL 11 3.841 1.679 5.040 91 HG11 VAL 11 1HG1 VAL 11 5.036 2.093 2.611 92 HG12 VAL 11 2HG1 VAL 11 5.136 3.678 3.372 93 HG13 VAL 11 3HG1 VAL 11 3.570 2.888 3.180 94 HG21 VAL 11 3HG2 VAL 11 6.309 0.955 3.709 95 HG22 VAL 11 1HG2 VAL 11 5.221 -0.032 4.685 96 HG23 VAL 11 2HG2 VAL 11 6.461 0.950 5.465 97 H VAL 12 H VAL 12 2.948 4.079 5.834 98 HA VAL 12 HA VAL 12 3.383 6.302 4.115 99 HB VAL 12 HB VAL 12 1.169 5.828 4.055 100 HG11 VAL 12 1HG1 VAL 12 0.743 4.080 5.417 101 HG12 VAL 12 2HG1 VAL 12 0.005 5.322 6.429 102 HG13 VAL 12 3HG1 VAL 12 1.646 4.769 6.764 103 HG21 VAL 12 3HG2 VAL 12 0.597 7.408 6.467 104 HG22 VAL 12 1HG2 VAL 12 0.091 7.659 4.796 105 HG23 VAL 12 2HG2 VAL 12 1.698 8.168 5.317 106 H LYS 13 H LYS 13 2.847 6.080 7.633 107 HA LYS 13 HA LYS 13 3.076 8.770 8.252 108 HB2 LYS 13 2HB LYS 13 4.088 6.494 9.961 109 HB3 LYS 13 1HB LYS 13 3.576 8.082 10.513 110 HG2 LYS 13 2HG LYS 13 2.008 5.706 9.971 111 HG3 LYS 13 1HG LYS 13 1.597 7.153 10.904 112 HD2 LYS 13 2HD LYS 13 1.334 8.267 8.573 113 HD3 LYS 13 1HD LYS 13 1.216 6.607 7.983 114 HE2 LYS 13 2HE LYS 13 -0.631 6.207 9.566 115 HE3 LYS 13 1HE LYS 13 -0.533 7.891 10.079 116 HZ1 LYS 13 3HZ LYS 13 -1.615 6.756 7.624 117 HZ2 LYS 13 1HZ LYS 13 -0.792 8.227 7.473 118 HZ3 LYS 13 2HZ LYS 13 -2.122 8.105 8.509 119 H ASN 14 H ASN 14 5.648 6.321 8.136 120 HA ASN 14 HA ASN 14 7.707 8.263 8.620 121 HB2 ASN 14 2HB ASN 14 8.961 6.478 9.100 122 HB3 ASN 14 1HB ASN 14 7.503 5.523 8.904 123 HD21 ASN 14 1HD2 ASN 14 7.134 4.474 6.953 124 HD22 ASN 14 2HD2 ASN 14 8.422 4.125 5.860 125 H PHE 15 H PHE 15 5.929 7.444 5.961 126 HA PHE 15 HA PHE 15 8.050 7.305 4.122 127 HB2 PHE 15 2HB PHE 15 5.229 6.961 4.026 128 HB3 PHE 15 1HB PHE 15 5.657 8.136 2.787 129 HD1 PHE 15 2HD PHE 15 7.423 5.108 4.054 130 HD2 PHE 15 1HD PHE 15 5.610 7.079 0.747 131 HE1 PHE 15 2HE PHE 15 8.143 3.278 2.575 132 HE2 PHE 15 1HE PHE 15 6.326 5.252 -0.739 133 HZ PHE 15 HZ PHE 15 7.594 3.349 0.174 134 H GLU 16 H GLU 16 6.404 9.869 5.652 135 HA GLU 16 HA GLU 16 7.409 12.045 5.678 136 HB2 GLU 16 2HB GLU 16 8.555 12.933 3.857 137 HB3 GLU 16 1HB GLU 16 8.948 11.224 3.769 138 HG2 GLU 16 2HG GLU 16 8.184 11.154 1.705 139 HG3 GLU 16 1HG GLU 16 6.590 11.643 2.273 140 H LYS 17 H LYS 17 4.824 10.563 4.366 141 HA LYS 17 HA LYS 17 3.507 12.557 2.899 142 HB2 LYS 17 2HB LYS 17 2.513 10.225 4.522 143 HB3 LYS 17 1HB LYS 17 1.406 11.308 3.690 144 HG2 LYS 17 2HG LYS 17 1.642 10.043 1.891 145 HG3 LYS 17 1HG LYS 17 3.308 10.612 1.776 146 HD2 LYS 17 2HD LYS 17 3.958 8.504 2.079 147 HD3 LYS 17 1HD LYS 17 3.356 8.625 3.732 148 HE2 LYS 17 2HE LYS 17 1.563 7.345 3.300 149 HE3 LYS 17 1HE LYS 17 1.281 8.103 1.733 150 HZ1 LYS 17 3HZ LYS 17 2.848 5.737 2.397 151 HZ2 LYS 17 1HZ LYS 17 3.456 6.729 1.169 152 HZ3 LYS 17 2HZ LYS 17 1.908 6.064 1.030 153 H VAL 18 H VAL 18 3.332 11.748 6.359 154 HA VAL 18 HA VAL 18 3.166 14.360 7.278 155 HB VAL 18 HB VAL 18 0.517 13.774 7.937 156 HG11 VAL 18 1HG1 VAL 18 1.876 15.938 7.253 157 HG12 VAL 18 2HG1 VAL 18 0.117 15.875 7.145 158 HG13 VAL 18 3HG1 VAL 18 1.098 15.638 5.699 159 HG21 VAL 18 3HG2 VAL 18 -0.635 13.097 6.088 160 HG22 VAL 18 1HG2 VAL 18 0.870 12.215 5.824 161 HG23 VAL 18 2HG2 VAL 18 0.573 13.728 4.968 162 H ASP 19 H ASP 19 2.529 14.500 9.572 163 HA ASP 19 HA ASP 19 3.544 12.320 11.044 164 HB2 ASP 19 2HB ASP 19 3.335 14.910 11.600 165 HB3 ASP 19 1HB ASP 19 1.855 14.376 12.392 166 H ALA 20 H ALA 20 2.577 10.564 11.830 167 HA ALA 20 HA ALA 20 -0.036 9.843 11.175 168 HB1 ALA 20 1HB ALA 20 1.056 8.558 13.579 169 HB2 ALA 20 2HB ALA 20 2.114 8.524 12.168 170 HB3 ALA 20 3HB ALA 20 0.488 7.847 12.067 171 H SER 21 H SER 21 1.121 11.834 13.700 172 HA SER 21 HA SER 21 -0.920 11.425 15.605 173 HB2 SER 21 2HB SER 21 0.226 12.938 16.823 174 HB3 SER 21 1HB SER 21 1.416 12.883 15.523 175 HG SER 21 HG SER 21 0.882 14.840 15.000 176 H LYS 22 H LYS 22 -0.828 13.096 12.616 177 HA LYS 22 HA LYS 22 -3.131 14.742 13.224 178 HB2 LYS 22 2HB LYS 22 -2.780 15.797 11.142 179 HB3 LYS 22 1HB LYS 22 -1.171 15.501 11.789 180 HG2 LYS 22 2HG LYS 22 -1.338 13.301 10.383 181 HG3 LYS 22 1HG LYS 22 -2.557 14.215 9.491 182 HD2 LYS 22 2HD LYS 22 0.366 14.569 9.616 183 HD3 LYS 22 1HD LYS 22 -0.764 14.906 8.303 184 HE2 LYS 22 2HE LYS 22 -1.523 16.916 9.535 185 HE3 LYS 22 1HE LYS 22 -0.290 16.597 10.754 186 HZ1 LYS 22 3HZ LYS 22 0.049 17.468 7.961 187 HZ2 LYS 22 1HZ LYS 22 1.302 16.644 8.747 188 HZ3 LYS 22 2HZ LYS 22 0.732 18.110 9.370 189 H VAL 23 H VAL 23 -2.476 11.648 11.998 190 HA VAL 23 HA VAL 23 -4.861 11.461 10.386 191 HB VAL 23 HB VAL 23 -4.180 9.298 9.786 192 HG11 VAL 23 1HG1 VAL 23 -2.302 9.840 8.687 193 HG12 VAL 23 2HG1 VAL 23 -1.420 10.198 10.173 194 HG13 VAL 23 3HG1 VAL 23 -2.488 11.411 9.465 195 HG21 VAL 23 3HG2 VAL 23 -3.005 9.276 12.466 196 HG22 VAL 23 1HG2 VAL 23 -2.012 8.492 11.238 197 HG23 VAL 23 2HG2 VAL 23 -3.670 7.955 11.506 198 H THR 24 H THR 24 -6.801 10.896 11.117 199 HA THR 24 HA THR 24 -6.990 9.630 13.734 200 HB THR 24 HB THR 24 -8.188 11.980 12.778 201 HG1 THR 24 1HG THR 24 -9.102 11.980 14.846 202 HG21 THR 24 3HG2 THR 24 -9.888 10.344 11.771 203 HG22 THR 24 1HG2 THR 24 -10.483 11.681 12.755 204 HG23 THR 24 2HG2 THR 24 -10.380 10.060 13.440 205 HA PRO 25 HA PRO 25 -9.122 6.080 12.270 206 HB2 PRO 25 2HB PRO 25 -11.581 6.181 13.539 207 HB3 PRO 25 1HB PRO 25 -10.093 5.566 14.264 208 HG2 PRO 25 2HG PRO 25 -11.375 8.250 14.551 209 HG3 PRO 25 1HG PRO 25 -10.567 7.255 15.776 210 HD2 PRO 25 2HD PRO 25 -9.349 9.368 14.663 211 HD3 PRO 25 1HD PRO 25 -8.448 7.893 15.075 212 H GLU 26 H GLU 26 -11.095 9.013 12.240 213 HA GLU 26 HA GLU 26 -12.522 8.014 9.897 214 HB2 GLU 26 2HB GLU 26 -13.868 8.813 11.838 215 HB3 GLU 26 1HB GLU 26 -13.177 10.413 11.608 216 HG2 GLU 26 2HG GLU 26 -14.540 9.101 9.314 217 HG3 GLU 26 1HG GLU 26 -15.517 9.786 10.613 218 H SER 27 H SER 27 -9.764 9.441 10.316 219 HA SER 27 HA SER 27 -9.915 11.894 8.936 220 HB2 SER 27 2HB SER 27 -7.885 11.873 9.926 221 HB3 SER 27 1HB SER 27 -7.799 10.112 9.915 222 HG SER 27 HG SER 27 -7.475 11.606 7.545 223 H HIS 28 H HIS 28 -9.955 12.378 6.829 224 HA HIS 28 HA HIS 28 -10.312 10.270 4.927 225 HB2 HIS 28 2HB HIS 28 -10.137 13.227 4.360 226 HB3 HIS 28 1HB HIS 28 -10.897 11.989 3.365 227 HD1 HIS 28 1HD HIS 28 -13.353 11.934 3.567 228 HD2 HIS 28 2HD HIS 28 -11.558 13.370 7.030 229 HE1 HIS 28 1HE HIS 28 -15.248 12.537 5.107 230 HE2 HIS 28 2HE HIS 28 -14.138 13.485 7.162 231 H PHE 29 H PHE 29 -9.035 9.886 3.075 232 HA PHE 29 HA PHE 29 -6.249 10.078 3.501 233 HB2 PHE 29 2HB PHE 29 -7.366 8.244 2.233 234 HB3 PHE 29 1HB PHE 29 -7.675 9.388 0.932 235 HD1 PHE 29 2HD PHE 29 -5.418 10.758 0.274 236 HD2 PHE 29 1HD PHE 29 -5.603 6.831 1.902 237 HE1 PHE 29 2HE PHE 29 -3.210 10.259 -0.690 238 HE2 PHE 29 1HE PHE 29 -3.394 6.325 0.941 239 HZ PHE 29 HZ PHE 29 -2.196 8.040 -0.358 240 H VAL 30 H VAL 30 -7.683 11.050 0.459 241 HA VAL 30 HA VAL 30 -5.771 13.080 0.038 242 HB VAL 30 HB VAL 30 -7.709 13.713 -1.751 243 HG11 VAL 30 1HG1 VAL 30 -6.468 12.375 -3.343 244 HG12 VAL 30 2HG1 VAL 30 -5.747 11.439 -2.034 245 HG13 VAL 30 3HG1 VAL 30 -5.356 13.149 -2.215 246 HG21 VAL 30 3HG2 VAL 30 -9.035 11.788 -0.632 247 HG22 VAL 30 1HG2 VAL 30 -7.956 10.737 -1.549 248 HG23 VAL 30 2HG2 VAL 30 -8.991 11.890 -2.392 249 H LYS 31 H LYS 31 -8.988 13.070 1.315 250 HA LYS 31 HA LYS 31 -9.428 15.866 1.152 251 HB2 LYS 31 2HB LYS 31 -10.840 14.378 3.269 252 HB3 LYS 31 1HB LYS 31 -11.477 15.429 2.010 253 HG2 LYS 31 2HG LYS 31 -10.659 12.547 1.729 254 HG3 LYS 31 1HG LYS 31 -12.292 13.212 1.650 255 HD2 LYS 31 2HD LYS 31 -10.723 14.609 -0.242 256 HD3 LYS 31 1HD LYS 31 -10.383 12.890 -0.448 257 HE2 LYS 31 2HE LYS 31 -12.261 13.652 -1.845 258 HE3 LYS 31 1HE LYS 31 -12.742 12.416 -0.684 259 HZ1 LYS 31 3HZ LYS 31 -14.365 13.835 -0.171 260 HZ2 LYS 31 1HZ LYS 31 -13.603 15.152 -0.910 261 HZ3 LYS 31 2HZ LYS 31 -13.186 14.710 0.668 262 H ASP 32 H ASP 32 -7.636 13.898 3.323 263 HA ASP 32 HA ASP 32 -7.699 15.888 5.419 264 HB2 ASP 32 2HB ASP 32 -7.864 13.481 5.992 265 HB3 ASP 32 1HB ASP 32 -6.234 13.253 5.366 266 H LEU 33 H LEU 33 -6.019 15.572 2.633 267 HA LEU 33 HA LEU 33 -4.254 17.550 2.892 268 HB2 LEU 33 2HB LEU 33 -2.765 17.063 4.459 269 HB3 LEU 33 1HB LEU 33 -3.463 15.470 4.674 270 HG LEU 33 HG LEU 33 -1.643 15.849 2.357 271 HD11 LEU 33 1HD1 LEU 33 0.341 15.709 3.616 272 HD12 LEU 33 2HD1 LEU 33 -0.538 15.424 5.118 273 HD13 LEU 33 3HD1 LEU 33 -0.597 17.011 4.349 274 HD21 LEU 33 3HD2 LEU 33 -2.613 13.702 2.610 275 HD22 LEU 33 1HD2 LEU 33 -2.234 13.658 4.333 276 HD23 LEU 33 2HD2 LEU 33 -0.937 13.561 3.142 277 H GLY 34 H GLY 34 -4.957 14.456 1.618 278 HA2 GLY 34 2HA GLY 34 -4.479 13.478 -0.410 279 HA3 GLY 34 1HA GLY 34 -4.174 15.110 -0.984 280 H LEU 35 H LEU 35 -2.808 12.114 -0.110 281 HA LEU 35 HA LEU 35 -0.146 12.913 0.382 282 HB2 LEU 35 2HB LEU 35 -1.359 10.322 -0.549 283 HB3 LEU 35 1HB LEU 35 0.366 10.508 -0.294 284 HG LEU 35 HG LEU 35 0.000 10.993 2.064 285 HD11 LEU 35 1HD1 LEU 35 -1.999 12.096 2.296 286 HD12 LEU 35 2HD1 LEU 35 -2.436 10.484 2.861 287 HD13 LEU 35 3HD1 LEU 35 -2.860 10.989 1.225 288 HD21 LEU 35 3HD2 LEU 35 -0.123 8.821 2.607 289 HD22 LEU 35 1HD2 LEU 35 -0.224 8.559 0.866 290 HD23 LEU 35 2HD2 LEU 35 -1.696 8.615 1.836 291 H ASN 36 H ASN 36 1.707 12.630 -0.998 292 HA ASN 36 HA ASN 36 1.406 13.832 -3.524 293 HB2 ASN 36 2HB ASN 36 3.501 13.324 -1.796 294 HB3 ASN 36 1HB ASN 36 3.880 12.307 -3.177 295 HD21 ASN 36 1HD2 ASN 36 2.428 14.225 -4.936 296 HD22 ASN 36 2HD2 ASN 36 3.528 15.533 -5.173 297 H SER 37 H SER 37 1.315 12.997 -5.578 298 HA SER 37 HA SER 37 0.254 10.481 -6.021 299 HB2 SER 37 2HB SER 37 1.935 11.906 -8.076 300 HB3 SER 37 1HB SER 37 0.517 10.892 -8.338 301 H LEU 38 H LEU 38 3.583 11.554 -6.074 302 HA LEU 38 HA LEU 38 4.664 9.058 -6.934 303 HB2 LEU 38 2HB LEU 38 6.792 10.017 -6.593 304 HB3 LEU 38 1HB LEU 38 5.766 11.319 -7.163 305 HG LEU 38 HG LEU 38 7.279 12.032 -5.359 306 HD11 LEU 38 1HD1 LEU 38 5.254 13.264 -5.630 307 HD12 LEU 38 2HD1 LEU 38 5.544 13.057 -3.903 308 HD13 LEU 38 3HD1 LEU 38 4.342 12.060 -4.721 309 HD21 LEU 38 3HD2 LEU 38 6.754 9.611 -4.214 310 HD22 LEU 38 1HD2 LEU 38 5.786 10.708 -3.227 311 HD23 LEU 38 2HD2 LEU 38 7.519 10.978 -3.405 312 H ASP 39 H ASP 39 3.788 10.466 -3.905 313 HA ASP 39 HA ASP 39 5.250 8.617 -2.284 314 HB2 ASP 39 2HB ASP 39 4.714 10.816 -1.398 315 HB3 ASP 39 1HB ASP 39 2.992 10.507 -1.601 316 H VAL 40 H VAL 40 2.008 8.857 -3.554 317 HA VAL 40 HA VAL 40 0.934 6.699 -2.047 318 HB VAL 40 HB VAL 40 -0.278 8.630 -3.393 319 HG11 VAL 40 1HG1 VAL 40 0.595 6.977 -5.482 320 HG12 VAL 40 2HG1 VAL 40 -0.525 8.335 -5.581 321 HG13 VAL 40 3HG1 VAL 40 -1.140 6.701 -5.336 322 HG21 VAL 40 3HG2 VAL 40 -1.917 7.625 -2.278 323 HG22 VAL 40 1HG2 VAL 40 -1.044 6.092 -2.283 324 HG23 VAL 40 2HG2 VAL 40 -2.098 6.514 -3.634 325 H VAL 41 H VAL 41 2.606 6.977 -5.104 326 HA VAL 41 HA VAL 41 1.932 4.415 -6.104 327 HB VAL 41 HB VAL 41 2.739 5.787 -7.779 328 HG11 VAL 41 1HG1 VAL 41 4.767 7.151 -7.622 329 HG12 VAL 41 2HG1 VAL 41 5.036 6.556 -5.983 330 HG13 VAL 41 3HG1 VAL 41 3.621 7.545 -6.342 331 HG21 VAL 41 3HG2 VAL 41 5.421 4.802 -7.625 332 HG22 VAL 41 1HG2 VAL 41 4.107 4.290 -8.681 333 HG23 VAL 41 2HG2 VAL 41 4.300 3.550 -7.092 334 H GLU 42 H GLU 42 4.742 5.660 -4.325 335 HA GLU 42 HA GLU 42 6.165 3.241 -4.234 336 HB2 GLU 42 2HB GLU 42 6.206 5.712 -2.524 337 HB3 GLU 42 1HB GLU 42 7.235 4.332 -2.160 338 HG2 GLU 42 2HG GLU 42 7.811 4.650 -4.758 339 HG3 GLU 42 1HG GLU 42 7.414 6.314 -4.331 340 H VAL 43 H VAL 43 3.847 4.694 -2.037 341 HA VAL 43 HA VAL 43 3.969 2.746 -0.013 342 HB VAL 43 HB VAL 43 2.876 4.657 0.700 343 HG11 VAL 43 1HG1 VAL 43 1.998 6.121 -0.715 344 HG12 VAL 43 2HG1 VAL 43 0.702 4.996 -1.121 345 HG13 VAL 43 3HG1 VAL 43 2.221 4.949 -2.014 346 HG21 VAL 43 3HG2 VAL 43 1.575 2.449 1.049 347 HG22 VAL 43 1HG2 VAL 43 0.434 3.165 -0.084 348 HG23 VAL 43 2HG2 VAL 43 0.794 3.985 1.432 349 H VAL 44 H VAL 44 1.636 3.194 -2.624 350 HA VAL 44 HA VAL 44 0.135 0.877 -2.197 351 HB VAL 44 HB VAL 44 -0.597 1.075 -4.525 352 HG11 VAL 44 1HG1 VAL 44 -0.845 3.034 -2.530 353 HG12 VAL 44 2HG1 VAL 44 -1.937 2.721 -3.879 354 HG13 VAL 44 3HG1 VAL 44 -0.635 3.899 -4.052 355 HG21 VAL 44 3HG2 VAL 44 0.371 2.979 -5.888 356 HG22 VAL 44 1HG2 VAL 44 1.393 1.553 -5.702 357 HG23 VAL 44 2HG2 VAL 44 1.707 2.995 -4.736 358 H PHE 45 H PHE 45 3.206 1.427 -3.682 359 HA PHE 45 HA PHE 45 3.391 -1.107 -4.988 360 HB2 PHE 45 2HB PHE 45 4.867 1.318 -4.943 361 HB3 PHE 45 1HB PHE 45 5.966 0.027 -4.466 362 HD1 PHE 45 1HD PHE 45 6.257 -1.931 -5.962 363 HD2 PHE 45 2HD PHE 45 4.179 1.576 -7.177 364 HE1 PHE 45 1HE PHE 45 6.533 -2.592 -8.320 365 HE2 PHE 45 2HE PHE 45 4.449 0.925 -9.538 366 HZ PHE 45 HZ PHE 45 5.627 -1.162 -10.111 367 H ALA 46 H ALA 46 4.116 0.210 -1.886 368 HA ALA 46 HA ALA 46 5.834 -1.848 -0.970 369 HB1 ALA 46 1HB ALA 46 4.729 -0.789 1.300 370 HB2 ALA 46 2HB ALA 46 4.586 0.535 0.143 371 HB3 ALA 46 3HB ALA 46 6.164 -0.177 0.477 372 H ILE 47 H ILE 47 2.475 -1.074 -0.210 373 HA ILE 47 HA ILE 47 1.890 -3.393 1.239 374 HB ILE 47 HB ILE 47 -0.527 -2.808 0.167 375 HG12 ILE 47 2HG1 ILE 47 0.973 -0.947 -1.089 376 HG13 ILE 47 1HG1 ILE 47 -0.719 -0.701 -0.670 377 HG21 ILE 47 1HG2 ILE 47 0.598 -1.026 2.291 378 HG22 ILE 47 2HG2 ILE 47 0.403 -2.754 2.574 379 HG23 ILE 47 3HG2 ILE 47 -1.000 -1.762 2.183 380 HD11 ILE 47 3HD1 ILE 47 -0.119 0.535 1.283 381 HD12 ILE 47 1HD1 ILE 47 0.768 1.195 -0.092 382 HD13 ILE 47 2HD1 ILE 47 1.587 0.144 1.064 383 H GLU 48 H GLU 48 1.739 -2.692 -2.209 384 HA GLU 48 HA GLU 48 0.352 -4.929 -3.093 385 HB2 GLU 48 2HB GLU 48 1.321 -2.846 -4.374 386 HB3 GLU 48 1HB GLU 48 2.694 -3.909 -4.649 387 HG2 GLU 48 2HG GLU 48 -0.039 -4.904 -5.271 388 HG3 GLU 48 1HG GLU 48 0.724 -3.753 -6.368 389 H GLN 49 H GLN 49 3.688 -4.535 -2.168 390 HA GLN 49 HA GLN 49 4.616 -7.047 -3.084 391 HB2 GLN 49 2HB GLN 49 5.646 -4.841 -1.446 392 HB3 GLN 49 1HB GLN 49 6.265 -6.420 -0.979 393 HG2 GLN 49 2HG GLN 49 7.812 -5.627 -2.522 394 HG3 GLN 49 1HG GLN 49 6.810 -6.744 -3.448 395 HE21 GLN 49 1HE2 GLN 49 4.746 -5.509 -4.315 396 HE22 GLN 49 2HE2 GLN 49 5.115 -4.062 -5.182 397 H GLU 50 H GLU 50 3.366 -5.911 0.033 398 HA GLU 50 HA GLU 50 3.406 -8.655 0.999 399 HB2 GLU 50 2HB GLU 50 3.702 -7.884 3.113 400 HB3 GLU 50 1HB GLU 50 4.354 -6.497 2.253 401 HG2 GLU 50 2HG GLU 50 1.719 -5.860 2.359 402 HG3 GLU 50 1HG GLU 50 1.927 -6.746 3.870 403 H PHE 51 H PHE 51 1.422 -7.812 -0.880 404 HA PHE 51 HA PHE 51 -0.941 -8.367 0.705 405 HB2 PHE 51 2HB PHE 51 -0.458 -5.917 -0.841 406 HB3 PHE 51 1HB PHE 51 -2.014 -6.679 -1.141 407 HD1 PHE 51 2HD PHE 51 -3.380 -7.332 0.976 408 HD2 PHE 51 1HD PHE 51 -0.236 -4.463 0.935 409 HE1 PHE 51 2HE PHE 51 -4.284 -6.318 3.027 410 HE2 PHE 51 1HE PHE 51 -1.134 -3.445 2.987 411 HZ PHE 51 HZ PHE 51 -3.161 -4.372 4.035 412 H ILE 52 H ILE 52 0.824 -8.735 -2.226 413 HA ILE 52 HA ILE 52 0.564 -10.140 -3.995 414 HB ILE 52 HB ILE 52 -1.860 -11.370 -2.742 415 HG12 ILE 52 2HG1 ILE 52 0.436 -12.760 -1.838 416 HG13 ILE 52 1HG1 ILE 52 0.669 -11.060 -1.448 417 HG21 ILE 52 1HG2 ILE 52 -1.334 -13.221 -3.970 418 HG22 ILE 52 2HG2 ILE 52 0.397 -12.886 -3.938 419 HG23 ILE 52 3HG2 ILE 52 -0.659 -11.970 -5.013 420 HD11 ILE 52 3HD1 ILE 52 -1.728 -12.706 -0.687 421 HD12 ILE 52 1HD1 ILE 52 -1.441 -11.020 -0.259 422 HD13 ILE 52 2HD1 ILE 52 -0.386 -12.282 0.378 423 H LEU 53 H LEU 53 -0.809 -7.579 -3.847 424 HA LEU 53 HA LEU 53 -2.378 -7.780 -6.185 425 HB2 LEU 53 2HB LEU 53 -3.980 -8.653 -4.455 426 HB3 LEU 53 1HB LEU 53 -3.926 -7.073 -3.696 427 HG LEU 53 HG LEU 53 -5.191 -6.081 -5.330 428 HD11 LEU 53 1HD1 LEU 53 -5.420 -7.410 -7.621 429 HD12 LEU 53 2HD1 LEU 53 -3.834 -8.003 -7.128 430 HD13 LEU 53 3HD1 LEU 53 -4.109 -6.271 -7.315 431 HD21 LEU 53 3HD2 LEU 53 -6.038 -8.972 -5.500 432 HD22 LEU 53 1HD2 LEU 53 -7.019 -7.582 -5.964 433 HD23 LEU 53 2HD2 LEU 53 -6.549 -7.806 -4.279 434 H ASP 54 H ASP 54 -2.417 -5.845 -7.202 435 HA ASP 54 HA ASP 54 -1.049 -3.658 -5.966 436 HB2 ASP 54 2HB ASP 54 -1.044 -2.635 -8.115 437 HB3 ASP 54 1HB ASP 54 -0.786 -4.356 -8.383 438 H ILE 55 H ILE 55 -1.851 -1.659 -5.427 439 HA ILE 55 HA ILE 55 -4.745 -1.518 -5.108 440 HB ILE 55 HB ILE 55 -2.489 -0.100 -3.722 441 HG12 ILE 55 2HG1 ILE 55 -4.751 -1.875 -2.782 442 HG13 ILE 55 1HG1 ILE 55 -3.042 -2.293 -2.846 443 HG21 ILE 55 1HG2 ILE 55 -5.124 0.914 -4.250 444 HG22 ILE 55 2HG2 ILE 55 -3.769 1.689 -3.430 445 HG23 ILE 55 3HG2 ILE 55 -4.890 0.680 -2.518 446 HD11 ILE 55 3HD1 ILE 55 -4.529 -0.659 -0.887 447 HD12 ILE 55 1HD1 ILE 55 -2.878 -0.165 -1.262 448 HD13 ILE 55 2HD1 ILE 55 -3.195 -1.789 -0.650 449 HA PRO 56 HA PRO 56 -2.933 2.638 -7.285 450 HB2 PRO 56 2HB PRO 56 -1.753 0.897 -9.408 451 HB3 PRO 56 1HB PRO 56 -1.222 2.481 -8.828 452 HG2 PRO 56 2HG PRO 56 0.053 0.269 -8.078 453 HG3 PRO 56 1HG PRO 56 -0.214 1.598 -6.935 454 HD2 PRO 56 2HD PRO 56 -1.570 -1.045 -7.117 455 HD3 PRO 56 1HD PRO 56 -1.220 -0.049 -5.691 456 H ASP 57 H ASP 57 -3.272 2.973 -9.929 457 HA ASP 57 HA ASP 57 -4.804 3.046 -11.610 458 HB2 ASP 57 2HB ASP 57 -5.246 0.269 -10.560 459 HB3 ASP 57 1HB ASP 57 -6.318 0.926 -11.793 460 H HIS 58 H HIS 58 -7.315 2.803 -11.983 461 HA HIS 58 HA HIS 58 -8.683 4.624 -10.580 462 HB2 HIS 58 2HB HIS 58 -10.573 2.542 -11.006 463 HB3 HIS 58 1HB HIS 58 -10.292 3.976 -11.988 464 HD1 HIS 58 1HD HIS 58 -9.835 0.322 -11.946 465 HD2 HIS 58 2HD HIS 58 -8.490 3.554 -14.185 466 HE1 HIS 58 1HE HIS 58 -8.864 -0.670 -14.043 467 HE2 HIS 58 2HE HIS 58 -7.981 1.299 -15.343 468 H ASP 59 H ASP 59 -7.844 1.469 -9.441 469 HA ASP 59 HA ASP 59 -9.716 1.257 -7.339 470 HB2 ASP 59 2HB ASP 59 -7.268 -0.138 -8.183 471 HB3 ASP 59 1HB ASP 59 -7.563 -0.177 -6.447 472 H ALA 60 H ALA 60 -6.392 2.491 -7.464 473 HA ALA 60 HA ALA 60 -6.259 3.125 -4.702 474 HB1 ALA 60 1HB ALA 60 -4.600 4.317 -6.913 475 HB2 ALA 60 2HB ALA 60 -4.285 2.743 -6.183 476 HB3 ALA 60 3HB ALA 60 -4.188 4.205 -5.202 477 H GLU 61 H GLU 61 -7.534 4.725 -7.472 478 HA GLU 61 HA GLU 61 -7.586 7.335 -6.257 479 HB2 GLU 61 2HB GLU 61 -8.905 6.330 -8.783 480 HB3 GLU 61 1HB GLU 61 -8.802 8.013 -8.284 481 HG2 GLU 61 2HG GLU 61 -6.222 6.648 -8.398 482 HG3 GLU 61 1HG GLU 61 -7.058 6.748 -9.947 483 H LYS 62 H LYS 62 -9.634 4.569 -6.444 484 HA LYS 62 HA LYS 62 -12.093 5.892 -5.892 485 HB2 LYS 62 2HB LYS 62 -11.179 3.038 -5.834 486 HB3 LYS 62 1HB LYS 62 -12.750 3.477 -5.180 487 HG2 LYS 62 2HG LYS 62 -11.832 3.333 -7.968 488 HG3 LYS 62 1HG LYS 62 -13.431 3.049 -7.278 489 HD2 LYS 62 2HD LYS 62 -13.849 5.412 -7.135 490 HD3 LYS 62 1HD LYS 62 -12.197 5.777 -7.637 491 HE2 LYS 62 2HE LYS 62 -13.892 6.030 -9.446 492 HE3 LYS 62 1HE LYS 62 -12.595 4.896 -9.823 493 HZ1 LYS 62 3HZ LYS 62 -15.420 4.422 -9.529 494 HZ2 LYS 62 1HZ LYS 62 -14.458 3.305 -8.696 495 HZ3 LYS 62 2HZ LYS 62 -14.253 3.524 -10.361 496 H ILE 63 H ILE 63 -9.501 5.914 -4.062 497 HA ILE 63 HA ILE 63 -10.889 5.387 -1.544 498 HB ILE 63 HB ILE 63 -8.404 4.550 -2.320 499 HG12 ILE 63 2HG1 ILE 63 -8.511 4.892 0.556 500 HG13 ILE 63 1HG1 ILE 63 -10.073 4.380 -0.077 501 HG21 ILE 63 1HG2 ILE 63 -7.650 6.940 -2.157 502 HG22 ILE 63 2HG2 ILE 63 -6.730 5.794 -1.182 503 HG23 ILE 63 3HG2 ILE 63 -7.933 6.836 -0.419 504 HD11 ILE 63 3HD1 ILE 63 -7.539 2.917 0.120 505 HD12 ILE 63 1HD1 ILE 63 -8.431 2.686 -1.383 506 HD13 ILE 63 2HD1 ILE 63 -9.203 2.331 0.163 507 H GLN 64 H GLN 64 -11.595 7.074 -0.417 508 HA GLN 64 HA GLN 64 -10.319 9.661 -0.835 509 HB2 GLN 64 2HB GLN 64 -13.206 9.126 -0.141 510 HB3 GLN 64 1HB GLN 64 -12.482 10.713 -0.360 511 HG2 GLN 64 2HG GLN 64 -13.243 10.547 -2.447 512 HG3 GLN 64 1HG GLN 64 -11.847 9.502 -2.708 513 HE21 GLN 64 1HE2 GLN 64 -12.199 7.176 -2.318 514 HE22 GLN 64 2HE2 GLN 64 -13.729 6.500 -2.751 515 H SER 65 H SER 65 -11.310 7.283 1.427 516 HA SER 65 HA SER 65 -10.454 9.035 3.635 517 HB2 SER 65 2HB SER 65 -12.303 6.751 4.167 518 HB3 SER 65 1HB SER 65 -12.148 8.290 5.012 519 HG SER 65 HG SER 65 -13.223 7.977 2.404 520 H ILE 66 H ILE 66 -9.276 8.064 5.328 521 HA ILE 66 HA ILE 66 -7.417 6.113 4.514 522 HB ILE 66 HB ILE 66 -7.967 6.792 7.391 523 HG12 ILE 66 2HG1 ILE 66 -7.763 8.788 5.655 524 HG13 ILE 66 1HG1 ILE 66 -6.972 8.858 7.225 525 HG21 ILE 66 1HG2 ILE 66 -5.855 5.464 5.895 526 HG22 ILE 66 2HG2 ILE 66 -6.224 5.419 7.619 527 HG23 ILE 66 3HG2 ILE 66 -5.253 6.734 6.960 528 HD11 ILE 66 3HD1 ILE 66 -4.885 8.098 6.183 529 HD12 ILE 66 1HD1 ILE 66 -5.474 9.610 5.492 530 HD13 ILE 66 2HD1 ILE 66 -5.689 8.095 4.613 531 HA PRO 67 HA PRO 67 -10.251 3.415 7.623 532 HB2 PRO 67 2HB PRO 67 -12.744 4.298 6.243 533 HB3 PRO 67 1HB PRO 67 -12.490 3.856 7.936 534 HG2 PRO 67 2HG PRO 67 -12.741 6.409 7.225 535 HG3 PRO 67 1HG PRO 67 -11.584 5.921 8.478 536 HD2 PRO 67 2HD PRO 67 -11.091 6.711 5.645 537 HD3 PRO 67 1HD PRO 67 -10.100 7.000 7.088 538 H ASP 68 H ASP 68 -12.064 3.955 4.610 539 HA ASP 68 HA ASP 68 -12.275 1.288 3.890 540 HB2 ASP 68 2HB ASP 68 -12.871 3.828 2.704 541 HB3 ASP 68 1HB ASP 68 -12.128 2.792 1.489 542 H ALA 69 H ALA 69 -9.545 3.325 3.780 543 HA ALA 69 HA ALA 69 -8.132 2.153 1.638 544 HB1 ALA 69 1HB ALA 69 -7.594 4.351 2.657 545 HB2 ALA 69 2HB ALA 69 -6.199 3.286 2.490 546 HB3 ALA 69 3HB ALA 69 -6.964 3.496 4.065 547 H VAL 70 H VAL 70 -6.856 1.985 4.891 548 HA VAL 70 HA VAL 70 -5.643 -0.525 4.477 549 HB VAL 70 HB VAL 70 -4.792 1.112 6.108 550 HG11 VAL 70 1HG1 VAL 70 -7.438 1.180 6.985 551 HG12 VAL 70 2HG1 VAL 70 -6.057 2.013 7.698 552 HG13 VAL 70 3HG1 VAL 70 -6.535 0.427 8.299 553 HG21 VAL 70 3HG2 VAL 70 -3.786 -0.549 7.204 554 HG22 VAL 70 1HG2 VAL 70 -4.874 -1.644 6.352 555 HG23 VAL 70 2HG2 VAL 70 -5.293 -1.061 7.963 556 H GLU 71 H GLU 71 -8.816 0.349 5.346 557 HA GLU 71 HA GLU 71 -9.500 -1.948 6.866 558 HB2 GLU 71 2HB GLU 71 -11.170 0.082 5.388 559 HB3 GLU 71 1HB GLU 71 -11.867 -1.231 6.326 560 HG2 GLU 71 2HG GLU 71 -9.964 0.784 7.485 561 HG3 GLU 71 1HG GLU 71 -11.715 0.991 7.484 562 H TYR 72 H TYR 72 -9.851 -1.058 3.455 563 HA TYR 72 HA TYR 72 -11.241 -3.385 2.683 564 HB2 TYR 72 2HB TYR 72 -11.393 -2.308 0.730 565 HB3 TYR 72 1HB TYR 72 -10.436 -1.015 1.444 566 HD1 TYR 72 1HD TYR 72 -8.031 -0.859 1.003 567 HD2 TYR 72 2HD TYR 72 -10.419 -3.861 -0.836 568 HE1 TYR 72 1HE TYR 72 -6.235 -1.282 -0.621 569 HE2 TYR 72 2HE TYR 72 -8.629 -4.293 -2.467 570 HH TYR 72 HH TYR 72 -5.653 -3.615 -2.154 571 H ILE 73 H ILE 73 -7.830 -2.500 2.454 572 HA ILE 73 HA ILE 73 -6.991 -4.951 1.331 573 HB ILE 73 HB ILE 73 -4.706 -4.186 2.375 574 HG12 ILE 73 2HG1 ILE 73 -6.442 -2.249 3.438 575 HG13 ILE 73 1HG1 ILE 73 -4.683 -2.249 3.492 576 HG21 ILE 73 1HG2 ILE 73 -6.111 -3.644 -0.031 577 HG22 ILE 73 2HG2 ILE 73 -4.372 -3.776 0.227 578 HG23 ILE 73 3HG2 ILE 73 -5.172 -2.215 0.396 579 HD11 ILE 73 3HD1 ILE 73 -5.660 -0.152 2.633 580 HD12 ILE 73 1HD1 ILE 73 -6.313 -1.055 1.267 581 HD13 ILE 73 2HD1 ILE 73 -4.568 -0.938 1.492 582 H ALA 74 H ALA 74 -7.430 -3.841 4.598 583 HA ALA 74 HA ALA 74 -6.011 -5.885 5.914 584 HB1 ALA 74 1HB ALA 74 -6.646 -3.813 7.033 585 HB2 ALA 74 2HB ALA 74 -7.250 -5.219 7.910 586 HB3 ALA 74 3HB ALA 74 -8.346 -4.265 6.911 587 H GLN 75 H GLN 75 -9.434 -5.534 5.149 588 HA GLN 75 HA GLN 75 -10.087 -8.141 6.117 589 HB2 GLN 75 2HB GLN 75 -11.532 -5.812 5.135 590 HB3 GLN 75 1HB GLN 75 -12.221 -7.325 4.567 591 HG2 GLN 75 2HG GLN 75 -13.302 -7.427 6.494 592 HG3 GLN 75 1HG GLN 75 -11.752 -7.775 7.253 593 HE21 GLN 75 1HE2 GLN 75 -10.792 -5.074 6.543 594 HE22 GLN 75 2HE2 GLN 75 -11.510 -4.024 7.707 595 H ASN 76 H ASN 76 -10.958 -6.861 2.957 596 HA ASN 76 HA ASN 76 -11.320 -8.988 1.468 597 HB2 ASN 76 2HB ASN 76 -9.911 -6.461 0.885 598 HB3 ASN 76 1HB ASN 76 -9.602 -7.764 -0.258 599 HD21 ASN 76 1HD2 ASN 76 -11.414 -5.159 0.172 600 HD22 ASN 76 2HD2 ASN 76 -12.854 -5.620 -0.666 601 HA PRO 77 HA PRO 77 -6.674 -10.189 0.671 602 HB2 PRO 77 2HB PRO 77 -5.347 -8.427 2.668 603 HB3 PRO 77 1HB PRO 77 -4.816 -8.892 1.049 604 HG2 PRO 77 2HG PRO 77 -5.777 -6.455 1.502 605 HG3 PRO 77 1HG PRO 77 -6.174 -7.323 0.009 606 HD2 PRO 77 2HD PRO 77 -7.851 -6.886 2.448 607 HD3 PRO 77 1HD PRO 77 -8.319 -6.884 0.736 608 H MET 78 H MET 78 -7.607 -9.177 3.950 609 HA MET 78 HA MET 78 -6.173 -11.021 5.436 610 HB2 MET 78 2HB MET 78 -7.223 -9.593 6.852 611 HB3 MET 78 1HB MET 78 -8.651 -9.465 5.834 612 HG2 MET 78 2HG MET 78 -9.466 -11.587 6.646 613 HG3 MET 78 1HG MET 78 -7.999 -11.815 7.596 614 HE1 MET 78 3HE MET 78 -8.509 -11.945 9.920 615 HE2 MET 78 1HE MET 78 -10.197 -12.272 9.525 616 HE3 MET 78 2HE MET 78 -9.796 -11.093 10.774 617 H ALA 79 H ALA 79 -8.755 -11.583 3.269 618 HA ALA 79 HA ALA 79 -8.745 -14.389 4.000 619 HB1 ALA 79 1HB ALA 79 -11.187 -12.665 3.803 620 HB2 ALA 79 2HB ALA 79 -10.691 -13.726 5.121 621 HB3 ALA 79 3HB ALA 79 -11.262 -14.415 3.600 622 H LYS 80 H LYS 80 -7.873 -12.465 1.743 623 HA LYS 80 HA LYS 80 -8.745 -12.380 -0.611 624 HB2 LYS 80 2HB LYS 80 -6.436 -14.246 -0.047 625 HB3 LYS 80 1HB LYS 80 -6.826 -13.603 -1.637 626 HG2 LYS 80 2HG LYS 80 -6.332 -11.382 -0.951 627 HG3 LYS 80 1HG LYS 80 -6.209 -11.869 0.741 628 HD2 LYS 80 2HD LYS 80 -4.248 -13.222 0.221 629 HD3 LYS 80 1HD LYS 80 -4.381 -12.778 -1.482 630 HE2 LYS 80 2HE LYS 80 -3.010 -11.085 -1.013 631 HE3 LYS 80 1HE LYS 80 -4.375 -10.346 -0.178 632 HZ1 LYS 80 3HZ LYS 80 -3.642 -11.258 1.879 633 HZ2 LYS 80 1HZ LYS 80 -2.311 -10.496 1.164 634 HZ3 LYS 80 2HZ LYS 80 -2.442 -12.182 1.126 635 H282 PNS 101 8H2 PNS 101 2.018 13.173 -11.282 636 H281 PNS 101 9H2 PNS 101 2.317 12.519 -9.669 637 H303 PNS 101 0H3 PNS 101 3.030 15.646 -8.453 638 H302 PNS 101 1H3 PNS 101 1.873 15.826 -9.771 639 H301 PNS 101 2H3 PNS 101 3.515 16.445 -9.949 640 H313 PNS 101 3H3 PNS 101 4.719 14.433 -8.470 641 H312 PNS 101 4H3 PNS 101 5.173 13.295 -9.739 642 H311 PNS 101 5H3 PNS 101 3.874 12.893 -8.616 643 H32 PNS 101 6H3 PNS 101 3.171 14.211 -12.076 644 H33 PNS 101 7H3 PNS 101 3.879 15.959 -12.821 645 H36 PNS 101 8H3 PNS 101 6.447 14.844 -11.313 646 H372 PNS 101 9H3 PNS 101 7.069 12.010 -11.547 647 H371 PNS 101 0H4 PNS 101 6.984 12.677 -9.918 648 H382 PNS 101 1H4 PNS 101 8.683 14.373 -10.612 649 H381 PNS 101 2H4 PNS 101 9.266 12.709 -10.584 650 H41 PNS 101 3H4 PNS 101 7.535 14.823 -12.683 651 H422 PNS 101 4H4 PNS 101 9.556 14.554 -14.812 652 H421 PNS 101 5H4 PNS 101 7.873 15.001 -15.082 653 H431 PNS 101 7H4 PNS 101 8.522 17.133 -14.993 654 H432 PNS 101 6H4 PNS 101 8.843 16.892 -13.270 655 H44 PNS 101 8H4 PNS 101 11.219 15.982 -14.859 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -5.502 -7.662 8.546 2 H2 MET 1 2HT MET 1 -5.869 -9.330 8.717 3 H3 MET 1 3HT MET 1 -4.263 -8.833 8.373 4 HA MET 1 HA MET 1 -5.805 -8.477 10.845 5 HB2 MET 1 2HB MET 1 -3.891 -10.351 9.855 6 HB3 MET 1 1HB MET 1 -3.142 -9.442 11.159 7 HG2 MET 1 2HG MET 1 -5.128 -9.986 12.570 8 HG3 MET 1 1HG MET 1 -5.679 -11.049 11.276 9 HE1 MET 1 2HE MET 1 -4.839 -11.925 14.531 10 HE2 MET 1 3HE MET 1 -3.749 -10.552 14.335 11 HE3 MET 1 1HE MET 1 -3.096 -12.155 14.670 12 H ASN 2 H ASN 2 -3.667 -7.949 12.472 13 HA ASN 2 HA ASN 2 -3.375 -5.179 12.244 14 HB2 ASN 2 2HB ASN 2 -1.735 -7.153 13.838 15 HB3 ASN 2 1HB ASN 2 -1.673 -5.404 14.042 16 HD21 ASN 2 1HD2 ASN 2 -4.754 -6.230 13.202 17 HD22 ASN 2 2HD2 ASN 2 -5.457 -6.335 14.776 18 H ASP 3 H ASP 3 -1.416 -7.794 11.065 19 HA ASP 3 HA ASP 3 1.006 -6.575 10.623 20 HB2 ASP 3 2HB ASP 3 1.349 -8.184 8.806 21 HB3 ASP 3 1HB ASP 3 0.600 -8.955 10.202 22 H VAL 4 H VAL 4 -1.970 -6.173 8.864 23 HA VAL 4 HA VAL 4 -0.842 -4.861 6.608 24 HB VAL 4 HB VAL 4 -3.141 -4.161 6.080 25 HG11 VAL 4 1HG1 VAL 4 -2.598 -6.270 5.240 26 HG12 VAL 4 2HG1 VAL 4 -4.131 -6.526 6.074 27 HG13 VAL 4 3HG1 VAL 4 -2.618 -7.016 6.837 28 HG21 VAL 4 3HG2 VAL 4 -4.747 -5.511 7.862 29 HG22 VAL 4 1HG2 VAL 4 -4.496 -3.767 7.812 30 HG23 VAL 4 2HG2 VAL 4 -3.534 -4.764 8.900 31 H LEU 5 H LEU 5 -2.540 -3.643 9.492 32 HA LEU 5 HA LEU 5 -2.273 -0.920 8.823 33 HB2 LEU 5 2HB LEU 5 -3.372 -2.471 10.956 34 HB3 LEU 5 1HB LEU 5 -2.446 -1.140 11.621 35 HG LEU 5 HG LEU 5 -3.861 0.202 9.774 36 HD11 LEU 5 1HD1 LEU 5 -5.008 -2.260 9.548 37 HD12 LEU 5 2HD1 LEU 5 -5.789 -0.735 9.131 38 HD13 LEU 5 3HD1 LEU 5 -6.072 -1.467 10.710 39 HD21 LEU 5 3HD2 LEU 5 -4.933 -0.543 12.491 40 HD22 LEU 5 1HD2 LEU 5 -5.301 0.913 11.567 41 HD23 LEU 5 2HD2 LEU 5 -3.676 0.659 12.202 42 H THR 6 H THR 6 -0.274 -3.134 10.622 43 HA THR 6 HA THR 6 1.413 -1.278 11.860 44 HB THR 6 HB THR 6 1.640 -3.385 12.750 45 HG1 THR 6 1HG THR 6 3.736 -2.428 11.832 46 HG21 THR 6 3HG2 THR 6 2.403 -5.096 10.625 47 HG22 THR 6 1HG2 THR 6 0.904 -4.282 10.179 48 HG23 THR 6 2HG2 THR 6 0.994 -5.200 11.683 49 H ARG 7 H ARG 7 2.018 -3.163 8.921 50 HA ARG 7 HA ARG 7 4.354 -1.667 8.269 51 HB2 ARG 7 2HB ARG 7 4.792 -3.456 7.016 52 HB3 ARG 7 1HB ARG 7 3.245 -4.134 7.504 53 HG2 ARG 7 2HG ARG 7 3.051 -4.207 5.230 54 HG3 ARG 7 1HG ARG 7 2.318 -2.638 5.570 55 HD2 ARG 7 2HD ARG 7 3.738 -1.990 3.922 56 HD3 ARG 7 1HD ARG 7 4.843 -1.846 5.288 57 HE ARG 7 HE ARG 7 4.774 -4.356 3.781 58 HH11 ARG 7 1HH1 ARG 7 6.435 -1.434 4.689 59 HH12 ARG 7 2HH1 ARG 7 7.975 -1.974 4.107 60 HH21 ARG 7 1HH2 ARG 7 6.796 -5.078 3.012 61 HH22 ARG 7 2HH2 ARG 7 8.179 -4.047 3.153 62 H VAL 8 H VAL 8 1.052 -1.849 7.036 63 HA VAL 8 HA VAL 8 1.408 -0.069 4.894 64 HB VAL 8 HB VAL 8 -0.585 -1.686 5.492 65 HG11 VAL 8 1HG1 VAL 8 -2.537 -0.503 6.335 66 HG12 VAL 8 2HG1 VAL 8 -1.575 0.959 6.552 67 HG13 VAL 8 3HG1 VAL 8 -1.233 -0.474 7.522 68 HG21 VAL 8 3HG2 VAL 8 -1.914 0.434 4.189 69 HG22 VAL 8 1HG2 VAL 8 -1.143 -0.977 3.464 70 HG23 VAL 8 2HG2 VAL 8 -0.221 0.508 3.700 71 H LEU 9 H LEU 9 0.094 0.453 8.157 72 HA LEU 9 HA LEU 9 -0.360 3.218 7.865 73 HB2 LEU 9 2HB LEU 9 -0.946 3.213 10.079 74 HB3 LEU 9 1HB LEU 9 -1.131 1.513 9.699 75 HG LEU 9 HG LEU 9 1.278 1.254 10.576 76 HD11 LEU 9 1HD1 LEU 9 1.192 3.977 10.694 77 HD12 LEU 9 2HD1 LEU 9 2.317 2.956 11.589 78 HD13 LEU 9 3HD1 LEU 9 0.838 3.527 12.362 79 HD21 LEU 9 3HD2 LEU 9 0.408 1.279 12.967 80 HD22 LEU 9 1HD2 LEU 9 -0.469 0.280 11.808 81 HD23 LEU 9 2HD2 LEU 9 -1.117 1.849 12.288 82 H GLU 10 H GLU 10 2.388 1.402 9.167 83 HA GLU 10 HA GLU 10 3.909 3.635 9.959 84 HB2 GLU 10 2HB GLU 10 5.727 2.122 10.234 85 HB3 GLU 10 1HB GLU 10 4.269 1.245 10.679 86 HG2 GLU 10 2HG GLU 10 4.764 -0.331 9.218 87 HG3 GLU 10 1HG GLU 10 4.709 0.849 7.909 88 H VAL 11 H VAL 11 3.552 1.928 6.962 89 HA VAL 11 HA VAL 11 5.770 2.839 5.577 90 HB VAL 11 HB VAL 11 3.173 1.736 4.847 91 HG11 VAL 11 1HG1 VAL 11 3.377 3.767 3.409 92 HG12 VAL 11 2HG1 VAL 11 3.297 2.243 2.523 93 HG13 VAL 11 3HG1 VAL 11 4.845 3.062 2.733 94 HG21 VAL 11 3HG2 VAL 11 5.407 0.894 3.259 95 HG22 VAL 11 1HG2 VAL 11 4.435 -0.031 4.404 96 HG23 VAL 11 2HG2 VAL 11 5.828 0.889 4.973 97 H VAL 12 H VAL 12 2.505 4.182 5.585 98 HA VAL 12 HA VAL 12 3.166 6.445 4.003 99 HB VAL 12 HB VAL 12 0.977 7.020 4.124 100 HG11 VAL 12 1HG1 VAL 12 -0.128 5.114 3.762 101 HG12 VAL 12 2HG1 VAL 12 0.118 4.558 5.417 102 HG13 VAL 12 3HG1 VAL 12 1.371 4.297 4.204 103 HG21 VAL 12 3HG2 VAL 12 0.937 6.156 7.015 104 HG22 VAL 12 1HG2 VAL 12 -0.403 6.910 6.151 105 HG23 VAL 12 2HG2 VAL 12 1.089 7.810 6.423 106 H LYS 13 H LYS 13 2.630 6.032 7.496 107 HA LYS 13 HA LYS 13 2.992 8.655 8.301 108 HB2 LYS 13 2HB LYS 13 3.330 7.826 10.482 109 HB3 LYS 13 1HB LYS 13 2.301 6.634 9.700 110 HG2 LYS 13 2HG LYS 13 4.283 5.239 9.268 111 HG3 LYS 13 1HG LYS 13 5.272 6.421 10.140 112 HD2 LYS 13 2HD LYS 13 2.956 4.858 11.285 113 HD3 LYS 13 1HD LYS 13 4.667 4.529 11.572 114 HE2 LYS 13 2HE LYS 13 3.836 7.288 12.126 115 HE3 LYS 13 1HE LYS 13 3.086 6.075 13.163 116 HZ1 LYS 13 3HZ LYS 13 5.173 6.936 14.075 117 HZ2 LYS 13 1HZ LYS 13 6.010 6.357 12.722 118 HZ3 LYS 13 2HZ LYS 13 5.257 5.273 13.780 119 H ASN 14 H ASN 14 5.451 6.110 7.952 120 HA ASN 14 HA ASN 14 7.576 7.968 8.479 121 HB2 ASN 14 2HB ASN 14 7.833 5.127 7.497 122 HB3 ASN 14 1HB ASN 14 9.056 6.091 8.320 123 HD21 ASN 14 1HD2 ASN 14 6.877 3.683 8.711 124 HD22 ASN 14 2HD2 ASN 14 6.635 3.778 10.419 125 H PHE 15 H PHE 15 5.692 7.369 5.859 126 HA PHE 15 HA PHE 15 7.564 7.250 3.752 127 HB2 PHE 15 2HB PHE 15 4.687 7.527 4.034 128 HB3 PHE 15 1HB PHE 15 5.309 8.531 2.729 129 HD1 PHE 15 1HD PHE 15 7.219 5.576 3.456 130 HD2 PHE 15 2HD PHE 15 3.911 7.081 1.240 131 HE1 PHE 15 1HE PHE 15 7.311 3.604 1.988 132 HE2 PHE 15 2HE PHE 15 3.997 5.111 -0.232 133 HZ PHE 15 HZ PHE 15 5.698 3.369 0.141 134 H GLU 16 H GLU 16 6.346 9.814 5.704 135 HA GLU 16 HA GLU 16 7.562 11.846 5.948 136 HB2 GLU 16 2HB GLU 16 8.983 12.661 4.332 137 HB3 GLU 16 1HB GLU 16 9.033 10.945 3.962 138 HG2 GLU 16 2HG GLU 16 8.338 11.349 1.910 139 HG3 GLU 16 1HG GLU 16 6.877 12.106 2.535 140 H LYS 17 H LYS 17 4.994 10.839 4.065 141 HA LYS 17 HA LYS 17 4.097 13.352 3.090 142 HB2 LYS 17 2HB LYS 17 3.238 10.604 2.965 143 HB3 LYS 17 1HB LYS 17 1.874 11.657 3.315 144 HG2 LYS 17 2HG LYS 17 1.977 11.447 0.972 145 HG3 LYS 17 1HG LYS 17 2.598 13.055 1.351 146 HD2 LYS 17 2HD LYS 17 3.846 11.404 -0.321 147 HD3 LYS 17 1HD LYS 17 4.719 12.536 0.712 148 HE2 LYS 17 2HE LYS 17 5.801 10.437 0.926 149 HE3 LYS 17 1HE LYS 17 4.883 10.688 2.409 150 HZ1 LYS 17 3HZ LYS 17 4.757 8.511 0.722 151 HZ2 LYS 17 1HZ LYS 17 3.306 9.346 0.475 152 HZ3 LYS 17 2HZ LYS 17 3.739 8.845 2.031 153 H VAL 18 H VAL 18 3.609 11.527 6.036 154 HA VAL 18 HA VAL 18 2.874 13.724 7.573 155 HB VAL 18 HB VAL 18 0.406 12.904 7.954 156 HG11 VAL 18 1HG1 VAL 18 1.516 15.079 6.810 157 HG12 VAL 18 2HG1 VAL 18 -0.223 14.836 6.977 158 HG13 VAL 18 3HG1 VAL 18 0.579 14.452 5.453 159 HG21 VAL 18 3HG2 VAL 18 -0.655 11.802 6.265 160 HG22 VAL 18 1HG2 VAL 18 0.956 11.110 6.078 161 HG23 VAL 18 2HG2 VAL 18 0.433 12.425 5.025 162 H ASP 19 H ASP 19 2.754 13.211 9.730 163 HA ASP 19 HA ASP 19 3.635 10.614 10.477 164 HB2 ASP 19 2HB ASP 19 2.661 12.780 12.337 165 HB3 ASP 19 1HB ASP 19 3.780 11.470 12.703 166 H ALA 20 H ALA 20 2.552 8.986 11.523 167 HA ALA 20 HA ALA 20 -0.215 8.734 11.060 168 HB1 ALA 20 1HB ALA 20 0.728 6.950 13.123 169 HB2 ALA 20 2HB ALA 20 1.867 7.034 11.778 170 HB3 ALA 20 3HB ALA 20 0.186 6.588 11.483 171 H SER 21 H SER 21 1.494 10.317 13.514 172 HA SER 21 HA SER 21 -0.249 9.927 15.699 173 HB2 SER 21 2HB SER 21 0.885 12.454 16.038 174 HB3 SER 21 1HB SER 21 1.526 10.927 16.645 175 HG SER 21 HG SER 21 2.710 10.738 14.700 176 H LYS 22 H LYS 22 -0.510 11.796 12.848 177 HA LYS 22 HA LYS 22 -2.620 13.452 13.995 178 HB2 LYS 22 2HB LYS 22 -2.469 14.537 11.632 179 HB3 LYS 22 1HB LYS 22 -1.222 14.878 12.824 180 HG2 LYS 22 2HG LYS 22 -0.146 14.477 10.748 181 HG3 LYS 22 1HG LYS 22 0.157 13.078 11.780 182 HD2 LYS 22 2HD LYS 22 -0.393 12.332 9.547 183 HD3 LYS 22 1HD LYS 22 -1.695 11.890 10.652 184 HE2 LYS 22 2HE LYS 22 -2.502 14.350 9.806 185 HE3 LYS 22 1HE LYS 22 -1.697 13.728 8.366 186 HZ1 LYS 22 3HZ LYS 22 -4.071 13.183 8.438 187 HZ2 LYS 22 1HZ LYS 22 -3.829 12.303 9.862 188 HZ3 LYS 22 2HZ LYS 22 -3.106 11.795 8.421 189 H VAL 23 H VAL 23 -2.141 10.678 12.108 190 HA VAL 23 HA VAL 23 -4.534 10.855 10.548 191 HB VAL 23 HB VAL 23 -3.969 8.822 9.621 192 HG11 VAL 23 1HG1 VAL 23 -1.481 8.726 9.437 193 HG12 VAL 23 2HG1 VAL 23 -1.394 9.970 10.684 194 HG13 VAL 23 3HG1 VAL 23 -2.170 10.321 9.140 195 HG21 VAL 23 3HG2 VAL 23 -4.075 7.622 11.816 196 HG22 VAL 23 1HG2 VAL 23 -2.385 8.058 12.067 197 HG23 VAL 23 2HG2 VAL 23 -2.837 7.025 10.711 198 H THR 24 H THR 24 -6.536 10.389 11.181 199 HA THR 24 HA THR 24 -6.897 8.834 13.619 200 HB THR 24 HB THR 24 -7.834 11.402 12.971 201 HG1 THR 24 1HG THR 24 -9.129 10.177 15.032 202 HG21 THR 24 3HG2 THR 24 -9.699 9.925 11.846 203 HG22 THR 24 1HG2 THR 24 -10.095 11.371 12.773 204 HG23 THR 24 2HG2 THR 24 -10.253 9.778 13.514 205 HA PRO 25 HA PRO 25 -9.309 5.709 11.700 206 HB2 PRO 25 2HB PRO 25 -11.661 6.476 13.349 207 HB3 PRO 25 1HB PRO 25 -10.850 4.913 13.203 208 HG2 PRO 25 2HG PRO 25 -10.529 6.419 15.378 209 HG3 PRO 25 1HG PRO 25 -9.178 5.491 14.700 210 HD2 PRO 25 2HD PRO 25 -9.751 8.419 14.518 211 HD3 PRO 25 1HD PRO 25 -8.195 7.582 14.689 212 H GLU 26 H GLU 26 -10.997 8.788 12.123 213 HA GLU 26 HA GLU 26 -12.533 8.266 9.696 214 HB2 GLU 26 2HB GLU 26 -13.890 8.868 11.612 215 HB3 GLU 26 1HB GLU 26 -12.930 10.317 11.873 216 HG2 GLU 26 2HG GLU 26 -13.882 10.403 9.215 217 HG3 GLU 26 1HG GLU 26 -15.238 9.965 10.254 218 H SER 27 H SER 27 -9.646 9.347 10.216 219 HA SER 27 HA SER 27 -9.560 11.983 9.241 220 HB2 SER 27 2HB SER 27 -7.564 11.417 10.229 221 HB3 SER 27 1HB SER 27 -7.583 9.779 9.575 222 HG SER 27 HG SER 27 -5.999 11.234 8.628 223 H HIS 28 H HIS 28 -9.638 12.819 7.250 224 HA HIS 28 HA HIS 28 -10.338 11.120 5.058 225 HB2 HIS 28 2HB HIS 28 -10.040 14.103 5.348 226 HB3 HIS 28 1HB HIS 28 -10.405 13.342 3.803 227 HD1 HIS 28 1HD HIS 28 -12.105 11.411 6.261 228 HD2 HIS 28 2HD HIS 28 -12.809 15.074 4.428 229 HE1 HIS 28 1HE HIS 28 -14.555 11.870 6.595 230 HE2 HIS 28 2HE HIS 28 -14.975 14.049 5.403 231 H PHE 29 H PHE 29 -9.217 10.917 3.086 232 HA PHE 29 HA PHE 29 -6.410 10.709 3.332 233 HB2 PHE 29 2HB PHE 29 -8.050 9.393 1.804 234 HB3 PHE 29 1HB PHE 29 -7.827 10.733 0.684 235 HD1 PHE 29 2HD PHE 29 -4.832 10.722 2.227 236 HD2 PHE 29 1HD PHE 29 -7.122 8.231 -0.353 237 HE1 PHE 29 2HE PHE 29 -2.762 9.680 1.401 238 HE2 PHE 29 1HE PHE 29 -5.055 7.185 -1.184 239 HZ PHE 29 HZ PHE 29 -2.872 7.910 -0.308 240 H VAL 30 H VAL 30 -6.499 11.773 0.314 241 HA VAL 30 HA VAL 30 -4.832 13.823 0.370 242 HB VAL 30 HB VAL 30 -5.684 14.675 -1.667 243 HG11 VAL 30 1HG1 VAL 30 -6.776 12.218 -2.460 244 HG12 VAL 30 2HG1 VAL 30 -5.611 11.845 -1.191 245 HG13 VAL 30 3HG1 VAL 30 -5.103 12.752 -2.615 246 HG21 VAL 30 3HG2 VAL 30 -8.325 13.604 -0.721 247 HG22 VAL 30 1HG2 VAL 30 -8.033 14.009 -2.413 248 HG23 VAL 30 2HG2 VAL 30 -7.903 15.256 -1.173 249 H LYS 31 H LYS 31 -8.137 14.002 1.395 250 HA LYS 31 HA LYS 31 -8.389 16.799 1.567 251 HB2 LYS 31 2HB LYS 31 -9.805 15.020 3.502 252 HB3 LYS 31 1HB LYS 31 -10.409 16.418 2.626 253 HG2 LYS 31 2HG LYS 31 -9.899 13.669 1.514 254 HG3 LYS 31 1HG LYS 31 -11.465 14.441 1.779 255 HD2 LYS 31 2HD LYS 31 -9.799 16.130 0.162 256 HD3 LYS 31 1HD LYS 31 -9.879 14.514 -0.541 257 HE2 LYS 31 2HE LYS 31 -11.673 16.270 -1.186 258 HE3 LYS 31 1HE LYS 31 -12.170 14.615 -0.839 259 HZ1 LYS 31 3HZ LYS 31 -13.504 15.404 0.722 260 HZ2 LYS 31 1HZ LYS 31 -12.978 16.985 0.430 261 HZ3 LYS 31 2HZ LYS 31 -12.177 16.024 1.567 262 H ASP 32 H ASP 32 -7.437 14.376 3.977 263 HA ASP 32 HA ASP 32 -6.865 16.417 5.923 264 HB2 ASP 32 2HB ASP 32 -7.846 14.068 6.387 265 HB3 ASP 32 1HB ASP 32 -6.182 13.511 6.242 266 H LEU 33 H LEU 33 -5.315 15.709 3.286 267 HA LEU 33 HA LEU 33 -3.136 16.607 2.893 268 HB2 LEU 33 2HB LEU 33 -2.482 15.338 5.554 269 HB3 LEU 33 1HB LEU 33 -1.326 16.144 4.513 270 HG LEU 33 HG LEU 33 -1.867 18.158 5.307 271 HD11 LEU 33 1HD1 LEU 33 -3.895 19.138 5.001 272 HD12 LEU 33 2HD1 LEU 33 -4.790 17.730 5.571 273 HD13 LEU 33 3HD1 LEU 33 -4.101 17.740 3.948 274 HD21 LEU 33 3HD2 LEU 33 -1.949 17.814 7.496 275 HD22 LEU 33 1HD2 LEU 33 -2.686 16.229 7.261 276 HD23 LEU 33 2HD2 LEU 33 -3.702 17.666 7.373 277 H GLY 34 H GLY 34 -4.495 14.296 2.015 278 HA2 GLY 34 2HA GLY 34 -3.080 11.902 2.232 279 HA3 GLY 34 1HA GLY 34 -4.073 12.360 0.856 280 H LEU 35 H LEU 35 -1.615 10.855 0.827 281 HA LEU 35 HA LEU 35 0.569 12.450 0.025 282 HB2 LEU 35 2HB LEU 35 0.208 9.693 -1.047 283 HB3 LEU 35 1HB LEU 35 1.659 10.476 -0.450 284 HG LEU 35 HG LEU 35 1.368 9.128 1.327 285 HD11 LEU 35 1HD1 LEU 35 -0.932 10.565 2.411 286 HD12 LEU 35 2HD1 LEU 35 0.362 11.616 1.833 287 HD13 LEU 35 3HD1 LEU 35 0.701 10.386 3.050 288 HD21 LEU 35 3HD2 LEU 35 -1.148 8.638 0.027 289 HD22 LEU 35 1HD2 LEU 35 -1.361 8.704 1.776 290 HD23 LEU 35 2HD2 LEU 35 -0.201 7.578 1.071 291 H ASN 36 H ASN 36 1.372 12.930 -2.036 292 HA ASN 36 HA ASN 36 -0.586 13.530 -3.984 293 HB2 ASN 36 2HB ASN 36 1.179 14.480 -5.271 294 HB3 ASN 36 1HB ASN 36 1.541 14.820 -3.583 295 HD21 ASN 36 1HD2 ASN 36 2.525 13.231 -6.443 296 HD22 ASN 36 2HD2 ASN 36 4.024 12.613 -5.852 297 H SER 37 H SER 37 0.752 12.958 -6.395 298 HA SER 37 HA SER 37 -0.294 10.419 -6.971 299 HB2 SER 37 2HB SER 37 0.848 10.704 -9.179 300 HB3 SER 37 1HB SER 37 -0.160 12.072 -8.708 301 H LEU 38 H LEU 38 3.108 11.411 -7.128 302 HA LEU 38 HA LEU 38 4.191 8.913 -7.535 303 HB2 LEU 38 2HB LEU 38 6.258 9.829 -7.171 304 HB3 LEU 38 1HB LEU 38 5.310 11.246 -7.532 305 HG LEU 38 HG LEU 38 6.774 10.558 -5.137 306 HD11 LEU 38 1HD1 LEU 38 5.751 13.017 -6.483 307 HD12 LEU 38 2HD1 LEU 38 7.416 12.511 -6.196 308 HD13 LEU 38 3HD1 LEU 38 6.427 13.094 -4.856 309 HD21 LEU 38 3HD2 LEU 38 3.884 11.175 -4.949 310 HD22 LEU 38 1HD2 LEU 38 4.973 11.968 -3.813 311 HD23 LEU 38 2HD2 LEU 38 4.906 10.208 -3.885 312 H ASP 39 H ASP 39 2.719 10.059 -4.681 313 HA ASP 39 HA ASP 39 4.118 8.242 -2.926 314 HB2 ASP 39 2HB ASP 39 1.632 9.218 -1.831 315 HB3 ASP 39 1HB ASP 39 3.279 9.505 -1.282 316 H VAL 40 H VAL 40 0.624 8.550 -3.116 317 HA VAL 40 HA VAL 40 -0.251 6.172 -2.404 318 HB VAL 40 HB VAL 40 -1.405 8.153 -3.877 319 HG11 VAL 40 1HG1 VAL 40 -0.467 6.721 -5.889 320 HG12 VAL 40 2HG1 VAL 40 -2.044 7.506 -5.973 321 HG13 VAL 40 3HG1 VAL 40 -1.934 5.787 -5.597 322 HG21 VAL 40 3HG2 VAL 40 -3.008 7.257 -2.614 323 HG22 VAL 40 1HG2 VAL 40 -2.224 5.676 -2.612 324 HG23 VAL 40 2HG2 VAL 40 -3.293 6.130 -3.940 325 H VAL 41 H VAL 41 1.461 6.770 -5.412 326 HA VAL 41 HA VAL 41 1.077 4.172 -6.494 327 HB VAL 41 HB VAL 41 3.432 5.849 -7.247 328 HG11 VAL 41 1HG1 VAL 41 3.444 4.571 -9.072 329 HG12 VAL 41 2HG1 VAL 41 1.718 4.809 -9.344 330 HG13 VAL 41 3HG1 VAL 41 2.272 3.546 -8.245 331 HG21 VAL 41 3HG2 VAL 41 1.063 6.565 -8.742 332 HG22 VAL 41 1HG2 VAL 41 2.250 7.602 -7.951 333 HG23 VAL 41 2HG2 VAL 41 0.889 6.958 -7.032 334 H GLU 42 H GLU 42 3.729 5.728 -4.710 335 HA GLU 42 HA GLU 42 5.454 3.491 -4.807 336 HB2 GLU 42 2HB GLU 42 5.366 6.061 -3.340 337 HB3 GLU 42 1HB GLU 42 6.324 4.780 -2.611 338 HG2 GLU 42 2HG GLU 42 7.231 4.616 -5.116 339 HG3 GLU 42 1HG GLU 42 6.781 6.321 -5.084 340 H VAL 43 H VAL 43 3.131 4.642 -2.454 341 HA VAL 43 HA VAL 43 3.627 2.665 -0.499 342 HB VAL 43 HB VAL 43 2.431 4.197 0.608 343 HG11 VAL 43 1HG1 VAL 43 1.011 5.875 -0.459 344 HG12 VAL 43 2HG1 VAL 43 1.139 5.006 -1.987 345 HG13 VAL 43 3HG1 VAL 43 2.571 5.743 -1.268 346 HG21 VAL 43 3HG2 VAL 43 0.864 2.315 0.573 347 HG22 VAL 43 1HG2 VAL 43 0.095 3.019 -0.843 348 HG23 VAL 43 2HG2 VAL 43 0.039 3.872 0.694 349 H VAL 44 H VAL 44 1.298 2.950 -3.119 350 HA VAL 44 HA VAL 44 -0.214 0.656 -2.559 351 HB VAL 44 HB VAL 44 -0.729 0.660 -5.034 352 HG11 VAL 44 1HG1 VAL 44 -1.396 2.564 -3.018 353 HG12 VAL 44 2HG1 VAL 44 -2.397 1.928 -4.321 354 HG13 VAL 44 3HG1 VAL 44 -1.396 3.353 -4.593 355 HG21 VAL 44 3HG2 VAL 44 1.254 2.907 -4.939 356 HG22 VAL 44 1HG2 VAL 44 0.007 2.825 -6.183 357 HG23 VAL 44 2HG2 VAL 44 1.197 1.531 -6.039 358 H PHE 45 H PHE 45 2.822 1.146 -4.209 359 HA PHE 45 HA PHE 45 3.047 -1.491 -5.254 360 HB2 PHE 45 2HB PHE 45 4.551 0.958 -5.331 361 HB3 PHE 45 1HB PHE 45 5.624 -0.382 -4.941 362 HD1 PHE 45 1HD PHE 45 5.261 -2.518 -6.429 363 HD2 PHE 45 2HD PHE 45 4.181 1.441 -7.543 364 HE1 PHE 45 1HE PHE 45 5.336 -3.174 -8.804 365 HE2 PHE 45 2HE PHE 45 4.252 0.798 -9.919 366 HZ PHE 45 HZ PHE 45 4.829 -1.512 -10.552 367 H ALA 46 H ALA 46 3.896 0.105 -2.308 368 HA ALA 46 HA ALA 46 5.609 -1.908 -1.283 369 HB1 ALA 46 1HB ALA 46 4.119 0.213 0.240 370 HB2 ALA 46 2HB ALA 46 5.684 0.444 -0.538 371 HB3 ALA 46 3HB ALA 46 5.523 -0.696 0.797 372 H ILE 47 H ILE 47 2.663 -0.843 0.304 373 HA ILE 47 HA ILE 47 2.050 -2.940 1.832 374 HB ILE 47 HB ILE 47 -0.377 -2.530 1.426 375 HG12 ILE 47 2HG1 ILE 47 0.719 -1.280 -0.978 376 HG13 ILE 47 1HG1 ILE 47 -0.918 -1.841 -0.649 377 HG21 ILE 47 1HG2 ILE 47 -0.263 -0.063 2.050 378 HG22 ILE 47 2HG2 ILE 47 1.487 -0.224 1.897 379 HG23 ILE 47 3HG2 ILE 47 0.611 -1.195 3.082 380 HD11 ILE 47 3HD1 ILE 47 0.226 0.845 -0.481 381 HD12 ILE 47 1HD1 ILE 47 -0.817 0.401 0.869 382 HD13 ILE 47 2HD1 ILE 47 -1.432 0.328 -0.782 383 H GLU 48 H GLU 48 1.326 -2.768 -1.640 384 HA GLU 48 HA GLU 48 0.047 -5.219 -1.919 385 HB2 GLU 48 2HB GLU 48 0.153 -4.827 -4.155 386 HB3 GLU 48 1HB GLU 48 0.665 -3.232 -3.622 387 HG2 GLU 48 2HG GLU 48 2.124 -3.959 -5.358 388 HG3 GLU 48 1HG GLU 48 3.017 -3.968 -3.837 389 H GLN 49 H GLN 49 3.455 -4.412 -1.929 390 HA GLN 49 HA GLN 49 4.546 -6.848 -2.686 391 HB2 GLN 49 2HB GLN 49 5.602 -4.482 -1.965 392 HB3 GLN 49 1HB GLN 49 5.905 -5.386 -0.487 393 HG2 GLN 49 2HG GLN 49 7.555 -6.562 -1.412 394 HG3 GLN 49 1HG GLN 49 6.642 -6.848 -2.893 395 HE21 GLN 49 1HE2 GLN 49 6.202 -4.187 -3.635 396 HE22 GLN 49 2HE2 GLN 49 7.714 -3.492 -4.100 397 H GLU 50 H GLU 50 3.499 -5.739 0.507 398 HA GLU 50 HA GLU 50 3.823 -8.467 1.484 399 HB2 GLU 50 2HB GLU 50 5.168 -7.003 2.796 400 HB3 GLU 50 1HB GLU 50 3.862 -5.835 2.941 401 HG2 GLU 50 2HG GLU 50 4.397 -7.295 4.962 402 HG3 GLU 50 1HG GLU 50 2.707 -7.130 4.487 403 H PHE 51 H PHE 51 1.585 -7.617 -0.064 404 HA PHE 51 HA PHE 51 -0.524 -8.189 1.840 405 HB2 PHE 51 2HB PHE 51 -0.345 -5.792 0.087 406 HB3 PHE 51 1HB PHE 51 -1.928 -6.523 0.323 407 HD1 PHE 51 1HD PHE 51 1.020 -5.535 2.396 408 HD2 PHE 51 2HD PHE 51 -3.215 -5.651 1.994 409 HE1 PHE 51 1HE PHE 51 0.788 -4.335 4.531 410 HE2 PHE 51 2HE PHE 51 -3.456 -4.451 4.128 411 HZ PHE 51 HZ PHE 51 -1.452 -3.790 5.399 412 H ILE 52 H ILE 52 1.018 -9.056 -0.903 413 HA ILE 52 HA ILE 52 0.540 -10.334 -2.720 414 HB ILE 52 HB ILE 52 -1.213 -12.099 -2.358 415 HG12 ILE 52 2HG1 ILE 52 -1.976 -12.325 0.041 416 HG13 ILE 52 1HG1 ILE 52 -1.472 -10.661 0.255 417 HG21 ILE 52 1HG2 ILE 52 0.358 -13.351 -1.389 418 HG22 ILE 52 2HG2 ILE 52 0.399 -12.335 0.053 419 HG23 ILE 52 3HG2 ILE 52 1.327 -11.877 -1.376 420 HD11 ILE 52 3HD1 ILE 52 -3.608 -11.674 -1.592 421 HD12 ILE 52 1HD1 ILE 52 -3.042 -10.005 -1.544 422 HD13 ILE 52 2HD1 ILE 52 -3.827 -10.709 -0.131 423 H LEU 53 H LEU 53 -0.578 -7.775 -2.844 424 HA LEU 53 HA LEU 53 -2.390 -8.062 -4.963 425 HB2 LEU 53 2HB LEU 53 -3.734 -8.539 -2.708 426 HB3 LEU 53 1HB LEU 53 -3.828 -6.788 -2.696 427 HG LEU 53 HG LEU 53 -5.245 -6.705 -4.483 428 HD11 LEU 53 1HD1 LEU 53 -4.102 -9.324 -5.445 429 HD12 LEU 53 2HD1 LEU 53 -3.721 -7.721 -6.073 430 HD13 LEU 53 3HD1 LEU 53 -5.343 -8.382 -6.270 431 HD21 LEU 53 3HD2 LEU 53 -5.780 -9.536 -3.604 432 HD22 LEU 53 1HD2 LEU 53 -6.930 -8.385 -4.282 433 HD23 LEU 53 2HD2 LEU 53 -6.250 -8.111 -2.678 434 H ASP 54 H ASP 54 -2.523 -6.184 -6.113 435 HA ASP 54 HA ASP 54 -0.868 -4.017 -5.245 436 HB2 ASP 54 2HB ASP 54 -2.422 -3.481 -7.639 437 HB3 ASP 54 1HB ASP 54 -0.675 -3.576 -7.436 438 H ILE 55 H ILE 55 -1.475 -1.941 -4.740 439 HA ILE 55 HA ILE 55 -4.324 -1.558 -4.200 440 HB ILE 55 HB ILE 55 -1.898 -0.452 -2.812 441 HG12 ILE 55 2HG1 ILE 55 -3.145 -1.429 -0.819 442 HG13 ILE 55 1HG1 ILE 55 -4.221 -2.193 -1.984 443 HG21 ILE 55 1HG2 ILE 55 -3.491 1.368 -3.113 444 HG22 ILE 55 2HG2 ILE 55 -3.413 0.875 -1.422 445 HG23 ILE 55 3HG2 ILE 55 -4.774 0.371 -2.425 446 HD11 ILE 55 3HD1 ILE 55 -2.694 -3.737 -2.578 447 HD12 ILE 55 1HD1 ILE 55 -2.054 -3.382 -0.974 448 HD13 ILE 55 2HD1 ILE 55 -1.336 -2.626 -2.398 449 HA PRO 56 HA PRO 56 -2.484 2.265 -6.571 450 HB2 PRO 56 2HB PRO 56 -1.338 1.496 -8.887 451 HB3 PRO 56 1HB PRO 56 -0.419 1.636 -7.384 452 HG2 PRO 56 2HG PRO 56 -1.554 -0.808 -8.688 453 HG3 PRO 56 1HG PRO 56 0.037 -0.576 -7.942 454 HD2 PRO 56 2HD PRO 56 -2.033 -1.806 -6.676 455 HD3 PRO 56 1HD PRO 56 -0.773 -0.895 -5.817 456 H ASP 57 H ASP 57 -2.735 2.533 -9.323 457 HA ASP 57 HA ASP 57 -4.294 2.790 -10.957 458 HB2 ASP 57 2HB ASP 57 -5.629 0.252 -10.069 459 HB3 ASP 57 1HB ASP 57 -5.421 0.882 -11.700 460 H HIS 58 H HIS 58 -6.899 2.451 -11.259 461 HA HIS 58 HA HIS 58 -8.106 4.422 -9.768 462 HB2 HIS 58 2HB HIS 58 -10.243 2.833 -10.422 463 HB3 HIS 58 1HB HIS 58 -9.494 4.011 -11.495 464 HD1 HIS 58 1HD HIS 58 -9.949 0.367 -10.979 465 HD2 HIS 58 2HD HIS 58 -7.809 2.893 -13.491 466 HE1 HIS 58 1HE HIS 58 -9.137 -1.087 -12.863 467 HE2 HIS 58 2HE HIS 58 -7.771 0.445 -14.325 468 H ASP 59 H ASP 59 -7.312 1.279 -8.775 469 HA ASP 59 HA ASP 59 -9.357 0.799 -6.891 470 HB2 ASP 59 2HB ASP 59 -7.774 -0.929 -7.766 471 HB3 ASP 59 1HB ASP 59 -6.502 -0.194 -6.794 472 H ALA 60 H ALA 60 -6.145 2.279 -6.603 473 HA ALA 60 HA ALA 60 -6.438 2.797 -3.807 474 HB1 ALA 60 1HB ALA 60 -4.361 3.095 -5.814 475 HB2 ALA 60 2HB ALA 60 -4.224 2.793 -4.082 476 HB3 ALA 60 3HB ALA 60 -4.411 4.442 -4.677 477 H GLU 61 H GLU 61 -7.026 4.539 -6.755 478 HA GLU 61 HA GLU 61 -7.359 7.087 -5.486 479 HB2 GLU 61 2HB GLU 61 -7.728 7.953 -7.607 480 HB3 GLU 61 1HB GLU 61 -6.687 6.576 -7.941 481 HG2 GLU 61 2HG GLU 61 -8.785 5.256 -8.401 482 HG3 GLU 61 1HG GLU 61 -9.655 6.788 -8.339 483 H LYS 62 H LYS 62 -9.314 4.335 -5.994 484 HA LYS 62 HA LYS 62 -11.846 5.642 -6.032 485 HB2 LYS 62 2HB LYS 62 -10.908 3.035 -6.433 486 HB3 LYS 62 1HB LYS 62 -11.958 2.934 -5.026 487 HG2 LYS 62 2HG LYS 62 -13.817 3.275 -6.228 488 HG3 LYS 62 1HG LYS 62 -13.053 4.494 -7.251 489 HD2 LYS 62 2HD LYS 62 -11.795 2.515 -8.310 490 HD3 LYS 62 1HD LYS 62 -13.019 1.506 -7.533 491 HE2 LYS 62 2HE LYS 62 -13.671 1.999 -9.813 492 HE3 LYS 62 1HE LYS 62 -14.776 2.782 -8.684 493 HZ1 LYS 62 3HZ LYS 62 -13.000 3.951 -10.621 494 HZ2 LYS 62 1HZ LYS 62 -12.888 4.672 -9.093 495 HZ3 LYS 62 2HZ LYS 62 -14.379 4.601 -9.887 496 H ILE 63 H ILE 63 -9.735 5.896 -3.722 497 HA ILE 63 HA ILE 63 -11.700 5.610 -1.567 498 HB ILE 63 HB ILE 63 -9.593 5.484 -0.066 499 HG12 ILE 63 2HG1 ILE 63 -8.432 4.416 -2.645 500 HG13 ILE 63 1HG1 ILE 63 -8.048 6.002 -1.984 501 HG21 ILE 63 1HG2 ILE 63 -10.297 3.397 0.205 502 HG22 ILE 63 2HG2 ILE 63 -9.608 2.920 -1.346 503 HG23 ILE 63 3HG2 ILE 63 -11.247 3.565 -1.271 504 HD11 ILE 63 3HD1 ILE 63 -6.667 5.157 -0.435 505 HD12 ILE 63 1HD1 ILE 63 -6.619 3.766 -1.518 506 HD13 ILE 63 2HD1 ILE 63 -7.699 3.761 -0.124 507 H GLN 64 H GLN 64 -12.296 7.478 -0.696 508 HA GLN 64 HA GLN 64 -10.726 9.851 -1.198 509 HB2 GLN 64 2HB GLN 64 -13.455 9.589 0.061 510 HB3 GLN 64 1HB GLN 64 -12.683 11.090 -0.433 511 HG2 GLN 64 2HG GLN 64 -14.417 10.243 -2.002 512 HG3 GLN 64 1HG GLN 64 -12.833 10.510 -2.729 513 HE21 GLN 64 1HE2 GLN 64 -11.521 8.687 -3.202 514 HE22 GLN 64 2HE2 GLN 64 -12.231 7.133 -3.458 515 H SER 65 H SER 65 -11.511 7.687 1.362 516 HA SER 65 HA SER 65 -10.163 9.471 3.282 517 HB2 SER 65 2HB SER 65 -11.506 8.579 5.045 518 HB3 SER 65 1HB SER 65 -12.610 8.982 3.730 519 HG SER 65 HG SER 65 -13.002 6.915 3.399 520 H ILE 66 H ILE 66 -8.754 8.488 4.817 521 HA ILE 66 HA ILE 66 -7.130 6.453 3.733 522 HB ILE 66 HB ILE 66 -6.434 6.516 6.395 523 HG12 ILE 66 2HG1 ILE 66 -7.498 9.232 5.586 524 HG13 ILE 66 1HG1 ILE 66 -8.057 8.238 6.927 525 HG21 ILE 66 1HG2 ILE 66 -4.578 6.870 5.226 526 HG22 ILE 66 2HG2 ILE 66 -5.001 8.583 5.230 527 HG23 ILE 66 3HG2 ILE 66 -5.478 7.560 3.873 528 HD11 ILE 66 3HD1 ILE 66 -6.607 9.238 8.252 529 HD12 ILE 66 1HD1 ILE 66 -6.017 10.199 6.898 530 HD13 ILE 66 2HD1 ILE 66 -5.280 8.639 7.258 531 HA PRO 67 HA PRO 67 -9.503 3.951 7.329 532 HB2 PRO 67 2HB PRO 67 -12.166 4.731 6.251 533 HB3 PRO 67 1HB PRO 67 -11.669 4.438 7.921 534 HG2 PRO 67 2HG PRO 67 -12.065 6.918 7.036 535 HG3 PRO 67 1HG PRO 67 -10.739 6.549 8.155 536 HD2 PRO 67 2HD PRO 67 -10.651 7.059 5.213 537 HD3 PRO 67 1HD PRO 67 -9.497 7.529 6.475 538 H ASP 68 H ASP 68 -11.580 4.382 4.462 539 HA ASP 68 HA ASP 68 -11.920 1.661 3.953 540 HB2 ASP 68 2HB ASP 68 -12.637 4.142 2.696 541 HB3 ASP 68 1HB ASP 68 -12.078 3.006 1.471 542 H ALA 69 H ALA 69 -9.239 3.692 3.351 543 HA ALA 69 HA ALA 69 -8.110 2.311 1.153 544 HB1 ALA 69 1HB ALA 69 -7.305 4.474 1.443 545 HB2 ALA 69 2HB ALA 69 -5.971 3.459 1.988 546 HB3 ALA 69 3HB ALA 69 -7.026 4.237 3.168 547 H VAL 70 H VAL 70 -6.561 2.547 4.295 548 HA VAL 70 HA VAL 70 -5.174 0.111 4.022 549 HB VAL 70 HB VAL 70 -4.149 1.649 5.449 550 HG11 VAL 70 1HG1 VAL 70 -5.552 3.248 6.187 551 HG12 VAL 70 2HG1 VAL 70 -5.635 2.239 7.631 552 HG13 VAL 70 3HG1 VAL 70 -6.892 2.121 6.400 553 HG21 VAL 70 3HG2 VAL 70 -5.378 -0.014 7.591 554 HG22 VAL 70 1HG2 VAL 70 -3.686 0.390 7.306 555 HG23 VAL 70 2HG2 VAL 70 -4.485 -0.821 6.302 556 H GLU 71 H GLU 71 -8.368 0.778 4.954 557 HA GLU 71 HA GLU 71 -8.722 -1.476 6.673 558 HB2 GLU 71 2HB GLU 71 -10.658 0.431 5.375 559 HB3 GLU 71 1HB GLU 71 -11.174 -0.903 6.396 560 HG2 GLU 71 2HG GLU 71 -9.119 0.813 7.582 561 HG3 GLU 71 1HG GLU 71 -10.659 1.611 7.264 562 H TYR 72 H TYR 72 -9.409 -0.730 3.287 563 HA TYR 72 HA TYR 72 -10.816 -3.120 2.752 564 HB2 TYR 72 2HB TYR 72 -11.244 -2.075 0.828 565 HB3 TYR 72 1HB TYR 72 -10.183 -0.771 1.350 566 HD1 TYR 72 2HD TYR 72 -10.382 -3.867 -0.637 567 HD2 TYR 72 1HD TYR 72 -7.995 -0.505 0.411 568 HE1 TYR 72 2HE TYR 72 -8.847 -4.388 -2.486 569 HE2 TYR 72 1HE TYR 72 -6.454 -1.015 -1.436 570 HH TYR 72 HH TYR 72 -6.075 -2.298 -3.218 571 H ILE 73 H ILE 73 -7.476 -2.161 2.080 572 HA ILE 73 HA ILE 73 -6.747 -4.664 0.982 573 HB ILE 73 HB ILE 73 -4.357 -3.830 1.530 574 HG12 ILE 73 2HG1 ILE 73 -4.125 -1.477 1.922 575 HG13 ILE 73 1HG1 ILE 73 -5.865 -1.262 1.844 576 HG21 ILE 73 1HG2 ILE 73 -5.364 -1.858 -0.300 577 HG22 ILE 73 2HG2 ILE 73 -6.118 -3.426 -0.585 578 HG23 ILE 73 3HG2 ILE 73 -4.362 -3.274 -0.615 579 HD11 ILE 73 3HD1 ILE 73 -6.191 -1.984 3.948 580 HD12 ILE 73 1HD1 ILE 73 -4.529 -1.427 4.130 581 HD13 ILE 73 2HD1 ILE 73 -4.861 -3.138 3.876 582 H ALA 74 H ALA 74 -6.868 -3.418 4.209 583 HA ALA 74 HA ALA 74 -5.167 -5.287 5.447 584 HB1 ALA 74 1HB ALA 74 -7.460 -3.677 6.540 585 HB2 ALA 74 2HB ALA 74 -5.741 -3.291 6.623 586 HB3 ALA 74 3HB ALA 74 -6.384 -4.658 7.534 587 H GLN 75 H GLN 75 -8.666 -5.215 5.040 588 HA GLN 75 HA GLN 75 -9.016 -7.818 6.163 589 HB2 GLN 75 2HB GLN 75 -10.951 -6.046 4.675 590 HB3 GLN 75 1HB GLN 75 -11.384 -7.532 5.509 591 HG2 GLN 75 2HG GLN 75 -11.103 -6.608 7.596 592 HG3 GLN 75 1HG GLN 75 -10.007 -5.357 7.010 593 HE21 GLN 75 1HE2 GLN 75 -10.808 -3.400 6.693 594 HE22 GLN 75 2HE2 GLN 75 -12.487 -2.996 6.612 595 H ASN 76 H ASN 76 -10.261 -6.703 3.062 596 HA ASN 76 HA ASN 76 -10.646 -8.904 1.683 597 HB2 ASN 76 2HB ASN 76 -9.452 -6.322 0.894 598 HB3 ASN 76 1HB ASN 76 -9.175 -7.645 -0.236 599 HD21 ASN 76 1HD2 ASN 76 -11.104 -5.137 0.323 600 HD22 ASN 76 2HD2 ASN 76 -12.582 -5.705 -0.369 601 HA PRO 77 HA PRO 77 -6.039 -9.877 0.470 602 HB2 PRO 77 2HB PRO 77 -4.625 -7.956 2.248 603 HB3 PRO 77 1HB PRO 77 -4.238 -8.458 0.598 604 HG2 PRO 77 2HG PRO 77 -5.293 -6.061 1.070 605 HG3 PRO 77 1HG PRO 77 -5.782 -7.009 -0.347 606 HD2 PRO 77 2HD PRO 77 -7.235 -6.569 2.230 607 HD3 PRO 77 1HD PRO 77 -7.867 -6.670 0.575 608 H MET 78 H MET 78 -6.697 -8.766 3.783 609 HA MET 78 HA MET 78 -5.016 -10.445 5.197 610 HB2 MET 78 2HB MET 78 -6.033 -9.042 6.660 611 HB3 MET 78 1HB MET 78 -7.545 -9.036 5.763 612 HG2 MET 78 2HG MET 78 -7.824 -11.435 6.666 613 HG3 MET 78 1HG MET 78 -6.588 -10.967 7.832 614 HE1 MET 78 3HE MET 78 -8.529 -11.975 9.158 615 HE2 MET 78 1HE MET 78 -10.153 -11.586 8.593 616 HE3 MET 78 2HE MET 78 -9.554 -10.891 10.099 617 H ALA 79 H ALA 79 -7.733 -11.263 3.300 618 HA ALA 79 HA ALA 79 -7.495 -14.028 4.160 619 HB1 ALA 79 1HB ALA 79 -9.723 -12.406 4.715 620 HB2 ALA 79 2HB ALA 79 -9.556 -14.143 4.969 621 HB3 ALA 79 3HB ALA 79 -10.214 -13.534 3.451 622 H LYS 80 H LYS 80 -6.924 -12.097 1.757 623 HA LYS 80 HA LYS 80 -7.410 -12.096 -0.555 624 HB2 LYS 80 2HB LYS 80 -5.951 -14.650 0.134 625 HB3 LYS 80 1HB LYS 80 -6.105 -14.027 -1.503 626 HG2 LYS 80 2HG LYS 80 -4.051 -13.213 -0.919 627 HG3 LYS 80 1HG LYS 80 -5.083 -11.860 -0.453 628 HD2 LYS 80 2HD LYS 80 -3.835 -12.064 1.451 629 HD3 LYS 80 1HD LYS 80 -5.153 -13.171 1.843 630 HE2 LYS 80 2HE LYS 80 -3.845 -15.017 1.645 631 HE3 LYS 80 1HE LYS 80 -2.845 -14.305 0.378 632 HZ1 LYS 80 3HZ LYS 80 -2.183 -14.589 3.028 633 HZ2 LYS 80 1HZ LYS 80 -2.510 -12.938 2.851 634 HZ3 LYS 80 2HZ LYS 80 -1.348 -13.680 1.872 635 H282 PNS 101 8H2 PNS 101 4.020 12.987 -8.535 636 H281 PNS 101 9H2 PNS 101 3.853 14.658 -9.080 637 H303 PNS 101 0H3 PNS 101 6.638 15.463 -8.956 638 H302 PNS 101 1H3 PNS 101 7.286 13.953 -8.316 639 H301 PNS 101 2H3 PNS 101 5.742 14.569 -7.727 640 H313 PNS 101 3H3 PNS 101 7.117 12.247 -9.158 641 H312 PNS 101 4H3 PNS 101 6.418 12.052 -10.766 642 H311 PNS 101 5H3 PNS 101 5.477 11.621 -9.337 643 H32 PNS 101 6H3 PNS 101 4.952 14.123 -11.489 644 H33 PNS 101 7H3 PNS 101 4.753 16.013 -11.069 645 H36 PNS 101 8H3 PNS 101 8.056 13.057 -10.635 646 H372 PNS 101 9H3 PNS 101 9.316 13.971 -13.018 647 H371 PNS 101 0H4 PNS 101 10.085 13.691 -11.457 648 H382 PNS 101 1H4 PNS 101 8.737 15.925 -10.875 649 H381 PNS 101 2H4 PNS 101 10.371 15.930 -11.538 650 H41 PNS 101 3H4 PNS 101 7.015 15.738 -13.179 651 H422 PNS 101 4H4 PNS 101 7.124 18.560 -13.074 652 H421 PNS 101 5H4 PNS 101 5.730 17.548 -12.697 653 H431 PNS 101 7H4 PNS 101 6.002 18.301 -10.598 654 H432 PNS 101 6H4 PNS 101 7.339 17.144 -10.518 655 H44 PNS 101 8H4 PNS 101 8.864 19.244 -11.363 Start of MODEL 7 1 H1 MET 1 1HT MET 1 -4.954 -8.845 8.138 2 H2 MET 1 2HT MET 1 -4.465 -9.823 9.461 3 H3 MET 1 3HT MET 1 -3.553 -8.433 9.036 4 HA MET 1 HA MET 1 -6.222 -7.724 9.464 5 HB2 MET 1 2HB MET 1 -5.971 -8.245 12.020 6 HB3 MET 1 1HB MET 1 -6.606 -9.471 10.932 7 HG2 MET 1 2HG MET 1 -3.734 -9.627 11.100 8 HG3 MET 1 1HG MET 1 -4.473 -9.719 12.697 9 HE1 MET 1 2HE MET 1 -5.941 -12.137 9.195 10 HE2 MET 1 3HE MET 1 -6.115 -10.417 9.544 11 HE3 MET 1 1HE MET 1 -7.207 -11.584 10.290 12 H ASN 2 H ASN 2 -4.377 -7.568 12.290 13 HA ASN 2 HA ASN 2 -3.955 -4.773 12.011 14 HB2 ASN 2 2HB ASN 2 -2.436 -5.460 14.172 15 HB3 ASN 2 1HB ASN 2 -4.160 -5.105 14.231 16 HD21 ASN 2 1HD2 ASN 2 -2.116 -7.862 13.312 17 HD22 ASN 2 2HD2 ASN 2 -3.003 -9.036 14.217 18 H ASP 3 H ASP 3 -1.981 -7.601 11.587 19 HA ASP 3 HA ASP 3 0.563 -6.564 11.731 20 HB2 ASP 3 2HB ASP 3 1.266 -8.506 10.758 21 HB3 ASP 3 1HB ASP 3 -0.392 -8.981 11.118 22 H VAL 4 H VAL 4 -1.689 -6.426 9.040 23 HA VAL 4 HA VAL 4 0.085 -5.272 7.172 24 HB VAL 4 HB VAL 4 -2.119 -4.432 6.102 25 HG11 VAL 4 1HG1 VAL 4 -1.533 -6.194 4.867 26 HG12 VAL 4 2HG1 VAL 4 -2.626 -7.144 5.875 27 HG13 VAL 4 3HG1 VAL 4 -0.910 -7.061 6.272 28 HG21 VAL 4 3HG2 VAL 4 -4.127 -5.586 6.856 29 HG22 VAL 4 1HG2 VAL 4 -3.467 -4.568 8.137 30 HG23 VAL 4 2HG2 VAL 4 -3.222 -6.314 8.184 31 H LEU 5 H LEU 5 -2.277 -3.844 9.388 32 HA LEU 5 HA LEU 5 -1.869 -1.177 8.596 33 HB2 LEU 5 2HB LEU 5 -3.438 -2.589 10.516 34 HB3 LEU 5 1HB LEU 5 -2.680 -1.215 11.294 35 HG LEU 5 HG LEU 5 -3.605 0.127 9.261 36 HD11 LEU 5 1HD1 LEU 5 -4.777 -2.507 8.872 37 HD12 LEU 5 2HD1 LEU 5 -4.669 -1.138 7.766 38 HD13 LEU 5 3HD1 LEU 5 -5.980 -1.220 8.943 39 HD21 LEU 5 3HD2 LEU 5 -4.308 0.170 11.716 40 HD22 LEU 5 1HD2 LEU 5 -5.640 -0.878 11.225 41 HD23 LEU 5 2HD2 LEU 5 -5.481 0.733 10.524 42 H THR 6 H THR 6 -0.314 -3.223 10.952 43 HA THR 6 HA THR 6 1.000 -1.277 12.441 44 HB THR 6 HB THR 6 0.958 -4.068 12.350 45 HG1 THR 6 1HG THR 6 2.536 -2.442 14.048 46 HG21 THR 6 3HG2 THR 6 3.473 -4.413 12.836 47 HG22 THR 6 1HG2 THR 6 3.685 -2.999 11.803 48 HG23 THR 6 2HG2 THR 6 2.896 -4.444 11.169 49 H ARG 7 H ARG 7 2.348 -3.197 9.775 50 HA ARG 7 HA ARG 7 4.646 -1.515 9.601 51 HB2 ARG 7 2HB ARG 7 5.362 -2.940 7.780 52 HB3 ARG 7 1HB ARG 7 4.792 -3.921 9.122 53 HG2 ARG 7 2HG ARG 7 3.887 -4.972 7.278 54 HG3 ARG 7 1HG ARG 7 2.555 -3.965 7.851 55 HD2 ARG 7 2HD ARG 7 3.900 -2.291 6.135 56 HD3 ARG 7 1HD ARG 7 4.039 -3.862 5.343 57 HE ARG 7 HE ARG 7 1.796 -2.289 5.271 58 HH11 ARG 7 1HH1 ARG 7 2.585 -5.531 6.251 59 HH12 ARG 7 2HH1 ARG 7 0.989 -6.145 5.975 60 HH21 ARG 7 1HH2 ARG 7 -0.317 -3.079 4.915 61 HH22 ARG 7 2HH2 ARG 7 -0.658 -4.749 5.214 62 H VAL 8 H VAL 8 1.736 -2.036 7.657 63 HA VAL 8 HA VAL 8 2.393 -0.349 5.535 64 HB VAL 8 HB VAL 8 0.268 -1.936 6.045 65 HG11 VAL 8 1HG1 VAL 8 -0.754 -0.359 7.588 66 HG12 VAL 8 2HG1 VAL 8 -1.748 -0.544 6.143 67 HG13 VAL 8 3HG1 VAL 8 -0.740 0.890 6.345 68 HG21 VAL 8 3HG2 VAL 8 -0.778 -0.538 4.039 69 HG22 VAL 8 1HG2 VAL 8 0.626 -1.586 3.830 70 HG23 VAL 8 2HG2 VAL 8 0.845 0.153 4.027 71 H LEU 9 H LEU 9 0.540 0.338 8.492 72 HA LEU 9 HA LEU 9 0.035 3.044 7.994 73 HB2 LEU 9 2HB LEU 9 -0.728 3.161 10.148 74 HB3 LEU 9 1HB LEU 9 -0.767 1.429 9.909 75 HG LEU 9 HG LEU 9 1.634 1.512 10.951 76 HD11 LEU 9 1HD1 LEU 9 1.203 4.173 10.951 77 HD12 LEU 9 2HD1 LEU 9 2.275 3.349 12.083 78 HD13 LEU 9 3HD1 LEU 9 0.628 3.758 12.565 79 HD21 LEU 9 3HD2 LEU 9 0.573 1.392 13.232 80 HD22 LEU 9 1HD2 LEU 9 -0.103 0.314 12.012 81 HD23 LEU 9 2HD2 LEU 9 -0.956 1.795 12.450 82 H GLU 10 H GLU 10 2.776 1.475 9.589 83 HA GLU 10 HA GLU 10 4.129 3.830 10.327 84 HB2 GLU 10 2HB GLU 10 6.112 2.357 10.554 85 HB3 GLU 10 1HB GLU 10 4.686 1.724 11.366 86 HG2 GLU 10 2HG GLU 10 4.320 0.120 9.659 87 HG3 GLU 10 1HG GLU 10 5.527 0.865 8.613 88 H VAL 11 H VAL 11 4.060 1.945 7.406 89 HA VAL 11 HA VAL 11 6.316 2.908 6.120 90 HB VAL 11 HB VAL 11 3.729 2.047 4.949 91 HG11 VAL 11 1HG1 VAL 11 5.654 1.555 3.063 92 HG12 VAL 11 2HG1 VAL 11 6.110 3.135 3.700 93 HG13 VAL 11 3HG1 VAL 11 4.498 2.886 3.031 94 HG21 VAL 11 3HG2 VAL 11 6.104 0.347 4.720 95 HG22 VAL 11 1HG2 VAL 11 4.431 -0.084 5.082 96 HG23 VAL 11 2HG2 VAL 11 5.476 0.547 6.355 97 H VAL 12 H VAL 12 2.996 4.056 5.785 98 HA VAL 12 HA VAL 12 3.660 6.272 4.154 99 HB VAL 12 HB VAL 12 1.419 6.959 4.340 100 HG11 VAL 12 1HG1 VAL 12 0.126 4.748 4.294 101 HG12 VAL 12 2HG1 VAL 12 1.692 3.980 4.556 102 HG13 VAL 12 3HG1 VAL 12 1.423 4.966 3.119 103 HG21 VAL 12 3HG2 VAL 12 -0.092 6.120 6.134 104 HG22 VAL 12 1HG2 VAL 12 1.212 7.149 6.723 105 HG23 VAL 12 2HG2 VAL 12 1.313 5.400 6.918 106 H LYS 13 H LYS 13 2.882 6.024 7.615 107 HA LYS 13 HA LYS 13 3.063 8.701 8.293 108 HB2 LYS 13 2HB LYS 13 3.247 8.011 10.533 109 HB3 LYS 13 1HB LYS 13 2.353 6.720 9.743 110 HG2 LYS 13 2HG LYS 13 4.437 5.421 9.563 111 HG3 LYS 13 1HG LYS 13 5.283 6.704 10.442 112 HD2 LYS 13 2HD LYS 13 2.953 5.089 11.485 113 HD3 LYS 13 1HD LYS 13 4.647 4.852 11.923 114 HE2 LYS 13 2HE LYS 13 3.838 7.606 12.266 115 HE3 LYS 13 1HE LYS 13 2.801 6.515 13.182 116 HZ1 LYS 13 3HZ LYS 13 5.067 7.426 14.141 117 HZ2 LYS 13 1HZ LYS 13 5.684 6.072 13.334 118 HZ3 LYS 13 2HZ LYS 13 4.497 5.880 14.523 119 H ASN 14 H ASN 14 5.661 6.269 8.292 120 HA ASN 14 HA ASN 14 7.641 8.257 8.900 121 HB2 ASN 14 2HB ASN 14 8.119 5.390 8.096 122 HB3 ASN 14 1HB ASN 14 9.215 6.455 8.972 123 HD21 ASN 14 1HD2 ASN 14 7.124 3.960 9.293 124 HD22 ASN 14 2HD2 ASN 14 6.723 4.123 10.964 125 H PHE 15 H PHE 15 6.045 7.441 6.146 126 HA PHE 15 HA PHE 15 8.161 7.373 4.261 127 HB2 PHE 15 2HB PHE 15 5.240 7.389 4.203 128 HB3 PHE 15 1HB PHE 15 5.956 8.288 2.870 129 HD1 PHE 15 2HD PHE 15 8.034 5.662 4.106 130 HD2 PHE 15 1HD PHE 15 4.793 6.511 1.483 131 HE1 PHE 15 2HE PHE 15 8.455 3.553 2.911 132 HE2 PHE 15 1HE PHE 15 5.206 4.403 0.283 133 HZ PHE 15 HZ PHE 15 7.040 2.922 0.996 134 H GLU 16 H GLU 16 6.532 9.870 5.952 135 HA GLU 16 HA GLU 16 7.477 12.036 6.162 136 HB2 GLU 16 2HB GLU 16 8.923 12.934 4.611 137 HB3 GLU 16 1HB GLU 16 9.199 11.218 4.352 138 HG2 GLU 16 2HG GLU 16 8.672 11.456 2.227 139 HG3 GLU 16 1HG GLU 16 7.061 12.003 2.686 140 H LYS 17 H LYS 17 5.176 10.635 4.217 141 HA LYS 17 HA LYS 17 4.063 12.827 2.859 142 HB2 LYS 17 2HB LYS 17 3.016 10.173 3.765 143 HB3 LYS 17 1HB LYS 17 1.900 11.369 3.121 144 HG2 LYS 17 2HG LYS 17 2.445 10.090 1.271 145 HG3 LYS 17 1HG LYS 17 3.511 11.488 1.121 146 HD2 LYS 17 2HD LYS 17 4.423 9.004 2.527 147 HD3 LYS 17 1HD LYS 17 4.494 9.123 0.768 148 HE2 LYS 17 2HE LYS 17 5.559 11.508 1.944 149 HE3 LYS 17 1HE LYS 17 6.348 10.098 2.651 150 HZ1 LYS 17 3HZ LYS 17 7.494 9.785 0.797 151 HZ2 LYS 17 1HZ LYS 17 6.898 11.258 0.215 152 HZ3 LYS 17 2HZ LYS 17 6.101 9.814 -0.162 153 H VAL 18 H VAL 18 3.635 11.619 6.136 154 HA VAL 18 HA VAL 18 2.905 14.059 7.236 155 HB VAL 18 HB VAL 18 0.400 13.148 7.710 156 HG11 VAL 18 1HG1 VAL 18 0.485 15.356 7.167 157 HG12 VAL 18 2HG1 VAL 18 -0.149 14.731 5.644 158 HG13 VAL 18 3HG1 VAL 18 1.570 15.093 5.802 159 HG21 VAL 18 3HG2 VAL 18 -0.613 12.340 5.700 160 HG22 VAL 18 1HG2 VAL 18 0.761 11.298 6.069 161 HG23 VAL 18 2HG2 VAL 18 0.896 12.518 4.804 162 H ASP 19 H ASP 19 2.741 13.951 9.454 163 HA ASP 19 HA ASP 19 3.688 11.608 10.707 164 HB2 ASP 19 2HB ASP 19 3.510 14.270 11.397 165 HB3 ASP 19 1HB ASP 19 2.349 13.512 12.483 166 H ALA 20 H ALA 20 2.665 9.949 11.663 167 HA ALA 20 HA ALA 20 -0.025 9.400 11.135 168 HB1 ALA 20 1HB ALA 20 0.705 7.882 13.385 169 HB2 ALA 20 2HB ALA 20 2.169 8.089 12.423 170 HB3 ALA 20 3HB ALA 20 0.725 7.388 11.692 171 H SER 21 H SER 21 1.369 11.374 13.529 172 HA SER 21 HA SER 21 -0.538 11.084 15.588 173 HB2 SER 21 2HB SER 21 1.449 12.124 16.260 174 HB3 SER 21 1HB SER 21 1.456 13.215 14.875 175 HG SER 21 HG SER 21 0.182 14.548 15.911 176 H LYS 22 H LYS 22 -0.645 12.628 12.543 177 HA LYS 22 HA LYS 22 -2.873 14.336 13.291 178 HB2 LYS 22 2HB LYS 22 -2.655 15.344 11.120 179 HB3 LYS 22 1HB LYS 22 -1.053 15.214 11.834 180 HG2 LYS 22 2HG LYS 22 -1.187 12.886 10.460 181 HG3 LYS 22 1HG LYS 22 -2.164 13.942 9.438 182 HD2 LYS 22 2HD LYS 22 0.723 13.946 9.941 183 HD3 LYS 22 1HD LYS 22 -0.187 14.544 8.552 184 HE2 LYS 22 2HE LYS 22 -0.887 16.478 10.063 185 HE3 LYS 22 1HE LYS 22 0.386 15.933 11.154 186 HZ1 LYS 22 3HZ LYS 22 0.677 17.618 9.010 187 HZ2 LYS 22 1HZ LYS 22 1.330 16.150 8.477 188 HZ3 LYS 22 2HZ LYS 22 1.922 16.878 9.884 189 H VAL 23 H VAL 23 -2.286 11.261 11.987 190 HA VAL 23 HA VAL 23 -4.642 11.075 10.372 191 HB VAL 23 HB VAL 23 -4.052 8.861 9.934 192 HG11 VAL 23 1HG1 VAL 23 -2.342 9.825 8.831 193 HG12 VAL 23 2HG1 VAL 23 -1.358 9.036 10.064 194 HG13 VAL 23 3HG1 VAL 23 -1.803 10.733 10.244 195 HG21 VAL 23 3HG2 VAL 23 -3.063 8.911 12.698 196 HG22 VAL 23 1HG2 VAL 23 -2.097 7.946 11.580 197 HG23 VAL 23 2HG2 VAL 23 -3.815 7.604 11.783 198 H THR 24 H THR 24 -6.644 10.683 11.037 199 HA THR 24 HA THR 24 -7.046 9.588 13.706 200 HB THR 24 HB THR 24 -7.860 12.016 12.893 201 HG1 THR 24 1HG THR 24 -8.227 11.620 14.953 202 HG21 THR 24 3HG2 THR 24 -9.966 10.122 11.995 203 HG22 THR 24 1HG2 THR 24 -9.423 11.635 11.273 204 HG23 THR 24 2HG2 THR 24 -10.438 11.660 12.714 205 HA PRO 25 HA PRO 25 -9.191 6.067 12.188 206 HB2 PRO 25 2HB PRO 25 -11.549 6.158 13.652 207 HB3 PRO 25 1HB PRO 25 -10.026 5.468 14.218 208 HG2 PRO 25 2HG PRO 25 -11.205 8.157 14.756 209 HG3 PRO 25 1HG PRO 25 -10.312 7.083 15.848 210 HD2 PRO 25 2HD PRO 25 -9.152 9.232 14.745 211 HD3 PRO 25 1HD PRO 25 -8.252 7.720 14.989 212 H GLU 26 H GLU 26 -11.125 9.015 12.439 213 HA GLU 26 HA GLU 26 -12.731 8.140 10.163 214 HB2 GLU 26 2HB GLU 26 -13.409 9.442 12.568 215 HB3 GLU 26 1HB GLU 26 -13.615 10.633 11.291 216 HG2 GLU 26 2HG GLU 26 -15.117 8.154 11.837 217 HG3 GLU 26 1HG GLU 26 -15.673 9.710 11.225 218 H SER 27 H SER 27 -9.932 9.493 10.428 219 HA SER 27 HA SER 27 -10.195 12.002 9.130 220 HB2 SER 27 2HB SER 27 -8.163 12.017 10.130 221 HB3 SER 27 1HB SER 27 -7.992 10.265 10.024 222 HG SER 27 HG SER 27 -6.596 11.781 8.667 223 H HIS 28 H HIS 28 -10.232 12.513 7.024 224 HA HIS 28 HA HIS 28 -10.577 10.418 5.105 225 HB2 HIS 28 2HB HIS 28 -10.877 13.379 5.116 226 HB3 HIS 28 1HB HIS 28 -10.638 12.586 3.561 227 HD1 HIS 28 1HD HIS 28 -12.402 10.119 5.234 228 HD2 HIS 28 2HD HIS 28 -13.493 13.860 3.794 229 HE1 HIS 28 1HE HIS 28 -14.902 10.037 4.978 230 HE2 HIS 28 2HE HIS 28 -15.549 12.341 4.190 231 H PHE 29 H PHE 29 -9.305 10.066 3.242 232 HA PHE 29 HA PHE 29 -6.520 10.274 3.657 233 HB2 PHE 29 2HB PHE 29 -7.625 8.451 2.369 234 HB3 PHE 29 1HB PHE 29 -7.959 9.610 1.087 235 HD1 PHE 29 2HD PHE 29 -4.845 10.100 2.798 236 HD2 PHE 29 1HD PHE 29 -6.728 7.974 -0.371 237 HE1 PHE 29 2HE PHE 29 -2.641 9.631 1.809 238 HE2 PHE 29 1HE PHE 29 -4.528 7.500 -1.366 239 HZ PHE 29 HZ PHE 29 -2.482 8.330 -0.277 240 H VAL 30 H VAL 30 -7.828 11.215 0.568 241 HA VAL 30 HA VAL 30 -5.976 13.245 0.124 242 HB VAL 30 HB VAL 30 -6.984 13.595 -1.885 243 HG11 VAL 30 1HG1 VAL 30 -7.989 11.571 -2.711 244 HG12 VAL 30 2HG1 VAL 30 -8.412 11.067 -1.075 245 HG13 VAL 30 3HG1 VAL 30 -6.719 11.151 -1.561 246 HG21 VAL 30 3HG2 VAL 30 -9.678 13.161 -0.600 247 HG22 VAL 30 1HG2 VAL 30 -9.393 13.654 -2.268 248 HG23 VAL 30 2HG2 VAL 30 -8.940 14.725 -0.942 249 H LYS 31 H LYS 31 -9.083 13.315 1.652 250 HA LYS 31 HA LYS 31 -9.432 16.127 1.624 251 HB2 LYS 31 2HB LYS 31 -10.663 14.449 3.759 252 HB3 LYS 31 1HB LYS 31 -11.363 15.764 2.826 253 HG2 LYS 31 2HG LYS 31 -10.836 12.960 1.870 254 HG3 LYS 31 1HG LYS 31 -12.406 13.690 2.208 255 HD2 LYS 31 2HD LYS 31 -10.677 15.103 0.268 256 HD3 LYS 31 1HD LYS 31 -11.347 13.556 -0.252 257 HE2 LYS 31 2HE LYS 31 -13.119 14.798 -0.860 258 HE3 LYS 31 1HE LYS 31 -13.532 14.709 0.851 259 HZ1 LYS 31 3HZ LYS 31 -13.515 16.922 0.774 260 HZ2 LYS 31 1HZ LYS 31 -12.711 16.969 -0.715 261 HZ3 LYS 31 2HZ LYS 31 -11.828 16.817 0.720 262 H ASP 32 H ASP 32 -7.854 13.902 3.828 263 HA ASP 32 HA ASP 32 -7.483 15.932 5.834 264 HB2 ASP 32 2HB ASP 32 -7.897 13.540 6.423 265 HB3 ASP 32 1HB ASP 32 -6.318 13.149 5.749 266 H LEU 33 H LEU 33 -6.051 15.383 2.968 267 HA LEU 33 HA LEU 33 -4.198 16.954 2.502 268 HB2 LEU 33 2HB LEU 33 -3.106 15.533 4.922 269 HB3 LEU 33 1HB LEU 33 -2.080 16.427 3.816 270 HG LEU 33 HG LEU 33 -4.437 17.786 5.063 271 HD11 LEU 33 1HD1 LEU 33 -1.732 17.534 6.367 272 HD12 LEU 33 2HD1 LEU 33 -3.179 16.671 6.886 273 HD13 LEU 33 3HD1 LEU 33 -3.126 18.432 6.969 274 HD21 LEU 33 3HD2 LEU 33 -3.577 19.537 4.010 275 HD22 LEU 33 1HD2 LEU 33 -2.301 18.513 3.353 276 HD23 LEU 33 2HD2 LEU 33 -2.063 19.341 4.891 277 H GLY 34 H GLY 34 -5.270 14.455 1.534 278 HA2 GLY 34 2HA GLY 34 -4.049 12.269 1.002 279 HA3 GLY 34 1HA GLY 34 -4.393 13.305 -0.376 280 H LEU 35 H LEU 35 -2.149 11.361 0.496 281 HA LEU 35 HA LEU 35 0.229 12.870 0.674 282 HB2 LEU 35 2HB LEU 35 -0.146 10.065 -0.373 283 HB3 LEU 35 1HB LEU 35 1.371 10.778 0.137 284 HG LEU 35 HG LEU 35 1.017 10.160 2.245 285 HD11 LEU 35 1HD1 LEU 35 -1.822 11.116 2.257 286 HD12 LEU 35 2HD1 LEU 35 -0.474 12.254 2.282 287 HD13 LEU 35 3HD1 LEU 35 -0.656 11.072 3.580 288 HD21 LEU 35 3HD2 LEU 35 -1.066 8.696 2.666 289 HD22 LEU 35 1HD2 LEU 35 0.153 8.130 1.523 290 HD23 LEU 35 2HD2 LEU 35 -1.338 8.862 0.931 291 H ASN 36 H ASN 36 1.900 13.100 -0.939 292 HA ASN 36 HA ASN 36 0.981 14.178 -3.355 293 HB2 ASN 36 2HB ASN 36 3.522 13.859 -3.982 294 HB3 ASN 36 1HB ASN 36 3.040 15.028 -2.757 295 HD21 ASN 36 1HD2 ASN 36 2.779 11.698 -1.999 296 HD22 ASN 36 2HD2 ASN 36 4.152 11.599 -0.955 297 H SER 37 H SER 37 2.171 13.378 -5.504 298 HA SER 37 HA SER 37 0.889 10.983 -6.239 299 HB2 SER 37 2HB SER 37 2.364 13.059 -7.548 300 HB3 SER 37 1HB SER 37 2.968 11.495 -8.095 301 H LEU 38 H LEU 38 4.317 11.724 -5.859 302 HA LEU 38 HA LEU 38 5.423 9.265 -6.351 303 HB2 LEU 38 2HB LEU 38 7.304 9.943 -4.997 304 HB3 LEU 38 1HB LEU 38 6.717 11.307 -5.930 305 HG LEU 38 HG LEU 38 7.376 11.848 -3.578 306 HD11 LEU 38 1HD1 LEU 38 5.630 13.066 -5.045 307 HD12 LEU 38 2HD1 LEU 38 5.730 13.451 -3.327 308 HD13 LEU 38 3HD1 LEU 38 4.457 12.383 -3.920 309 HD21 LEU 38 3HD2 LEU 38 4.826 10.745 -2.575 310 HD22 LEU 38 1HD2 LEU 38 6.365 10.982 -1.751 311 HD23 LEU 38 2HD2 LEU 38 6.149 9.605 -2.829 312 H ASP 39 H ASP 39 3.500 10.232 -3.676 313 HA ASP 39 HA ASP 39 4.349 8.201 -1.869 314 HB2 ASP 39 2HB ASP 39 3.358 10.054 -0.828 315 HB3 ASP 39 1HB ASP 39 2.005 10.078 -1.954 316 H VAL 40 H VAL 40 0.957 8.428 -2.452 317 HA VAL 40 HA VAL 40 0.115 5.956 -2.278 318 HB VAL 40 HB VAL 40 -0.950 8.170 -3.512 319 HG11 VAL 40 1HG1 VAL 40 0.066 6.926 -5.634 320 HG12 VAL 40 2HG1 VAL 40 -1.459 7.810 -5.698 321 HG13 VAL 40 3HG1 VAL 40 -1.462 6.055 -5.524 322 HG21 VAL 40 3HG2 VAL 40 -1.823 5.779 -2.341 323 HG22 VAL 40 1HG2 VAL 40 -2.681 5.905 -3.876 324 HG23 VAL 40 2HG2 VAL 40 -2.785 7.214 -2.698 325 H VAL 41 H VAL 41 2.054 7.078 -4.982 326 HA VAL 41 HA VAL 41 1.756 4.764 -6.584 327 HB VAL 41 HB VAL 41 3.844 5.574 -7.722 328 HG11 VAL 41 1HG1 VAL 41 2.699 7.873 -8.316 329 HG12 VAL 41 2HG1 VAL 41 1.368 7.185 -7.385 330 HG13 VAL 41 3HG1 VAL 41 1.983 6.339 -8.806 331 HG21 VAL 41 3HG2 VAL 41 5.206 6.922 -6.606 332 HG22 VAL 41 1HG2 VAL 41 4.019 7.121 -5.320 333 HG23 VAL 41 2HG2 VAL 41 3.981 8.185 -6.723 334 H GLU 42 H GLU 42 4.262 5.792 -4.287 335 HA GLU 42 HA GLU 42 5.780 3.402 -4.610 336 HB2 GLU 42 2HB GLU 42 7.380 4.531 -3.524 337 HB3 GLU 42 1HB GLU 42 6.296 5.913 -3.593 338 HG2 GLU 42 2HG GLU 42 7.019 5.703 -1.353 339 HG3 GLU 42 1HG GLU 42 5.342 5.163 -1.407 340 H VAL 43 H VAL 43 3.710 4.711 -2.085 341 HA VAL 43 HA VAL 43 3.912 2.554 -0.305 342 HB VAL 43 HB VAL 43 2.937 4.249 0.823 343 HG11 VAL 43 1HG1 VAL 43 1.375 5.887 -0.175 344 HG12 VAL 43 2HG1 VAL 43 1.493 5.014 -1.703 345 HG13 VAL 43 3HG1 VAL 43 2.919 5.795 -1.020 346 HG21 VAL 43 3HG2 VAL 43 1.337 2.316 0.830 347 HG22 VAL 43 1HG2 VAL 43 0.398 3.213 -0.356 348 HG23 VAL 43 2HG2 VAL 43 0.645 3.884 1.250 349 H VAL 44 H VAL 44 1.735 3.196 -2.978 350 HA VAL 44 HA VAL 44 -0.081 1.102 -2.554 351 HB VAL 44 HB VAL 44 -0.513 2.894 -4.171 352 HG11 VAL 44 1HG1 VAL 44 1.814 3.038 -5.032 353 HG12 VAL 44 2HG1 VAL 44 0.590 2.997 -6.301 354 HG13 VAL 44 3HG1 VAL 44 1.529 1.550 -5.934 355 HG21 VAL 44 3HG2 VAL 44 -1.277 1.408 -6.081 356 HG22 VAL 44 1HG2 VAL 44 -1.855 0.979 -4.471 357 HG23 VAL 44 2HG2 VAL 44 -0.533 0.071 -5.204 358 H PHE 45 H PHE 45 2.888 1.230 -4.508 359 HA PHE 45 HA PHE 45 2.782 -1.423 -5.428 360 HB2 PHE 45 2HB PHE 45 5.186 0.355 -4.958 361 HB3 PHE 45 1HB PHE 45 5.208 -1.148 -5.876 362 HD1 PHE 45 1HD PHE 45 2.458 -0.678 -7.188 363 HD2 PHE 45 2HD PHE 45 5.922 1.752 -6.742 364 HE1 PHE 45 1HE PHE 45 1.849 0.557 -9.227 365 HE2 PHE 45 2HE PHE 45 5.319 2.993 -8.780 366 HZ PHE 45 HZ PHE 45 3.279 2.395 -10.025 367 H ALA 46 H ALA 46 3.610 -0.055 -2.396 368 HA ALA 46 HA ALA 46 5.220 -2.161 -1.397 369 HB1 ALA 46 1HB ALA 46 3.668 0.018 -0.030 370 HB2 ALA 46 2HB ALA 46 5.403 -0.047 -0.339 371 HB3 ALA 46 3HB ALA 46 4.675 -1.143 0.836 372 H ILE 47 H ILE 47 2.074 -1.212 -0.131 373 HA ILE 47 HA ILE 47 1.377 -3.476 1.186 374 HB ILE 47 HB ILE 47 -1.055 -2.856 0.155 375 HG12 ILE 47 2HG1 ILE 47 0.644 -0.955 -1.002 376 HG13 ILE 47 1HG1 ILE 47 -1.115 -0.904 -0.941 377 HG21 ILE 47 1HG2 ILE 47 0.122 -1.025 2.194 378 HG22 ILE 47 2HG2 ILE 47 -0.002 -2.750 2.538 379 HG23 ILE 47 3HG2 ILE 47 -1.453 -1.819 2.171 380 HD11 ILE 47 3HD1 ILE 47 -1.141 0.699 0.632 381 HD12 ILE 47 1HD1 ILE 47 0.474 1.036 0.009 382 HD13 ILE 47 2HD1 ILE 47 0.276 0.061 1.465 383 H GLU 48 H GLU 48 0.923 -2.889 -2.288 384 HA GLU 48 HA GLU 48 -0.468 -5.207 -2.923 385 HB2 GLU 48 2HB GLU 48 -0.046 -3.320 -4.488 386 HB3 GLU 48 1HB GLU 48 1.626 -3.846 -4.625 387 HG2 GLU 48 2HG GLU 48 -0.481 -5.842 -5.208 388 HG3 GLU 48 1HG GLU 48 -0.243 -4.540 -6.372 389 H GLN 49 H GLN 49 2.934 -4.669 -2.398 390 HA GLN 49 HA GLN 49 3.903 -7.133 -3.346 391 HB2 GLN 49 2HB GLN 49 5.207 -5.006 -2.700 392 HB3 GLN 49 1HB GLN 49 5.139 -5.625 -1.056 393 HG2 GLN 49 2HG GLN 49 6.908 -6.882 -1.459 394 HG3 GLN 49 1HG GLN 49 6.019 -7.734 -2.720 395 HE21 GLN 49 1HE2 GLN 49 6.815 -4.330 -2.802 396 HE22 GLN 49 2HE2 GLN 49 7.929 -4.424 -4.119 397 H GLU 50 H GLU 50 3.049 -6.095 -0.042 398 HA GLU 50 HA GLU 50 3.131 -8.875 0.795 399 HB2 GLU 50 2HB GLU 50 3.524 -6.291 2.150 400 HB3 GLU 50 1HB GLU 50 2.660 -7.503 3.086 401 HG2 GLU 50 2HG GLU 50 5.480 -7.392 2.274 402 HG3 GLU 50 1HG GLU 50 4.736 -8.077 3.718 403 H PHE 51 H PHE 51 0.967 -7.945 -0.824 404 HA PHE 51 HA PHE 51 -1.219 -8.504 0.999 405 HB2 PHE 51 2HB PHE 51 -1.000 -6.177 -0.855 406 HB3 PHE 51 1HB PHE 51 -2.584 -6.865 -0.523 407 HD1 PHE 51 1HD PHE 51 0.455 -5.838 1.394 408 HD2 PHE 51 2HD PHE 51 -3.793 -5.861 1.131 409 HE1 PHE 51 1HE PHE 51 0.327 -4.511 3.451 410 HE2 PHE 51 2HE PHE 51 -3.929 -4.533 3.198 411 HZ PHE 51 HZ PHE 51 -1.868 -3.855 4.360 412 H ILE 52 H ILE 52 0.293 -9.032 -1.998 413 HA ILE 52 HA ILE 52 -0.074 -10.495 -3.688 414 HB ILE 52 HB ILE 52 -0.936 -12.445 -3.074 415 HG12 ILE 52 2HG1 ILE 52 -3.141 -12.180 -3.767 416 HG13 ILE 52 1HG1 ILE 52 -3.318 -12.556 -2.068 417 HG21 ILE 52 1HG2 ILE 52 -1.070 -12.818 -0.795 418 HG22 ILE 52 2HG2 ILE 52 -1.872 -11.279 -0.486 419 HG23 ILE 52 3HG2 ILE 52 -0.155 -11.314 -0.886 420 HD11 ILE 52 3HD1 ILE 52 -3.134 -9.713 -2.498 421 HD12 ILE 52 1HD1 ILE 52 -4.359 -10.656 -1.652 422 HD13 ILE 52 2HD1 ILE 52 -4.458 -10.444 -3.400 423 H LEU 53 H LEU 53 -1.509 -7.894 -3.474 424 HA LEU 53 HA LEU 53 -3.063 -8.152 -5.836 425 HB2 LEU 53 2HB LEU 53 -4.737 -8.933 -4.263 426 HB3 LEU 53 1HB LEU 53 -4.495 -7.515 -3.260 427 HG LEU 53 HG LEU 53 -6.552 -7.626 -4.838 428 HD11 LEU 53 1HD1 LEU 53 -6.392 -5.632 -3.754 429 HD12 LEU 53 2HD1 LEU 53 -6.057 -5.087 -5.397 430 HD13 LEU 53 3HD1 LEU 53 -4.728 -5.355 -4.270 431 HD21 LEU 53 3HD2 LEU 53 -4.633 -7.997 -6.747 432 HD22 LEU 53 1HD2 LEU 53 -4.964 -6.269 -6.884 433 HD23 LEU 53 2HD2 LEU 53 -6.277 -7.435 -7.051 434 H ASP 54 H ASP 54 -3.088 -6.271 -6.936 435 HA ASP 54 HA ASP 54 -1.780 -4.005 -5.729 436 HB2 ASP 54 2HB ASP 54 -1.328 -3.255 -7.875 437 HB3 ASP 54 1HB ASP 54 -1.372 -5.000 -8.110 438 H ILE 55 H ILE 55 -2.645 -1.907 -5.638 439 HA ILE 55 HA ILE 55 -5.476 -1.592 -6.224 440 HB ILE 55 HB ILE 55 -4.956 -2.264 -3.743 441 HG12 ILE 55 2HG1 ILE 55 -7.081 -1.184 -4.962 442 HG13 ILE 55 1HG1 ILE 55 -7.029 -1.461 -3.224 443 HG21 ILE 55 1HG2 ILE 55 -4.599 0.707 -3.502 444 HG22 ILE 55 2HG2 ILE 55 -3.225 -0.394 -3.619 445 HG23 ILE 55 3HG2 ILE 55 -4.359 -0.537 -2.275 446 HD11 ILE 55 3HD1 ILE 55 -7.890 0.727 -3.639 447 HD12 ILE 55 1HD1 ILE 55 -6.511 1.126 -4.663 448 HD13 ILE 55 2HD1 ILE 55 -6.282 0.883 -2.931 449 HA PRO 56 HA PRO 56 -2.663 2.229 -6.716 450 HB2 PRO 56 2HB PRO 56 -1.630 1.933 -9.184 451 HB3 PRO 56 1HB PRO 56 -0.843 1.265 -7.750 452 HG2 PRO 56 2HG PRO 56 -2.517 -0.108 -9.806 453 HG3 PRO 56 1HG PRO 56 -1.053 -0.677 -8.987 454 HD2 PRO 56 2HD PRO 56 -3.614 -1.417 -8.292 455 HD3 PRO 56 1HD PRO 56 -2.222 -1.460 -7.193 456 H ASP 57 H ASP 57 -3.760 0.955 -9.849 457 HA ASP 57 HA ASP 57 -4.772 3.241 -10.920 458 HB2 ASP 57 2HB ASP 57 -6.584 1.313 -11.784 459 HB3 ASP 57 1HB ASP 57 -5.054 1.729 -12.549 460 H HIS 58 H HIS 58 -7.475 2.795 -11.535 461 HA HIS 58 HA HIS 58 -8.891 4.350 -9.908 462 HB2 HIS 58 2HB HIS 58 -10.241 1.824 -10.790 463 HB3 HIS 58 1HB HIS 58 -10.852 3.475 -10.804 464 HD1 HIS 58 1HD HIS 58 -10.553 1.277 -13.228 465 HD2 HIS 58 2HD HIS 58 -8.400 4.779 -12.623 466 HE1 HIS 58 1HE HIS 58 -9.671 1.924 -15.493 467 HE2 HIS 58 2HE HIS 58 -8.440 4.089 -15.116 468 H ASP 59 H ASP 59 -7.761 1.205 -9.053 469 HA ASP 59 HA ASP 59 -9.545 0.541 -7.005 470 HB2 ASP 59 2HB ASP 59 -7.217 -0.550 -8.078 471 HB3 ASP 59 1HB ASP 59 -6.806 -0.229 -6.397 472 H ALA 60 H ALA 60 -6.534 2.428 -6.900 473 HA ALA 60 HA ALA 60 -6.911 2.991 -4.090 474 HB1 ALA 60 1HB ALA 60 -4.726 3.336 -6.041 475 HB2 ALA 60 2HB ALA 60 -4.676 2.800 -4.362 476 HB3 ALA 60 3HB ALA 60 -4.807 4.518 -4.735 477 H GLU 61 H GLU 61 -7.587 4.449 -7.123 478 HA GLU 61 HA GLU 61 -7.745 7.142 -6.173 479 HB2 GLU 61 2HB GLU 61 -8.268 5.728 -8.719 480 HB3 GLU 61 1HB GLU 61 -9.178 7.209 -8.455 481 HG2 GLU 61 2HG GLU 61 -6.794 8.144 -7.821 482 HG3 GLU 61 1HG GLU 61 -6.265 6.811 -8.847 483 H LYS 62 H LYS 62 -9.915 4.441 -6.395 484 HA LYS 62 HA LYS 62 -12.328 5.926 -6.145 485 HB2 LYS 62 2HB LYS 62 -11.598 3.031 -5.884 486 HB3 LYS 62 1HB LYS 62 -13.194 3.585 -5.394 487 HG2 LYS 62 2HG LYS 62 -12.235 4.400 -8.076 488 HG3 LYS 62 1HG LYS 62 -12.677 2.707 -7.842 489 HD2 LYS 62 2HD LYS 62 -14.669 3.692 -8.541 490 HD3 LYS 62 1HD LYS 62 -14.833 3.644 -6.783 491 HE2 LYS 62 2HE LYS 62 -15.547 5.798 -7.516 492 HE3 LYS 62 1HE LYS 62 -13.985 5.995 -6.723 493 HZ1 LYS 62 3HZ LYS 62 -14.611 6.108 -9.607 494 HZ2 LYS 62 1HZ LYS 62 -13.034 5.818 -9.067 495 HZ3 LYS 62 2HZ LYS 62 -13.820 7.257 -8.651 496 H ILE 63 H ILE 63 -9.867 5.478 -4.002 497 HA ILE 63 HA ILE 63 -11.633 5.477 -1.672 498 HB ILE 63 HB ILE 63 -9.493 3.905 -2.047 499 HG12 ILE 63 2HG1 ILE 63 -9.488 4.514 0.727 500 HG13 ILE 63 1HG1 ILE 63 -11.132 4.734 0.137 501 HG21 ILE 63 1HG2 ILE 63 -7.677 4.853 -0.560 502 HG22 ILE 63 2HG2 ILE 63 -8.462 6.419 -0.763 503 HG23 ILE 63 3HG2 ILE 63 -7.822 5.565 -2.168 504 HD11 ILE 63 3HD1 ILE 63 -11.371 2.523 -0.427 505 HD12 ILE 63 1HD1 ILE 63 -10.362 2.421 1.015 506 HD13 ILE 63 2HD1 ILE 63 -9.634 2.265 -0.584 507 H GLN 64 H GLN 64 -11.939 7.313 -0.596 508 HA GLN 64 HA GLN 64 -10.023 9.476 -0.967 509 HB2 GLN 64 2HB GLN 64 -12.931 9.880 -0.325 510 HB3 GLN 64 1HB GLN 64 -11.775 11.070 -0.906 511 HG2 GLN 64 2HG GLN 64 -12.597 10.701 -2.930 512 HG3 GLN 64 1HG GLN 64 -11.770 9.145 -2.881 513 HE21 GLN 64 1HE2 GLN 64 -12.981 7.313 -2.064 514 HE22 GLN 64 2HE2 GLN 64 -14.691 7.256 -2.301 515 H SER 65 H SER 65 -11.288 7.331 1.229 516 HA SER 65 HA SER 65 -10.772 9.129 3.502 517 HB2 SER 65 2HB SER 65 -12.046 6.519 4.036 518 HB3 SER 65 1HB SER 65 -12.438 8.118 4.668 519 HG SER 65 HG SER 65 -13.295 6.869 2.309 520 H ILE 66 H ILE 66 -9.442 8.453 5.194 521 HA ILE 66 HA ILE 66 -7.214 6.890 4.462 522 HB ILE 66 HB ILE 66 -7.926 7.511 7.314 523 HG12 ILE 66 2HG1 ILE 66 -8.037 9.445 5.407 524 HG13 ILE 66 1HG1 ILE 66 -7.565 9.737 7.078 525 HG21 ILE 66 1HG2 ILE 66 -5.318 7.308 5.815 526 HG22 ILE 66 2HG2 ILE 66 -5.962 6.152 6.981 527 HG23 ILE 66 3HG2 ILE 66 -5.477 7.762 7.512 528 HD11 ILE 66 3HD1 ILE 66 -6.041 10.782 5.478 529 HD12 ILE 66 1HD1 ILE 66 -5.668 9.194 4.807 530 HD13 ILE 66 2HD1 ILE 66 -5.229 9.573 6.473 531 HA PRO 67 HA PRO 67 -9.167 3.655 7.592 532 HB2 PRO 67 2HB PRO 67 -11.921 3.729 7.569 533 HB3 PRO 67 1HB PRO 67 -10.912 4.482 8.808 534 HG2 PRO 67 2HG PRO 67 -12.222 5.715 6.422 535 HG3 PRO 67 1HG PRO 67 -12.062 6.353 8.069 536 HD2 PRO 67 2HD PRO 67 -10.488 7.204 6.067 537 HD3 PRO 67 1HD PRO 67 -9.877 7.039 7.726 538 H ASP 68 H ASP 68 -11.889 4.211 5.379 539 HA ASP 68 HA ASP 68 -12.246 1.705 4.439 540 HB2 ASP 68 2HB ASP 68 -12.761 4.386 3.378 541 HB3 ASP 68 1HB ASP 68 -12.593 3.163 2.122 542 H ALA 69 H ALA 69 -9.562 3.751 3.794 543 HA ALA 69 HA ALA 69 -8.618 2.541 1.430 544 HB1 ALA 69 1HB ALA 69 -7.924 4.777 2.376 545 HB2 ALA 69 2HB ALA 69 -6.624 3.760 1.753 546 HB3 ALA 69 3HB ALA 69 -6.896 3.878 3.492 547 H VAL 70 H VAL 70 -7.070 2.361 4.595 548 HA VAL 70 HA VAL 70 -5.634 0.009 3.996 549 HB VAL 70 HB VAL 70 -5.473 1.864 5.982 550 HG11 VAL 70 1HG1 VAL 70 -5.753 0.526 8.105 551 HG12 VAL 70 2HG1 VAL 70 -6.689 -0.626 7.154 552 HG13 VAL 70 3HG1 VAL 70 -7.245 1.040 7.318 553 HG21 VAL 70 3HG2 VAL 70 -3.810 0.190 7.017 554 HG22 VAL 70 1HG2 VAL 70 -3.546 0.715 5.354 555 HG23 VAL 70 2HG2 VAL 70 -4.267 -0.863 5.677 556 H GLU 71 H GLU 71 -8.864 0.524 4.890 557 HA GLU 71 HA GLU 71 -9.357 -1.889 6.289 558 HB2 GLU 71 2HB GLU 71 -11.050 0.201 4.993 559 HB3 GLU 71 1HB GLU 71 -11.789 -1.334 5.426 560 HG2 GLU 71 2HG GLU 71 -10.776 -0.931 7.750 561 HG3 GLU 71 1HG GLU 71 -10.571 0.735 7.210 562 H TYR 72 H TYR 72 -9.697 -0.911 2.900 563 HA TYR 72 HA TYR 72 -10.788 -3.370 2.029 564 HB2 TYR 72 2HB TYR 72 -10.470 -2.556 -0.208 565 HB3 TYR 72 1HB TYR 72 -11.008 -1.213 0.793 566 HD1 TYR 72 2HD TYR 72 -7.888 -2.777 -0.525 567 HD2 TYR 72 1HD TYR 72 -9.840 0.789 0.726 568 HE1 TYR 72 2HE TYR 72 -5.948 -1.460 -1.261 569 HE2 TYR 72 1HE TYR 72 -7.903 2.113 -0.010 570 HH TYR 72 HH TYR 72 -5.484 1.774 -0.406 571 H ILE 73 H ILE 73 -7.527 -2.026 1.911 572 HA ILE 73 HA ILE 73 -6.331 -4.251 0.668 573 HB ILE 73 HB ILE 73 -4.225 -3.303 1.980 574 HG12 ILE 73 2HG1 ILE 73 -6.348 -1.517 2.734 575 HG13 ILE 73 1HG1 ILE 73 -4.668 -1.522 3.246 576 HG21 ILE 73 1HG2 ILE 73 -3.701 -2.724 -0.087 577 HG22 ILE 73 2HG2 ILE 73 -4.805 -1.352 -0.021 578 HG23 ILE 73 3HG2 ILE 73 -5.390 -2.929 -0.550 579 HD11 ILE 73 3HD1 ILE 73 -5.749 0.543 2.025 580 HD12 ILE 73 1HD1 ILE 73 -5.286 -0.374 0.592 581 HD13 ILE 73 2HD1 ILE 73 -4.063 0.089 1.774 582 H ALA 74 H ALA 74 -6.667 -3.342 4.048 583 HA ALA 74 HA ALA 74 -5.191 -5.368 5.229 584 HB1 ALA 74 1HB ALA 74 -7.717 -4.132 6.312 585 HB2 ALA 74 2HB ALA 74 -6.104 -3.430 6.442 586 HB3 ALA 74 3HB ALA 74 -6.469 -4.957 7.245 587 H GLN 75 H GLN 75 -8.499 -5.389 4.082 588 HA GLN 75 HA GLN 75 -9.039 -8.017 5.066 589 HB2 GLN 75 2HB GLN 75 -10.551 -6.220 3.173 590 HB3 GLN 75 1HB GLN 75 -11.133 -7.797 3.692 591 HG2 GLN 75 2HG GLN 75 -11.086 -5.237 5.115 592 HG3 GLN 75 1HG GLN 75 -12.188 -6.604 5.265 593 HE21 GLN 75 1HE2 GLN 75 -10.281 -4.827 7.043 594 HE22 GLN 75 2HE2 GLN 75 -9.636 -5.991 8.143 595 H ASN 76 H ASN 76 -7.593 -6.673 2.277 596 HA ASN 76 HA ASN 76 -8.160 -8.636 0.362 597 HB2 ASN 76 2HB ASN 76 -6.198 -6.486 0.693 598 HB3 ASN 76 1HB ASN 76 -5.580 -7.853 -0.228 599 HD21 ASN 76 1HD2 ASN 76 -7.629 -5.133 -0.215 600 HD22 ASN 76 2HD2 ASN 76 -8.236 -5.289 -1.825 601 HA PRO 77 HA PRO 77 -4.173 -11.009 1.671 602 HB2 PRO 77 2HB PRO 77 -3.212 -9.623 4.079 603 HB3 PRO 77 1HB PRO 77 -2.319 -10.108 2.635 604 HG2 PRO 77 2HG PRO 77 -2.870 -7.529 3.172 605 HG3 PRO 77 1HG PRO 77 -2.811 -8.156 1.514 606 HD2 PRO 77 2HD PRO 77 -5.188 -7.557 3.230 607 HD3 PRO 77 1HD PRO 77 -4.940 -7.256 1.498 608 H MET 78 H MET 78 -6.183 -9.560 4.152 609 HA MET 78 HA MET 78 -5.979 -11.764 5.962 610 HB2 MET 78 2HB MET 78 -6.461 -9.730 7.025 611 HB3 MET 78 1HB MET 78 -7.670 -9.286 5.828 612 HG2 MET 78 2HG MET 78 -8.046 -11.614 7.677 613 HG3 MET 78 1HG MET 78 -8.487 -9.970 8.135 614 HE1 MET 78 3HE MET 78 -9.815 -12.728 7.889 615 HE2 MET 78 1HE MET 78 -10.831 -13.038 6.481 616 HE3 MET 78 2HE MET 78 -11.446 -12.062 7.816 617 H ALA 79 H ALA 79 -7.466 -11.316 3.046 618 HA ALA 79 HA ALA 79 -8.652 -13.053 1.974 619 HB1 ALA 79 1HB ALA 79 -8.570 -14.104 4.450 620 HB2 ALA 79 2HB ALA 79 -9.514 -14.783 3.120 621 HB3 ALA 79 3HB ALA 79 -10.292 -13.741 4.314 622 H LYS 80 H LYS 80 -9.316 -10.811 1.270 623 HA LYS 80 HA LYS 80 -11.082 -9.071 1.776 624 HB2 LYS 80 2HB LYS 80 -11.617 -10.931 -0.547 625 HB3 LYS 80 1HB LYS 80 -12.251 -9.299 -0.382 626 HG2 LYS 80 2HG LYS 80 -10.448 -9.036 -1.809 627 HG3 LYS 80 1HG LYS 80 -9.787 -8.580 -0.237 628 HD2 LYS 80 2HD LYS 80 -8.167 -10.067 -0.604 629 HD3 LYS 80 1HD LYS 80 -9.387 -11.327 -0.393 630 HE2 LYS 80 2HE LYS 80 -9.896 -11.021 -2.867 631 HE3 LYS 80 1HE LYS 80 -8.402 -10.087 -2.949 632 HZ1 LYS 80 3HZ LYS 80 -8.615 -12.788 -3.209 633 HZ2 LYS 80 1HZ LYS 80 -8.062 -12.601 -1.620 634 HZ3 LYS 80 2HZ LYS 80 -7.186 -11.934 -2.904 635 H282 PNS 101 8H2 PNS 101 -2.681 11.093 -7.613 636 H281 PNS 101 9H2 PNS 101 -1.372 12.024 -8.348 637 H303 PNS 101 0H3 PNS 101 -2.459 12.347 -4.306 638 H302 PNS 101 1H3 PNS 101 -0.955 11.476 -4.605 639 H301 PNS 101 2H3 PNS 101 -2.484 10.825 -5.197 640 H313 PNS 101 3H3 PNS 101 -0.025 13.186 -5.268 641 H312 PNS 101 4H3 PNS 101 -0.659 14.304 -6.476 642 H311 PNS 101 5H3 PNS 101 0.233 12.871 -6.984 643 H32 PNS 101 6H3 PNS 101 -3.642 12.729 -6.864 644 H33 PNS 101 7H3 PNS 101 -4.512 13.881 -5.447 645 H36 PNS 101 8H3 PNS 101 -1.892 15.616 -6.508 646 H372 PNS 101 9H3 PNS 101 -1.019 17.064 -8.027 647 H371 PNS 101 0H4 PNS 101 -2.300 16.578 -9.136 648 H382 PNS 101 1H4 PNS 101 0.364 16.073 -9.473 649 H381 PNS 101 2H4 PNS 101 -0.215 14.562 -8.772 650 H41 PNS 101 3H4 PNS 101 -2.915 15.741 -10.789 651 H422 PNS 101 4H4 PNS 101 -0.801 16.919 -12.423 652 H421 PNS 101 5H4 PNS 101 -2.528 17.262 -12.525 653 H431 PNS 101 7H4 PNS 101 -1.625 19.208 -11.596 654 H432 PNS 101 6H4 PNS 101 -2.238 18.323 -10.193 655 H44 PNS 101 8H4 PNS 101 0.044 18.315 -9.297 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -6.698 -6.449 9.046 2 H2 MET 1 2HT MET 1 -7.147 -8.104 8.963 3 H3 MET 1 3HT MET 1 -6.544 -7.304 7.568 4 HA MET 1 HA MET 1 -5.170 -8.497 9.769 5 HB2 MET 1 2HB MET 1 -5.201 -8.611 7.014 6 HB3 MET 1 1HB MET 1 -3.742 -7.684 7.342 7 HG2 MET 1 2HG MET 1 -2.692 -9.431 8.370 8 HG3 MET 1 1HG MET 1 -4.202 -10.185 8.876 9 HE1 MET 1 2HE MET 1 -1.551 -11.256 5.558 10 HE2 MET 1 3HE MET 1 -1.638 -12.026 7.141 11 HE3 MET 1 1HE MET 1 -1.316 -10.296 7.019 12 H ASN 2 H ASN 2 -3.453 -7.674 10.883 13 HA ASN 2 HA ASN 2 -3.300 -4.854 11.180 14 HB2 ASN 2 2HB ASN 2 -1.547 -7.044 12.299 15 HB3 ASN 2 1HB ASN 2 -1.472 -5.353 12.786 16 HD21 ASN 2 1HD2 ASN 2 -2.541 -8.227 13.744 17 HD22 ASN 2 2HD2 ASN 2 -3.923 -7.765 14.672 18 H ASP 3 H ASP 3 -1.455 -7.236 9.463 19 HA ASP 3 HA ASP 3 0.931 -5.944 9.024 20 HB2 ASP 3 2HB ASP 3 -0.535 -8.106 7.794 21 HB3 ASP 3 1HB ASP 3 0.331 -7.168 6.580 22 H VAL 4 H VAL 4 -2.171 -5.262 7.595 23 HA VAL 4 HA VAL 4 -1.197 -3.706 5.429 24 HB VAL 4 HB VAL 4 -3.493 -2.899 5.180 25 HG11 VAL 4 1HG1 VAL 4 -2.885 -5.052 4.232 26 HG12 VAL 4 2HG1 VAL 4 -4.559 -5.071 4.788 27 HG13 VAL 4 3HG1 VAL 4 -3.302 -5.856 5.745 28 HG21 VAL 4 3HG2 VAL 4 -5.128 -4.154 6.850 29 HG22 VAL 4 1HG2 VAL 4 -4.461 -2.562 7.212 30 HG23 VAL 4 2HG2 VAL 4 -3.736 -4.004 7.923 31 H LEU 5 H LEU 5 -2.777 -2.681 8.480 32 HA LEU 5 HA LEU 5 -2.245 0.053 8.011 33 HB2 LEU 5 2HB LEU 5 -2.918 0.411 10.355 34 HB3 LEU 5 1HB LEU 5 -4.077 -0.511 9.429 35 HG LEU 5 HG LEU 5 -3.754 -1.305 11.761 36 HD11 LEU 5 1HD1 LEU 5 -4.239 -2.701 9.527 37 HD12 LEU 5 2HD1 LEU 5 -4.253 -3.403 11.144 38 HD13 LEU 5 3HD1 LEU 5 -2.823 -3.562 10.125 39 HD21 LEU 5 3HD2 LEU 5 -1.253 -2.688 11.108 40 HD22 LEU 5 1HD2 LEU 5 -1.778 -1.935 12.611 41 HD23 LEU 5 2HD2 LEU 5 -1.099 -0.945 11.321 42 H THR 6 H THR 6 -0.498 -2.451 9.677 43 HA THR 6 HA THR 6 1.317 -0.838 11.075 44 HB THR 6 HB THR 6 1.264 -3.058 11.767 45 HG1 THR 6 1HG THR 6 3.488 -2.118 11.121 46 HG21 THR 6 3HG2 THR 6 2.162 -4.481 9.432 47 HG22 THR 6 1HG2 THR 6 0.627 -3.660 9.143 48 HG23 THR 6 2HG2 THR 6 0.783 -4.793 10.487 49 H ARG 7 H ARG 7 1.794 -2.539 8.005 50 HA ARG 7 HA ARG 7 4.266 -1.219 7.491 51 HB2 ARG 7 2HB ARG 7 3.408 -3.575 6.711 52 HB3 ARG 7 1HB ARG 7 2.742 -2.660 5.365 53 HG2 ARG 7 2HG ARG 7 5.600 -2.258 6.078 54 HG3 ARG 7 1HG ARG 7 5.130 -3.737 5.236 55 HD2 ARG 7 2HD ARG 7 4.227 -2.496 3.409 56 HD3 ARG 7 1HD ARG 7 4.394 -0.975 4.286 57 HE ARG 7 HE ARG 7 6.573 -0.879 3.611 58 HH11 ARG 7 1HH1 ARG 7 5.431 -4.149 3.254 59 HH12 ARG 7 2HH1 ARG 7 6.865 -4.701 2.454 60 HH21 ARG 7 1HH2 ARG 7 8.467 -1.595 2.560 61 HH22 ARG 7 2HH2 ARG 7 8.592 -3.249 2.061 62 H VAL 8 H VAL 8 0.994 -1.030 6.170 63 HA VAL 8 HA VAL 8 1.551 0.891 4.205 64 HB VAL 8 HB VAL 8 -0.600 -0.604 4.669 65 HG11 VAL 8 1HG1 VAL 8 -1.234 0.576 6.709 66 HG12 VAL 8 2HG1 VAL 8 -2.465 0.761 5.462 67 HG13 VAL 8 3HG1 VAL 8 -1.355 2.087 5.806 68 HG21 VAL 8 3HG2 VAL 8 -1.537 1.817 3.421 69 HG22 VAL 8 1HG2 VAL 8 -1.186 0.246 2.700 70 HG23 VAL 8 2HG2 VAL 8 0.102 1.435 2.892 71 H LEU 9 H LEU 9 0.187 1.247 7.467 72 HA LEU 9 HA LEU 9 -0.016 4.062 7.385 73 HB2 LEU 9 2HB LEU 9 -0.804 3.911 9.513 74 HB3 LEU 9 1HB LEU 9 -1.011 2.241 9.032 75 HG LEU 9 HG LEU 9 1.334 1.876 10.064 76 HD11 LEU 9 1HD1 LEU 9 1.425 4.523 10.298 77 HD12 LEU 9 2HD1 LEU 9 2.239 3.444 11.432 78 HD13 LEU 9 3HD1 LEU 9 0.675 4.145 11.850 79 HD21 LEU 9 3HD2 LEU 9 0.277 1.744 12.368 80 HD22 LEU 9 1HD2 LEU 9 -0.530 0.857 11.077 81 HD23 LEU 9 2HD2 LEU 9 -1.181 2.402 11.624 82 H GLU 10 H GLU 10 2.473 1.889 8.671 83 HA GLU 10 HA GLU 10 4.126 3.892 9.751 84 HB2 GLU 10 2HB GLU 10 5.736 2.214 10.068 85 HB3 GLU 10 1HB GLU 10 4.197 1.371 10.178 86 HG2 GLU 10 2HG GLU 10 4.765 0.018 8.526 87 HG3 GLU 10 1HG GLU 10 5.088 1.385 7.459 88 H VAL 11 H VAL 11 3.904 2.452 6.587 89 HA VAL 11 HA VAL 11 6.286 3.406 5.507 90 HB VAL 11 HB VAL 11 3.775 2.381 4.423 91 HG11 VAL 11 1HG1 VAL 11 5.048 2.951 2.101 92 HG12 VAL 11 2HG1 VAL 11 5.363 4.410 3.037 93 HG13 VAL 11 3HG1 VAL 11 3.703 3.884 2.757 94 HG21 VAL 11 3HG2 VAL 11 5.509 1.090 3.038 95 HG22 VAL 11 1HG2 VAL 11 5.408 0.762 4.768 96 HG23 VAL 11 2HG2 VAL 11 6.692 1.796 4.139 97 H VAL 12 H VAL 12 3.031 4.737 5.196 98 HA VAL 12 HA VAL 12 3.826 7.100 3.865 99 HB VAL 12 HB VAL 12 1.543 7.952 4.780 100 HG11 VAL 12 1HG1 VAL 12 0.366 6.369 3.122 101 HG12 VAL 12 2HG1 VAL 12 1.978 5.713 2.835 102 HG13 VAL 12 3HG1 VAL 12 1.649 7.417 2.516 103 HG21 VAL 12 3HG2 VAL 12 0.422 6.652 6.188 104 HG22 VAL 12 1HG2 VAL 12 1.789 5.540 6.221 105 HG23 VAL 12 2HG2 VAL 12 0.494 5.308 5.047 106 H LYS 13 H LYS 13 2.971 6.476 7.263 107 HA LYS 13 HA LYS 13 3.319 9.038 8.260 108 HB2 LYS 13 2HB LYS 13 3.449 8.069 10.414 109 HB3 LYS 13 1HB LYS 13 2.418 6.999 9.475 110 HG2 LYS 13 2HG LYS 13 3.753 5.474 10.518 111 HG3 LYS 13 1HG LYS 13 4.677 5.736 9.030 112 HD2 LYS 13 2HD LYS 13 6.152 5.781 10.962 113 HD3 LYS 13 1HD LYS 13 6.076 7.377 10.213 114 HE2 LYS 13 2HE LYS 13 4.118 7.688 11.978 115 HE3 LYS 13 1HE LYS 13 5.033 6.448 12.834 116 HZ1 LYS 13 3HZ LYS 13 5.908 9.159 12.051 117 HZ2 LYS 13 1HZ LYS 13 7.028 7.950 12.433 118 HZ3 LYS 13 2HZ LYS 13 5.902 8.457 13.589 119 H ASN 14 H ASN 14 5.721 6.469 7.809 120 HA ASN 14 HA ASN 14 7.849 8.139 8.775 121 HB2 ASN 14 2HB ASN 14 7.927 5.405 7.490 122 HB3 ASN 14 1HB ASN 14 9.301 6.217 8.232 123 HD21 ASN 14 1HD2 ASN 14 7.032 3.938 8.719 124 HD22 ASN 14 2HD2 ASN 14 6.949 3.955 10.445 125 H PHE 15 H PHE 15 6.167 8.009 5.959 126 HA PHE 15 HA PHE 15 8.246 8.185 4.039 127 HB2 PHE 15 2HB PHE 15 5.574 7.811 3.860 128 HB3 PHE 15 1HB PHE 15 5.674 9.519 3.447 129 HD1 PHE 15 2HD PHE 15 7.582 6.410 2.647 130 HD2 PHE 15 1HD PHE 15 5.730 9.959 1.210 131 HE1 PHE 15 2HE PHE 15 8.228 5.812 0.348 132 HE2 PHE 15 1HE PHE 15 6.371 9.370 -1.091 133 HZ PHE 15 HZ PHE 15 7.623 7.294 -1.524 134 H GLU 16 H GLU 16 6.767 10.402 6.209 135 HA GLU 16 HA GLU 16 7.935 12.403 6.820 136 HB2 GLU 16 2HB GLU 16 9.244 13.613 5.321 137 HB3 GLU 16 1HB GLU 16 9.506 11.951 4.814 138 HG2 GLU 16 2HG GLU 16 8.857 12.474 2.776 139 HG3 GLU 16 1HG GLU 16 7.273 12.931 3.397 140 H LYS 17 H LYS 17 5.416 11.582 4.788 141 HA LYS 17 HA LYS 17 4.355 14.082 4.074 142 HB2 LYS 17 2HB LYS 17 3.324 11.314 4.288 143 HB3 LYS 17 1HB LYS 17 2.123 12.593 4.288 144 HG2 LYS 17 2HG LYS 17 3.831 11.595 2.120 145 HG3 LYS 17 1HG LYS 17 2.220 12.313 2.064 146 HD2 LYS 17 2HD LYS 17 4.835 13.771 2.377 147 HD3 LYS 17 1HD LYS 17 3.795 13.767 0.949 148 HE2 LYS 17 2HE LYS 17 2.584 14.594 3.524 149 HE3 LYS 17 1HE LYS 17 3.730 15.710 2.779 150 HZ1 LYS 17 3HZ LYS 17 2.170 15.017 0.698 151 HZ2 LYS 17 1HZ LYS 17 1.952 16.406 1.641 152 HZ3 LYS 17 2HZ LYS 17 1.052 15.011 1.968 153 H VAL 18 H VAL 18 3.681 11.994 6.871 154 HA VAL 18 HA VAL 18 3.342 14.131 8.665 155 HB VAL 18 HB VAL 18 0.867 13.768 9.104 156 HG11 VAL 18 1HG1 VAL 18 0.325 15.591 7.833 157 HG12 VAL 18 2HG1 VAL 18 1.186 14.997 6.413 158 HG13 VAL 18 3HG1 VAL 18 2.084 15.681 7.768 159 HG21 VAL 18 3HG2 VAL 18 -0.425 12.530 7.747 160 HG22 VAL 18 1HG2 VAL 18 1.093 11.763 7.283 161 HG23 VAL 18 2HG2 VAL 18 0.421 13.059 6.294 162 H ASP 19 H ASP 19 2.707 13.420 10.809 163 HA ASP 19 HA ASP 19 3.740 10.875 11.453 164 HB2 ASP 19 2HB ASP 19 2.004 12.091 13.482 165 HB3 ASP 19 1HB ASP 19 3.700 11.628 13.582 166 H ALA 20 H ALA 20 2.783 8.943 11.755 167 HA ALA 20 HA ALA 20 0.235 8.429 10.707 168 HB1 ALA 20 1HB ALA 20 1.148 6.436 12.626 169 HB2 ALA 20 2HB ALA 20 2.388 6.902 11.461 170 HB3 ALA 20 3HB ALA 20 0.835 6.286 10.896 171 H SER 21 H SER 21 1.240 9.414 13.848 172 HA SER 21 HA SER 21 -0.985 8.471 15.317 173 HB2 SER 21 2HB SER 21 1.374 10.059 15.827 174 HB3 SER 21 1HB SER 21 -0.035 10.782 16.602 175 HG SER 21 HG SER 21 0.241 8.032 16.854 176 H LYS 22 H LYS 22 -0.518 11.119 13.190 177 HA LYS 22 HA LYS 22 -2.630 12.760 14.198 178 HB2 LYS 22 2HB LYS 22 -2.278 14.112 12.220 179 HB3 LYS 22 1HB LYS 22 -0.723 13.677 12.916 180 HG2 LYS 22 2HG LYS 22 -0.109 12.958 10.915 181 HG3 LYS 22 1HG LYS 22 -1.294 11.659 11.075 182 HD2 LYS 22 2HD LYS 22 -1.921 12.644 9.080 183 HD3 LYS 22 1HD LYS 22 -2.981 13.451 10.237 184 HE2 LYS 22 2HE LYS 22 -0.725 15.028 10.249 185 HE3 LYS 22 1HE LYS 22 -0.859 14.540 8.560 186 HZ1 LYS 22 3HZ LYS 22 -2.845 15.999 10.200 187 HZ2 LYS 22 1HZ LYS 22 -3.259 15.258 8.736 188 HZ3 LYS 22 2HZ LYS 22 -2.108 16.496 8.761 189 H VAL 23 H VAL 23 -2.498 9.960 12.281 190 HA VAL 23 HA VAL 23 -4.839 10.451 10.717 191 HB VAL 23 HB VAL 23 -3.636 7.755 11.310 192 HG11 VAL 23 1HG1 VAL 23 -4.670 7.029 9.335 193 HG12 VAL 23 2HG1 VAL 23 -4.973 8.677 8.785 194 HG13 VAL 23 3HG1 VAL 23 -5.889 8.019 10.139 195 HG21 VAL 23 3HG2 VAL 23 -1.771 8.942 10.565 196 HG22 VAL 23 1HG2 VAL 23 -2.718 9.903 9.429 197 HG23 VAL 23 2HG2 VAL 23 -2.405 8.199 9.097 198 H THR 24 H THR 24 -6.885 10.250 11.329 199 HA THR 24 HA THR 24 -7.484 8.719 13.734 200 HB THR 24 HB THR 24 -8.053 11.404 13.139 201 HG1 THR 24 1HG THR 24 -8.385 9.629 15.176 202 HG21 THR 24 3HG2 THR 24 -10.356 11.663 13.077 203 HG22 THR 24 1HG2 THR 24 -10.655 9.974 13.483 204 HG23 THR 24 2HG2 THR 24 -10.044 10.401 11.886 205 HA PRO 25 HA PRO 25 -10.310 6.052 11.687 206 HB2 PRO 25 2HB PRO 25 -12.727 6.492 12.951 207 HB3 PRO 25 1HB PRO 25 -11.437 5.461 13.576 208 HG2 PRO 25 2HG PRO 25 -12.115 8.286 14.278 209 HG3 PRO 25 1HG PRO 25 -11.602 6.959 15.336 210 HD2 PRO 25 2HD PRO 25 -9.899 8.891 14.584 211 HD3 PRO 25 1HD PRO 25 -9.366 7.206 14.769 212 H GLU 26 H GLU 26 -11.570 9.323 12.154 213 HA GLU 26 HA GLU 26 -13.094 9.074 9.675 214 HB2 GLU 26 2HB GLU 26 -13.360 10.799 12.095 215 HB3 GLU 26 1HB GLU 26 -13.965 11.404 10.559 216 HG2 GLU 26 2HG GLU 26 -15.098 9.444 12.356 217 HG3 GLU 26 1HG GLU 26 -15.852 10.341 11.038 218 H SER 27 H SER 27 -10.104 9.775 10.336 219 HA SER 27 HA SER 27 -9.761 12.386 9.262 220 HB2 SER 27 2HB SER 27 -8.065 11.662 10.744 221 HB3 SER 27 1HB SER 27 -7.853 10.139 9.879 222 HG SER 27 HG SER 27 -7.439 12.148 8.180 223 H HIS 28 H HIS 28 -9.360 13.028 7.216 224 HA HIS 28 HA HIS 28 -9.854 11.161 5.102 225 HB2 HIS 28 2HB HIS 28 -9.564 14.110 5.329 226 HB3 HIS 28 1HB HIS 28 -9.241 13.386 3.757 227 HD1 HIS 28 1HD HIS 28 -11.683 11.226 4.918 228 HD2 HIS 28 2HD HIS 28 -11.802 15.199 3.706 229 HE1 HIS 28 1HE HIS 28 -14.081 11.670 4.305 230 HE2 HIS 28 2HE HIS 28 -14.112 14.056 3.493 231 H PHE 29 H PHE 29 -8.432 10.645 3.392 232 HA PHE 29 HA PHE 29 -5.745 10.246 4.170 233 HB2 PHE 29 2HB PHE 29 -7.287 8.976 2.432 234 HB3 PHE 29 1HB PHE 29 -6.525 10.087 1.299 235 HD1 PHE 29 2HD PHE 29 -3.972 10.148 1.243 236 HD2 PHE 29 1HD PHE 29 -6.205 7.032 3.091 237 HE1 PHE 29 2HE PHE 29 -2.008 8.670 1.116 238 HE2 PHE 29 1HE PHE 29 -4.246 5.548 2.969 239 HZ PHE 29 HZ PHE 29 -2.144 6.367 1.980 240 H VAL 30 H VAL 30 -6.639 11.760 1.131 241 HA VAL 30 HA VAL 30 -4.307 13.336 1.019 242 HB VAL 30 HB VAL 30 -5.284 14.401 -0.938 243 HG11 VAL 30 1HG1 VAL 30 -4.509 12.525 -1.867 244 HG12 VAL 30 2HG1 VAL 30 -6.190 11.995 -1.911 245 HG13 VAL 30 3HG1 VAL 30 -5.150 11.516 -0.571 246 HG21 VAL 30 3HG2 VAL 30 -7.748 13.680 0.357 247 HG22 VAL 30 1HG2 VAL 30 -7.718 13.062 -1.295 248 HG23 VAL 30 2HG2 VAL 30 -7.474 14.783 -0.991 249 H LYS 31 H LYS 31 -7.506 13.920 2.206 250 HA LYS 31 HA LYS 31 -7.223 16.749 2.414 251 HB2 LYS 31 2HB LYS 31 -9.231 15.283 4.049 252 HB3 LYS 31 1HB LYS 31 -9.399 16.782 3.146 253 HG2 LYS 31 2HG LYS 31 -9.340 13.992 2.023 254 HG3 LYS 31 1HG LYS 31 -10.726 15.082 2.104 255 HD2 LYS 31 2HD LYS 31 -9.476 16.666 0.637 256 HD3 LYS 31 1HD LYS 31 -8.220 15.438 0.463 257 HE2 LYS 31 2HE LYS 31 -11.004 15.478 -0.602 258 HE3 LYS 31 1HE LYS 31 -9.498 15.043 -1.409 259 HZ1 LYS 31 3HZ LYS 31 -9.566 12.931 -0.603 260 HZ2 LYS 31 1HZ LYS 31 -11.229 13.233 -0.678 261 HZ3 LYS 31 2HZ LYS 31 -10.412 13.354 0.799 262 H ASP 32 H ASP 32 -6.558 14.033 4.494 263 HA ASP 32 HA ASP 32 -5.941 15.867 6.670 264 HB2 ASP 32 2HB ASP 32 -7.543 13.672 6.762 265 HB3 ASP 32 1HB ASP 32 -6.006 12.998 7.298 266 H LEU 33 H LEU 33 -4.312 14.671 4.242 267 HA LEU 33 HA LEU 33 -1.822 14.721 5.614 268 HB2 LEU 33 2HB LEU 33 -1.441 12.570 5.992 269 HB3 LEU 33 1HB LEU 33 -3.077 12.218 5.469 270 HG LEU 33 HG LEU 33 -1.854 12.353 3.068 271 HD11 LEU 33 1HD1 LEU 33 0.216 10.862 4.568 272 HD12 LEU 33 2HD1 LEU 33 0.311 12.624 4.597 273 HD13 LEU 33 3HD1 LEU 33 0.334 11.764 3.057 274 HD21 LEU 33 3HD2 LEU 33 -3.174 10.503 3.498 275 HD22 LEU 33 1HD2 LEU 33 -2.301 10.093 4.974 276 HD23 LEU 33 2HD2 LEU 33 -1.562 9.797 3.400 277 H GLY 34 H GLY 34 -3.622 14.034 2.708 278 HA2 GLY 34 2HA GLY 34 -3.190 14.485 0.499 279 HA3 GLY 34 1HA GLY 34 -2.078 15.709 1.084 280 H LEU 35 H LEU 35 -2.415 12.456 -0.056 281 HA LEU 35 HA LEU 35 0.427 11.937 0.137 282 HB2 LEU 35 2HB LEU 35 -0.054 9.715 -0.519 283 HB3 LEU 35 1HB LEU 35 -1.305 10.185 0.615 284 HG LEU 35 HG LEU 35 -2.317 8.940 -1.167 285 HD11 LEU 35 1HD1 LEU 35 -3.987 10.486 -1.917 286 HD12 LEU 35 2HD1 LEU 35 -2.916 11.856 -1.621 287 HD13 LEU 35 3HD1 LEU 35 -3.530 10.909 -0.267 288 HD21 LEU 35 3HD2 LEU 35 -1.620 9.007 -3.276 289 HD22 LEU 35 1HD2 LEU 35 -0.352 10.116 -2.756 290 HD23 LEU 35 2HD2 LEU 35 -1.880 10.749 -3.367 291 H ASN 36 H ASN 36 1.846 12.089 -1.513 292 HA ASN 36 HA ASN 36 0.948 13.295 -3.947 293 HB2 ASN 36 2HB ASN 36 3.073 13.911 -2.687 294 HB3 ASN 36 1HB ASN 36 3.756 12.412 -3.296 295 HD21 ASN 36 1HD2 ASN 36 1.564 14.040 -5.381 296 HD22 ASN 36 2HD2 ASN 36 2.739 14.710 -6.447 297 H SER 37 H SER 37 1.996 12.443 -6.068 298 HA SER 37 HA SER 37 0.953 9.883 -6.582 299 HB2 SER 37 2HB SER 37 1.443 11.883 -8.201 300 HB3 SER 37 1HB SER 37 3.024 11.117 -8.360 301 H LEU 38 H LEU 38 4.314 10.965 -6.715 302 HA LEU 38 HA LEU 38 5.502 8.469 -6.952 303 HB2 LEU 38 2HB LEU 38 7.545 9.508 -6.433 304 HB3 LEU 38 1HB LEU 38 6.577 10.748 -7.207 305 HG LEU 38 HG LEU 38 7.807 11.653 -5.307 306 HD11 LEU 38 1HD1 LEU 38 5.795 12.784 -5.761 307 HD12 LEU 38 2HD1 LEU 38 5.817 12.535 -4.016 308 HD13 LEU 38 3HD1 LEU 38 4.820 11.504 -5.041 309 HD21 LEU 38 3HD2 LEU 38 7.289 9.240 -4.094 310 HD22 LEU 38 1HD2 LEU 38 6.234 10.360 -3.229 311 HD23 LEU 38 2HD2 LEU 38 7.969 10.667 -3.314 312 H ASP 39 H ASP 39 4.268 10.119 -4.165 313 HA ASP 39 HA ASP 39 5.516 8.403 -2.247 314 HB2 ASP 39 2HB ASP 39 5.031 10.470 -1.319 315 HB3 ASP 39 1HB ASP 39 3.474 10.582 -2.135 316 H VAL 40 H VAL 40 2.275 8.714 -3.588 317 HA VAL 40 HA VAL 40 1.158 6.576 -2.111 318 HB VAL 40 HB VAL 40 0.027 8.511 -3.557 319 HG11 VAL 40 1HG1 VAL 40 -0.811 6.401 -5.355 320 HG12 VAL 40 2HG1 VAL 40 0.883 6.841 -5.562 321 HG13 VAL 40 3HG1 VAL 40 -0.373 8.071 -5.701 322 HG21 VAL 40 3HG2 VAL 40 -0.852 5.993 -2.397 323 HG22 VAL 40 1HG2 VAL 40 -1.926 6.575 -3.670 324 HG23 VAL 40 2HG2 VAL 40 -1.568 7.602 -2.283 325 H VAL 41 H VAL 41 2.846 6.765 -5.172 326 HA VAL 41 HA VAL 41 2.120 4.224 -6.161 327 HB VAL 41 HB VAL 41 3.044 5.494 -7.832 328 HG11 VAL 41 1HG1 VAL 41 4.078 7.373 -7.249 329 HG12 VAL 41 2HG1 VAL 41 5.554 6.432 -7.039 330 HG13 VAL 41 3HG1 VAL 41 4.487 6.719 -5.664 331 HG21 VAL 41 3HG2 VAL 41 4.550 4.067 -8.642 332 HG22 VAL 41 1HG2 VAL 41 4.498 3.260 -7.074 333 HG23 VAL 41 2HG2 VAL 41 5.724 4.487 -7.395 334 H GLU 42 H GLU 42 5.025 5.327 -4.425 335 HA GLU 42 HA GLU 42 6.277 2.828 -4.258 336 HB2 GLU 42 2HB GLU 42 7.876 3.920 -3.093 337 HB3 GLU 42 1HB GLU 42 6.981 5.355 -3.578 338 HG2 GLU 42 2HG GLU 42 7.462 5.503 -1.247 339 HG3 GLU 42 1HG GLU 42 5.730 5.241 -1.447 340 H VAL 43 H VAL 43 4.014 4.437 -2.114 341 HA VAL 43 HA VAL 43 4.074 2.541 -0.033 342 HB VAL 43 HB VAL 43 3.096 4.505 0.663 343 HG11 VAL 43 1HG1 VAL 43 2.296 6.004 -0.758 344 HG12 VAL 43 2HG1 VAL 43 0.935 4.956 -1.150 345 HG13 VAL 43 3HG1 VAL 43 2.445 4.813 -2.048 346 HG21 VAL 43 3HG2 VAL 43 1.674 2.406 1.080 347 HG22 VAL 43 1HG2 VAL 43 0.581 3.125 -0.096 348 HG23 VAL 43 2HG2 VAL 43 0.959 3.990 1.388 349 H VAL 44 H VAL 44 1.716 3.038 -2.615 350 HA VAL 44 HA VAL 44 0.093 0.829 -2.090 351 HB VAL 44 HB VAL 44 -0.796 1.066 -4.292 352 HG11 VAL 44 1HG1 VAL 44 -0.379 3.306 -2.593 353 HG12 VAL 44 2HG1 VAL 44 -1.747 2.960 -3.649 354 HG13 VAL 44 3HG1 VAL 44 -0.360 3.856 -4.267 355 HG21 VAL 44 3HG2 VAL 44 1.903 1.760 -4.963 356 HG22 VAL 44 1HG2 VAL 44 0.794 2.989 -5.572 357 HG23 VAL 44 2HG2 VAL 44 0.572 1.299 -6.024 358 H PHE 45 H PHE 45 3.108 1.153 -3.781 359 HA PHE 45 HA PHE 45 3.085 -1.460 -4.936 360 HB2 PHE 45 2HB PHE 45 4.659 0.899 -5.142 361 HB3 PHE 45 1HB PHE 45 5.734 -0.427 -4.712 362 HD1 PHE 45 1HD PHE 45 5.775 -2.458 -6.126 363 HD2 PHE 45 2HD PHE 45 3.778 1.102 -7.310 364 HE1 PHE 45 1HE PHE 45 5.793 -3.236 -8.467 365 HE2 PHE 45 2HE PHE 45 3.788 0.338 -9.652 366 HZ PHE 45 HZ PHE 45 4.796 -1.835 -10.233 367 H ALA 46 H ALA 46 4.074 -0.030 -1.968 368 HA ALA 46 HA ALA 46 5.874 -2.014 -1.083 369 HB1 ALA 46 1HB ALA 46 4.850 -0.964 1.219 370 HB2 ALA 46 2HB ALA 46 4.556 0.327 0.053 371 HB3 ALA 46 3HB ALA 46 6.192 -0.285 0.298 372 H ILE 47 H ILE 47 2.818 -1.344 0.519 373 HA ILE 47 HA ILE 47 2.469 -3.766 1.741 374 HB ILE 47 HB ILE 47 0.094 -3.290 1.900 375 HG12 ILE 47 2HG1 ILE 47 -0.100 -2.547 -0.528 376 HG13 ILE 47 1HG1 ILE 47 -1.023 -1.616 0.645 377 HG21 ILE 47 1HG2 ILE 47 2.084 -1.129 2.305 378 HG22 ILE 47 2HG2 ILE 47 1.115 -2.016 3.482 379 HG23 ILE 47 3HG2 ILE 47 0.380 -0.732 2.523 380 HD11 ILE 47 3HD1 ILE 47 1.319 -0.832 -0.982 381 HD12 ILE 47 1HD1 ILE 47 1.161 -0.125 0.627 382 HD13 ILE 47 2HD1 ILE 47 -0.130 0.079 -0.558 383 H GLU 48 H GLU 48 1.274 -2.841 -1.486 384 HA GLU 48 HA GLU 48 -0.031 -5.214 -2.116 385 HB2 GLU 48 2HB GLU 48 -0.429 -3.519 -3.645 386 HB3 GLU 48 1HB GLU 48 1.265 -3.059 -3.729 387 HG2 GLU 48 2HG GLU 48 0.113 -5.579 -4.902 388 HG3 GLU 48 1HG GLU 48 0.417 -4.093 -5.801 389 H GLN 49 H GLN 49 3.342 -4.351 -2.268 390 HA GLN 49 HA GLN 49 4.351 -6.461 -3.769 391 HB2 GLN 49 2HB GLN 49 5.605 -4.429 -2.919 392 HB3 GLN 49 1HB GLN 49 5.728 -5.251 -1.369 393 HG2 GLN 49 2HG GLN 49 7.316 -6.670 -2.091 394 HG3 GLN 49 1HG GLN 49 6.618 -6.801 -3.705 395 HE21 GLN 49 1HE2 GLN 49 6.548 -4.079 -4.351 396 HE22 GLN 49 2HE2 GLN 49 8.172 -3.523 -4.548 397 H GLU 50 H GLU 50 3.999 -6.259 -0.222 398 HA GLU 50 HA GLU 50 4.292 -9.151 -0.113 399 HB2 GLU 50 2HB GLU 50 5.222 -8.963 1.965 400 HB3 GLU 50 1HB GLU 50 5.677 -7.396 1.308 401 HG2 GLU 50 2HG GLU 50 4.621 -6.390 2.963 402 HG3 GLU 50 1HG GLU 50 3.104 -7.133 2.458 403 H PHE 51 H PHE 51 1.842 -7.944 -0.967 404 HA PHE 51 HA PHE 51 0.089 -8.937 1.128 405 HB2 PHE 51 2HB PHE 51 -0.065 -6.333 -0.311 406 HB3 PHE 51 1HB PHE 51 -1.567 -7.137 0.127 407 HD1 PHE 51 1HD PHE 51 0.529 -8.212 2.569 408 HD2 PHE 51 2HD PHE 51 -1.333 -4.618 1.254 409 HE1 PHE 51 1HE PHE 51 0.701 -7.296 4.844 410 HE2 PHE 51 2HE PHE 51 -1.161 -3.694 3.529 411 HZ PHE 51 HZ PHE 51 -0.143 -5.035 5.327 412 H ILE 52 H ILE 52 1.058 -9.060 -2.087 413 HA ILE 52 HA ILE 52 0.360 -10.291 -3.867 414 HB ILE 52 HB ILE 52 -1.904 -11.588 -2.511 415 HG12 ILE 52 2HG1 ILE 52 0.418 -12.879 -1.498 416 HG13 ILE 52 1HG1 ILE 52 0.519 -11.176 -1.068 417 HG21 ILE 52 1HG2 ILE 52 -1.268 -13.400 -3.731 418 HG22 ILE 52 2HG2 ILE 52 0.452 -13.046 -3.566 419 HG23 ILE 52 3HG2 ILE 52 -0.531 -12.133 -4.712 420 HD11 ILE 52 3HD1 ILE 52 -1.486 -13.216 -0.253 421 HD12 ILE 52 1HD1 ILE 52 -1.941 -11.512 -0.296 422 HD13 ILE 52 2HD1 ILE 52 -0.605 -12.043 0.728 423 H LEU 53 H LEU 53 -0.791 -7.696 -3.347 424 HA LEU 53 HA LEU 53 -2.894 -7.771 -5.253 425 HB2 LEU 53 2HB LEU 53 -4.758 -7.274 -4.004 426 HB3 LEU 53 1HB LEU 53 -3.928 -8.401 -2.948 427 HG LEU 53 HG LEU 53 -2.906 -6.232 -1.895 428 HD11 LEU 53 1HD1 LEU 53 -5.488 -5.138 -2.990 429 HD12 LEU 53 2HD1 LEU 53 -3.900 -4.775 -3.667 430 HD13 LEU 53 3HD1 LEU 53 -4.286 -4.294 -2.014 431 HD21 LEU 53 3HD2 LEU 53 -4.164 -7.517 -0.462 432 HD22 LEU 53 1HD2 LEU 53 -5.595 -7.457 -1.491 433 HD23 LEU 53 2HD2 LEU 53 -5.134 -6.046 -0.538 434 H ASP 54 H ASP 54 -3.019 -5.868 -6.307 435 HA ASP 54 HA ASP 54 -1.251 -3.760 -5.459 436 HB2 ASP 54 2HB ASP 54 -2.910 -3.449 -7.899 437 HB3 ASP 54 1HB ASP 54 -1.209 -3.073 -7.640 438 H ILE 55 H ILE 55 -1.841 -1.672 -4.955 439 HA ILE 55 HA ILE 55 -4.669 -1.298 -4.331 440 HB ILE 55 HB ILE 55 -2.288 -0.754 -2.859 441 HG12 ILE 55 2HG1 ILE 55 -4.658 -1.664 -2.227 442 HG13 ILE 55 1HG1 ILE 55 -3.741 -0.732 -1.048 443 HG21 ILE 55 1HG2 ILE 55 -4.024 1.683 -3.198 444 HG22 ILE 55 2HG2 ILE 55 -2.469 1.466 -4.001 445 HG23 ILE 55 3HG2 ILE 55 -2.550 1.532 -2.240 446 HD11 ILE 55 3HD1 ILE 55 -6.329 -0.234 -2.079 447 HD12 ILE 55 1HD1 ILE 55 -5.273 1.086 -2.580 448 HD13 ILE 55 2HD1 ILE 55 -5.426 0.681 -0.871 449 HA PRO 56 HA PRO 56 -3.072 2.446 -6.990 450 HB2 PRO 56 2HB PRO 56 -1.945 1.597 -9.292 451 HB3 PRO 56 1HB PRO 56 -0.999 1.891 -7.828 452 HG2 PRO 56 2HG PRO 56 -2.001 -0.696 -8.947 453 HG3 PRO 56 1HG PRO 56 -0.418 -0.319 -8.241 454 HD2 PRO 56 2HD PRO 56 -2.401 -1.592 -6.875 455 HD3 PRO 56 1HD PRO 56 -1.183 -0.569 -6.090 456 H ASP 57 H ASP 57 -3.476 2.685 -9.660 457 HA ASP 57 HA ASP 57 -5.132 2.839 -11.213 458 HB2 ASP 57 2HB ASP 57 -6.531 0.479 -11.187 459 HB3 ASP 57 1HB ASP 57 -5.040 0.760 -12.081 460 H HIS 58 H HIS 58 -7.701 1.924 -11.385 461 HA HIS 58 HA HIS 58 -9.226 3.688 -10.027 462 HB2 HIS 58 2HB HIS 58 -10.748 1.273 -10.113 463 HB3 HIS 58 1HB HIS 58 -10.839 2.665 -11.186 464 HD1 HIS 58 1HD HIS 58 -10.673 1.921 -13.527 465 HD2 HIS 58 2HD HIS 58 -8.239 -0.335 -11.026 466 HE1 HIS 58 1HE HIS 58 -9.497 0.284 -15.031 467 HE2 HIS 58 2HE HIS 58 -8.091 -1.124 -13.485 468 H ASP 59 H ASP 59 -7.860 0.758 -8.750 469 HA ASP 59 HA ASP 59 -9.473 0.465 -6.468 470 HB2 ASP 59 2HB ASP 59 -6.552 -0.275 -6.726 471 HB3 ASP 59 1HB ASP 59 -7.724 -0.965 -5.607 472 H ALA 60 H ALA 60 -6.428 2.216 -6.973 473 HA ALA 60 HA ALA 60 -6.407 3.199 -4.269 474 HB1 ALA 60 1HB ALA 60 -4.570 3.215 -6.551 475 HB2 ALA 60 2HB ALA 60 -4.235 3.081 -4.823 476 HB3 ALA 60 3HB ALA 60 -4.512 4.665 -5.547 477 H GLU 61 H GLU 61 -7.531 4.245 -7.352 478 HA GLU 61 HA GLU 61 -7.665 7.029 -6.758 479 HB2 GLU 61 2HB GLU 61 -8.665 5.257 -8.934 480 HB3 GLU 61 1HB GLU 61 -9.409 6.840 -8.752 481 HG2 GLU 61 2HG GLU 61 -7.444 6.601 -10.368 482 HG3 GLU 61 1HG GLU 61 -7.444 7.964 -9.252 483 H LYS 62 H LYS 62 -9.870 4.310 -6.472 484 HA LYS 62 HA LYS 62 -12.157 5.887 -5.829 485 HB2 LYS 62 2HB LYS 62 -11.492 2.983 -5.831 486 HB3 LYS 62 1HB LYS 62 -12.880 3.510 -4.888 487 HG2 LYS 62 2HG LYS 62 -14.127 3.895 -6.708 488 HG3 LYS 62 1HG LYS 62 -12.779 4.585 -7.613 489 HD2 LYS 62 2HD LYS 62 -11.925 2.352 -8.075 490 HD3 LYS 62 1HD LYS 62 -13.229 1.641 -7.122 491 HE2 LYS 62 2HE LYS 62 -13.327 1.945 -9.793 492 HE3 LYS 62 1HE LYS 62 -14.754 1.924 -8.759 493 HZ1 LYS 62 3HZ LYS 62 -14.468 3.823 -10.444 494 HZ2 LYS 62 1HZ LYS 62 -13.368 4.461 -9.329 495 HZ3 LYS 62 2HZ LYS 62 -14.978 4.206 -8.878 496 H ILE 63 H ILE 63 -9.481 5.865 -4.199 497 HA ILE 63 HA ILE 63 -10.677 5.473 -1.559 498 HB ILE 63 HB ILE 63 -8.246 4.592 -2.530 499 HG12 ILE 63 2HG1 ILE 63 -8.204 4.852 0.353 500 HG13 ILE 63 1HG1 ILE 63 -9.806 4.383 -0.209 501 HG21 ILE 63 1HG2 ILE 63 -7.389 6.902 -2.391 502 HG22 ILE 63 2HG2 ILE 63 -6.528 5.789 -1.328 503 HG23 ILE 63 3HG2 ILE 63 -7.725 6.899 -0.661 504 HD11 ILE 63 3HD1 ILE 63 -8.942 2.319 -0.046 505 HD12 ILE 63 1HD1 ILE 63 -7.280 2.883 -0.219 506 HD13 ILE 63 2HD1 ILE 63 -8.298 2.690 -1.645 507 H GLN 64 H GLN 64 -11.246 7.221 -0.445 508 HA GLN 64 HA GLN 64 -9.941 9.753 -1.060 509 HB2 GLN 64 2HB GLN 64 -12.591 9.885 0.202 510 HB3 GLN 64 1HB GLN 64 -11.922 10.843 -1.112 511 HG2 GLN 64 2HG GLN 64 -13.791 9.592 -1.925 512 HG3 GLN 64 1HG GLN 64 -12.315 8.950 -2.645 513 HE21 GLN 64 1HE2 GLN 64 -14.209 8.455 0.320 514 HE22 GLN 64 2HE2 GLN 64 -14.200 6.730 0.240 515 H SER 65 H SER 65 -11.264 7.691 1.448 516 HA SER 65 HA SER 65 -9.934 9.374 3.468 517 HB2 SER 65 2HB SER 65 -12.512 9.010 3.531 518 HB3 SER 65 1HB SER 65 -12.104 7.405 4.138 519 HG SER 65 HG SER 65 -11.930 8.352 5.997 520 H ILE 66 H ILE 66 -8.830 8.317 5.187 521 HA ILE 66 HA ILE 66 -7.177 6.220 4.424 522 HB ILE 66 HB ILE 66 -7.271 6.052 7.208 523 HG12 ILE 66 2HG1 ILE 66 -7.369 8.970 6.462 524 HG13 ILE 66 1HG1 ILE 66 -8.816 8.102 6.958 525 HG21 ILE 66 1HG2 ILE 66 -5.276 6.069 5.808 526 HG22 ILE 66 2HG2 ILE 66 -5.158 7.271 7.094 527 HG23 ILE 66 3HG2 ILE 66 -5.534 7.776 5.446 528 HD11 ILE 66 3HD1 ILE 66 -7.000 7.465 8.920 529 HD12 ILE 66 1HD1 ILE 66 -8.270 8.684 9.027 530 HD13 ILE 66 2HD1 ILE 66 -6.638 9.151 8.551 531 HA PRO 67 HA PRO 67 -10.399 3.566 7.203 532 HB2 PRO 67 2HB PRO 67 -12.681 4.656 5.614 533 HB3 PRO 67 1HB PRO 67 -12.643 4.092 7.288 534 HG2 PRO 67 2HG PRO 67 -12.672 6.697 6.721 535 HG3 PRO 67 1HG PRO 67 -11.716 6.061 8.072 536 HD2 PRO 67 2HD PRO 67 -10.818 7.042 5.413 537 HD3 PRO 67 1HD PRO 67 -9.987 7.091 6.978 538 H ASP 68 H ASP 68 -11.908 4.278 4.061 539 HA ASP 68 HA ASP 68 -12.147 1.656 3.222 540 HB2 ASP 68 2HB ASP 68 -12.385 2.571 0.938 541 HB3 ASP 68 1HB ASP 68 -13.319 3.485 2.119 542 H ALA 69 H ALA 69 -9.326 3.541 3.466 543 HA ALA 69 HA ALA 69 -7.794 2.314 1.420 544 HB1 ALA 69 1HB ALA 69 -5.899 3.423 2.391 545 HB2 ALA 69 2HB ALA 69 -6.791 3.715 3.884 546 HB3 ALA 69 3HB ALA 69 -7.276 4.526 2.395 547 H VAL 70 H VAL 70 -6.729 2.223 4.743 548 HA VAL 70 HA VAL 70 -5.544 -0.316 4.488 549 HB VAL 70 HB VAL 70 -4.627 1.171 6.098 550 HG11 VAL 70 1HG1 VAL 70 -6.090 1.669 8.194 551 HG12 VAL 70 2HG1 VAL 70 -7.435 1.346 7.099 552 HG13 VAL 70 3HG1 VAL 70 -6.290 2.637 6.734 553 HG21 VAL 70 3HG2 VAL 70 -5.724 -1.390 6.951 554 HG22 VAL 70 1HG2 VAL 70 -5.389 -0.297 8.294 555 HG23 VAL 70 2HG2 VAL 70 -4.105 -0.724 7.162 556 H GLU 71 H GLU 71 -8.735 0.659 5.334 557 HA GLU 71 HA GLU 71 -9.496 -1.631 6.809 558 HB2 GLU 71 2HB GLU 71 -11.642 -0.770 6.795 559 HB3 GLU 71 1HB GLU 71 -10.678 0.682 6.566 560 HG2 GLU 71 2HG GLU 71 -11.117 0.635 4.188 561 HG3 GLU 71 1HG GLU 71 -11.998 -0.881 4.357 562 H TYR 72 H TYR 72 -9.583 -0.810 3.378 563 HA TYR 72 HA TYR 72 -11.040 -3.094 2.571 564 HB2 TYR 72 2HB TYR 72 -11.078 -1.989 0.632 565 HB3 TYR 72 1HB TYR 72 -10.004 -0.784 1.333 566 HD1 TYR 72 1HD TYR 72 -7.603 -0.860 0.905 567 HD2 TYR 72 2HD TYR 72 -10.238 -3.690 -0.866 568 HE1 TYR 72 1HE TYR 72 -5.839 -1.496 -0.683 569 HE2 TYR 72 2HE TYR 72 -8.481 -4.336 -2.462 570 HH TYR 72 HH TYR 72 -6.032 -2.670 -3.274 571 H ILE 73 H ILE 73 -7.586 -2.340 2.529 572 HA ILE 73 HA ILE 73 -6.798 -4.862 1.522 573 HB ILE 73 HB ILE 73 -4.545 -4.130 2.733 574 HG12 ILE 73 2HG1 ILE 73 -6.246 -2.037 3.450 575 HG13 ILE 73 1HG1 ILE 73 -4.491 -2.059 3.576 576 HG21 ILE 73 1HG2 ILE 73 -4.555 -2.419 0.557 577 HG22 ILE 73 2HG2 ILE 73 -5.764 -3.638 0.155 578 HG23 ILE 73 3HG2 ILE 73 -4.117 -4.127 0.553 579 HD11 ILE 73 3HD1 ILE 73 -4.227 -0.911 1.549 580 HD12 ILE 73 1HD1 ILE 73 -5.526 -0.081 2.403 581 HD13 ILE 73 2HD1 ILE 73 -5.904 -1.185 1.083 582 H ALA 74 H ALA 74 -7.469 -3.658 4.695 583 HA ALA 74 HA ALA 74 -6.152 -5.638 6.198 584 HB1 ALA 74 1HB ALA 74 -7.048 -3.442 7.050 585 HB2 ALA 74 2HB ALA 74 -7.365 -4.845 8.070 586 HB3 ALA 74 3HB ALA 74 -8.645 -4.192 7.049 587 H GLN 75 H GLN 75 -9.378 -5.449 4.839 588 HA GLN 75 HA GLN 75 -10.232 -7.913 6.003 589 HB2 GLN 75 2HB GLN 75 -11.606 -6.610 3.687 590 HB3 GLN 75 1HB GLN 75 -12.309 -7.527 5.012 591 HG2 GLN 75 2HG GLN 75 -11.714 -4.681 4.805 592 HG3 GLN 75 1HG GLN 75 -12.882 -5.529 5.817 593 HE21 GLN 75 1HE2 GLN 75 -11.400 -3.362 6.715 594 HE22 GLN 75 2HE2 GLN 75 -10.311 -3.900 7.944 595 H ASN 76 H ASN 76 -9.521 -6.848 2.707 596 HA ASN 76 HA ASN 76 -9.900 -9.064 1.232 597 HB2 ASN 76 2HB ASN 76 -7.866 -6.920 1.155 598 HB3 ASN 76 1HB ASN 76 -7.457 -8.376 0.255 599 HD21 ASN 76 1HD2 ASN 76 -9.107 -5.469 0.201 600 HD22 ASN 76 2HD2 ASN 76 -10.043 -5.727 -1.229 601 HA PRO 77 HA PRO 77 -5.708 -11.243 2.196 602 HB2 PRO 77 2HB PRO 77 -4.155 -9.933 4.089 603 HB3 PRO 77 1HB PRO 77 -3.906 -9.863 2.342 604 HG2 PRO 77 2HG PRO 77 -5.294 -7.923 4.140 605 HG3 PRO 77 1HG PRO 77 -4.236 -7.609 2.752 606 HD2 PRO 77 2HD PRO 77 -6.897 -7.376 2.546 607 HD3 PRO 77 1HD PRO 77 -5.925 -8.031 1.211 608 H MET 78 H MET 78 -7.167 -9.389 4.852 609 HA MET 78 HA MET 78 -6.615 -11.062 6.979 610 HB2 MET 78 2HB MET 78 -7.657 -9.112 7.628 611 HB3 MET 78 1HB MET 78 -8.856 -9.198 6.345 612 HG2 MET 78 2HG MET 78 -9.039 -11.365 8.296 613 HG3 MET 78 1HG MET 78 -9.308 -9.758 8.968 614 HE1 MET 78 3HE MET 78 -13.009 -10.224 8.685 615 HE2 MET 78 1HE MET 78 -11.662 -9.432 9.501 616 HE3 MET 78 2HE MET 78 -11.781 -11.192 9.499 617 H ALA 79 H ALA 79 -8.558 -11.707 4.251 618 HA ALA 79 HA ALA 79 -9.311 -14.259 5.391 619 HB1 ALA 79 1HB ALA 79 -11.170 -12.330 5.412 620 HB2 ALA 79 2HB ALA 79 -11.552 -14.040 5.211 621 HB3 ALA 79 3HB ALA 79 -11.441 -12.988 3.799 622 H LYS 80 H LYS 80 -7.574 -12.948 3.185 623 HA LYS 80 HA LYS 80 -7.888 -13.233 0.685 624 HB2 LYS 80 2HB LYS 80 -5.952 -14.830 2.315 625 HB3 LYS 80 1HB LYS 80 -6.002 -15.057 0.573 626 HG2 LYS 80 2HG LYS 80 -5.904 -12.354 0.740 627 HG3 LYS 80 1HG LYS 80 -4.960 -12.824 2.155 628 HD2 LYS 80 2HD LYS 80 -3.305 -12.822 0.582 629 HD3 LYS 80 1HD LYS 80 -3.861 -14.489 0.414 630 HE2 LYS 80 2HE LYS 80 -5.471 -13.517 -1.363 631 HE3 LYS 80 1HE LYS 80 -4.378 -12.134 -1.363 632 HZ1 LYS 80 3HZ LYS 80 -3.888 -13.878 -3.060 633 HZ2 LYS 80 1HZ LYS 80 -3.468 -14.922 -1.796 634 HZ3 LYS 80 2HZ LYS 80 -2.588 -13.501 -2.046 635 H282 PNS 101 8H2 PNS 101 1.046 13.140 -9.595 636 H281 PNS 101 9H2 PNS 101 1.176 13.678 -11.273 637 H303 PNS 101 0H3 PNS 101 3.897 14.731 -8.402 638 H302 PNS 101 1H3 PNS 101 3.037 13.215 -8.123 639 H301 PNS 101 2H3 PNS 101 2.135 14.717 -8.331 640 H313 PNS 101 3H3 PNS 101 4.231 12.236 -9.925 641 H312 PNS 101 4H3 PNS 101 5.043 13.711 -10.451 642 H311 PNS 101 5H3 PNS 101 4.031 12.808 -11.581 643 H32 PNS 101 6H3 PNS 101 3.273 14.909 -11.830 644 H33 PNS 101 7H3 PNS 101 1.725 16.663 -11.464 645 H36 PNS 101 8H3 PNS 101 5.998 15.732 -10.439 646 H372 PNS 101 9H3 PNS 101 5.010 14.091 -12.322 647 H371 PNS 101 0H4 PNS 101 6.446 15.077 -12.590 648 H382 PNS 101 1H4 PNS 101 4.651 15.274 -14.338 649 H381 PNS 101 2H4 PNS 101 3.648 16.051 -13.113 650 H41 PNS 101 3H4 PNS 101 5.369 18.250 -12.051 651 H422 PNS 101 4H4 PNS 101 7.289 16.667 -11.487 652 H421 PNS 101 5H4 PNS 101 7.799 17.007 -13.140 653 H431 PNS 101 7H4 PNS 101 8.918 18.363 -11.304 654 H432 PNS 101 6H4 PNS 101 8.223 19.283 -12.647 655 H44 PNS 101 8H4 PNS 101 6.168 19.823 -11.079 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -3.019 -9.208 8.270 2 H2 MET 1 2HT MET 1 -3.443 -10.658 9.085 3 H3 MET 1 3HT MET 1 -2.126 -9.710 9.645 4 HA MET 1 HA MET 1 -4.931 -8.825 9.559 5 HB2 MET 1 2HB MET 1 -3.237 -9.848 11.848 6 HB3 MET 1 1HB MET 1 -4.849 -9.165 12.007 7 HG2 MET 1 2HG MET 1 -5.556 -11.028 10.374 8 HG3 MET 1 1HG MET 1 -4.018 -11.773 10.808 9 HE1 MET 1 2HE MET 1 -5.110 -14.059 13.147 10 HE2 MET 1 3HE MET 1 -3.844 -12.997 13.763 11 HE3 MET 1 1HE MET 1 -3.903 -13.395 12.045 12 H ASN 2 H ASN 2 -3.045 -8.097 12.263 13 HA ASN 2 HA ASN 2 -3.192 -5.328 11.907 14 HB2 ASN 2 2HB ASN 2 -1.131 -5.602 13.681 15 HB3 ASN 2 1HB ASN 2 -2.840 -5.645 14.111 16 HD21 ASN 2 1HD2 ASN 2 -0.116 -7.678 13.175 17 HD22 ASN 2 2HD2 ASN 2 -0.636 -9.082 14.036 18 H ASP 3 H ASP 3 -0.759 -7.633 10.994 19 HA ASP 3 HA ASP 3 1.459 -6.049 10.642 20 HB2 ASP 3 2HB ASP 3 0.448 -8.515 9.323 21 HB3 ASP 3 1HB ASP 3 1.780 -7.669 8.542 22 H VAL 4 H VAL 4 -1.460 -6.084 8.782 23 HA VAL 4 HA VAL 4 -0.419 -4.795 6.470 24 HB VAL 4 HB VAL 4 -2.763 -4.321 5.888 25 HG11 VAL 4 1HG1 VAL 4 -1.793 -6.479 5.318 26 HG12 VAL 4 2HG1 VAL 4 -3.507 -6.644 5.702 27 HG13 VAL 4 3HG1 VAL 4 -2.289 -7.128 6.882 28 HG21 VAL 4 3HG2 VAL 4 -4.357 -5.633 7.620 29 HG22 VAL 4 1HG2 VAL 4 -4.063 -3.894 7.677 30 HG23 VAL 4 2HG2 VAL 4 -3.155 -4.977 8.732 31 H LEU 5 H LEU 5 -2.346 -3.594 9.216 32 HA LEU 5 HA LEU 5 -2.214 -0.889 8.437 33 HB2 LEU 5 2HB LEU 5 -3.268 -2.425 10.644 34 HB3 LEU 5 1HB LEU 5 -2.588 -0.904 11.187 35 HG LEU 5 HG LEU 5 -4.069 -0.037 9.100 36 HD11 LEU 5 1HD1 LEU 5 -5.027 -2.702 9.727 37 HD12 LEU 5 2HD1 LEU 5 -5.427 -1.645 8.373 38 HD13 LEU 5 3HD1 LEU 5 -6.284 -1.477 9.904 39 HD21 LEU 5 3HD2 LEU 5 -5.791 0.544 10.797 40 HD22 LEU 5 1HD2 LEU 5 -4.143 0.932 11.292 41 HD23 LEU 5 2HD2 LEU 5 -4.947 -0.495 11.946 42 H THR 6 H THR 6 -0.214 -2.904 10.456 43 HA THR 6 HA THR 6 1.297 -0.895 11.699 44 HB THR 6 HB THR 6 2.923 -3.187 11.255 45 HG1 THR 6 1HG THR 6 0.904 -4.133 10.674 46 HG21 THR 6 3HG2 THR 6 1.400 -2.180 13.632 47 HG22 THR 6 1HG2 THR 6 3.120 -2.013 13.274 48 HG23 THR 6 2HG2 THR 6 2.453 -3.596 13.678 49 H ARG 7 H ARG 7 2.172 -2.962 8.975 50 HA ARG 7 HA ARG 7 4.497 -1.458 8.388 51 HB2 ARG 7 2HB ARG 7 3.863 -3.985 7.894 52 HB3 ARG 7 1HB ARG 7 3.312 -3.300 6.370 53 HG2 ARG 7 2HG ARG 7 6.040 -2.624 7.351 54 HG3 ARG 7 1HG ARG 7 5.748 -4.210 6.633 55 HD2 ARG 7 2HD ARG 7 5.210 -3.314 4.563 56 HD3 ARG 7 1HD ARG 7 4.822 -1.734 5.237 57 HE ARG 7 HE ARG 7 6.978 -1.154 4.819 58 HH11 ARG 7 1HH1 ARG 7 6.864 -4.593 5.350 59 HH12 ARG 7 2HH1 ARG 7 8.561 -4.820 5.087 60 HH21 ARG 7 1HH2 ARG 7 9.213 -1.441 4.470 61 HH22 ARG 7 2HH2 ARG 7 9.897 -3.028 4.587 62 H VAL 8 H VAL 8 1.288 -1.753 6.962 63 HA VAL 8 HA VAL 8 1.771 -0.094 4.743 64 HB VAL 8 HB VAL 8 -0.234 -1.715 5.282 65 HG11 VAL 8 1HG1 VAL 8 -2.260 -0.504 5.929 66 HG12 VAL 8 2HG1 VAL 8 -1.304 0.955 6.193 67 HG13 VAL 8 3HG1 VAL 8 -1.047 -0.463 7.209 68 HG21 VAL 8 3HG2 VAL 8 -1.625 0.055 3.759 69 HG22 VAL 8 1HG2 VAL 8 -0.394 -1.049 3.145 70 HG23 VAL 8 2HG2 VAL 8 0.030 0.620 3.526 71 H LEU 9 H LEU 9 0.214 0.553 7.868 72 HA LEU 9 HA LEU 9 -0.193 3.316 7.405 73 HB2 LEU 9 2HB LEU 9 -1.125 3.366 9.483 74 HB3 LEU 9 1HB LEU 9 -1.195 1.641 9.190 75 HG LEU 9 HG LEU 9 1.075 1.551 10.421 76 HD11 LEU 9 1HD1 LEU 9 1.002 4.209 10.337 77 HD12 LEU 9 2HD1 LEU 9 1.795 3.321 11.639 78 HD13 LEU 9 3HD1 LEU 9 0.170 3.965 11.873 79 HD21 LEU 9 3HD2 LEU 9 -0.159 1.655 12.651 80 HD22 LEU 9 1HD2 LEU 9 -0.777 0.537 11.435 81 HD23 LEU 9 2HD2 LEU 9 -1.585 2.081 11.706 82 H GLU 10 H GLU 10 2.312 1.516 9.139 83 HA GLU 10 HA GLU 10 3.760 3.743 10.057 84 HB2 GLU 10 2HB GLU 10 5.405 2.240 10.750 85 HB3 GLU 10 1HB GLU 10 3.916 1.311 10.837 86 HG2 GLU 10 2HG GLU 10 4.654 -0.175 9.363 87 HG3 GLU 10 1HG GLU 10 5.181 1.087 8.249 88 H VAL 11 H VAL 11 3.802 1.940 7.099 89 HA VAL 11 HA VAL 11 6.256 2.787 6.080 90 HB VAL 11 HB VAL 11 3.882 1.495 5.003 91 HG11 VAL 11 1HG1 VAL 11 3.931 3.097 3.301 92 HG12 VAL 11 2HG1 VAL 11 4.851 1.741 2.648 93 HG13 VAL 11 3HG1 VAL 11 5.694 3.152 3.288 94 HG21 VAL 11 3HG2 VAL 11 6.075 0.400 3.812 95 HG22 VAL 11 1HG2 VAL 11 5.373 -0.126 5.343 96 HG23 VAL 11 2HG2 VAL 11 6.732 0.997 5.337 97 H VAL 12 H VAL 12 3.019 3.965 5.260 98 HA VAL 12 HA VAL 12 3.844 6.052 3.587 99 HB VAL 12 HB VAL 12 1.570 5.578 3.429 100 HG11 VAL 12 1HG1 VAL 12 0.036 5.587 5.396 101 HG12 VAL 12 2HG1 VAL 12 1.450 5.764 6.434 102 HG13 VAL 12 3HG1 VAL 12 1.260 4.319 5.440 103 HG21 VAL 12 3HG2 VAL 12 1.888 7.963 3.364 104 HG22 VAL 12 1HG2 VAL 12 1.798 8.063 5.122 105 HG23 VAL 12 2HG2 VAL 12 0.370 7.613 4.190 106 H LYS 13 H LYS 13 3.181 5.962 7.042 107 HA LYS 13 HA LYS 13 3.598 8.688 7.579 108 HB2 LYS 13 2HB LYS 13 3.819 7.969 9.916 109 HB3 LYS 13 1HB LYS 13 2.462 7.175 9.127 110 HG2 LYS 13 2HG LYS 13 3.452 5.134 9.138 111 HG3 LYS 13 1HG LYS 13 5.088 5.802 9.163 112 HD2 LYS 13 2HD LYS 13 4.387 4.714 11.305 113 HD3 LYS 13 1HD LYS 13 4.886 6.397 11.472 114 HE2 LYS 13 2HE LYS 13 2.342 6.883 11.161 115 HE3 LYS 13 1HE LYS 13 2.155 5.199 11.647 116 HZ1 LYS 13 3HZ LYS 13 2.212 7.164 13.388 117 HZ2 LYS 13 1HZ LYS 13 3.879 6.883 13.295 118 HZ3 LYS 13 2HZ LYS 13 2.834 5.633 13.749 119 H ASN 14 H ASN 14 5.796 5.942 7.351 120 HA ASN 14 HA ASN 14 8.051 7.451 8.303 121 HB2 ASN 14 2HB ASN 14 8.078 4.757 6.938 122 HB3 ASN 14 1HB ASN 14 9.357 5.459 7.919 123 HD21 ASN 14 1HD2 ASN 14 6.670 6.348 9.470 124 HD22 ASN 14 2HD2 ASN 14 6.471 5.013 10.548 125 H PHE 15 H PHE 15 6.371 7.409 5.481 126 HA PHE 15 HA PHE 15 8.570 7.527 3.648 127 HB2 PHE 15 2HB PHE 15 5.640 7.530 3.473 128 HB3 PHE 15 1HB PHE 15 6.432 8.549 2.275 129 HD1 PHE 15 2HD PHE 15 8.911 6.968 1.824 130 HD2 PHE 15 1HD PHE 15 4.848 5.754 2.188 131 HE1 PHE 15 2HE PHE 15 9.386 4.985 0.449 132 HE2 PHE 15 1HE PHE 15 5.315 3.767 0.813 133 HZ PHE 15 HZ PHE 15 7.586 3.381 -0.059 134 H GLU 16 H GLU 16 6.793 9.687 5.619 135 HA GLU 16 HA GLU 16 7.717 11.820 6.180 136 HB2 GLU 16 2HB GLU 16 9.008 13.069 4.704 137 HB3 GLU 16 1HB GLU 16 9.439 11.420 4.279 138 HG2 GLU 16 2HG GLU 16 8.861 11.812 2.190 139 HG3 GLU 16 1HG GLU 16 7.212 12.150 2.710 140 H LYS 17 H LYS 17 5.311 10.596 4.404 141 HA LYS 17 HA LYS 17 4.067 12.877 3.297 142 HB2 LYS 17 2HB LYS 17 2.705 10.359 4.236 143 HB3 LYS 17 1HB LYS 17 2.124 11.485 3.022 144 HG2 LYS 17 2HG LYS 17 4.059 9.291 2.804 145 HG3 LYS 17 1HG LYS 17 2.962 9.969 1.599 146 HD2 LYS 17 2HD LYS 17 5.601 11.109 2.496 147 HD3 LYS 17 1HD LYS 17 5.239 10.390 0.925 148 HE2 LYS 17 2HE LYS 17 3.457 12.579 1.713 149 HE3 LYS 17 1HE LYS 17 5.140 13.055 1.485 150 HZ1 LYS 17 3HZ LYS 17 3.289 11.854 -0.481 151 HZ2 LYS 17 1HZ LYS 17 4.965 11.805 -0.709 152 HZ3 LYS 17 2HZ LYS 17 4.169 13.294 -0.604 153 H VAL 18 H VAL 18 3.543 11.122 6.354 154 HA VAL 18 HA VAL 18 3.084 13.370 7.912 155 HB VAL 18 HB VAL 18 0.430 12.619 8.058 156 HG11 VAL 18 1HG1 VAL 18 1.854 14.914 7.832 157 HG12 VAL 18 2HG1 VAL 18 0.094 14.827 7.806 158 HG13 VAL 18 3HG1 VAL 18 0.995 14.896 6.292 159 HG21 VAL 18 3HG2 VAL 18 -0.403 12.032 6.071 160 HG22 VAL 18 1HG2 VAL 18 1.263 11.694 5.597 161 HG23 VAL 18 2HG2 VAL 18 0.540 13.259 5.224 162 H ASP 19 H ASP 19 2.344 12.873 10.062 163 HA ASP 19 HA ASP 19 3.085 10.249 10.885 164 HB2 ASP 19 2HB ASP 19 1.733 12.232 12.686 165 HB3 ASP 19 1HB ASP 19 2.982 11.053 13.078 166 H ALA 20 H ALA 20 1.825 8.535 11.324 167 HA ALA 20 HA ALA 20 -0.822 8.391 10.462 168 HB1 ALA 20 1HB ALA 20 0.478 6.593 12.500 169 HB2 ALA 20 2HB ALA 20 0.708 6.457 10.757 170 HB3 ALA 20 3HB ALA 20 -0.892 6.207 11.458 171 H SER 21 H SER 21 0.456 9.645 13.365 172 HA SER 21 HA SER 21 -1.717 9.171 15.101 173 HB2 SER 21 2HB SER 21 -0.570 10.443 16.633 174 HB3 SER 21 1HB SER 21 0.752 10.081 15.522 175 HG SER 21 HG SER 21 -0.710 12.463 15.837 176 H LYS 22 H LYS 22 -1.332 11.270 12.450 177 HA LYS 22 HA LYS 22 -3.325 13.164 13.351 178 HB2 LYS 22 2HB LYS 22 -2.832 14.423 11.402 179 HB3 LYS 22 1HB LYS 22 -1.292 13.823 12.003 180 HG2 LYS 22 2HG LYS 22 -1.636 11.897 10.332 181 HG3 LYS 22 1HG LYS 22 -2.841 12.955 9.596 182 HD2 LYS 22 2HD LYS 22 0.109 13.199 9.684 183 HD3 LYS 22 1HD LYS 22 -1.027 13.636 8.407 184 HE2 LYS 22 2HE LYS 22 -1.550 15.679 9.407 185 HE3 LYS 22 1HE LYS 22 -0.925 15.175 10.977 186 HZ1 LYS 22 3HZ LYS 22 1.272 15.008 9.477 187 HZ2 LYS 22 1HZ LYS 22 0.834 16.394 10.344 188 HZ3 LYS 22 2HZ LYS 22 0.479 16.281 8.694 189 H VAL 23 H VAL 23 -3.216 10.217 11.672 190 HA VAL 23 HA VAL 23 -5.549 10.653 10.056 191 HB VAL 23 HB VAL 23 -5.179 8.601 9.135 192 HG11 VAL 23 1HG1 VAL 23 -2.505 9.125 10.430 193 HG12 VAL 23 2HG1 VAL 23 -3.095 9.876 8.948 194 HG13 VAL 23 3HG1 VAL 23 -2.792 8.140 8.996 195 HG21 VAL 23 3HG2 VAL 23 -5.698 7.322 11.136 196 HG22 VAL 23 1HG2 VAL 23 -4.089 7.647 11.781 197 HG23 VAL 23 2HG2 VAL 23 -4.275 6.657 10.334 198 H THR 24 H THR 24 -7.595 10.454 10.690 199 HA THR 24 HA THR 24 -8.152 9.019 13.164 200 HB THR 24 HB THR 24 -8.769 11.666 12.441 201 HG1 THR 24 1HG THR 24 -9.278 11.759 14.511 202 HG21 THR 24 3HG2 THR 24 -11.334 10.214 12.934 203 HG22 THR 24 1HG2 THR 24 -10.775 10.566 11.301 204 HG23 THR 24 2HG2 THR 24 -11.077 11.884 12.431 205 HA PRO 25 HA PRO 25 -10.958 6.224 11.269 206 HB2 PRO 25 2HB PRO 25 -13.341 6.640 12.599 207 HB3 PRO 25 1HB PRO 25 -12.001 5.671 13.218 208 HG2 PRO 25 2HG PRO 25 -12.740 8.501 13.837 209 HG3 PRO 25 1HG PRO 25 -12.162 7.228 14.927 210 HD2 PRO 25 2HD PRO 25 -10.533 9.174 14.055 211 HD3 PRO 25 1HD PRO 25 -9.951 7.512 14.288 212 H GLU 26 H GLU 26 -12.278 9.480 11.673 213 HA GLU 26 HA GLU 26 -13.884 9.111 9.262 214 HB2 GLU 26 2HB GLU 26 -15.056 9.902 11.296 215 HB3 GLU 26 1HB GLU 26 -14.024 11.325 11.309 216 HG2 GLU 26 2HG GLU 26 -16.308 11.659 10.349 217 HG3 GLU 26 1HG GLU 26 -14.971 12.147 9.307 218 H SER 27 H SER 27 -10.888 9.883 9.777 219 HA SER 27 HA SER 27 -10.659 12.455 8.562 220 HB2 SER 27 2HB SER 27 -9.014 11.343 10.204 221 HB3 SER 27 1HB SER 27 -8.419 10.460 8.799 222 HG SER 27 HG SER 27 -8.251 13.186 9.401 223 H HIS 28 H HIS 28 -10.248 12.969 6.472 224 HA HIS 28 HA HIS 28 -10.642 10.902 4.509 225 HB2 HIS 28 2HB HIS 28 -11.070 13.741 4.645 226 HB3 HIS 28 1HB HIS 28 -10.124 13.345 3.214 227 HD1 HIS 28 1HD HIS 28 -13.184 11.757 4.849 228 HD2 HIS 28 2HD HIS 28 -11.807 13.019 1.137 229 HE1 HIS 28 1HE HIS 28 -15.037 11.234 3.230 230 HE2 HIS 28 2HE HIS 28 -14.145 11.925 0.978 231 H PHE 29 H PHE 29 -9.206 10.433 2.801 232 HA PHE 29 HA PHE 29 -6.478 10.411 3.524 233 HB2 PHE 29 2HB PHE 29 -7.655 8.700 2.088 234 HB3 PHE 29 1HB PHE 29 -7.597 9.873 0.777 235 HD1 PHE 29 2HD PHE 29 -4.990 11.012 0.878 236 HD2 PHE 29 1HD PHE 29 -6.172 7.002 1.674 237 HE1 PHE 29 2HE PHE 29 -2.734 10.233 0.281 238 HE2 PHE 29 1HE PHE 29 -3.918 6.216 1.079 239 HZ PHE 29 HZ PHE 29 -2.196 7.832 0.380 240 H VAL 30 H VAL 30 -8.301 12.245 1.142 241 HA VAL 30 HA VAL 30 -5.982 13.755 0.370 242 HB VAL 30 HB VAL 30 -8.614 14.685 -0.553 243 HG11 VAL 30 1HG1 VAL 30 -6.287 15.384 -1.357 244 HG12 VAL 30 2HG1 VAL 30 -7.501 15.024 -2.585 245 HG13 VAL 30 3HG1 VAL 30 -6.254 13.837 -2.202 246 HG21 VAL 30 3HG2 VAL 30 -7.617 11.906 -1.108 247 HG22 VAL 30 1HG2 VAL 30 -8.684 12.759 -2.223 248 HG23 VAL 30 2HG2 VAL 30 -9.221 12.416 -0.578 249 H LYS 31 H LYS 31 -8.882 14.189 2.230 250 HA LYS 31 HA LYS 31 -8.551 16.993 2.614 251 HB2 LYS 31 2HB LYS 31 -10.208 15.223 4.385 252 HB3 LYS 31 1HB LYS 31 -10.479 16.906 3.951 253 HG2 LYS 31 2HG LYS 31 -11.005 16.222 1.657 254 HG3 LYS 31 1HG LYS 31 -10.761 14.535 2.114 255 HD2 LYS 31 2HD LYS 31 -13.024 14.664 2.374 256 HD3 LYS 31 1HD LYS 31 -12.524 15.177 3.987 257 HE2 LYS 31 2HE LYS 31 -12.534 17.479 2.359 258 HE3 LYS 31 1HE LYS 31 -14.030 16.609 2.021 259 HZ1 LYS 31 3HZ LYS 31 -14.771 16.867 4.153 260 HZ2 LYS 31 1HZ LYS 31 -13.885 18.299 3.983 261 HZ3 LYS 31 2HZ LYS 31 -13.219 16.987 4.815 262 H ASP 32 H ASP 32 -7.315 14.168 4.127 263 HA ASP 32 HA ASP 32 -6.655 15.498 6.591 264 HB2 ASP 32 2HB ASP 32 -7.311 13.112 6.578 265 HB3 ASP 32 1HB ASP 32 -5.877 12.743 5.625 266 H LEU 33 H LEU 33 -5.415 15.649 3.596 267 HA LEU 33 HA LEU 33 -3.324 17.138 3.741 268 HB2 LEU 33 2HB LEU 33 -2.584 14.620 5.128 269 HB3 LEU 33 1HB LEU 33 -1.363 15.351 4.105 270 HG LEU 33 HG LEU 33 -2.646 17.255 5.922 271 HD11 LEU 33 1HD1 LEU 33 -1.542 14.721 6.949 272 HD12 LEU 33 2HD1 LEU 33 -2.703 15.833 7.673 273 HD13 LEU 33 3HD1 LEU 33 -0.977 16.193 7.737 274 HD21 LEU 33 3HD2 LEU 33 -0.660 17.737 4.559 275 HD22 LEU 33 1HD2 LEU 33 0.231 16.494 5.436 276 HD23 LEU 33 2HD2 LEU 33 -0.344 17.929 6.283 277 H GLY 34 H GLY 34 -4.806 14.537 2.335 278 HA2 GLY 34 2HA GLY 34 -4.321 13.251 0.425 279 HA3 GLY 34 1HA GLY 34 -4.382 14.881 -0.228 280 H LEU 35 H LEU 35 -2.462 12.133 0.304 281 HA LEU 35 HA LEU 35 0.104 13.340 0.172 282 HB2 LEU 35 2HB LEU 35 -0.957 10.566 -0.125 283 HB3 LEU 35 1HB LEU 35 0.685 10.904 -0.640 284 HG LEU 35 HG LEU 35 1.414 10.736 1.451 285 HD11 LEU 35 1HD1 LEU 35 1.090 13.027 1.871 286 HD12 LEU 35 2HD1 LEU 35 0.409 12.194 3.269 287 HD13 LEU 35 3HD1 LEU 35 -0.658 12.835 2.021 288 HD21 LEU 35 3HD2 LEU 35 -0.077 9.881 3.194 289 HD22 LEU 35 1HD2 LEU 35 -0.317 9.038 1.664 290 HD23 LEU 35 2HD2 LEU 35 -1.473 10.264 2.187 291 H ASN 36 H ASN 36 1.614 13.206 -1.605 292 HA ASN 36 HA ASN 36 0.481 14.070 -4.052 293 HB2 ASN 36 2HB ASN 36 2.774 14.669 -3.030 294 HB3 ASN 36 1HB ASN 36 3.332 13.169 -3.750 295 HD21 ASN 36 1HD2 ASN 36 3.095 12.927 -6.018 296 HD22 ASN 36 2HD2 ASN 36 3.175 14.309 -7.054 297 H SER 37 H SER 37 1.213 13.089 -6.185 298 HA SER 37 HA SER 37 0.142 10.510 -6.435 299 HB2 SER 37 2HB SER 37 1.974 11.384 -8.574 300 HB3 SER 37 1HB SER 37 0.293 10.861 -8.672 301 H LEU 38 H LEU 38 3.482 11.546 -6.985 302 HA LEU 38 HA LEU 38 4.666 9.094 -7.313 303 HB2 LEU 38 2HB LEU 38 6.731 10.102 -6.844 304 HB3 LEU 38 1HB LEU 38 5.733 11.389 -7.491 305 HG LEU 38 HG LEU 38 7.089 12.147 -5.596 306 HD11 LEU 38 1HD1 LEU 38 4.143 12.053 -4.980 307 HD12 LEU 38 2HD1 LEU 38 4.943 13.216 -6.035 308 HD13 LEU 38 3HD1 LEU 38 5.307 13.195 -4.310 309 HD21 LEU 38 3HD2 LEU 38 6.600 9.700 -4.501 310 HD22 LEU 38 1HD2 LEU 38 5.519 10.738 -3.569 311 HD23 LEU 38 2HD2 LEU 38 7.246 11.090 -3.629 312 H ASP 39 H ASP 39 3.423 10.499 -4.428 313 HA ASP 39 HA ASP 39 4.830 8.836 -2.587 314 HB2 ASP 39 2HB ASP 39 3.934 10.962 -1.840 315 HB3 ASP 39 1HB ASP 39 2.302 10.459 -2.269 316 H VAL 40 H VAL 40 1.348 8.949 -2.583 317 HA VAL 40 HA VAL 40 0.774 6.476 -1.703 318 HB VAL 40 HB VAL 40 -0.778 8.441 -2.640 319 HG11 VAL 40 1HG1 VAL 40 -0.150 7.258 -4.993 320 HG12 VAL 40 2HG1 VAL 40 -1.629 8.174 -4.705 321 HG13 VAL 40 3HG1 VAL 40 -1.645 6.415 -4.584 322 HG21 VAL 40 3HG2 VAL 40 -2.164 7.255 -1.372 323 HG22 VAL 40 1HG2 VAL 40 -1.160 5.818 -1.571 324 HG23 VAL 40 2HG2 VAL 40 -2.442 6.166 -2.732 325 H VAL 41 H VAL 41 1.828 7.263 -4.948 326 HA VAL 41 HA VAL 41 1.202 4.771 -6.135 327 HB VAL 41 HB VAL 41 2.518 5.450 -7.997 328 HG11 VAL 41 1HG1 VAL 41 1.838 8.101 -7.847 329 HG12 VAL 41 2HG1 VAL 41 0.741 7.356 -6.683 330 HG13 VAL 41 3HG1 VAL 41 0.767 6.795 -8.355 331 HG21 VAL 41 3HG2 VAL 41 3.910 7.605 -7.751 332 HG22 VAL 41 1HG2 VAL 41 4.575 6.098 -7.119 333 HG23 VAL 41 2HG2 VAL 41 3.847 7.268 -6.021 334 H GLU 42 H GLU 42 4.089 6.047 -4.549 335 HA GLU 42 HA GLU 42 5.698 3.779 -5.132 336 HB2 GLU 42 2HB GLU 42 5.981 6.257 -3.551 337 HB3 GLU 42 1HB GLU 42 6.963 4.897 -3.026 338 HG2 GLU 42 2HG GLU 42 7.477 4.810 -5.645 339 HG3 GLU 42 1HG GLU 42 7.136 6.532 -5.475 340 H VAL 43 H VAL 43 3.920 4.893 -2.320 341 HA VAL 43 HA VAL 43 4.618 2.773 -0.605 342 HB VAL 43 HB VAL 43 3.727 4.466 0.632 343 HG11 VAL 43 1HG1 VAL 43 1.338 5.370 -0.389 344 HG12 VAL 43 2HG1 VAL 43 2.305 5.060 -1.829 345 HG13 VAL 43 3HG1 VAL 43 2.906 6.150 -0.580 346 HG21 VAL 43 3HG2 VAL 43 2.429 2.303 0.970 347 HG22 VAL 43 1HG2 VAL 43 1.130 3.110 0.101 348 HG23 VAL 43 2HG2 VAL 43 1.722 3.788 1.611 349 H VAL 44 H VAL 44 1.943 3.265 -2.830 350 HA VAL 44 HA VAL 44 0.413 1.024 -2.145 351 HB VAL 44 HB VAL 44 -0.653 2.543 -3.578 352 HG11 VAL 44 1HG1 VAL 44 1.851 3.031 -4.601 353 HG12 VAL 44 2HG1 VAL 44 0.342 3.742 -5.172 354 HG13 VAL 44 3HG1 VAL 44 0.996 2.308 -5.963 355 HG21 VAL 44 3HG2 VAL 44 -0.519 0.982 -5.872 356 HG22 VAL 44 1HG2 VAL 44 -1.647 0.793 -4.529 357 HG23 VAL 44 2HG2 VAL 44 -0.145 -0.131 -4.556 358 H PHE 45 H PHE 45 3.139 1.388 -4.363 359 HA PHE 45 HA PHE 45 3.053 -1.266 -5.359 360 HB2 PHE 45 2HB PHE 45 5.206 0.843 -5.301 361 HB3 PHE 45 1HB PHE 45 5.481 -0.753 -5.993 362 HD1 PHE 45 1HD PHE 45 2.400 1.299 -6.179 363 HD2 PHE 45 2HD PHE 45 5.764 -0.273 -8.258 364 HE1 PHE 45 1HE PHE 45 1.435 2.063 -8.310 365 HE2 PHE 45 2HE PHE 45 4.806 0.489 -10.393 366 HZ PHE 45 HZ PHE 45 2.639 1.658 -10.421 367 H ALA 46 H ALA 46 4.292 0.207 -2.507 368 HA ALA 46 HA ALA 46 6.080 -1.893 -1.786 369 HB1 ALA 46 1HB ALA 46 5.016 -0.099 0.303 370 HB2 ALA 46 2HB ALA 46 5.919 0.650 -1.013 371 HB3 ALA 46 3HB ALA 46 6.675 -0.598 -0.023 372 H ILE 47 H ILE 47 3.174 -0.727 -0.160 373 HA ILE 47 HA ILE 47 2.712 -2.852 1.509 374 HB ILE 47 HB ILE 47 0.287 -2.236 1.410 375 HG12 ILE 47 2HG1 ILE 47 1.191 -0.975 -1.042 376 HG13 ILE 47 1HG1 ILE 47 -0.448 -1.307 -0.497 377 HG21 ILE 47 1HG2 ILE 47 1.380 -1.073 3.053 378 HG22 ILE 47 2HG2 ILE 47 0.807 0.258 2.047 379 HG23 ILE 47 3HG2 ILE 47 2.480 -0.288 1.919 380 HD11 ILE 47 3HD1 ILE 47 1.048 1.176 -0.508 381 HD12 ILE 47 1HD1 ILE 47 0.298 0.837 1.051 382 HD13 ILE 47 2HD1 ILE 47 -0.689 0.898 -0.407 383 H GLU 48 H GLU 48 1.563 -2.454 -1.835 384 HA GLU 48 HA GLU 48 0.062 -4.784 -2.026 385 HB2 GLU 48 2HB GLU 48 -0.103 -3.228 -3.805 386 HB3 GLU 48 1HB GLU 48 1.634 -3.235 -4.073 387 HG2 GLU 48 2HG GLU 48 -0.175 -5.585 -4.576 388 HG3 GLU 48 1HG GLU 48 0.341 -4.433 -5.808 389 H GLN 49 H GLN 49 3.497 -4.242 -2.331 390 HA GLN 49 HA GLN 49 4.312 -6.699 -3.348 391 HB2 GLN 49 2HB GLN 49 5.546 -4.439 -2.059 392 HB3 GLN 49 1HB GLN 49 6.233 -5.929 -1.426 393 HG2 GLN 49 2HG GLN 49 6.773 -6.655 -3.685 394 HG3 GLN 49 1HG GLN 49 6.058 -5.180 -4.336 395 HE21 GLN 49 1HE2 GLN 49 6.981 -3.222 -2.808 396 HE22 GLN 49 2HE2 GLN 49 8.706 -3.139 -2.852 397 H GLU 50 H GLU 50 3.756 -5.705 0.013 398 HA GLU 50 HA GLU 50 3.907 -8.507 0.794 399 HB2 GLU 50 2HB GLU 50 4.244 -7.681 3.100 400 HB3 GLU 50 1HB GLU 50 5.498 -7.137 1.993 401 HG2 GLU 50 2HG GLU 50 3.200 -5.325 2.313 402 HG3 GLU 50 1HG GLU 50 4.224 -5.535 3.733 403 H PHE 51 H PHE 51 1.610 -7.384 -0.467 404 HA PHE 51 HA PHE 51 -0.341 -7.855 1.630 405 HB2 PHE 51 2HB PHE 51 -0.081 -5.434 -0.035 406 HB3 PHE 51 1HB PHE 51 -1.711 -6.073 0.128 407 HD1 PHE 51 2HD PHE 51 1.235 -4.992 2.113 408 HD2 PHE 51 1HD PHE 51 -2.975 -5.603 2.016 409 HE1 PHE 51 2HE PHE 51 1.029 -3.891 4.303 410 HE2 PHE 51 1HE PHE 51 -3.189 -4.502 4.206 411 HZ PHE 51 HZ PHE 51 -1.186 -3.645 5.352 412 H ILE 52 H ILE 52 0.849 -8.720 -1.318 413 HA ILE 52 HA ILE 52 0.103 -9.933 -3.086 414 HB ILE 52 HB ILE 52 -1.766 -11.597 -2.484 415 HG12 ILE 52 2HG1 ILE 52 -1.763 -11.940 0.080 416 HG13 ILE 52 1HG1 ILE 52 -1.293 -10.252 0.133 417 HG21 ILE 52 1HG2 ILE 52 -0.125 -13.043 -2.014 418 HG22 ILE 52 2HG2 ILE 52 0.409 -12.119 -0.610 419 HG23 ILE 52 3HG2 ILE 52 0.942 -11.654 -2.226 420 HD11 ILE 52 3HD1 ILE 52 -3.821 -11.411 -0.982 421 HD12 ILE 52 1HD1 ILE 52 -3.332 -9.735 -1.221 422 HD13 ILE 52 2HD1 ILE 52 -3.640 -10.338 0.407 423 H LEU 53 H LEU 53 -0.801 -7.468 -3.391 424 HA LEU 53 HA LEU 53 -2.897 -7.623 -5.143 425 HB2 LEU 53 2HB LEU 53 -3.905 -7.967 -2.585 426 HB3 LEU 53 1HB LEU 53 -4.217 -6.275 -2.924 427 HG LEU 53 HG LEU 53 -6.092 -6.965 -3.918 428 HD11 LEU 53 1HD1 LEU 53 -5.951 -7.522 -6.208 429 HD12 LEU 53 2HD1 LEU 53 -4.370 -8.276 -6.003 430 HD13 LEU 53 3HD1 LEU 53 -4.537 -6.527 -5.858 431 HD21 LEU 53 3HD2 LEU 53 -4.828 -9.653 -3.662 432 HD22 LEU 53 1HD2 LEU 53 -6.251 -9.464 -4.686 433 HD23 LEU 53 2HD2 LEU 53 -6.335 -9.045 -2.976 434 H ASP 54 H ASP 54 -3.001 -5.762 -6.276 435 HA ASP 54 HA ASP 54 -1.324 -3.590 -5.455 436 HB2 ASP 54 2HB ASP 54 -1.951 -4.630 -7.885 437 HB3 ASP 54 1HB ASP 54 -3.018 -3.230 -7.842 438 H ILE 55 H ILE 55 -1.938 -1.507 -4.947 439 HA ILE 55 HA ILE 55 -4.794 -1.118 -4.436 440 HB ILE 55 HB ILE 55 -2.412 -0.121 -2.894 441 HG12 ILE 55 2HG1 ILE 55 -2.870 -2.085 -1.855 442 HG13 ILE 55 1HG1 ILE 55 -4.157 -1.156 -1.093 443 HG21 ILE 55 1HG2 ILE 55 -5.113 1.009 -3.133 444 HG22 ILE 55 2HG2 ILE 55 -3.606 1.762 -2.611 445 HG23 ILE 55 3HG2 ILE 55 -4.539 0.779 -1.481 446 HD11 ILE 55 3HD1 ILE 55 -5.584 -1.921 -3.096 447 HD12 ILE 55 1HD1 ILE 55 -5.231 -3.071 -1.807 448 HD13 ILE 55 2HD1 ILE 55 -4.327 -3.139 -3.319 449 HA PRO 56 HA PRO 56 -2.757 2.682 -6.665 450 HB2 PRO 56 2HB PRO 56 -1.896 1.913 -9.097 451 HB3 PRO 56 1HB PRO 56 -0.851 1.853 -7.672 452 HG2 PRO 56 2HG PRO 56 -2.395 -0.358 -8.979 453 HG3 PRO 56 1HG PRO 56 -0.723 -0.362 -8.388 454 HD2 PRO 56 2HD PRO 56 -2.790 -1.408 -6.966 455 HD3 PRO 56 1HD PRO 56 -1.363 -0.680 -6.202 456 H ASP 57 H ASP 57 -3.358 1.006 -9.601 457 HA ASP 57 HA ASP 57 -4.964 2.118 -11.093 458 HB2 ASP 57 2HB ASP 57 -6.038 -0.392 -9.791 459 HB3 ASP 57 1HB ASP 57 -6.606 0.275 -11.320 460 H HIS 58 H HIS 58 -7.725 0.859 -10.109 461 HA HIS 58 HA HIS 58 -8.794 3.394 -9.306 462 HB2 HIS 58 2HB HIS 58 -10.439 0.903 -9.331 463 HB3 HIS 58 1HB HIS 58 -10.879 2.537 -9.814 464 HD1 HIS 58 1HD HIS 58 -10.467 3.200 -12.241 465 HD2 HIS 58 2HD HIS 58 -9.065 -0.598 -11.307 466 HE1 HIS 58 1HE HIS 58 -9.891 2.136 -14.445 467 HE2 HIS 58 2HE HIS 58 -8.962 -0.129 -13.849 468 H ASP 59 H ASP 59 -7.580 0.664 -7.710 469 HA ASP 59 HA ASP 59 -9.225 0.563 -5.436 470 HB2 ASP 59 2HB ASP 59 -6.266 -0.036 -5.469 471 HB3 ASP 59 1HB ASP 59 -7.493 -0.725 -4.410 472 H ALA 60 H ALA 60 -6.256 2.383 -6.088 473 HA ALA 60 HA ALA 60 -6.423 3.725 -3.537 474 HB1 ALA 60 1HB ALA 60 -4.412 3.607 -5.723 475 HB2 ALA 60 2HB ALA 60 -4.214 3.321 -3.994 476 HB3 ALA 60 3HB ALA 60 -4.378 4.968 -4.602 477 H GLU 61 H GLU 61 -6.863 4.439 -6.935 478 HA GLU 61 HA GLU 61 -7.159 7.231 -6.700 479 HB2 GLU 61 2HB GLU 61 -7.619 5.193 -8.759 480 HB3 GLU 61 1HB GLU 61 -8.708 6.570 -8.870 481 HG2 GLU 61 2HG GLU 61 -6.901 8.089 -9.104 482 HG3 GLU 61 1HG GLU 61 -5.722 6.847 -8.687 483 H LYS 62 H LYS 62 -9.431 4.570 -6.402 484 HA LYS 62 HA LYS 62 -11.711 6.313 -6.191 485 HB2 LYS 62 2HB LYS 62 -11.435 3.338 -5.752 486 HB3 LYS 62 1HB LYS 62 -12.959 4.216 -5.733 487 HG2 LYS 62 2HG LYS 62 -11.162 3.599 -8.036 488 HG3 LYS 62 1HG LYS 62 -12.899 3.336 -7.865 489 HD2 LYS 62 2HD LYS 62 -13.014 5.930 -7.738 490 HD3 LYS 62 1HD LYS 62 -11.415 5.861 -8.482 491 HE2 LYS 62 2HE LYS 62 -13.728 4.344 -9.635 492 HE3 LYS 62 1HE LYS 62 -13.485 6.050 -10.009 493 HZ1 LYS 62 3HZ LYS 62 -11.109 5.284 -10.598 494 HZ2 LYS 62 1HZ LYS 62 -12.360 4.989 -11.698 495 HZ3 LYS 62 2HZ LYS 62 -11.794 3.741 -10.707 496 H ILE 63 H ILE 63 -9.331 6.142 -4.198 497 HA ILE 63 HA ILE 63 -10.902 5.744 -1.765 498 HB ILE 63 HB ILE 63 -8.081 5.292 -2.436 499 HG12 ILE 63 2HG1 ILE 63 -9.187 4.123 0.007 500 HG13 ILE 63 1HG1 ILE 63 -10.192 3.837 -1.409 501 HG21 ILE 63 1HG2 ILE 63 -7.359 6.905 -1.015 502 HG22 ILE 63 2HG2 ILE 63 -7.665 5.639 0.174 503 HG23 ILE 63 3HG2 ILE 63 -8.858 6.913 -0.085 504 HD11 ILE 63 3HD1 ILE 63 -7.661 2.656 -0.655 505 HD12 ILE 63 1HD1 ILE 63 -7.645 3.284 -2.302 506 HD13 ILE 63 2HD1 ILE 63 -8.867 2.108 -1.819 507 H GLN 64 H GLN 64 -11.567 7.482 -0.699 508 HA GLN 64 HA GLN 64 -10.115 9.984 -1.051 509 HB2 GLN 64 2HB GLN 64 -13.050 9.708 -0.422 510 HB3 GLN 64 1HB GLN 64 -12.186 11.191 -0.809 511 HG2 GLN 64 2HG GLN 64 -12.933 10.871 -2.879 512 HG3 GLN 64 1HG GLN 64 -11.670 9.647 -2.998 513 HE21 GLN 64 1HE2 GLN 64 -12.290 7.439 -2.368 514 HE22 GLN 64 2HE2 GLN 64 -13.890 6.901 -2.733 515 H SER 65 H SER 65 -10.890 7.582 1.094 516 HA SER 65 HA SER 65 -10.420 9.358 3.400 517 HB2 SER 65 2HB SER 65 -12.704 7.825 2.947 518 HB3 SER 65 1HB SER 65 -11.763 6.872 4.094 519 HG SER 65 HG SER 65 -13.269 8.597 4.909 520 H ILE 66 H ILE 66 -8.759 8.858 4.655 521 HA ILE 66 HA ILE 66 -6.798 7.040 3.930 522 HB ILE 66 HB ILE 66 -6.357 7.269 6.608 523 HG12 ILE 66 2HG1 ILE 66 -8.587 8.909 6.126 524 HG13 ILE 66 1HG1 ILE 66 -7.592 8.870 7.571 525 HG21 ILE 66 1HG2 ILE 66 -5.046 7.996 4.473 526 HG22 ILE 66 2HG2 ILE 66 -4.696 8.755 6.025 527 HG23 ILE 66 3HG2 ILE 66 -5.707 9.587 4.845 528 HD11 ILE 66 3HD1 ILE 66 -7.944 11.123 6.508 529 HD12 ILE 66 1HD1 ILE 66 -6.913 10.562 5.193 530 HD13 ILE 66 2HD1 ILE 66 -6.270 10.669 6.831 531 HA PRO 67 HA PRO 67 -8.626 4.053 7.300 532 HB2 PRO 67 2HB PRO 67 -11.258 4.391 7.881 533 HB3 PRO 67 1HB PRO 67 -9.964 5.189 8.781 534 HG2 PRO 67 2HG PRO 67 -11.698 6.271 6.594 535 HG3 PRO 67 1HG PRO 67 -11.193 7.044 8.108 536 HD2 PRO 67 2HD PRO 67 -10.008 7.579 5.733 537 HD3 PRO 67 1HD PRO 67 -9.124 7.619 7.272 538 H ASP 68 H ASP 68 -10.713 5.227 4.709 539 HA ASP 68 HA ASP 68 -12.096 2.828 4.226 540 HB2 ASP 68 2HB ASP 68 -13.034 3.906 2.435 541 HB3 ASP 68 1HB ASP 68 -12.416 5.304 3.309 542 H ALA 69 H ALA 69 -8.925 3.885 3.378 543 HA ALA 69 HA ALA 69 -8.539 1.933 1.319 544 HB1 ALA 69 1HB ALA 69 -7.314 4.308 1.953 545 HB2 ALA 69 2HB ALA 69 -6.748 3.139 0.762 546 HB3 ALA 69 3HB ALA 69 -6.115 3.097 2.407 547 H VAL 70 H VAL 70 -7.216 2.459 4.548 548 HA VAL 70 HA VAL 70 -5.785 0.036 4.675 549 HB VAL 70 HB VAL 70 -5.352 2.013 6.134 550 HG11 VAL 70 1HG1 VAL 70 -6.946 1.613 8.326 551 HG12 VAL 70 2HG1 VAL 70 -8.074 1.390 6.988 552 HG13 VAL 70 3HG1 VAL 70 -7.156 2.890 7.128 553 HG21 VAL 70 3HG2 VAL 70 -4.206 0.602 7.409 554 HG22 VAL 70 1HG2 VAL 70 -5.154 -0.721 6.728 555 HG23 VAL 70 2HG2 VAL 70 -5.679 0.066 8.216 556 H GLU 71 H GLU 71 -9.095 0.824 5.200 557 HA GLU 71 HA GLU 71 -9.772 -1.392 6.835 558 HB2 GLU 71 2HB GLU 71 -12.047 -0.769 6.482 559 HB3 GLU 71 1HB GLU 71 -11.117 0.717 6.609 560 HG2 GLU 71 2HG GLU 71 -11.170 1.016 4.227 561 HG3 GLU 71 1HG GLU 71 -11.952 -0.549 4.011 562 H TYR 72 H TYR 72 -10.277 -0.741 3.370 563 HA TYR 72 HA TYR 72 -11.330 -3.267 2.751 564 HB2 TYR 72 2HB TYR 72 -11.310 -2.589 0.544 565 HB3 TYR 72 1HB TYR 72 -11.258 -1.034 1.369 566 HD1 TYR 72 2HD TYR 72 -9.296 -3.488 -0.545 567 HD2 TYR 72 1HD TYR 72 -9.314 0.371 1.244 568 HE1 TYR 72 2HE TYR 72 -7.238 -2.919 -1.765 569 HE2 TYR 72 1HE TYR 72 -7.257 0.951 0.029 570 HH TYR 72 HH TYR 72 -6.191 -0.383 -2.526 571 H ILE 73 H ILE 73 -8.053 -2.034 2.781 572 HA ILE 73 HA ILE 73 -6.826 -4.276 1.596 573 HB ILE 73 HB ILE 73 -5.633 -2.281 3.478 574 HG12 ILE 73 2HG1 ILE 73 -5.006 -2.139 0.611 575 HG13 ILE 73 1HG1 ILE 73 -6.684 -1.783 1.008 576 HG21 ILE 73 1HG2 ILE 73 -4.080 -3.833 1.462 577 HG22 ILE 73 2HG2 ILE 73 -4.466 -4.555 3.024 578 HG23 ILE 73 3HG2 ILE 73 -3.529 -3.063 2.950 579 HD11 ILE 73 3HD1 ILE 73 -4.280 -0.205 1.445 580 HD12 ILE 73 1HD1 ILE 73 -5.321 -0.314 2.864 581 HD13 ILE 73 2HD1 ILE 73 -5.968 0.296 1.341 582 H ALA 74 H ALA 74 -7.768 -3.509 4.845 583 HA ALA 74 HA ALA 74 -6.276 -5.490 6.178 584 HB1 ALA 74 1HB ALA 74 -7.689 -3.425 7.052 585 HB2 ALA 74 2HB ALA 74 -7.341 -4.820 8.073 586 HB3 ALA 74 3HB ALA 74 -8.906 -4.682 7.274 587 H GLN 75 H GLN 75 -9.564 -5.459 4.921 588 HA GLN 75 HA GLN 75 -10.086 -8.147 5.724 589 HB2 GLN 75 2HB GLN 75 -11.739 -6.703 3.694 590 HB3 GLN 75 1HB GLN 75 -12.251 -7.838 4.936 591 HG2 GLN 75 2HG GLN 75 -12.368 -6.246 6.545 592 HG3 GLN 75 1HG GLN 75 -11.059 -5.289 5.849 593 HE21 GLN 75 1HE2 GLN 75 -11.905 -3.339 5.561 594 HE22 GLN 75 2HE2 GLN 75 -13.362 -2.993 4.701 595 H ASN 76 H ASN 76 -9.080 -6.550 2.788 596 HA ASN 76 HA ASN 76 -9.546 -8.556 0.927 597 HB2 ASN 76 2HB ASN 76 -7.794 -6.219 1.119 598 HB3 ASN 76 1HB ASN 76 -7.105 -7.513 0.143 599 HD21 ASN 76 1HD2 ASN 76 -9.401 -5.009 0.311 600 HD22 ASN 76 2HD2 ASN 76 -10.112 -5.238 -1.246 601 HA PRO 77 HA PRO 77 -5.132 -10.479 1.513 602 HB2 PRO 77 2HB PRO 77 -3.811 -9.364 3.719 603 HB3 PRO 77 1HB PRO 77 -3.449 -9.047 2.021 604 HG2 PRO 77 2HG PRO 77 -5.079 -7.453 3.943 605 HG3 PRO 77 1HG PRO 77 -4.005 -6.897 2.646 606 HD2 PRO 77 2HD PRO 77 -6.664 -6.840 2.352 607 HD3 PRO 77 1HD PRO 77 -5.602 -7.274 0.995 608 H MET 78 H MET 78 -6.836 -9.299 4.411 609 HA MET 78 HA MET 78 -6.171 -11.468 6.080 610 HB2 MET 78 2HB MET 78 -8.294 -9.372 6.087 611 HB3 MET 78 1HB MET 78 -8.482 -10.751 7.159 612 HG2 MET 78 2HG MET 78 -7.128 -8.457 7.745 613 HG3 MET 78 1HG MET 78 -6.947 -9.998 8.579 614 HE1 MET 78 3HE MET 78 -4.138 -8.248 5.399 615 HE2 MET 78 1HE MET 78 -5.004 -7.249 6.566 616 HE3 MET 78 2HE MET 78 -5.899 -8.175 5.363 617 H ALA 79 H ALA 79 -8.291 -11.211 3.424 618 HA ALA 79 HA ALA 79 -9.858 -13.515 4.185 619 HB1 ALA 79 1HB ALA 79 -10.951 -11.545 3.155 620 HB2 ALA 79 2HB ALA 79 -11.228 -13.047 2.272 621 HB3 ALA 79 3HB ALA 79 -10.052 -11.876 1.675 622 H LYS 80 H LYS 80 -8.550 -12.666 1.039 623 HA LYS 80 HA LYS 80 -8.276 -14.813 -0.342 624 HB2 LYS 80 2HB LYS 80 -5.573 -14.125 -0.340 625 HB3 LYS 80 1HB LYS 80 -6.820 -13.494 -1.405 626 HG2 LYS 80 2HG LYS 80 -6.773 -12.159 1.175 627 HG3 LYS 80 1HG LYS 80 -5.244 -12.028 0.302 628 HD2 LYS 80 2HD LYS 80 -6.688 -10.167 -0.271 629 HD3 LYS 80 1HD LYS 80 -6.468 -11.214 -1.674 630 HE2 LYS 80 2HE LYS 80 -8.634 -12.281 -1.188 631 HE3 LYS 80 1HE LYS 80 -8.853 -11.181 0.172 632 HZ1 LYS 80 3HZ LYS 80 -8.559 -9.355 -1.574 633 HZ2 LYS 80 1HZ LYS 80 -10.029 -10.192 -1.546 634 HZ3 LYS 80 2HZ LYS 80 -8.865 -10.566 -2.714 635 H282 PNS 101 8H2 PNS 101 2.449 13.617 -9.055 636 H281 PNS 101 9H2 PNS 101 2.417 15.384 -9.023 637 H303 PNS 101 0H3 PNS 101 4.514 16.005 -11.769 638 H302 PNS 101 1H3 PNS 101 4.159 16.408 -10.090 639 H301 PNS 101 2H3 PNS 101 2.899 16.543 -11.314 640 H313 PNS 101 3H3 PNS 101 5.461 14.282 -10.590 641 H312 PNS 101 4H3 PNS 101 4.547 12.786 -10.776 642 H311 PNS 101 5H3 PNS 101 4.545 13.634 -9.230 643 H32 PNS 101 6H3 PNS 101 2.010 13.337 -11.573 644 H33 PNS 101 7H3 PNS 101 1.083 14.465 -12.845 645 H36 PNS 101 8H3 PNS 101 5.423 12.938 -13.365 646 H372 PNS 101 9H3 PNS 101 4.422 15.439 -13.593 647 H371 PNS 101 0H4 PNS 101 3.491 14.525 -14.778 648 H382 PNS 101 1H4 PNS 101 6.228 13.854 -15.102 649 H381 PNS 101 2H4 PNS 101 5.157 14.686 -16.228 650 H41 PNS 101 3H4 PNS 101 6.113 15.616 -13.094 651 H422 PNS 101 4H4 PNS 101 8.313 17.315 -13.983 652 H421 PNS 101 5H4 PNS 101 7.030 18.065 -13.035 653 H431 PNS 101 7H4 PNS 101 7.497 16.655 -11.157 654 H432 PNS 101 6H4 PNS 101 8.629 15.682 -12.107 655 H44 PNS 101 8H4 PNS 101 10.379 17.260 -11.441 Start of MODEL 10 1 H1 MET 1 1HT MET 1 -2.914 -9.205 9.567 2 H2 MET 1 2HT MET 1 -3.724 -10.359 10.545 3 H3 MET 1 3HT MET 1 -2.520 -9.347 11.229 4 HA MET 1 HA MET 1 -4.971 -8.304 10.002 5 HB2 MET 1 2HB MET 1 -5.493 -8.068 12.601 6 HB3 MET 1 1HB MET 1 -5.951 -9.501 11.689 7 HG2 MET 1 2HG MET 1 -3.294 -9.412 13.032 8 HG3 MET 1 1HG MET 1 -4.743 -9.710 13.989 9 HE1 MET 1 2HE MET 1 -1.932 -11.923 12.591 10 HE2 MET 1 3HE MET 1 -2.833 -13.103 13.543 11 HE3 MET 1 1HE MET 1 -2.572 -11.476 14.172 12 H ASN 2 H ASN 2 -3.293 -7.649 13.040 13 HA ASN 2 HA ASN 2 -3.315 -4.874 12.712 14 HB2 ASN 2 2HB ASN 2 -1.615 -6.640 14.472 15 HB3 ASN 2 1HB ASN 2 -1.596 -4.881 14.564 16 HD21 ASN 2 1HD2 ASN 2 -4.628 -5.769 13.673 17 HD22 ASN 2 2HD2 ASN 2 -5.386 -5.811 15.224 18 H ASP 3 H ASP 3 -1.017 -7.288 11.748 19 HA ASP 3 HA ASP 3 1.267 -5.808 11.334 20 HB2 ASP 3 2HB ASP 3 1.264 -7.510 9.169 21 HB3 ASP 3 1HB ASP 3 1.824 -7.917 10.789 22 H VAL 4 H VAL 4 -1.693 -5.733 9.538 23 HA VAL 4 HA VAL 4 -0.682 -4.591 7.158 24 HB VAL 4 HB VAL 4 -3.250 -5.281 8.201 25 HG11 VAL 4 1HG1 VAL 4 -3.097 -2.608 6.818 26 HG12 VAL 4 2HG1 VAL 4 -3.643 -2.908 8.467 27 HG13 VAL 4 3HG1 VAL 4 -4.580 -3.518 7.103 28 HG21 VAL 4 3HG2 VAL 4 -2.872 -6.348 6.255 29 HG22 VAL 4 1HG2 VAL 4 -1.866 -5.047 5.617 30 HG23 VAL 4 2HG2 VAL 4 -3.625 -4.915 5.555 31 H LEU 5 H LEU 5 -2.420 -3.082 9.881 32 HA LEU 5 HA LEU 5 -1.975 -0.439 8.994 33 HB2 LEU 5 2HB LEU 5 -2.357 -0.704 11.853 34 HB3 LEU 5 1HB LEU 5 -3.320 0.155 10.672 35 HG LEU 5 HG LEU 5 -4.038 -2.373 10.078 36 HD11 LEU 5 1HD1 LEU 5 -3.149 -2.360 12.934 37 HD12 LEU 5 2HD1 LEU 5 -2.888 -3.579 11.687 38 HD13 LEU 5 3HD1 LEU 5 -4.485 -3.383 12.408 39 HD21 LEU 5 3HD2 LEU 5 -5.135 -0.154 11.563 40 HD22 LEU 5 1HD2 LEU 5 -5.746 -1.693 12.168 41 HD23 LEU 5 2HD2 LEU 5 -5.934 -1.278 10.465 42 H THR 6 H THR 6 -0.252 -2.609 11.092 43 HA THR 6 HA THR 6 1.469 -0.786 12.317 44 HB THR 6 HB THR 6 1.112 -3.550 12.336 45 HG1 THR 6 1HG THR 6 3.139 -2.100 13.677 46 HG21 THR 6 3HG2 THR 6 3.623 -4.176 12.398 47 HG22 THR 6 1HG2 THR 6 3.800 -2.820 11.284 48 HG23 THR 6 2HG2 THR 6 2.758 -4.179 10.860 49 H ARG 7 H ARG 7 2.093 -2.832 9.494 50 HA ARG 7 HA ARG 7 4.557 -1.525 8.910 51 HB2 ARG 7 2HB ARG 7 4.915 -3.426 7.805 52 HB3 ARG 7 1HB ARG 7 3.259 -3.923 8.128 53 HG2 ARG 7 2HG ARG 7 3.391 -4.052 5.829 54 HG3 ARG 7 1HG ARG 7 2.667 -2.462 6.082 55 HD2 ARG 7 2HD ARG 7 4.292 -1.654 4.790 56 HD3 ARG 7 1HD ARG 7 5.383 -1.961 6.140 57 HE ARG 7 HE ARG 7 5.129 -3.520 3.704 58 HH11 ARG 7 1HH1 ARG 7 6.422 -3.287 6.928 59 HH12 ARG 7 2HH1 ARG 7 7.655 -4.472 6.660 60 HH21 ARG 7 1HH2 ARG 7 6.749 -5.084 3.338 61 HH22 ARG 7 2HH2 ARG 7 7.842 -5.495 4.618 62 H VAL 8 H VAL 8 1.343 -1.606 7.427 63 HA VAL 8 HA VAL 8 1.894 0.079 5.276 64 HB VAL 8 HB VAL 8 -0.274 -1.325 5.965 65 HG11 VAL 8 1HG1 VAL 8 -0.912 0.173 7.777 66 HG12 VAL 8 2HG1 VAL 8 -2.127 0.183 6.499 67 HG13 VAL 8 3HG1 VAL 8 -0.992 1.524 6.647 68 HG21 VAL 8 3HG2 VAL 8 -1.245 0.791 4.326 69 HG22 VAL 8 1HG2 VAL 8 -0.733 -0.830 3.854 70 HG23 VAL 8 2HG2 VAL 8 0.443 0.484 3.913 71 H LEU 9 H LEU 9 0.531 0.834 8.468 72 HA LEU 9 HA LEU 9 0.213 3.583 8.139 73 HB2 LEU 9 2HB LEU 9 -0.053 3.709 10.448 74 HB3 LEU 9 1HB LEU 9 -0.513 2.062 10.080 75 HG LEU 9 HG LEU 9 1.915 1.453 10.685 76 HD11 LEU 9 1HD1 LEU 9 1.893 4.306 11.196 77 HD12 LEU 9 2HD1 LEU 9 3.250 3.183 11.102 78 HD13 LEU 9 3HD1 LEU 9 2.370 3.377 12.618 79 HD21 LEU 9 3HD2 LEU 9 1.306 1.632 13.180 80 HD22 LEU 9 1HD2 LEU 9 0.266 0.680 12.123 81 HD23 LEU 9 2HD2 LEU 9 -0.220 2.304 12.604 82 H GLU 10 H GLU 10 3.025 1.760 9.304 83 HA GLU 10 HA GLU 10 4.651 3.932 9.945 84 HB2 GLU 10 2HB GLU 10 6.532 2.374 9.769 85 HB3 GLU 10 1HB GLU 10 5.178 1.647 10.623 86 HG2 GLU 10 2HG GLU 10 4.709 0.184 8.918 87 HG3 GLU 10 1HG GLU 10 5.460 1.203 7.692 88 H VAL 11 H VAL 11 3.995 2.395 6.888 89 HA VAL 11 HA VAL 11 6.087 3.523 5.401 90 HB VAL 11 HB VAL 11 3.473 2.990 4.150 91 HG11 VAL 11 1HG1 VAL 11 5.979 3.606 3.203 92 HG12 VAL 11 2HG1 VAL 11 4.646 2.942 2.259 93 HG13 VAL 11 3HG1 VAL 11 5.856 1.863 2.955 94 HG21 VAL 11 3HG2 VAL 11 4.853 0.569 4.115 95 HG22 VAL 11 1HG2 VAL 11 3.365 0.931 4.991 96 HG23 VAL 11 2HG2 VAL 11 4.926 1.125 5.788 97 H VAL 12 H VAL 12 2.815 4.633 6.010 98 HA VAL 12 HA VAL 12 3.001 6.932 4.340 99 HB VAL 12 HB VAL 12 1.141 7.270 6.539 100 HG11 VAL 12 1HG1 VAL 12 0.580 6.752 3.626 101 HG12 VAL 12 2HG1 VAL 12 1.096 8.318 4.254 102 HG13 VAL 12 3HG1 VAL 12 -0.429 7.613 4.789 103 HG21 VAL 12 3HG2 VAL 12 1.232 4.617 5.156 104 HG22 VAL 12 1HG2 VAL 12 -0.307 5.300 5.680 105 HG23 VAL 12 2HG2 VAL 12 0.962 4.980 6.862 106 H LYS 13 H LYS 13 3.252 6.438 7.843 107 HA LYS 13 HA LYS 13 3.700 9.065 8.615 108 HB2 LYS 13 2HB LYS 13 4.415 8.212 10.670 109 HB3 LYS 13 1HB LYS 13 3.362 6.948 10.050 110 HG2 LYS 13 2HG LYS 13 5.178 5.570 9.473 111 HG3 LYS 13 1HG LYS 13 6.340 6.890 9.672 112 HD2 LYS 13 2HD LYS 13 6.024 5.047 11.534 113 HD3 LYS 13 1HD LYS 13 6.330 6.734 11.957 114 HE2 LYS 13 2HE LYS 13 4.052 7.124 12.448 115 HE3 LYS 13 1HE LYS 13 3.553 5.613 11.689 116 HZ1 LYS 13 3HZ LYS 13 4.240 4.382 13.474 117 HZ2 LYS 13 1HZ LYS 13 3.751 5.797 14.264 118 HZ3 LYS 13 2HZ LYS 13 5.393 5.514 13.974 119 H ASN 14 H ASN 14 6.081 6.574 7.721 120 HA ASN 14 HA ASN 14 8.240 8.461 7.865 121 HB2 ASN 14 2HB ASN 14 8.279 5.621 6.840 122 HB3 ASN 14 1HB ASN 14 9.677 6.595 7.286 123 HD21 ASN 14 1HD2 ASN 14 7.500 4.305 8.319 124 HD22 ASN 14 2HD2 ASN 14 7.790 4.402 10.018 125 H PHE 15 H PHE 15 5.901 7.878 5.621 126 HA PHE 15 HA PHE 15 7.259 7.787 3.180 127 HB2 PHE 15 2HB PHE 15 4.554 8.531 4.082 128 HB3 PHE 15 1HB PHE 15 5.049 9.253 2.560 129 HD1 PHE 15 1HD PHE 15 6.819 6.337 2.659 130 HD2 PHE 15 2HD PHE 15 2.815 7.704 2.245 131 HE1 PHE 15 1HE PHE 15 6.235 4.252 1.490 132 HE2 PHE 15 2HE PHE 15 2.219 5.622 1.080 133 HZ PHE 15 HZ PHE 15 3.930 3.892 0.700 134 H GLU 16 H GLU 16 6.257 10.483 5.174 135 HA GLU 16 HA GLU 16 7.878 12.334 5.329 136 HB2 GLU 16 2HB GLU 16 8.697 13.370 3.330 137 HB3 GLU 16 1HB GLU 16 9.006 11.648 3.213 138 HG2 GLU 16 2HG GLU 16 7.373 13.375 1.548 139 HG3 GLU 16 1HG GLU 16 8.159 11.849 1.169 140 H LYS 17 H LYS 17 4.856 11.630 4.698 141 HA LYS 17 HA LYS 17 3.928 14.253 3.929 142 HB2 LYS 17 2HB LYS 17 2.896 11.611 3.731 143 HB3 LYS 17 1HB LYS 17 1.772 12.569 4.683 144 HG2 LYS 17 2HG LYS 17 1.045 12.780 2.470 145 HG3 LYS 17 1HG LYS 17 1.885 14.290 2.826 146 HD2 LYS 17 2HD LYS 17 3.428 12.043 1.623 147 HD3 LYS 17 1HD LYS 17 2.338 12.970 0.590 148 HE2 LYS 17 2HE LYS 17 4.533 14.135 2.299 149 HE3 LYS 17 1HE LYS 17 4.641 13.844 0.563 150 HZ1 LYS 17 3HZ LYS 17 3.220 15.930 2.012 151 HZ2 LYS 17 1HZ LYS 17 2.433 15.300 0.653 152 HZ3 LYS 17 2HZ LYS 17 3.973 15.983 0.498 153 H VAL 18 H VAL 18 3.580 12.018 6.668 154 HA VAL 18 HA VAL 18 3.819 13.928 8.663 155 HB VAL 18 HB VAL 18 1.215 13.708 9.308 156 HG11 VAL 18 1HG1 VAL 18 2.968 15.727 8.477 157 HG12 VAL 18 2HG1 VAL 18 1.430 15.918 9.316 158 HG13 VAL 18 3HG1 VAL 18 1.486 15.966 7.554 159 HG21 VAL 18 3HG2 VAL 18 -0.151 13.263 7.612 160 HG22 VAL 18 1HG2 VAL 18 1.264 12.856 6.641 161 HG23 VAL 18 2HG2 VAL 18 0.615 14.495 6.610 162 H ASP 19 H ASP 19 2.777 13.121 10.801 163 HA ASP 19 HA ASP 19 3.644 10.469 11.217 164 HB2 ASP 19 2HB ASP 19 2.522 12.641 12.843 165 HB3 ASP 19 1HB ASP 19 2.099 11.030 13.417 166 H ALA 20 H ALA 20 2.621 8.630 10.800 167 HA ALA 20 HA ALA 20 0.037 8.469 9.755 168 HB1 ALA 20 1HB ALA 20 1.625 6.280 11.088 169 HB2 ALA 20 2HB ALA 20 1.752 6.756 9.395 170 HB3 ALA 20 3HB ALA 20 0.252 6.057 10.004 171 H SER 21 H SER 21 1.123 8.623 13.009 172 HA SER 21 HA SER 21 -1.085 7.380 14.264 173 HB2 SER 21 2HB SER 21 1.016 9.314 15.225 174 HB3 SER 21 1HB SER 21 -0.278 8.749 16.282 175 HG SER 21 HG SER 21 0.958 6.722 14.932 176 H LYS 22 H LYS 22 -0.695 10.394 12.728 177 HA LYS 22 HA LYS 22 -2.674 11.836 14.201 178 HB2 LYS 22 2HB LYS 22 -2.329 13.594 12.675 179 HB3 LYS 22 1HB LYS 22 -0.757 12.822 12.833 180 HG2 LYS 22 2HG LYS 22 -1.348 11.515 10.743 181 HG3 LYS 22 1HG LYS 22 -2.698 12.637 10.552 182 HD2 LYS 22 2HD LYS 22 0.224 13.375 10.700 183 HD3 LYS 22 1HD LYS 22 -0.773 13.361 9.243 184 HE2 LYS 22 2HE LYS 22 -1.697 14.974 11.563 185 HE3 LYS 22 1HE LYS 22 -0.336 15.580 10.621 186 HZ1 LYS 22 3HZ LYS 22 -2.070 16.492 9.488 187 HZ2 LYS 22 1HZ LYS 22 -3.132 15.217 9.826 188 HZ3 LYS 22 2HZ LYS 22 -1.937 15.032 8.643 189 H VAL 23 H VAL 23 -2.778 9.460 11.777 190 HA VAL 23 HA VAL 23 -5.255 10.284 10.585 191 HB VAL 23 HB VAL 23 -5.060 8.493 9.155 192 HG11 VAL 23 1HG1 VAL 23 -2.511 9.616 10.006 193 HG12 VAL 23 2HG1 VAL 23 -3.153 9.363 8.382 194 HG13 VAL 23 3HG1 VAL 23 -2.348 8.041 9.229 195 HG21 VAL 23 3HG2 VAL 23 -5.143 6.815 11.014 196 HG22 VAL 23 1HG2 VAL 23 -3.391 6.971 11.149 197 HG23 VAL 23 2HG2 VAL 23 -4.110 6.362 9.658 198 H THR 24 H THR 24 -7.232 9.901 11.345 199 HA THR 24 HA THR 24 -7.561 7.853 13.389 200 HB THR 24 HB THR 24 -8.198 10.589 13.474 201 HG1 THR 24 1HG THR 24 -9.436 9.239 15.407 202 HG21 THR 24 3HG2 THR 24 -10.307 10.015 12.298 203 HG22 THR 24 1HG2 THR 24 -10.537 10.679 13.915 204 HG23 THR 24 2HG2 THR 24 -10.707 8.946 13.641 205 HA PRO 25 HA PRO 25 -10.608 5.586 11.196 206 HB2 PRO 25 2HB PRO 25 -12.901 5.856 12.745 207 HB3 PRO 25 1HB PRO 25 -11.620 4.670 13.009 208 HG2 PRO 25 2HG PRO 25 -12.073 7.301 14.345 209 HG3 PRO 25 1HG PRO 25 -11.507 5.771 15.039 210 HD2 PRO 25 2HD PRO 25 -9.809 7.775 14.523 211 HD3 PRO 25 1HD PRO 25 -9.337 6.081 14.266 212 H GLU 26 H GLU 26 -11.756 8.743 12.310 213 HA GLU 26 HA GLU 26 -13.533 8.900 10.003 214 HB2 GLU 26 2HB GLU 26 -14.034 9.530 12.589 215 HB3 GLU 26 1HB GLU 26 -13.537 11.099 11.968 216 HG2 GLU 26 2HG GLU 26 -15.962 9.526 11.428 217 HG3 GLU 26 1HG GLU 26 -15.725 11.273 11.493 218 H SER 27 H SER 27 -10.440 9.613 10.673 219 HA SER 27 HA SER 27 -10.313 12.259 9.575 220 HB2 SER 27 2HB SER 27 -7.875 10.567 9.853 221 HB3 SER 27 1HB SER 27 -8.097 12.280 10.204 222 HG SER 27 HG SER 27 -8.691 11.801 12.171 223 H HIS 28 H HIS 28 -9.933 12.816 7.511 224 HA HIS 28 HA HIS 28 -9.964 10.771 5.508 225 HB2 HIS 28 2HB HIS 28 -10.496 13.610 5.637 226 HB3 HIS 28 1HB HIS 28 -9.472 13.228 4.256 227 HD1 HIS 28 1HD HIS 28 -12.725 11.953 5.773 228 HD2 HIS 28 2HD HIS 28 -10.888 12.472 2.082 229 HE1 HIS 28 1HE HIS 28 -14.444 11.280 4.066 230 HE2 HIS 28 2HE HIS 28 -13.340 11.686 1.839 231 H PHE 29 H PHE 29 -8.348 10.279 4.031 232 HA PHE 29 HA PHE 29 -5.691 10.497 4.961 233 HB2 PHE 29 2HB PHE 29 -6.647 8.624 3.556 234 HB3 PHE 29 1HB PHE 29 -6.536 9.711 2.177 235 HD1 PHE 29 2HD PHE 29 -3.987 11.031 2.550 236 HD2 PHE 29 1HD PHE 29 -5.070 6.976 3.260 237 HE1 PHE 29 2HE PHE 29 -1.648 10.350 2.204 238 HE2 PHE 29 1HE PHE 29 -2.733 6.288 2.915 239 HZ PHE 29 HZ PHE 29 -1.019 7.976 2.387 240 H VAL 30 H VAL 30 -6.449 11.280 1.644 241 HA VAL 30 HA VAL 30 -4.484 13.123 1.225 242 HB VAL 30 HB VAL 30 -6.562 14.120 -0.322 243 HG11 VAL 30 1HG1 VAL 30 -4.893 13.724 -1.735 244 HG12 VAL 30 2HG1 VAL 30 -5.407 12.038 -1.780 245 HG13 VAL 30 3HG1 VAL 30 -4.166 12.551 -0.636 246 HG21 VAL 30 3HG2 VAL 30 -7.988 12.304 0.604 247 HG22 VAL 30 1HG2 VAL 30 -6.877 11.129 -0.099 248 HG23 VAL 30 2HG2 VAL 30 -7.782 12.222 -1.146 249 H LYS 31 H LYS 31 -7.547 13.615 2.762 250 HA LYS 31 HA LYS 31 -7.364 16.470 2.766 251 HB2 LYS 31 2HB LYS 31 -9.200 15.023 4.609 252 HB3 LYS 31 1HB LYS 31 -9.477 16.487 3.675 253 HG2 LYS 31 2HG LYS 31 -9.321 13.706 2.530 254 HG3 LYS 31 1HG LYS 31 -10.809 14.588 2.879 255 HD2 LYS 31 2HD LYS 31 -8.709 15.192 0.817 256 HD3 LYS 31 1HD LYS 31 -10.434 14.906 0.579 257 HE2 LYS 31 2HE LYS 31 -10.491 17.162 0.441 258 HE3 LYS 31 1HE LYS 31 -10.556 17.039 2.198 259 HZ1 LYS 31 3HZ LYS 31 -7.886 17.044 1.103 260 HZ2 LYS 31 1HZ LYS 31 -8.523 17.911 2.410 261 HZ3 LYS 31 2HZ LYS 31 -8.744 18.476 0.831 262 H ASP 32 H ASP 32 -6.219 13.935 4.774 263 HA ASP 32 HA ASP 32 -5.695 15.825 6.926 264 HB2 ASP 32 2HB ASP 32 -7.049 13.745 7.433 265 HB3 ASP 32 1HB ASP 32 -5.571 12.828 7.161 266 H LEU 33 H LEU 33 -4.138 14.917 4.332 267 HA LEU 33 HA LEU 33 -1.580 15.469 5.344 268 HB2 LEU 33 2HB LEU 33 -0.580 13.179 4.789 269 HB3 LEU 33 1HB LEU 33 -1.418 13.364 6.318 270 HG LEU 33 HG LEU 33 -2.941 12.333 3.966 271 HD11 LEU 33 1HD1 LEU 33 -1.016 10.722 5.632 272 HD12 LEU 33 2HD1 LEU 33 -0.951 10.989 3.890 273 HD13 LEU 33 3HD1 LEU 33 -2.259 10.034 4.588 274 HD21 LEU 33 3HD2 LEU 33 -4.327 12.617 5.791 275 HD22 LEU 33 1HD2 LEU 33 -3.076 12.160 6.946 276 HD23 LEU 33 2HD2 LEU 33 -3.853 10.926 5.953 277 H GLY 34 H GLY 34 -3.560 14.113 2.829 278 HA2 GLY 34 2HA GLY 34 -3.378 14.143 0.534 279 HA3 GLY 34 1HA GLY 34 -2.606 15.699 0.785 280 H LEU 35 H LEU 35 -2.151 12.369 0.045 281 HA LEU 35 HA LEU 35 0.736 12.571 0.092 282 HB2 LEU 35 2HB LEU 35 0.434 10.167 -0.905 283 HB3 LEU 35 1HB LEU 35 0.184 10.469 0.803 284 HG LEU 35 HG LEU 35 -2.232 10.534 0.465 285 HD11 LEU 35 1HD1 LEU 35 -1.437 10.339 -2.401 286 HD12 LEU 35 2HD1 LEU 35 -2.664 11.349 -1.638 287 HD13 LEU 35 3HD1 LEU 35 -2.962 9.628 -1.875 288 HD21 LEU 35 3HD2 LEU 35 -2.511 8.266 0.401 289 HD22 LEU 35 1HD2 LEU 35 -0.770 8.352 0.664 290 HD23 LEU 35 2HD2 LEU 35 -1.404 8.055 -0.954 291 H ASN 36 H ASN 36 1.937 13.105 -1.614 292 HA ASN 36 HA ASN 36 0.814 13.922 -4.051 293 HB2 ASN 36 2HB ASN 36 3.419 13.529 -4.718 294 HB3 ASN 36 1HB ASN 36 2.819 14.951 -3.877 295 HD21 ASN 36 1HD2 ASN 36 2.995 11.792 -2.446 296 HD22 ASN 36 2HD2 ASN 36 4.250 12.150 -1.314 297 H SER 37 H SER 37 1.735 13.039 -6.212 298 HA SER 37 HA SER 37 0.621 10.523 -6.662 299 HB2 SER 37 2HB SER 37 2.619 12.065 -8.325 300 HB3 SER 37 1HB SER 37 1.739 10.644 -8.889 301 H LEU 38 H LEU 38 4.040 11.425 -6.624 302 HA LEU 38 HA LEU 38 5.194 8.971 -7.011 303 HB2 LEU 38 2HB LEU 38 7.171 9.832 -6.117 304 HB3 LEU 38 1HB LEU 38 6.318 11.243 -6.716 305 HG LEU 38 HG LEU 38 7.298 11.756 -4.576 306 HD11 LEU 38 1HD1 LEU 38 5.523 12.919 -3.875 307 HD12 LEU 38 2HD1 LEU 38 4.540 11.476 -3.650 308 HD13 LEU 38 3HD1 LEU 38 4.697 12.196 -5.251 309 HD21 LEU 38 3HD2 LEU 38 6.734 9.102 -3.966 310 HD22 LEU 38 1HD2 LEU 38 5.686 10.042 -2.902 311 HD23 LEU 38 2HD2 LEU 38 7.429 10.313 -2.888 312 H ASP 39 H ASP 39 3.475 10.100 -4.258 313 HA ASP 39 HA ASP 39 4.502 8.223 -2.378 314 HB2 ASP 39 2HB ASP 39 2.333 10.227 -2.445 315 HB3 ASP 39 1HB ASP 39 2.072 8.865 -1.360 316 H VAL 40 H VAL 40 1.086 8.389 -3.058 317 HA VAL 40 HA VAL 40 0.206 5.971 -2.560 318 HB VAL 40 HB VAL 40 -0.697 7.983 -4.281 319 HG11 VAL 40 1HG1 VAL 40 0.218 6.380 -6.077 320 HG12 VAL 40 2HG1 VAL 40 -1.424 6.997 -6.262 321 HG13 VAL 40 3HG1 VAL 40 -1.159 5.362 -5.658 322 HG21 VAL 40 3HG2 VAL 40 -2.775 7.232 -3.664 323 HG22 VAL 40 1HG2 VAL 40 -1.782 6.474 -2.420 324 HG23 VAL 40 2HG2 VAL 40 -2.325 5.534 -3.810 325 H VAL 41 H VAL 41 2.252 6.679 -5.340 326 HA VAL 41 HA VAL 41 2.023 4.156 -6.583 327 HB VAL 41 HB VAL 41 2.945 5.622 -8.061 328 HG11 VAL 41 1HG1 VAL 41 3.512 7.620 -7.270 329 HG12 VAL 41 2HG1 VAL 41 5.106 6.955 -6.911 330 HG13 VAL 41 3HG1 VAL 41 3.852 6.954 -5.672 331 HG21 VAL 41 3HG2 VAL 41 5.433 5.213 -8.237 332 HG22 VAL 41 1HG2 VAL 41 4.414 3.775 -8.182 333 HG23 VAL 41 2HG2 VAL 41 5.295 4.288 -6.742 334 H GLU 42 H GLU 42 4.545 5.475 -4.435 335 HA GLU 42 HA GLU 42 6.029 3.077 -4.314 336 HB2 GLU 42 2HB GLU 42 5.976 5.573 -2.650 337 HB3 GLU 42 1HB GLU 42 6.969 4.200 -2.178 338 HG2 GLU 42 2HG GLU 42 7.732 4.425 -4.728 339 HG3 GLU 42 1HG GLU 42 7.293 6.103 -4.409 340 H VAL 43 H VAL 43 3.466 4.416 -2.364 341 HA VAL 43 HA VAL 43 3.598 2.523 -0.270 342 HB VAL 43 HB VAL 43 2.150 3.931 0.651 343 HG11 VAL 43 1HG1 VAL 43 1.294 5.881 -0.612 344 HG12 VAL 43 2HG1 VAL 43 1.912 5.150 -2.091 345 HG13 VAL 43 3HG1 VAL 43 3.027 5.630 -0.812 346 HG21 VAL 43 3HG2 VAL 43 0.296 2.640 0.286 347 HG22 VAL 43 1HG2 VAL 43 0.397 2.817 -1.460 348 HG23 VAL 43 2HG2 VAL 43 -0.191 4.153 -0.480 349 H VAL 44 H VAL 44 1.803 2.704 -3.269 350 HA VAL 44 HA VAL 44 0.147 0.464 -2.857 351 HB VAL 44 HB VAL 44 -0.112 0.433 -5.327 352 HG11 VAL 44 1HG1 VAL 44 -0.515 3.207 -5.148 353 HG12 VAL 44 2HG1 VAL 44 -0.752 2.565 -3.523 354 HG13 VAL 44 3HG1 VAL 44 -1.692 1.924 -4.870 355 HG21 VAL 44 3HG2 VAL 44 1.710 2.821 -5.402 356 HG22 VAL 44 1HG2 VAL 44 1.059 1.889 -6.751 357 HG23 VAL 44 2HG2 VAL 44 2.294 1.185 -5.708 358 H PHE 45 H PHE 45 3.330 0.848 -4.353 359 HA PHE 45 HA PHE 45 3.588 -1.884 -5.098 360 HB2 PHE 45 2HB PHE 45 5.447 0.460 -4.944 361 HB3 PHE 45 1HB PHE 45 6.113 -1.156 -5.152 362 HD1 PHE 45 2HD PHE 45 5.303 -2.534 -7.123 363 HD2 PHE 45 1HD PHE 45 4.603 1.650 -6.768 364 HE1 PHE 45 2HE PHE 45 4.882 -2.402 -9.543 365 HE2 PHE 45 1HE PHE 45 4.179 1.789 -9.186 366 HZ PHE 45 HZ PHE 45 4.319 -0.239 -10.578 367 H ALA 46 H ALA 46 4.180 -0.052 -2.239 368 HA ALA 46 HA ALA 46 5.896 -1.913 -0.952 369 HB1 ALA 46 1HB ALA 46 4.420 0.527 -0.116 370 HB2 ALA 46 2HB ALA 46 6.149 0.183 -0.058 371 HB3 ALA 46 3HB ALA 46 5.063 -0.552 1.121 372 H ILE 47 H ILE 47 2.724 -0.872 0.162 373 HA ILE 47 HA ILE 47 2.135 -3.010 1.774 374 HB ILE 47 HB ILE 47 -0.290 -2.499 1.333 375 HG12 ILE 47 2HG1 ILE 47 0.979 -0.951 -0.841 376 HG13 ILE 47 1HG1 ILE 47 -0.626 -1.661 -0.755 377 HG21 ILE 47 1HG2 ILE 47 0.756 -1.387 3.135 378 HG22 ILE 47 2HG2 ILE 47 -0.106 -0.142 2.231 379 HG23 ILE 47 3HG2 ILE 47 1.641 -0.309 2.055 380 HD11 ILE 47 3HD1 ILE 47 -1.465 0.347 -0.420 381 HD12 ILE 47 1HD1 ILE 47 0.154 1.039 -0.397 382 HD13 ILE 47 2HD1 ILE 47 -0.572 0.454 1.097 383 H GLU 48 H GLU 48 1.573 -2.698 -1.712 384 HA GLU 48 HA GLU 48 0.109 -5.024 -2.125 385 HB2 GLU 48 2HB GLU 48 1.966 -3.414 -3.829 386 HB3 GLU 48 1HB GLU 48 1.405 -4.972 -4.421 387 HG2 GLU 48 2HG GLU 48 0.098 -2.492 -4.558 388 HG3 GLU 48 1HG GLU 48 -0.498 -4.068 -5.077 389 H GLN 49 H GLN 49 3.534 -4.518 -1.728 390 HA GLN 49 HA GLN 49 4.441 -7.067 -2.483 391 HB2 GLN 49 2HB GLN 49 5.561 -4.707 -1.363 392 HB3 GLN 49 1HB GLN 49 6.035 -6.050 -0.332 393 HG2 GLN 49 2HG GLN 49 7.496 -5.345 -2.380 394 HG3 GLN 49 1HG GLN 49 7.287 -7.045 -1.959 395 HE21 GLN 49 1HE2 GLN 49 5.612 -4.549 -3.853 396 HE22 GLN 49 2HE2 GLN 49 5.293 -5.560 -5.218 397 H GLU 50 H GLU 50 3.349 -5.769 0.623 398 HA GLU 50 HA GLU 50 3.422 -8.468 1.718 399 HB2 GLU 50 2HB GLU 50 4.034 -7.623 3.712 400 HB3 GLU 50 1HB GLU 50 4.461 -6.190 2.787 401 HG2 GLU 50 2HG GLU 50 3.146 -5.132 4.250 402 HG3 GLU 50 1HG GLU 50 1.833 -5.735 3.239 403 H PHE 51 H PHE 51 1.347 -7.607 -0.044 404 HA PHE 51 HA PHE 51 -0.927 -7.924 1.734 405 HB2 PHE 51 2HB PHE 51 -0.408 -5.678 -0.068 406 HB3 PHE 51 1HB PHE 51 -1.998 -6.400 -0.281 407 HD1 PHE 51 2HD PHE 51 -3.530 -6.568 1.695 408 HD2 PHE 51 1HD PHE 51 0.060 -4.285 1.764 409 HE1 PHE 51 2HE PHE 51 -4.365 -5.322 3.645 410 HE2 PHE 51 1HE PHE 51 -0.767 -3.036 3.715 411 HZ PHE 51 HZ PHE 51 -2.982 -3.553 4.657 412 H ILE 52 H ILE 52 0.707 -8.857 -1.084 413 HA ILE 52 HA ILE 52 0.234 -10.260 -2.808 414 HB ILE 52 HB ILE 52 -1.319 -12.172 -2.233 415 HG12 ILE 52 2HG1 ILE 52 -1.744 -12.373 0.270 416 HG13 ILE 52 1HG1 ILE 52 -1.442 -10.647 0.337 417 HG21 ILE 52 1HG2 ILE 52 0.322 -13.280 -1.015 418 HG22 ILE 52 2HG2 ILE 52 0.788 -11.820 -0.142 419 HG23 ILE 52 3HG2 ILE 52 1.211 -12.002 -1.844 420 HD11 ILE 52 3HD1 ILE 52 -3.624 -12.041 -1.175 421 HD12 ILE 52 1HD1 ILE 52 -3.278 -10.317 -1.297 422 HD13 ILE 52 2HD1 ILE 52 -3.796 -11.005 0.241 423 H LEU 53 H LEU 53 -1.102 -7.870 -3.038 424 HA LEU 53 HA LEU 53 -3.122 -8.509 -4.893 425 HB2 LEU 53 2HB LEU 53 -4.491 -8.948 -2.952 426 HB3 LEU 53 1HB LEU 53 -4.043 -7.411 -2.238 427 HG LEU 53 HG LEU 53 -6.364 -7.644 -3.348 428 HD11 LEU 53 1HD1 LEU 53 -4.474 -5.369 -3.905 429 HD12 LEU 53 2HD1 LEU 53 -5.601 -5.534 -2.558 430 HD13 LEU 53 3HD1 LEU 53 -6.212 -5.292 -4.195 431 HD21 LEU 53 3HD2 LEU 53 -4.722 -8.262 -5.550 432 HD22 LEU 53 1HD2 LEU 53 -5.437 -6.683 -5.873 433 HD23 LEU 53 2HD2 LEU 53 -6.474 -8.066 -5.522 434 H ASP 54 H ASP 54 -3.709 -6.728 -6.147 435 HA ASP 54 HA ASP 54 -1.933 -4.494 -5.951 436 HB2 ASP 54 2HB ASP 54 -3.437 -5.751 -8.005 437 HB3 ASP 54 1HB ASP 54 -3.938 -4.063 -7.937 438 H ILE 55 H ILE 55 -2.436 -2.370 -5.534 439 HA ILE 55 HA ILE 55 -5.071 -1.900 -4.350 440 HB ILE 55 HB ILE 55 -2.371 -0.788 -3.682 441 HG12 ILE 55 2HG1 ILE 55 -2.614 -2.278 -2.024 442 HG13 ILE 55 1HG1 ILE 55 -3.896 -1.253 -1.388 443 HG21 ILE 55 1HG2 ILE 55 -4.148 1.034 -4.033 444 HG22 ILE 55 2HG2 ILE 55 -3.247 1.031 -2.517 445 HG23 ILE 55 3HG2 ILE 55 -4.890 0.392 -2.567 446 HD11 ILE 55 3HD1 ILE 55 -5.569 -2.568 -2.292 447 HD12 ILE 55 1HD1 ILE 55 -4.364 -3.750 -1.782 448 HD13 ILE 55 2HD1 ILE 55 -4.490 -3.297 -3.481 449 HA PRO 56 HA PRO 56 -3.596 2.128 -6.923 450 HB2 PRO 56 2HB PRO 56 -2.404 0.413 -9.063 451 HB3 PRO 56 1HB PRO 56 -1.959 2.047 -8.554 452 HG2 PRO 56 2HG PRO 56 -0.490 -0.036 -7.805 453 HG3 PRO 56 1HG PRO 56 -0.817 1.292 -6.676 454 HD2 PRO 56 2HD PRO 56 -1.982 -1.447 -6.771 455 HD3 PRO 56 1HD PRO 56 -1.633 -0.416 -5.368 456 H ASP 57 H ASP 57 -3.942 2.147 -9.699 457 HA ASP 57 HA ASP 57 -5.499 1.943 -11.353 458 HB2 ASP 57 2HB ASP 57 -6.305 -0.448 -9.697 459 HB3 ASP 57 1HB ASP 57 -7.151 0.006 -11.173 460 H HIS 58 H HIS 58 -7.833 2.306 -11.751 461 HA HIS 58 HA HIS 58 -8.945 4.383 -10.553 462 HB2 HIS 58 2HB HIS 58 -11.177 2.697 -10.853 463 HB3 HIS 58 1HB HIS 58 -10.544 3.850 -12.023 464 HD1 HIS 58 1HD HIS 58 -10.891 0.237 -11.360 465 HD2 HIS 58 2HD HIS 58 -8.842 2.693 -14.012 466 HE1 HIS 58 1HE HIS 58 -10.104 -1.277 -13.207 467 HE2 HIS 58 2HE HIS 58 -8.792 0.216 -14.755 468 H ASP 59 H ASP 59 -8.768 1.211 -9.136 469 HA ASP 59 HA ASP 59 -10.655 1.580 -7.071 470 HB2 ASP 59 2HB ASP 59 -8.456 -0.336 -7.641 471 HB3 ASP 59 1HB ASP 59 -9.010 -0.227 -5.973 472 H ALA 60 H ALA 60 -7.142 2.061 -7.202 473 HA ALA 60 HA ALA 60 -6.877 2.848 -4.496 474 HB1 ALA 60 1HB ALA 60 -5.036 3.555 -6.770 475 HB2 ALA 60 2HB ALA 60 -5.022 2.004 -5.934 476 HB3 ALA 60 3HB ALA 60 -4.640 3.482 -5.053 477 H GLU 61 H GLU 61 -7.675 4.530 -7.420 478 HA GLU 61 HA GLU 61 -7.256 7.156 -6.361 479 HB2 GLU 61 2HB GLU 61 -8.755 6.240 -8.820 480 HB3 GLU 61 1HB GLU 61 -8.382 7.914 -8.432 481 HG2 GLU 61 2HG GLU 61 -6.505 5.710 -9.199 482 HG3 GLU 61 1HG GLU 61 -6.765 7.266 -9.989 483 H LYS 62 H LYS 62 -9.899 4.898 -6.522 484 HA LYS 62 HA LYS 62 -11.964 6.771 -5.944 485 HB2 LYS 62 2HB LYS 62 -12.014 3.794 -5.450 486 HB3 LYS 62 1HB LYS 62 -13.394 4.862 -5.669 487 HG2 LYS 62 2HG LYS 62 -11.732 5.118 -7.949 488 HG3 LYS 62 1HG LYS 62 -11.956 3.398 -7.623 489 HD2 LYS 62 2HD LYS 62 -14.410 4.954 -7.354 490 HD3 LYS 62 1HD LYS 62 -13.715 5.022 -8.975 491 HE2 LYS 62 2HE LYS 62 -13.843 2.698 -9.248 492 HE3 LYS 62 1HE LYS 62 -14.064 2.421 -7.521 493 HZ1 LYS 62 3HZ LYS 62 -16.027 2.751 -9.487 494 HZ2 LYS 62 1HZ LYS 62 -16.146 4.058 -8.421 495 HZ3 LYS 62 2HZ LYS 62 -16.240 2.475 -7.831 496 H ILE 63 H ILE 63 -9.436 5.926 -4.107 497 HA ILE 63 HA ILE 63 -10.943 5.884 -1.602 498 HB ILE 63 HB ILE 63 -8.867 4.269 -2.387 499 HG12 ILE 63 2HG1 ILE 63 -8.935 4.539 0.497 500 HG13 ILE 63 1HG1 ILE 63 -10.560 4.608 -0.179 501 HG21 ILE 63 1HG2 ILE 63 -7.723 6.238 -0.416 502 HG22 ILE 63 2HG2 ILE 63 -7.345 6.234 -2.139 503 HG23 ILE 63 3HG2 ILE 63 -6.915 4.846 -1.138 504 HD11 ILE 63 3HD1 ILE 63 -9.726 2.333 0.492 505 HD12 ILE 63 1HD1 ILE 63 -8.606 2.437 -0.866 506 HD13 ILE 63 2HD1 ILE 63 -10.345 2.474 -1.153 507 H GLN 64 H GLN 64 -11.040 7.701 -0.460 508 HA GLN 64 HA GLN 64 -8.949 9.696 -0.835 509 HB2 GLN 64 2HB GLN 64 -11.855 10.170 -0.185 510 HB3 GLN 64 1HB GLN 64 -10.632 11.421 -0.350 511 HG2 GLN 64 2HG GLN 64 -11.362 11.568 -2.450 512 HG3 GLN 64 1HG GLN 64 -10.388 10.123 -2.722 513 HE21 GLN 64 1HE2 GLN 64 -11.507 8.040 -2.396 514 HE22 GLN 64 2HE2 GLN 64 -13.163 7.923 -2.874 515 H SER 65 H SER 65 -11.061 8.080 1.439 516 HA SER 65 HA SER 65 -9.858 9.477 3.696 517 HB2 SER 65 2HB SER 65 -11.557 8.498 5.044 518 HB3 SER 65 1HB SER 65 -12.347 8.957 3.535 519 HG SER 65 HG SER 65 -11.357 6.465 3.342 520 H ILE 66 H ILE 66 -8.535 8.554 5.201 521 HA ILE 66 HA ILE 66 -6.798 6.530 4.447 522 HB ILE 66 HB ILE 66 -6.528 6.372 7.108 523 HG12 ILE 66 2HG1 ILE 66 -7.243 9.218 7.056 524 HG13 ILE 66 1HG1 ILE 66 -8.627 8.139 6.933 525 HG21 ILE 66 1HG2 ILE 66 -5.131 7.453 5.095 526 HG22 ILE 66 2HG2 ILE 66 -4.672 7.624 6.790 527 HG23 ILE 66 3HG2 ILE 66 -5.552 8.919 5.978 528 HD11 ILE 66 3HD1 ILE 66 -6.586 7.648 9.041 529 HD12 ILE 66 1HD1 ILE 66 -8.309 7.273 9.028 530 HD13 ILE 66 2HD1 ILE 66 -7.772 8.936 9.255 531 HA PRO 67 HA PRO 67 -9.633 3.696 7.384 532 HB2 PRO 67 2HB PRO 67 -12.277 4.166 6.617 533 HB3 PRO 67 1HB PRO 67 -11.537 4.673 8.136 534 HG2 PRO 67 2HG PRO 67 -11.997 6.232 5.636 535 HG3 PRO 67 1HG PRO 67 -12.100 6.758 7.326 536 HD2 PRO 67 2HD PRO 67 -10.006 7.405 5.794 537 HD3 PRO 67 1HD PRO 67 -9.799 7.017 7.515 538 H ASP 68 H ASP 68 -11.971 4.221 4.836 539 HA ASP 68 HA ASP 68 -12.124 1.726 3.840 540 HB2 ASP 68 2HB ASP 68 -12.746 4.359 2.843 541 HB3 ASP 68 1HB ASP 68 -12.192 3.329 1.526 542 H ALA 69 H ALA 69 -9.437 3.835 3.527 543 HA ALA 69 HA ALA 69 -8.205 2.768 1.240 544 HB1 ALA 69 1HB ALA 69 -7.548 4.645 3.301 545 HB2 ALA 69 2HB ALA 69 -6.910 4.516 1.662 546 HB3 ALA 69 3HB ALA 69 -6.168 3.596 2.972 547 H VAL 70 H VAL 70 -6.505 2.459 4.259 548 HA VAL 70 HA VAL 70 -5.428 -0.060 3.597 549 HB VAL 70 HB VAL 70 -4.273 1.496 5.097 550 HG11 VAL 70 1HG1 VAL 70 -5.797 2.548 6.443 551 HG12 VAL 70 2HG1 VAL 70 -5.166 1.345 7.568 552 HG13 VAL 70 3HG1 VAL 70 -6.707 1.071 6.755 553 HG21 VAL 70 3HG2 VAL 70 -4.932 -1.244 6.129 554 HG22 VAL 70 1HG2 VAL 70 -3.772 -0.200 6.951 555 HG23 VAL 70 2HG2 VAL 70 -3.484 -0.699 5.284 556 H GLU 71 H GLU 71 -8.409 0.828 4.977 557 HA GLU 71 HA GLU 71 -8.896 -1.440 6.590 558 HB2 GLU 71 2HB GLU 71 -10.727 0.550 5.260 559 HB3 GLU 71 1HB GLU 71 -11.331 -0.764 6.259 560 HG2 GLU 71 2HG GLU 71 -9.249 1.060 7.357 561 HG3 GLU 71 1HG GLU 71 -10.924 1.605 7.269 562 H TYR 72 H TYR 72 -9.976 -0.619 3.296 563 HA TYR 72 HA TYR 72 -11.226 -3.083 2.785 564 HB2 TYR 72 2HB TYR 72 -11.714 -2.211 0.746 565 HB3 TYR 72 1HB TYR 72 -11.157 -0.716 1.490 566 HD1 TYR 72 2HD TYR 72 -9.787 -3.654 -0.370 567 HD2 TYR 72 1HD TYR 72 -9.574 0.530 0.363 568 HE1 TYR 72 2HE TYR 72 -8.059 -3.444 -2.109 569 HE2 TYR 72 1HE TYR 72 -7.847 0.753 -1.374 570 HH TYR 72 HH TYR 72 -6.067 -0.896 -2.423 571 H ILE 73 H ILE 73 -7.959 -1.941 2.254 572 HA ILE 73 HA ILE 73 -7.056 -4.163 0.774 573 HB ILE 73 HB ILE 73 -5.491 -2.232 2.432 574 HG12 ILE 73 2HG1 ILE 73 -5.185 -1.992 -0.426 575 HG13 ILE 73 1HG1 ILE 73 -6.883 -1.871 0.023 576 HG21 ILE 73 1HG2 ILE 73 -4.081 -3.468 0.232 577 HG22 ILE 73 2HG2 ILE 73 -4.634 -4.653 1.416 578 HG23 ILE 73 3HG2 ILE 73 -3.611 -3.309 1.924 579 HD11 ILE 73 3HD1 ILE 73 -4.646 -0.033 0.548 580 HD12 ILE 73 1HD1 ILE 73 -5.818 -0.229 1.852 581 HD13 ILE 73 2HD1 ILE 73 -6.354 0.301 0.257 582 H ALA 74 H ALA 74 -6.936 -3.362 4.187 583 HA ALA 74 HA ALA 74 -5.389 -5.462 5.118 584 HB1 ALA 74 1HB ALA 74 -6.694 -3.380 6.282 585 HB2 ALA 74 2HB ALA 74 -5.887 -4.680 7.160 586 HB3 ALA 74 3HB ALA 74 -7.625 -4.757 6.872 587 H GLN 75 H GLN 75 -8.814 -5.357 4.399 588 HA GLN 75 HA GLN 75 -9.299 -8.012 5.349 589 HB2 GLN 75 2HB GLN 75 -11.553 -7.672 4.274 590 HB3 GLN 75 1HB GLN 75 -11.128 -6.495 5.508 591 HG2 GLN 75 2HG GLN 75 -10.326 -5.027 3.582 592 HG3 GLN 75 1HG GLN 75 -11.203 -6.143 2.535 593 HE21 GLN 75 1HE2 GLN 75 -11.419 -3.490 4.650 594 HE22 GLN 75 2HE2 GLN 75 -13.135 -3.303 4.621 595 H ASN 76 H ASN 76 -8.235 -6.568 2.438 596 HA ASN 76 HA ASN 76 -9.117 -8.365 0.508 597 HB2 ASN 76 2HB ASN 76 -7.003 -6.360 0.735 598 HB3 ASN 76 1HB ASN 76 -6.564 -7.695 -0.324 599 HD21 ASN 76 1HD2 ASN 76 -8.535 -4.934 0.114 600 HD22 ASN 76 2HD2 ASN 76 -9.282 -4.939 -1.444 601 HA PRO 77 HA PRO 77 -5.303 -11.115 1.323 602 HB2 PRO 77 2HB PRO 77 -3.510 -10.460 3.202 603 HB3 PRO 77 1HB PRO 77 -3.478 -9.715 1.599 604 HG2 PRO 77 2HG PRO 77 -4.550 -8.628 4.171 605 HG3 PRO 77 1HG PRO 77 -3.605 -7.807 2.917 606 HD2 PRO 77 2HD PRO 77 -6.339 -7.621 3.164 607 HD3 PRO 77 1HD PRO 77 -5.455 -7.369 1.645 608 H MET 78 H MET 78 -6.650 -9.625 4.216 609 HA MET 78 HA MET 78 -6.314 -11.912 5.883 610 HB2 MET 78 2HB MET 78 -6.760 -9.325 6.415 611 HB3 MET 78 1HB MET 78 -8.414 -9.913 6.516 612 HG2 MET 78 2HG MET 78 -7.946 -11.301 8.317 613 HG3 MET 78 1HG MET 78 -6.211 -11.282 8.004 614 HE1 MET 78 3HE MET 78 -8.333 -7.443 8.931 615 HE2 MET 78 1HE MET 78 -9.105 -8.713 9.881 616 HE3 MET 78 2HE MET 78 -8.997 -8.866 8.127 617 H ALA 79 H ALA 79 -8.334 -11.371 3.314 618 HA ALA 79 HA ALA 79 -10.129 -13.466 4.206 619 HB1 ALA 79 1HB ALA 79 -10.903 -10.757 3.942 620 HB2 ALA 79 2HB ALA 79 -11.908 -12.151 4.333 621 HB3 ALA 79 3HB ALA 79 -11.680 -11.675 2.651 622 H LYS 80 H LYS 80 -7.941 -12.564 2.035 623 HA LYS 80 HA LYS 80 -8.576 -12.695 -0.495 624 HB2 LYS 80 2HB LYS 80 -6.866 -14.991 -0.092 625 HB3 LYS 80 1HB LYS 80 -6.485 -13.427 -0.799 626 HG2 LYS 80 2HG LYS 80 -6.263 -12.551 1.556 627 HG3 LYS 80 1HG LYS 80 -6.348 -14.229 2.092 628 HD2 LYS 80 2HD LYS 80 -4.155 -12.767 0.811 629 HD3 LYS 80 1HD LYS 80 -4.114 -14.190 1.854 630 HE2 LYS 80 2HE LYS 80 -4.979 -14.282 -1.028 631 HE3 LYS 80 1HE LYS 80 -3.310 -14.531 -0.516 632 HZ1 LYS 80 3HZ LYS 80 -5.640 -16.157 0.353 633 HZ2 LYS 80 1HZ LYS 80 -4.033 -16.402 0.824 634 HZ3 LYS 80 2HZ LYS 80 -4.485 -16.626 -0.790 635 H282 PNS 101 8H2 PNS 101 1.555 14.000 -7.658 636 H281 PNS 101 9H2 PNS 101 1.536 15.619 -8.365 637 H303 PNS 101 0H3 PNS 101 4.129 16.581 -6.491 638 H302 PNS 101 1H3 PNS 101 3.286 15.310 -5.605 639 H301 PNS 101 2H3 PNS 101 2.374 16.442 -6.604 640 H313 PNS 101 3H3 PNS 101 4.694 13.854 -6.383 641 H312 PNS 101 4H3 PNS 101 4.676 13.267 -8.047 642 H311 PNS 101 5H3 PNS 101 3.295 12.968 -6.992 643 H32 PNS 101 6H3 PNS 101 3.594 15.792 -9.508 644 H33 PNS 101 7H3 PNS 101 5.619 17.055 -8.330 645 H36 PNS 101 8H3 PNS 101 6.295 14.628 -7.842 646 H372 PNS 101 9H3 PNS 101 7.256 13.285 -10.263 647 H371 PNS 101 0H4 PNS 101 7.817 12.998 -8.616 648 H382 PNS 101 1H4 PNS 101 9.037 15.034 -8.586 649 H381 PNS 101 2H4 PNS 101 9.436 14.208 -10.093 650 H41 PNS 101 3H4 PNS 101 7.238 14.637 -11.449 651 H422 PNS 101 4H4 PNS 101 7.626 17.041 -12.803 652 H421 PNS 101 5H4 PNS 101 6.222 15.988 -12.963 653 H431 PNS 101 7H4 PNS 101 4.992 17.166 -11.403 654 H432 PNS 101 6H4 PNS 101 6.433 17.816 -10.607 655 H44 PNS 101 8H4 PNS 101 6.398 18.979 -13.317 Start of MODEL 11 1 H1 MET 1 1HT MET 1 -4.450 -10.404 10.035 2 H2 MET 1 2HT MET 1 -3.115 -9.327 10.089 3 H3 MET 1 3HT MET 1 -3.821 -9.746 8.582 4 HA MET 1 HA MET 1 -5.351 -8.228 8.740 5 HB2 MET 1 2HB MET 1 -6.642 -9.593 10.239 6 HB3 MET 1 1HB MET 1 -5.607 -9.175 11.598 7 HG2 MET 1 2HG MET 1 -6.595 -7.162 11.916 8 HG3 MET 1 1HG MET 1 -6.969 -6.949 10.207 9 HE1 MET 1 2HE MET 1 -8.271 -7.719 13.637 10 HE2 MET 1 3HE MET 1 -7.869 -9.386 13.226 11 HE3 MET 1 1HE MET 1 -9.556 -8.908 13.419 12 H ASN 2 H ASN 2 -3.719 -8.099 11.914 13 HA ASN 2 HA ASN 2 -3.530 -5.265 11.868 14 HB2 ASN 2 2HB ASN 2 -1.705 -6.020 13.752 15 HB3 ASN 2 1HB ASN 2 -3.430 -5.815 14.052 16 HD21 ASN 2 1HD2 ASN 2 -1.190 -8.262 12.788 17 HD22 ASN 2 2HD2 ASN 2 -1.921 -9.597 13.604 18 H ASP 3 H ASP 3 -1.436 -7.871 10.928 19 HA ASP 3 HA ASP 3 1.029 -6.655 10.874 20 HB2 ASP 3 2HB ASP 3 0.298 -8.376 8.555 21 HB3 ASP 3 1HB ASP 3 1.740 -8.408 9.568 22 H VAL 4 H VAL 4 -1.591 -6.334 8.572 23 HA VAL 4 HA VAL 4 -0.092 -4.924 6.613 24 HB VAL 4 HB VAL 4 -2.363 -4.235 5.740 25 HG11 VAL 4 1HG1 VAL 4 -0.988 -6.403 5.251 26 HG12 VAL 4 2HG1 VAL 4 -2.643 -6.251 4.665 27 HG13 VAL 4 3HG1 VAL 4 -2.306 -7.195 6.115 28 HG21 VAL 4 3HG2 VAL 4 -4.331 -5.096 6.689 29 HG22 VAL 4 1HG2 VAL 4 -3.415 -4.452 8.051 30 HG23 VAL 4 2HG2 VAL 4 -3.442 -6.189 7.750 31 H LEU 5 H LEU 5 -2.332 -3.852 9.156 32 HA LEU 5 HA LEU 5 -2.129 -1.110 8.559 33 HB2 LEU 5 2HB LEU 5 -2.774 -2.181 11.259 34 HB3 LEU 5 1HB LEU 5 -3.350 -0.709 10.515 35 HG LEU 5 HG LEU 5 -5.233 -1.935 10.253 36 HD11 LEU 5 1HD1 LEU 5 -3.483 -2.309 7.939 37 HD12 LEU 5 2HD1 LEU 5 -5.147 -1.732 8.028 38 HD13 LEU 5 3HD1 LEU 5 -4.812 -3.463 8.039 39 HD21 LEU 5 3HD2 LEU 5 -4.757 -3.849 11.466 40 HD22 LEU 5 1HD2 LEU 5 -3.420 -4.309 10.411 41 HD23 LEU 5 2HD2 LEU 5 -5.085 -4.483 9.854 42 H THR 6 H THR 6 -0.314 -3.236 10.636 43 HA THR 6 HA THR 6 1.040 -1.303 12.138 44 HB THR 6 HB THR 6 1.012 -4.088 11.982 45 HG1 THR 6 1HG THR 6 2.685 -2.496 13.619 46 HG21 THR 6 3HG2 THR 6 3.549 -4.439 12.301 47 HG22 THR 6 1HG2 THR 6 3.700 -2.989 11.306 48 HG23 THR 6 2HG2 THR 6 2.878 -4.415 10.669 49 H ARG 7 H ARG 7 2.229 -3.134 9.351 50 HA ARG 7 HA ARG 7 4.537 -1.482 9.080 51 HB2 ARG 7 2HB ARG 7 5.269 -2.986 7.503 52 HB3 ARG 7 1HB ARG 7 4.169 -4.000 8.427 53 HG2 ARG 7 2HG ARG 7 3.596 -4.494 6.251 54 HG3 ARG 7 1HG ARG 7 2.409 -3.261 6.681 55 HD2 ARG 7 2HD ARG 7 3.511 -2.994 4.425 56 HD3 ARG 7 1HD ARG 7 3.570 -1.587 5.485 57 HE ARG 7 HE ARG 7 5.872 -1.948 5.799 58 HH11 ARG 7 1HH1 ARG 7 4.434 -4.273 3.643 59 HH12 ARG 7 2HH1 ARG 7 5.950 -4.797 2.989 60 HH21 ARG 7 1HH2 ARG 7 7.874 -2.629 4.945 61 HH22 ARG 7 2HH2 ARG 7 7.906 -3.862 3.729 62 H VAL 8 H VAL 8 1.454 -1.819 7.435 63 HA VAL 8 HA VAL 8 2.006 -0.092 5.287 64 HB VAL 8 HB VAL 8 0.051 -1.770 5.601 65 HG11 VAL 8 1HG1 VAL 8 -2.014 -0.856 6.388 66 HG12 VAL 8 2HG1 VAL 8 -1.282 0.731 6.624 67 HG13 VAL 8 3HG1 VAL 8 -0.801 -0.624 7.645 68 HG21 VAL 8 3HG2 VAL 8 -0.922 0.746 4.366 69 HG22 VAL 8 1HG2 VAL 8 -0.909 -0.901 3.733 70 HG23 VAL 8 2HG2 VAL 8 0.576 0.052 3.744 71 H LEU 9 H LEU 9 0.270 0.489 8.358 72 HA LEU 9 HA LEU 9 -0.233 3.219 7.872 73 HB2 LEU 9 2HB LEU 9 -1.317 3.100 9.811 74 HB3 LEU 9 1HB LEU 9 -0.844 1.420 9.880 75 HG LEU 9 HG LEU 9 1.355 2.735 10.923 76 HD11 LEU 9 1HD1 LEU 9 -0.298 4.745 10.925 77 HD12 LEU 9 2HD1 LEU 9 0.700 4.423 12.344 78 HD13 LEU 9 3HD1 LEU 9 -0.993 3.928 12.325 79 HD21 LEU 9 3HD2 LEU 9 0.729 1.705 12.982 80 HD22 LEU 9 1HD2 LEU 9 0.234 0.634 11.671 81 HD23 LEU 9 2HD2 LEU 9 -0.965 1.632 12.495 82 H GLU 10 H GLU 10 2.420 1.601 9.575 83 HA GLU 10 HA GLU 10 3.759 3.948 10.364 84 HB2 GLU 10 2HB GLU 10 5.598 2.542 10.936 85 HB3 GLU 10 1HB GLU 10 4.129 1.650 11.308 86 HG2 GLU 10 2HG GLU 10 4.541 0.066 9.774 87 HG3 GLU 10 1HG GLU 10 5.212 1.211 8.614 88 H VAL 11 H VAL 11 3.816 2.028 7.473 89 HA VAL 11 HA VAL 11 6.140 2.965 6.289 90 HB VAL 11 HB VAL 11 3.690 1.700 5.324 91 HG11 VAL 11 1HG1 VAL 11 5.614 2.924 3.366 92 HG12 VAL 11 2HG1 VAL 11 4.043 3.617 3.763 93 HG13 VAL 11 3HG1 VAL 11 4.139 2.029 3.001 94 HG21 VAL 11 3HG2 VAL 11 6.269 0.916 4.214 95 HG22 VAL 11 1HG2 VAL 11 5.035 -0.058 5.017 96 HG23 VAL 11 2HG2 VAL 11 6.200 0.857 5.976 97 H VAL 12 H VAL 12 2.839 4.098 5.761 98 HA VAL 12 HA VAL 12 3.541 6.263 4.098 99 HB VAL 12 HB VAL 12 1.296 7.012 4.289 100 HG11 VAL 12 1HG1 VAL 12 0.253 5.201 3.405 101 HG12 VAL 12 2HG1 VAL 12 0.768 4.129 4.707 102 HG13 VAL 12 3HG1 VAL 12 1.896 4.560 3.422 103 HG21 VAL 12 3HG2 VAL 12 1.072 5.301 6.765 104 HG22 VAL 12 1HG2 VAL 12 -0.243 6.208 6.019 105 HG23 VAL 12 2HG2 VAL 12 1.132 7.063 6.719 106 H LYS 13 H LYS 13 2.629 6.202 7.546 107 HA LYS 13 HA LYS 13 2.913 8.918 8.049 108 HB2 LYS 13 2HB LYS 13 2.619 8.397 10.251 109 HB3 LYS 13 1HB LYS 13 2.087 6.882 9.537 110 HG2 LYS 13 2HG LYS 13 3.798 5.725 10.397 111 HG3 LYS 13 1HG LYS 13 4.961 7.026 10.104 112 HD2 LYS 13 2HD LYS 13 2.912 7.030 12.318 113 HD3 LYS 13 1HD LYS 13 4.594 6.531 12.515 114 HE2 LYS 13 2HE LYS 13 4.047 9.189 11.299 115 HE3 LYS 13 1HE LYS 13 3.795 9.003 13.034 116 HZ1 LYS 13 3HZ LYS 13 6.075 9.752 12.278 117 HZ2 LYS 13 1HZ LYS 13 6.314 8.171 11.725 118 HZ3 LYS 13 2HZ LYS 13 6.031 8.459 13.368 119 H ASN 14 H ASN 14 5.346 6.344 8.218 120 HA ASN 14 HA ASN 14 7.406 8.193 8.984 121 HB2 ASN 14 2HB ASN 14 7.655 5.293 8.176 122 HB3 ASN 14 1HB ASN 14 8.888 6.262 8.976 123 HD21 ASN 14 1HD2 ASN 14 6.670 3.952 9.477 124 HD22 ASN 14 2HD2 ASN 14 6.325 4.212 11.149 125 H PHE 15 H PHE 15 5.908 7.537 6.137 126 HA PHE 15 HA PHE 15 8.151 7.448 4.382 127 HB2 PHE 15 2HB PHE 15 5.293 7.238 4.156 128 HB3 PHE 15 1HB PHE 15 5.902 8.375 2.958 129 HD1 PHE 15 2HD PHE 15 7.712 5.430 4.258 130 HD2 PHE 15 1HD PHE 15 5.552 7.114 1.002 131 HE1 PHE 15 2HE PHE 15 8.403 3.547 2.832 132 HE2 PHE 15 1HE PHE 15 6.239 5.236 -0.431 133 HZ PHE 15 HZ PHE 15 7.666 3.449 0.484 134 H GLU 16 H GLU 16 6.400 9.909 5.990 135 HA GLU 16 HA GLU 16 7.295 12.094 6.236 136 HB2 GLU 16 2HB GLU 16 8.763 13.035 4.723 137 HB3 GLU 16 1HB GLU 16 9.111 11.326 4.514 138 HG2 GLU 16 2HG GLU 16 8.670 11.501 2.363 139 HG3 GLU 16 1HG GLU 16 7.022 11.995 2.741 140 H LYS 17 H LYS 17 5.115 10.644 4.179 141 HA LYS 17 HA LYS 17 4.005 12.828 2.802 142 HB2 LYS 17 2HB LYS 17 2.726 10.253 3.728 143 HB3 LYS 17 1HB LYS 17 1.979 11.388 2.613 144 HG2 LYS 17 2HG LYS 17 3.037 10.465 0.905 145 HG3 LYS 17 1HG LYS 17 4.599 10.737 1.680 146 HD2 LYS 17 2HD LYS 17 4.731 8.493 1.697 147 HD3 LYS 17 1HD LYS 17 3.664 8.614 3.098 148 HE2 LYS 17 2HE LYS 17 1.765 8.575 1.330 149 HE3 LYS 17 1HE LYS 17 3.003 7.909 0.265 150 HZ1 LYS 17 3HZ LYS 17 2.353 6.756 2.918 151 HZ2 LYS 17 1HZ LYS 17 3.299 6.066 1.696 152 HZ3 LYS 17 2HZ LYS 17 1.630 6.236 1.480 153 H VAL 18 H VAL 18 3.485 11.565 6.040 154 HA VAL 18 HA VAL 18 2.596 13.959 7.124 155 HB VAL 18 HB VAL 18 0.118 12.904 7.483 156 HG11 VAL 18 1HG1 VAL 18 -0.470 14.529 5.501 157 HG12 VAL 18 2HG1 VAL 18 1.240 14.942 5.625 158 HG13 VAL 18 3HG1 VAL 18 0.180 15.146 7.020 159 HG21 VAL 18 3HG2 VAL 18 -0.756 11.937 5.564 160 HG22 VAL 18 1HG2 VAL 18 0.835 11.186 5.685 161 HG23 VAL 18 2HG2 VAL 18 0.569 12.510 4.551 162 H ASP 19 H ASP 19 2.364 13.824 9.330 163 HA ASP 19 HA ASP 19 3.331 11.485 10.591 164 HB2 ASP 19 2HB ASP 19 2.797 14.208 11.323 165 HB3 ASP 19 1HB ASP 19 2.107 13.135 12.537 166 H ALA 20 H ALA 20 2.284 9.776 11.393 167 HA ALA 20 HA ALA 20 -0.443 9.337 10.900 168 HB1 ALA 20 1HB ALA 20 1.099 7.833 12.985 169 HB2 ALA 20 2HB ALA 20 1.433 7.628 11.265 170 HB3 ALA 20 3HB ALA 20 -0.166 7.247 11.905 171 H SER 21 H SER 21 1.163 10.909 13.488 172 HA SER 21 HA SER 21 -0.752 10.523 15.526 173 HB2 SER 21 2HB SER 21 0.338 12.425 16.641 174 HB3 SER 21 1HB SER 21 1.532 11.296 16.001 175 HG SER 21 HG SER 21 0.723 13.771 14.877 176 H LYS 22 H LYS 22 -0.697 12.499 12.730 177 HA LYS 22 HA LYS 22 -2.782 14.259 13.732 178 HB2 LYS 22 2HB LYS 22 -1.426 15.629 12.526 179 HB3 LYS 22 1HB LYS 22 -0.866 14.328 11.483 180 HG2 LYS 22 2HG LYS 22 -3.660 15.354 11.227 181 HG3 LYS 22 1HG LYS 22 -2.314 16.232 10.496 182 HD2 LYS 22 2HD LYS 22 -2.560 13.296 10.026 183 HD3 LYS 22 1HD LYS 22 -3.617 14.398 9.142 184 HE2 LYS 22 2HE LYS 22 -0.667 14.883 9.243 185 HE3 LYS 22 1HE LYS 22 -1.337 13.708 8.111 186 HZ1 LYS 22 3HZ LYS 22 -1.143 16.422 7.740 187 HZ2 LYS 22 1HZ LYS 22 -2.787 16.154 8.041 188 HZ3 LYS 22 2HZ LYS 22 -2.011 15.332 6.782 189 H VAL 23 H VAL 23 -2.432 11.385 11.966 190 HA VAL 23 HA VAL 23 -4.806 11.660 10.374 191 HB VAL 23 HB VAL 23 -4.418 9.427 9.628 192 HG11 VAL 23 1HG1 VAL 23 -1.980 11.129 9.940 193 HG12 VAL 23 2HG1 VAL 23 -2.938 10.796 8.496 194 HG13 VAL 23 3HG1 VAL 23 -1.870 9.556 9.151 195 HG21 VAL 23 3HG2 VAL 23 -3.285 9.095 12.237 196 HG22 VAL 23 1HG2 VAL 23 -2.129 8.563 11.015 197 HG23 VAL 23 2HG2 VAL 23 -3.748 7.867 11.060 198 H THR 24 H THR 24 -6.822 11.264 11.010 199 HA THR 24 HA THR 24 -7.234 9.722 13.447 200 HB THR 24 HB THR 24 -8.078 12.323 12.808 201 HG1 THR 24 1HG THR 24 -8.362 10.516 14.884 202 HG21 THR 24 3HG2 THR 24 -10.558 10.795 13.344 203 HG22 THR 24 1HG2 THR 24 -9.995 10.912 11.678 204 HG23 THR 24 2HG2 THR 24 -10.335 12.377 12.598 205 HA PRO 25 HA PRO 25 -9.763 6.686 11.540 206 HB2 PRO 25 2HB PRO 25 -12.096 7.559 13.163 207 HB3 PRO 25 1HB PRO 25 -11.348 5.963 13.032 208 HG2 PRO 25 2HG PRO 25 -10.982 7.467 15.202 209 HG3 PRO 25 1HG PRO 25 -9.664 6.484 14.538 210 HD2 PRO 25 2HD PRO 25 -10.120 9.430 14.336 211 HD3 PRO 25 1HD PRO 25 -8.599 8.533 14.523 212 H GLU 26 H GLU 26 -11.333 9.832 11.919 213 HA GLU 26 HA GLU 26 -12.871 9.344 9.485 214 HB2 GLU 26 2HB GLU 26 -14.441 10.891 10.208 215 HB3 GLU 26 1HB GLU 26 -13.926 10.150 11.717 216 HG2 GLU 26 2HG GLU 26 -12.248 12.093 11.853 217 HG3 GLU 26 1HG GLU 26 -13.261 12.854 10.627 218 H SER 27 H SER 27 -9.950 10.361 10.066 219 HA SER 27 HA SER 27 -9.822 12.959 8.955 220 HB2 SER 27 2HB SER 27 -7.775 10.792 9.387 221 HB3 SER 27 1HB SER 27 -7.358 12.315 8.602 222 HG SER 27 HG SER 27 -8.648 12.213 11.116 223 H HIS 28 H HIS 28 -9.645 13.647 6.894 224 HA HIS 28 HA HIS 28 -10.208 11.781 4.795 225 HB2 HIS 28 2HB HIS 28 -9.835 14.773 4.826 226 HB3 HIS 28 1HB HIS 28 -10.161 13.863 3.355 227 HD1 HIS 28 1HD HIS 28 -12.226 11.935 5.032 228 HD2 HIS 28 2HD HIS 28 -12.335 16.063 4.565 229 HE1 HIS 28 1HE HIS 28 -14.621 12.592 5.420 230 HE2 HIS 28 2HE HIS 28 -14.647 15.104 5.217 231 H PHE 29 H PHE 29 -8.899 11.267 3.043 232 HA PHE 29 HA PHE 29 -6.121 11.162 3.553 233 HB2 PHE 29 2HB PHE 29 -7.759 9.702 2.006 234 HB3 PHE 29 1HB PHE 29 -7.083 10.763 0.773 235 HD1 PHE 29 1HD PHE 29 -4.503 10.772 2.880 236 HD2 PHE 29 2HD PHE 29 -6.614 7.973 0.466 237 HE1 PHE 29 1HE PHE 29 -2.494 9.356 2.769 238 HE2 PHE 29 2HE PHE 29 -4.608 6.552 0.352 239 HZ PHE 29 HZ PHE 29 -2.544 7.244 1.504 240 H VAL 30 H VAL 30 -5.613 11.665 0.559 241 HA VAL 30 HA VAL 30 -4.119 13.824 0.498 242 HB VAL 30 HB VAL 30 -4.307 13.916 -1.764 243 HG11 VAL 30 1HG1 VAL 30 -4.743 11.800 -2.628 244 HG12 VAL 30 2HG1 VAL 30 -6.069 11.508 -1.504 245 HG13 VAL 30 3HG1 VAL 30 -4.403 11.483 -0.928 246 HG21 VAL 30 3HG2 VAL 30 -6.815 13.374 -2.691 247 HG22 VAL 30 1HG2 VAL 30 -6.168 14.991 -2.408 248 HG23 VAL 30 2HG2 VAL 30 -7.161 14.209 -1.177 249 H LYS 31 H LYS 31 -7.572 13.929 0.763 250 HA LYS 31 HA LYS 31 -7.961 16.670 0.265 251 HB2 LYS 31 2HB LYS 31 -9.596 14.832 2.021 252 HB3 LYS 31 1HB LYS 31 -10.124 16.382 1.379 253 HG2 LYS 31 2HG LYS 31 -11.081 15.034 -0.162 254 HG3 LYS 31 1HG LYS 31 -9.495 15.200 -0.917 255 HD2 LYS 31 2HD LYS 31 -9.462 13.062 1.003 256 HD3 LYS 31 1HD LYS 31 -10.785 12.831 -0.143 257 HE2 LYS 31 2HE LYS 31 -8.697 13.607 -1.755 258 HE3 LYS 31 1HE LYS 31 -7.902 12.613 -0.535 259 HZ1 LYS 31 3HZ LYS 31 -9.209 11.698 -2.740 260 HZ2 LYS 31 1HZ LYS 31 -10.327 11.437 -1.497 261 HZ3 LYS 31 2HZ LYS 31 -8.776 10.772 -1.393 262 H ASP 32 H ASP 32 -7.583 14.898 3.327 263 HA ASP 32 HA ASP 32 -7.442 17.360 4.809 264 HB2 ASP 32 2HB ASP 32 -8.197 14.732 5.418 265 HB3 ASP 32 1HB ASP 32 -6.727 15.021 6.344 266 H LEU 33 H LEU 33 -5.333 16.110 2.847 267 HA LEU 33 HA LEU 33 -3.105 17.027 2.812 268 HB2 LEU 33 2HB LEU 33 -3.089 16.229 5.725 269 HB3 LEU 33 1HB LEU 33 -1.732 16.915 4.853 270 HG LEU 33 HG LEU 33 -3.817 18.268 6.236 271 HD11 LEU 33 1HD1 LEU 33 -2.402 20.262 5.408 272 HD12 LEU 33 2HD1 LEU 33 -1.336 19.022 4.745 273 HD13 LEU 33 3HD1 LEU 33 -1.659 19.074 6.478 274 HD21 LEU 33 3HD2 LEU 33 -5.231 18.615 4.489 275 HD22 LEU 33 1HD2 LEU 33 -3.959 18.438 3.279 276 HD23 LEU 33 2HD2 LEU 33 -4.106 19.940 4.191 277 H GLY 34 H GLY 34 -4.266 14.586 2.040 278 HA2 GLY 34 2HA GLY 34 -2.857 12.332 3.010 279 HA3 GLY 34 1HA GLY 34 -3.722 12.426 1.484 280 H LEU 35 H LEU 35 -1.621 10.936 1.297 281 HA LEU 35 HA LEU 35 0.842 12.261 0.827 282 HB2 LEU 35 2HB LEU 35 1.629 10.166 -0.007 283 HB3 LEU 35 1HB LEU 35 0.611 9.851 1.386 284 HG LEU 35 HG LEU 35 0.096 9.257 -1.498 285 HD11 LEU 35 1HD1 LEU 35 -0.724 7.126 -0.436 286 HD12 LEU 35 2HD1 LEU 35 -0.095 7.743 1.092 287 HD13 LEU 35 3HD1 LEU 35 0.999 7.455 -0.261 288 HD21 LEU 35 3HD2 LEU 35 -2.090 9.282 0.562 289 HD22 LEU 35 1HD2 LEU 35 -2.226 9.041 -1.179 290 HD23 LEU 35 2HD2 LEU 35 -1.808 10.630 -0.539 291 H ASN 36 H ASN 36 1.922 12.564 -1.191 292 HA ASN 36 HA ASN 36 0.295 13.741 -3.181 293 HB2 ASN 36 2HB ASN 36 2.737 13.401 -4.396 294 HB3 ASN 36 1HB ASN 36 2.288 14.769 -3.387 295 HD21 ASN 36 1HD2 ASN 36 3.766 11.602 -3.348 296 HD22 ASN 36 2HD2 ASN 36 4.794 11.884 -1.989 297 H SER 37 H SER 37 1.058 13.096 -5.614 298 HA SER 37 HA SER 37 -0.282 10.683 -6.163 299 HB2 SER 37 2HB SER 37 1.342 11.364 -8.390 300 HB3 SER 37 1HB SER 37 -0.385 11.648 -8.178 301 H LEU 38 H LEU 38 3.103 11.498 -6.770 302 HA LEU 38 HA LEU 38 4.007 8.966 -7.414 303 HB2 LEU 38 2HB LEU 38 6.192 9.773 -7.112 304 HB3 LEU 38 1HB LEU 38 5.244 11.170 -7.588 305 HG LEU 38 HG LEU 38 6.837 11.717 -5.813 306 HD11 LEU 38 1HD1 LEU 38 3.929 11.819 -5.044 307 HD12 LEU 38 2HD1 LEU 38 4.859 13.046 -5.903 308 HD13 LEU 38 3HD1 LEU 38 5.203 12.706 -4.207 309 HD21 LEU 38 3HD2 LEU 38 6.287 9.252 -4.804 310 HD22 LEU 38 1HD2 LEU 38 5.375 10.295 -3.712 311 HD23 LEU 38 2HD2 LEU 38 7.107 10.542 -3.925 312 H ASP 39 H ASP 39 3.168 10.273 -4.345 313 HA ASP 39 HA ASP 39 4.620 8.457 -2.719 314 HB2 ASP 39 2HB ASP 39 2.758 10.620 -2.331 315 HB3 ASP 39 1HB ASP 39 2.323 9.254 -1.307 316 H VAL 40 H VAL 40 1.122 8.647 -2.676 317 HA VAL 40 HA VAL 40 0.420 6.239 -1.793 318 HB VAL 40 HB VAL 40 -0.958 8.208 -3.106 319 HG11 VAL 40 1HG1 VAL 40 -0.355 6.762 -5.209 320 HG12 VAL 40 2HG1 VAL 40 -1.963 7.464 -5.033 321 HG13 VAL 40 3HG1 VAL 40 -1.695 5.764 -4.646 322 HG21 VAL 40 3HG2 VAL 40 -1.541 5.779 -1.639 323 HG22 VAL 40 1HG2 VAL 40 -2.811 6.168 -2.800 324 HG23 VAL 40 2HG2 VAL 40 -2.338 7.351 -1.580 325 H VAL 41 H VAL 41 1.598 6.866 -5.055 326 HA VAL 41 HA VAL 41 1.078 4.297 -6.101 327 HB VAL 41 HB VAL 41 2.649 4.864 -7.883 328 HG11 VAL 41 1HG1 VAL 41 0.320 6.265 -7.204 329 HG12 VAL 41 2HG1 VAL 41 1.057 6.112 -8.800 330 HG13 VAL 41 3HG1 VAL 41 1.468 7.481 -7.766 331 HG21 VAL 41 3HG2 VAL 41 3.237 7.519 -6.690 332 HG22 VAL 41 1HG2 VAL 41 4.190 6.544 -7.807 333 HG23 VAL 41 2HG2 VAL 41 4.140 6.127 -6.094 334 H GLU 42 H GLU 42 3.872 5.690 -4.447 335 HA GLU 42 HA GLU 42 5.540 3.422 -4.803 336 HB2 GLU 42 2HB GLU 42 5.661 5.939 -3.235 337 HB3 GLU 42 1HB GLU 42 6.677 4.609 -2.694 338 HG2 GLU 42 2HG GLU 42 7.344 4.539 -5.242 339 HG3 GLU 42 1HG GLU 42 6.821 6.221 -5.180 340 H VAL 43 H VAL 43 3.439 4.557 -2.244 341 HA VAL 43 HA VAL 43 4.080 2.546 -0.366 342 HB VAL 43 HB VAL 43 3.004 4.132 0.808 343 HG11 VAL 43 1HG1 VAL 43 1.296 5.650 -0.130 344 HG12 VAL 43 2HG1 VAL 43 1.391 4.765 -1.651 345 HG13 VAL 43 3HG1 VAL 43 2.797 5.646 -1.054 346 HG21 VAL 43 3HG2 VAL 43 1.563 2.187 1.078 347 HG22 VAL 43 1HG2 VAL 43 0.586 2.742 -0.274 348 HG23 VAL 43 2HG2 VAL 43 0.650 3.692 1.205 349 H VAL 44 H VAL 44 1.674 2.820 -2.893 350 HA VAL 44 HA VAL 44 0.128 0.567 -2.237 351 HB VAL 44 HB VAL 44 -0.543 0.560 -4.637 352 HG11 VAL 44 1HG1 VAL 44 -1.014 2.515 -2.678 353 HG12 VAL 44 2HG1 VAL 44 -2.037 2.094 -4.052 354 HG13 VAL 44 3HG1 VAL 44 -0.837 3.377 -4.205 355 HG21 VAL 44 3HG2 VAL 44 0.339 2.103 -6.196 356 HG22 VAL 44 1HG2 VAL 44 1.730 1.331 -5.436 357 HG23 VAL 44 2HG2 VAL 44 1.248 2.956 -4.948 358 H PHE 45 H PHE 45 3.078 0.977 -4.092 359 HA PHE 45 HA PHE 45 3.227 -1.660 -5.104 360 HB2 PHE 45 2HB PHE 45 4.773 0.728 -5.242 361 HB3 PHE 45 1HB PHE 45 5.842 -0.581 -4.748 362 HD1 PHE 45 1HD PHE 45 5.942 -2.648 -6.161 363 HD2 PHE 45 2HD PHE 45 4.065 0.940 -7.457 364 HE1 PHE 45 1HE PHE 45 6.094 -3.421 -8.497 365 HE2 PHE 45 2HE PHE 45 4.210 0.179 -9.796 366 HZ PHE 45 HZ PHE 45 5.226 -2.005 -10.317 367 H ALA 46 H ALA 46 4.190 -0.131 -2.148 368 HA ALA 46 HA ALA 46 5.909 -2.101 -1.132 369 HB1 ALA 46 1HB ALA 46 4.487 -0.869 1.002 370 HB2 ALA 46 2HB ALA 46 4.818 0.342 -0.237 371 HB3 ALA 46 3HB ALA 46 6.143 -0.585 0.467 372 H ILE 47 H ILE 47 2.787 -1.419 0.327 373 HA ILE 47 HA ILE 47 2.394 -3.858 1.532 374 HB ILE 47 HB ILE 47 -0.151 -3.279 1.127 375 HG12 ILE 47 2HG1 ILE 47 1.190 -1.235 -0.343 376 HG13 ILE 47 1HG1 ILE 47 -0.539 -1.451 -0.101 377 HG21 ILE 47 1HG2 ILE 47 -0.120 -2.312 3.185 378 HG22 ILE 47 2HG2 ILE 47 1.238 -1.257 2.794 379 HG23 ILE 47 3HG2 ILE 47 1.520 -2.959 3.163 380 HD11 ILE 47 3HD1 ILE 47 -0.637 0.098 1.562 381 HD12 ILE 47 1HD1 ILE 47 0.695 0.756 0.612 382 HD13 ILE 47 2HD1 ILE 47 1.029 -0.176 2.070 383 H GLU 48 H GLU 48 1.487 -2.867 -1.743 384 HA GLU 48 HA GLU 48 0.011 -5.101 -2.483 385 HB2 GLU 48 2HB GLU 48 -0.011 -3.279 -3.979 386 HB3 GLU 48 1HB GLU 48 1.745 -3.211 -4.051 387 HG2 GLU 48 2HG GLU 48 0.066 -5.440 -5.176 388 HG3 GLU 48 1HG GLU 48 0.709 -4.088 -6.107 389 H GLN 49 H GLN 49 3.458 -4.595 -2.332 390 HA GLN 49 HA GLN 49 4.298 -6.897 -3.703 391 HB2 GLN 49 2HB GLN 49 5.537 -5.079 -1.679 392 HB3 GLN 49 1HB GLN 49 6.338 -6.600 -2.047 393 HG2 GLN 49 2HG GLN 49 5.603 -4.497 -4.071 394 HG3 GLN 49 1HG GLN 49 7.203 -4.715 -3.363 395 HE21 GLN 49 1HE2 GLN 49 6.544 -4.829 -6.130 396 HE22 GLN 49 2HE2 GLN 49 6.919 -6.422 -6.687 397 H GLU 50 H GLU 50 3.783 -6.324 -0.230 398 HA GLU 50 HA GLU 50 3.900 -9.193 0.216 399 HB2 GLU 50 2HB GLU 50 3.565 -7.646 2.623 400 HB3 GLU 50 1HB GLU 50 4.871 -8.734 2.175 401 HG2 GLU 50 2HG GLU 50 5.342 -6.486 0.646 402 HG3 GLU 50 1HG GLU 50 4.780 -5.839 2.187 403 H PHE 51 H PHE 51 1.636 -8.023 -1.064 404 HA PHE 51 HA PHE 51 -0.417 -8.722 0.870 405 HB2 PHE 51 2HB PHE 51 -0.246 -6.265 -0.811 406 HB3 PHE 51 1HB PHE 51 -1.833 -6.950 -0.481 407 HD1 PHE 51 1HD PHE 51 1.243 -6.483 1.583 408 HD2 PHE 51 2HD PHE 51 -2.919 -5.731 1.122 409 HE1 PHE 51 1HE PHE 51 1.212 -5.347 3.765 410 HE2 PHE 51 2HE PHE 51 -2.959 -4.593 3.302 411 HZ PHE 51 HZ PHE 51 -0.892 -4.400 4.627 412 H ILE 52 H ILE 52 0.881 -9.076 -2.248 413 HA ILE 52 HA ILE 52 0.342 -10.401 -4.006 414 HB ILE 52 HB ILE 52 -0.917 -12.319 -3.672 415 HG12 ILE 52 2HG1 ILE 52 -2.771 -10.535 -2.499 416 HG13 ILE 52 1HG1 ILE 52 -3.011 -12.224 -2.917 417 HG21 ILE 52 1HG2 ILE 52 -0.190 -13.212 -1.631 418 HG22 ILE 52 2HG2 ILE 52 -0.290 -11.653 -0.813 419 HG23 ILE 52 3HG2 ILE 52 0.978 -11.944 -2.004 420 HD11 ILE 52 3HD1 ILE 52 -3.556 -11.601 -0.555 421 HD12 ILE 52 1HD1 ILE 52 -1.830 -11.334 -0.307 422 HD13 ILE 52 2HD1 ILE 52 -2.421 -12.939 -0.740 423 H LEU 53 H LEU 53 -0.845 -7.778 -3.705 424 HA LEU 53 HA LEU 53 -2.731 -7.913 -5.814 425 HB2 LEU 53 2HB LEU 53 -3.965 -8.472 -3.539 426 HB3 LEU 53 1HB LEU 53 -3.952 -6.727 -3.370 427 HG LEU 53 HG LEU 53 -5.208 -6.470 -5.426 428 HD11 LEU 53 1HD1 LEU 53 -4.940 -9.461 -5.625 429 HD12 LEU 53 2HD1 LEU 53 -4.362 -8.245 -6.765 430 HD13 LEU 53 3HD1 LEU 53 -6.093 -8.516 -6.566 431 HD21 LEU 53 3HD2 LEU 53 -6.581 -8.642 -3.876 432 HD22 LEU 53 1HD2 LEU 53 -7.286 -7.230 -4.664 433 HD23 LEU 53 2HD2 LEU 53 -6.324 -7.035 -3.198 434 H ASP 54 H ASP 54 -2.754 -6.028 -6.912 435 HA ASP 54 HA ASP 54 -1.047 -3.922 -5.995 436 HB2 ASP 54 2HB ASP 54 -2.736 -3.984 -8.496 437 HB3 ASP 54 1HB ASP 54 -1.341 -2.955 -8.182 438 H ILE 55 H ILE 55 -1.610 -1.836 -5.461 439 HA ILE 55 HA ILE 55 -4.400 -1.453 -4.722 440 HB ILE 55 HB ILE 55 -2.125 0.354 -3.956 441 HG12 ILE 55 2HG1 ILE 55 -1.328 -1.669 -3.109 442 HG13 ILE 55 1HG1 ILE 55 -2.252 -1.024 -1.757 443 HG21 ILE 55 1HG2 ILE 55 -4.860 0.528 -3.595 444 HG22 ILE 55 2HG2 ILE 55 -3.627 1.431 -2.714 445 HG23 ILE 55 3HG2 ILE 55 -4.265 -0.073 -2.047 446 HD11 ILE 55 3HD1 ILE 55 -4.093 -2.513 -3.191 447 HD12 ILE 55 1HD1 ILE 55 -3.290 -2.979 -1.692 448 HD13 ILE 55 2HD1 ILE 55 -2.612 -3.468 -3.244 449 HA PRO 56 HA PRO 56 -2.749 2.369 -7.536 450 HB2 PRO 56 2HB PRO 56 -2.086 0.394 -9.675 451 HB3 PRO 56 1HB PRO 56 -1.351 1.963 -9.328 452 HG2 PRO 56 2HG PRO 56 -0.122 -0.294 -8.634 453 HG3 PRO 56 1HG PRO 56 -0.080 1.129 -7.577 454 HD2 PRO 56 2HD PRO 56 -1.634 -1.394 -7.298 455 HD3 PRO 56 1HD PRO 56 -0.956 -0.340 -6.043 456 H ASP 57 H ASP 57 -3.440 2.263 -10.247 457 HA ASP 57 HA ASP 57 -5.252 2.362 -11.616 458 HB2 ASP 57 2HB ASP 57 -6.693 0.129 -10.335 459 HB3 ASP 57 1HB ASP 57 -6.252 0.367 -12.023 460 H HIS 58 H HIS 58 -7.743 2.478 -11.607 461 HA HIS 58 HA HIS 58 -8.576 4.515 -9.952 462 HB2 HIS 58 2HB HIS 58 -10.875 2.959 -10.579 463 HB3 HIS 58 1HB HIS 58 -10.313 4.435 -11.355 464 HD1 HIS 58 1HD HIS 58 -9.940 4.181 -13.777 465 HD2 HIS 58 2HD HIS 58 -9.378 0.595 -11.752 466 HE1 HIS 58 1HE HIS 58 -9.411 2.480 -15.553 467 HE2 HIS 58 2HE HIS 58 -8.982 0.340 -14.295 468 H ASP 59 H ASP 59 -8.112 1.263 -9.142 469 HA ASP 59 HA ASP 59 -10.077 0.879 -7.171 470 HB2 ASP 59 2HB ASP 59 -8.947 -1.059 -7.877 471 HB3 ASP 59 1HB ASP 59 -7.362 -0.328 -7.643 472 H ALA 60 H ALA 60 -6.768 2.143 -6.963 473 HA ALA 60 HA ALA 60 -7.024 2.659 -4.142 474 HB1 ALA 60 1HB ALA 60 -4.854 2.900 -6.151 475 HB2 ALA 60 2HB ALA 60 -4.849 2.121 -4.569 476 HB3 ALA 60 3HB ALA 60 -4.746 3.877 -4.687 477 H GLU 61 H GLU 61 -7.418 4.375 -7.111 478 HA GLU 61 HA GLU 61 -7.263 6.999 -5.997 479 HB2 GLU 61 2HB GLU 61 -8.025 5.836 -8.631 480 HB3 GLU 61 1HB GLU 61 -8.572 7.466 -8.263 481 HG2 GLU 61 2HG GLU 61 -6.368 7.188 -9.521 482 HG3 GLU 61 1HG GLU 61 -6.410 8.305 -8.157 483 H LYS 62 H LYS 62 -9.750 4.615 -6.377 484 HA LYS 62 HA LYS 62 -11.966 6.376 -6.072 485 HB2 LYS 62 2HB LYS 62 -11.666 3.389 -5.806 486 HB3 LYS 62 1HB LYS 62 -13.200 4.210 -5.554 487 HG2 LYS 62 2HG LYS 62 -13.458 4.711 -7.768 488 HG3 LYS 62 1HG LYS 62 -11.721 4.723 -8.080 489 HD2 LYS 62 2HD LYS 62 -11.633 2.321 -7.980 490 HD3 LYS 62 1HD LYS 62 -13.323 2.240 -7.478 491 HE2 LYS 62 2HE LYS 62 -12.863 3.704 -9.976 492 HE3 LYS 62 1HE LYS 62 -12.438 1.994 -10.045 493 HZ1 LYS 62 3HZ LYS 62 -14.574 1.496 -10.208 494 HZ2 LYS 62 1HZ LYS 62 -14.976 3.140 -10.185 495 HZ3 LYS 62 2HZ LYS 62 -14.908 2.264 -8.739 496 H ILE 63 H ILE 63 -9.625 5.985 -3.988 497 HA ILE 63 HA ILE 63 -11.328 5.715 -1.627 498 HB ILE 63 HB ILE 63 -8.896 4.530 -2.176 499 HG12 ILE 63 2HG1 ILE 63 -9.342 4.732 0.674 500 HG13 ILE 63 1HG1 ILE 63 -10.868 4.510 -0.177 501 HG21 ILE 63 1HG2 ILE 63 -8.377 6.597 -0.056 502 HG22 ILE 63 2HG2 ILE 63 -7.893 6.813 -1.739 503 HG23 ILE 63 3HG2 ILE 63 -7.233 5.477 -0.795 504 HD11 ILE 63 3HD1 ILE 63 -8.448 2.745 -0.466 505 HD12 ILE 63 1HD1 ILE 63 -10.024 2.503 -1.224 506 HD13 ILE 63 2HD1 ILE 63 -9.862 2.394 0.529 507 H GLN 64 H GLN 64 -11.752 7.449 -0.411 508 HA GLN 64 HA GLN 64 -10.134 9.839 -0.811 509 HB2 GLN 64 2HB GLN 64 -12.844 10.245 0.236 510 HB3 GLN 64 1HB GLN 64 -11.976 11.132 -1.010 511 HG2 GLN 64 2HG GLN 64 -13.897 10.115 -1.991 512 HG3 GLN 64 1HG GLN 64 -12.459 9.292 -2.592 513 HE21 GLN 64 1HE2 GLN 64 -14.668 9.049 0.181 514 HE22 GLN 64 2HE2 GLN 64 -14.855 7.333 0.097 515 H SER 65 H SER 65 -10.981 7.476 1.360 516 HA SER 65 HA SER 65 -10.343 9.220 3.651 517 HB2 SER 65 2HB SER 65 -11.833 8.070 5.017 518 HB3 SER 65 1HB SER 65 -12.693 8.077 3.479 519 HG SER 65 HG SER 65 -10.977 5.954 4.190 520 H ILE 66 H ILE 66 -8.875 8.504 5.146 521 HA ILE 66 HA ILE 66 -6.863 6.744 4.217 522 HB ILE 66 HB ILE 66 -6.681 7.204 7.054 523 HG12 ILE 66 2HG1 ILE 66 -8.210 9.064 6.646 524 HG13 ILE 66 1HG1 ILE 66 -6.595 9.673 6.986 525 HG21 ILE 66 1HG2 ILE 66 -4.545 7.449 6.481 526 HG22 ILE 66 2HG2 ILE 66 -4.921 8.785 5.392 527 HG23 ILE 66 3HG2 ILE 66 -5.034 7.119 4.819 528 HD11 ILE 66 3HD1 ILE 66 -8.254 10.067 4.676 529 HD12 ILE 66 1HD1 ILE 66 -6.690 9.392 4.221 530 HD13 ILE 66 2HD1 ILE 66 -6.768 10.889 5.149 531 HA PRO 67 HA PRO 67 -8.737 3.919 7.746 532 HB2 PRO 67 2HB PRO 67 -11.459 4.089 7.909 533 HB3 PRO 67 1HB PRO 67 -10.357 4.995 8.951 534 HG2 PRO 67 2HG PRO 67 -11.812 5.891 6.497 535 HG3 PRO 67 1HG PRO 67 -11.551 6.755 8.024 536 HD2 PRO 67 2HD PRO 67 -10.092 7.263 5.814 537 HD3 PRO 67 1HD PRO 67 -9.408 7.386 7.448 538 H ASP 68 H ASP 68 -11.206 4.591 5.247 539 HA ASP 68 HA ASP 68 -11.798 1.909 4.704 540 HB2 ASP 68 2HB ASP 68 -12.450 4.499 3.569 541 HB3 ASP 68 1HB ASP 68 -12.245 3.283 2.312 542 H ALA 69 H ALA 69 -9.121 3.840 3.802 543 HA ALA 69 HA ALA 69 -8.357 2.479 1.444 544 HB1 ALA 69 1HB ALA 69 -7.184 4.383 1.430 545 HB2 ALA 69 2HB ALA 69 -6.022 3.489 2.410 546 HB3 ALA 69 3HB ALA 69 -7.219 4.526 3.187 547 H VAL 70 H VAL 70 -6.535 2.519 4.458 548 HA VAL 70 HA VAL 70 -5.204 0.092 3.935 549 HB VAL 70 HB VAL 70 -4.064 1.511 5.394 550 HG11 VAL 70 1HG1 VAL 70 -6.646 2.274 6.229 551 HG12 VAL 70 2HG1 VAL 70 -5.104 3.024 6.639 552 HG13 VAL 70 3HG1 VAL 70 -5.770 1.757 7.669 553 HG21 VAL 70 3HG2 VAL 70 -5.021 -0.072 7.647 554 HG22 VAL 70 1HG2 VAL 70 -3.424 -0.011 6.903 555 HG23 VAL 70 2HG2 VAL 70 -4.680 -1.037 6.210 556 H GLU 71 H GLU 71 -8.290 0.783 5.229 557 HA GLU 71 HA GLU 71 -8.615 -1.563 6.796 558 HB2 GLU 71 2HB GLU 71 -10.462 0.531 5.718 559 HB3 GLU 71 1HB GLU 71 -11.128 -0.941 6.411 560 HG2 GLU 71 2HG GLU 71 -9.169 0.056 8.200 561 HG3 GLU 71 1HG GLU 71 -10.221 1.392 7.736 562 H TYR 72 H TYR 72 -9.525 -0.654 3.495 563 HA TYR 72 HA TYR 72 -10.895 -3.028 2.878 564 HB2 TYR 72 2HB TYR 72 -11.364 -1.891 1.016 565 HB3 TYR 72 1HB TYR 72 -10.279 -0.619 1.564 566 HD1 TYR 72 1HD TYR 72 -7.804 -0.830 0.932 567 HD2 TYR 72 2HD TYR 72 -10.882 -3.110 -0.917 568 HE1 TYR 72 1HE TYR 72 -6.327 -1.255 -0.986 569 HE2 TYR 72 2HE TYR 72 -9.412 -3.545 -2.840 570 HH TYR 72 HH TYR 72 -7.026 -3.589 -3.364 571 H ILE 73 H ILE 73 -7.561 -2.045 2.241 572 HA ILE 73 HA ILE 73 -6.772 -4.435 0.982 573 HB ILE 73 HB ILE 73 -4.425 -3.664 1.958 574 HG12 ILE 73 2HG1 ILE 73 -6.149 -1.742 3.058 575 HG13 ILE 73 1HG1 ILE 73 -4.390 -1.707 3.034 576 HG21 ILE 73 1HG2 ILE 73 -4.990 -1.736 -0.035 577 HG22 ILE 73 2HG2 ILE 73 -5.923 -3.185 -0.406 578 HG23 ILE 73 3HG2 ILE 73 -4.175 -3.289 -0.206 579 HD11 ILE 73 3HD1 ILE 73 -5.468 0.354 2.183 580 HD12 ILE 73 1HD1 ILE 73 -6.124 -0.592 0.847 581 HD13 ILE 73 2HD1 ILE 73 -4.379 -0.415 1.029 582 H ALA 74 H ALA 74 -6.997 -3.484 4.316 583 HA ALA 74 HA ALA 74 -5.449 -5.560 5.426 584 HB1 ALA 74 1HB ALA 74 -6.693 -3.346 6.422 585 HB2 ALA 74 2HB ALA 74 -5.951 -4.616 7.396 586 HB3 ALA 74 3HB ALA 74 -7.685 -4.651 7.073 587 H GLN 75 H GLN 75 -8.840 -5.294 4.600 588 HA GLN 75 HA GLN 75 -9.530 -7.843 5.682 589 HB2 GLN 75 2HB GLN 75 -11.421 -6.815 3.750 590 HB3 GLN 75 1HB GLN 75 -11.635 -7.127 5.467 591 HG2 GLN 75 2HG GLN 75 -10.379 -4.929 5.831 592 HG3 GLN 75 1HG GLN 75 -10.688 -4.627 4.121 593 HE21 GLN 75 1HE2 GLN 75 -11.663 -2.937 6.032 594 HE22 GLN 75 2HE2 GLN 75 -13.382 -3.077 6.115 595 H ASN 76 H ASN 76 -10.320 -6.838 2.411 596 HA ASN 76 HA ASN 76 -10.565 -9.104 1.116 597 HB2 ASN 76 2HB ASN 76 -8.657 -7.621 -0.459 598 HB3 ASN 76 1HB ASN 76 -10.382 -7.855 -0.724 599 HD21 ASN 76 1HD2 ASN 76 -8.170 -5.562 -0.469 600 HD22 ASN 76 2HD2 ASN 76 -9.097 -4.296 0.245 601 HA PRO 77 HA PRO 77 -5.842 -10.062 0.489 602 HB2 PRO 77 2HB PRO 77 -4.635 -8.153 2.420 603 HB3 PRO 77 1HB PRO 77 -4.085 -8.625 0.808 604 HG2 PRO 77 2HG PRO 77 -5.189 -6.242 1.194 605 HG3 PRO 77 1HG PRO 77 -5.566 -7.183 -0.262 606 HD2 PRO 77 2HD PRO 77 -7.202 -6.829 2.229 607 HD3 PRO 77 1HD PRO 77 -7.718 -6.811 0.533 608 H MET 78 H MET 78 -6.883 -8.985 3.726 609 HA MET 78 HA MET 78 -5.351 -10.806 5.213 610 HB2 MET 78 2HB MET 78 -6.305 -9.161 6.528 611 HB3 MET 78 1HB MET 78 -7.863 -9.273 5.722 612 HG2 MET 78 2HG MET 78 -7.876 -10.092 8.054 613 HG3 MET 78 1HG MET 78 -8.395 -11.292 6.873 614 HE1 MET 78 3HE MET 78 -8.025 -13.465 8.252 615 HE2 MET 78 1HE MET 78 -7.832 -12.362 9.615 616 HE3 MET 78 2HE MET 78 -6.675 -13.670 9.368 617 H ALA 79 H ALA 79 -8.061 -11.278 3.201 618 HA ALA 79 HA ALA 79 -8.713 -13.837 4.391 619 HB1 ALA 79 1HB ALA 79 -10.099 -12.065 2.435 620 HB2 ALA 79 2HB ALA 79 -10.688 -12.712 3.966 621 HB3 ALA 79 3HB ALA 79 -10.535 -13.769 2.563 622 H LYS 80 H LYS 80 -8.844 -12.952 1.007 623 HA LYS 80 HA LYS 80 -8.436 -14.536 -0.721 624 HB2 LYS 80 2HB LYS 80 -5.589 -13.921 -0.199 625 HB3 LYS 80 1HB LYS 80 -6.542 -13.693 -1.659 626 HG2 LYS 80 2HG LYS 80 -7.684 -11.837 -0.112 627 HG3 LYS 80 1HG LYS 80 -6.072 -11.862 0.606 628 HD2 LYS 80 2HD LYS 80 -5.066 -11.066 -1.290 629 HD3 LYS 80 1HD LYS 80 -6.282 -11.766 -2.358 630 HE2 LYS 80 2HE LYS 80 -7.522 -9.907 -2.332 631 HE3 LYS 80 1HE LYS 80 -7.379 -9.741 -0.584 632 HZ1 LYS 80 3HZ LYS 80 -5.396 -8.854 -2.607 633 HZ2 LYS 80 1HZ LYS 80 -5.159 -8.779 -0.933 634 HZ3 LYS 80 2HZ LYS 80 -6.379 -7.860 -1.657 635 H282 PNS 101 8H2 PNS 101 1.978 15.232 -7.867 636 H281 PNS 101 9H2 PNS 101 2.607 16.259 -9.159 637 H303 PNS 101 0H3 PNS 101 5.658 15.410 -7.979 638 H302 PNS 101 1H3 PNS 101 4.610 14.762 -6.717 639 H301 PNS 101 2H3 PNS 101 4.215 16.298 -7.489 640 H313 PNS 101 3H3 PNS 101 4.535 12.815 -7.741 641 H312 PNS 101 4H3 PNS 101 3.508 12.533 -9.146 642 H311 PNS 101 5H3 PNS 101 2.793 13.063 -7.623 643 H32 PNS 101 6H3 PNS 101 3.721 14.455 -10.674 644 H33 PNS 101 7H3 PNS 101 4.673 16.047 -11.390 645 H36 PNS 101 8H3 PNS 101 6.987 14.576 -9.887 646 H372 PNS 101 9H3 PNS 101 7.173 12.832 -12.228 647 H371 PNS 101 0H4 PNS 101 8.225 12.507 -10.850 648 H382 PNS 101 1H4 PNS 101 9.054 14.867 -11.055 649 H381 PNS 101 2H4 PNS 101 9.485 13.796 -12.387 650 H41 PNS 101 3H4 PNS 101 7.085 15.984 -11.278 651 H422 PNS 101 4H4 PNS 101 6.061 17.124 -13.579 652 H421 PNS 101 5H4 PNS 101 6.290 17.968 -12.049 653 H431 PNS 101 7H4 PNS 101 7.885 19.204 -12.987 654 H432 PNS 101 6H4 PNS 101 8.830 17.740 -13.293 655 H44 PNS 101 8H4 PNS 101 7.025 17.719 -15.513 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -3.811 -7.937 8.359 2 H2 MET 1 2HT MET 1 -5.285 -7.763 7.494 3 H3 MET 1 3HT MET 1 -4.989 -9.182 8.414 4 HA MET 1 HA MET 1 -6.384 -7.064 9.227 5 HB2 MET 1 2HB MET 1 -5.818 -8.128 11.546 6 HB3 MET 1 1HB MET 1 -6.663 -9.082 10.335 7 HG2 MET 1 2HG MET 1 -4.851 -10.420 9.919 8 HG3 MET 1 1HG MET 1 -3.693 -9.200 10.444 9 HE1 MET 1 2HE MET 1 -2.643 -11.784 12.709 10 HE2 MET 1 3HE MET 1 -2.965 -11.636 10.981 11 HE3 MET 1 1HE MET 1 -3.945 -12.718 11.970 12 H ASN 2 H ASN 2 -3.976 -7.669 11.582 13 HA ASN 2 HA ASN 2 -3.478 -4.897 11.954 14 HB2 ASN 2 2HB ASN 2 -2.051 -7.258 13.182 15 HB3 ASN 2 1HB ASN 2 -1.994 -5.596 13.760 16 HD21 ASN 2 1HD2 ASN 2 -2.690 -6.850 15.727 17 HD22 ASN 2 2HD2 ASN 2 -4.391 -7.013 15.982 18 H ASP 3 H ASP 3 -1.805 -7.492 10.373 19 HA ASP 3 HA ASP 3 0.753 -6.421 10.190 20 HB2 ASP 3 2HB ASP 3 -0.791 -8.375 8.538 21 HB3 ASP 3 1HB ASP 3 0.788 -7.826 7.983 22 H VAL 4 H VAL 4 -2.065 -5.806 8.189 23 HA VAL 4 HA VAL 4 -0.656 -4.413 6.159 24 HB VAL 4 HB VAL 4 -2.873 -3.586 5.431 25 HG11 VAL 4 1HG1 VAL 4 -2.456 -5.551 4.367 26 HG12 VAL 4 2HG1 VAL 4 -3.866 -6.048 5.304 27 HG13 VAL 4 3HG1 VAL 4 -2.244 -6.449 5.871 28 HG21 VAL 4 3HG2 VAL 4 -4.877 -4.481 6.590 29 HG22 VAL 4 1HG2 VAL 4 -3.970 -3.311 7.549 30 HG23 VAL 4 2HG2 VAL 4 -3.827 -5.035 7.893 31 H LEU 5 H LEU 5 -2.774 -3.171 8.767 32 HA LEU 5 HA LEU 5 -2.163 -0.474 8.215 33 HB2 LEU 5 2HB LEU 5 -3.274 0.050 10.325 34 HB3 LEU 5 1HB LEU 5 -4.220 -1.031 9.331 35 HG LEU 5 HG LEU 5 -4.274 -1.555 11.758 36 HD11 LEU 5 1HD1 LEU 5 -4.324 -3.205 9.661 37 HD12 LEU 5 2HD1 LEU 5 -4.547 -3.743 11.325 38 HD13 LEU 5 3HD1 LEU 5 -2.969 -3.902 10.550 39 HD21 LEU 5 3HD2 LEU 5 -2.453 -1.988 12.996 40 HD22 LEU 5 1HD2 LEU 5 -1.609 -1.073 11.748 41 HD23 LEU 5 2HD2 LEU 5 -1.633 -2.835 11.687 42 H THR 6 H THR 6 -0.734 -2.844 10.328 43 HA THR 6 HA THR 6 0.797 -1.116 11.917 44 HB THR 6 HB THR 6 0.500 -3.381 12.615 45 HG1 THR 6 1HG THR 6 3.148 -2.693 11.941 46 HG21 THR 6 3HG2 THR 6 2.288 -4.664 10.719 47 HG22 THR 6 1HG2 THR 6 0.789 -4.088 9.991 48 HG23 THR 6 2HG2 THR 6 0.735 -5.198 11.362 49 H ARG 7 H ARG 7 1.826 -3.015 9.109 50 HA ARG 7 HA ARG 7 4.340 -1.682 8.950 51 HB2 ARG 7 2HB ARG 7 4.888 -3.185 7.274 52 HB3 ARG 7 1HB ARG 7 3.719 -4.098 8.218 53 HG2 ARG 7 2HG ARG 7 3.084 -4.477 6.016 54 HG3 ARG 7 1HG ARG 7 1.976 -3.216 6.562 55 HD2 ARG 7 2HD ARG 7 2.612 -2.013 4.804 56 HD3 ARG 7 1HD ARG 7 4.191 -1.848 5.571 57 HE ARG 7 HE ARG 7 3.495 -3.586 3.359 58 HH11 ARG 7 1HH1 ARG 7 5.805 -2.785 5.838 59 HH12 ARG 7 2HH1 ARG 7 7.127 -3.571 5.043 60 HH21 ARG 7 1HH2 ARG 7 5.228 -4.625 2.301 61 HH22 ARG 7 2HH2 ARG 7 6.799 -4.617 3.031 62 H VAL 8 H VAL 8 1.320 -1.609 7.135 63 HA VAL 8 HA VAL 8 2.161 0.150 5.119 64 HB VAL 8 HB VAL 8 0.006 -1.288 5.255 65 HG11 VAL 8 1HG1 VAL 8 -0.778 -0.167 7.345 66 HG12 VAL 8 2HG1 VAL 8 -1.965 -0.190 6.040 67 HG13 VAL 8 3HG1 VAL 8 -1.068 1.288 6.391 68 HG21 VAL 8 3HG2 VAL 8 -0.807 1.282 4.134 69 HG22 VAL 8 1HG2 VAL 8 -0.572 -0.278 3.345 70 HG23 VAL 8 2HG2 VAL 8 0.810 0.778 3.641 71 H LEU 9 H LEU 9 0.379 0.761 8.137 72 HA LEU 9 HA LEU 9 0.116 3.528 7.866 73 HB2 LEU 9 2HB LEU 9 -0.494 3.567 10.119 74 HB3 LEU 9 1HB LEU 9 -0.928 1.952 9.598 75 HG LEU 9 HG LEU 9 1.356 1.236 10.544 76 HD11 LEU 9 1HD1 LEU 9 1.694 3.934 10.875 77 HD12 LEU 9 2HD1 LEU 9 2.622 2.675 11.689 78 HD13 LEU 9 3HD1 LEU 9 1.231 3.403 12.492 79 HD21 LEU 9 3HD2 LEU 9 0.383 1.274 12.907 80 HD22 LEU 9 1HD2 LEU 9 -0.562 0.479 11.648 81 HD23 LEU 9 2HD2 LEU 9 -1.001 2.098 12.188 82 H GLU 10 H GLU 10 2.690 1.616 9.370 83 HA GLU 10 HA GLU 10 4.253 3.794 10.236 84 HB2 GLU 10 2HB GLU 10 6.001 2.188 10.603 85 HB3 GLU 10 1HB GLU 10 4.473 1.441 11.049 86 HG2 GLU 10 2HG GLU 10 4.561 -0.073 9.377 87 HG3 GLU 10 1HG GLU 10 5.374 1.032 8.267 88 H VAL 11 H VAL 11 4.107 1.978 7.269 89 HA VAL 11 HA VAL 11 6.437 2.849 6.043 90 HB VAL 11 HB VAL 11 3.906 1.723 5.104 91 HG11 VAL 11 1HG1 VAL 11 5.251 2.003 2.746 92 HG12 VAL 11 2HG1 VAL 11 5.494 3.573 3.509 93 HG13 VAL 11 3HG1 VAL 11 3.860 2.965 3.244 94 HG21 VAL 11 3HG2 VAL 11 6.199 0.650 3.838 95 HG22 VAL 11 1HG2 VAL 11 5.169 -0.095 5.061 96 HG23 VAL 11 2HG2 VAL 11 6.565 0.867 5.549 97 H VAL 12 H VAL 12 3.173 4.147 5.724 98 HA VAL 12 HA VAL 12 3.923 6.337 4.088 99 HB VAL 12 HB VAL 12 1.669 7.279 4.799 100 HG11 VAL 12 1HG1 VAL 12 2.279 5.609 2.854 101 HG12 VAL 12 2HG1 VAL 12 0.604 6.030 3.206 102 HG13 VAL 12 3HG1 VAL 12 1.272 4.508 3.794 103 HG21 VAL 12 3HG2 VAL 12 1.471 4.598 6.168 104 HG22 VAL 12 1HG2 VAL 12 0.151 5.745 5.947 105 HG23 VAL 12 2HG2 VAL 12 1.524 6.168 6.968 106 H LYS 13 H LYS 13 3.171 6.088 7.556 107 HA LYS 13 HA LYS 13 3.470 8.750 8.256 108 HB2 LYS 13 2HB LYS 13 3.666 8.031 10.490 109 HB3 LYS 13 1HB LYS 13 2.696 6.794 9.703 110 HG2 LYS 13 2HG LYS 13 4.685 5.378 9.491 111 HG3 LYS 13 1HG LYS 13 5.641 6.619 10.315 112 HD2 LYS 13 2HD LYS 13 3.302 5.090 11.457 113 HD3 LYS 13 1HD LYS 13 5.001 4.884 11.884 114 HE2 LYS 13 2HE LYS 13 4.161 7.641 12.141 115 HE3 LYS 13 1HE LYS 13 3.157 6.567 13.113 116 HZ1 LYS 13 3HZ LYS 13 5.391 7.540 14.035 117 HZ2 LYS 13 1HZ LYS 13 6.065 6.221 13.216 118 HZ3 LYS 13 2HZ LYS 13 4.906 5.967 14.422 119 H ASN 14 H ASN 14 5.960 6.208 8.192 120 HA ASN 14 HA ASN 14 8.034 8.104 8.781 121 HB2 ASN 14 2HB ASN 14 8.357 5.220 7.955 122 HB3 ASN 14 1HB ASN 14 9.532 6.228 8.794 123 HD21 ASN 14 1HD2 ASN 14 7.330 3.842 9.187 124 HD22 ASN 14 2HD2 ASN 14 6.991 4.027 10.871 125 H PHE 15 H PHE 15 6.350 7.384 6.057 126 HA PHE 15 HA PHE 15 8.410 7.224 4.120 127 HB2 PHE 15 2HB PHE 15 5.495 7.404 4.136 128 HB3 PHE 15 1HB PHE 15 6.226 8.276 2.794 129 HD1 PHE 15 2HD PHE 15 8.130 5.491 4.007 130 HD2 PHE 15 1HD PHE 15 4.989 6.617 1.367 131 HE1 PHE 15 2HE PHE 15 8.404 3.374 2.785 132 HE2 PHE 15 1HE PHE 15 5.257 4.501 0.139 133 HZ PHE 15 HZ PHE 15 6.966 2.876 0.848 134 H GLU 16 H GLU 16 6.949 9.797 5.856 135 HA GLU 16 HA GLU 16 8.087 11.888 6.057 136 HB2 GLU 16 2HB GLU 16 9.407 12.775 4.388 137 HB3 GLU 16 1HB GLU 16 9.606 11.058 4.092 138 HG2 GLU 16 2HG GLU 16 7.394 11.767 2.596 139 HG3 GLU 16 1HG GLU 16 8.509 13.112 2.409 140 H LYS 17 H LYS 17 5.622 10.688 4.079 141 HA LYS 17 HA LYS 17 4.516 13.058 3.051 142 HB2 LYS 17 2HB LYS 17 3.380 10.348 3.678 143 HB3 LYS 17 1HB LYS 17 2.346 11.649 3.102 144 HG2 LYS 17 2HG LYS 17 2.888 10.516 1.164 145 HG3 LYS 17 1HG LYS 17 4.048 11.846 1.175 146 HD2 LYS 17 2HD LYS 17 5.771 10.435 1.255 147 HD3 LYS 17 1HD LYS 17 5.067 9.560 2.617 148 HE2 LYS 17 2HE LYS 17 3.985 8.043 1.251 149 HE3 LYS 17 1HE LYS 17 3.985 9.133 -0.134 150 HZ1 LYS 17 3HZ LYS 17 6.496 8.011 0.951 151 HZ2 LYS 17 1HZ LYS 17 6.215 8.683 -0.576 152 HZ3 LYS 17 2HZ LYS 17 5.571 7.168 -0.188 153 H VAL 18 H VAL 18 3.786 11.252 6.030 154 HA VAL 18 HA VAL 18 3.377 13.472 7.642 155 HB VAL 18 HB VAL 18 0.742 13.030 7.792 156 HG11 VAL 18 1HG1 VAL 18 2.271 15.131 7.208 157 HG12 VAL 18 2HG1 VAL 18 0.515 15.165 7.052 158 HG13 VAL 18 3HG1 VAL 18 1.522 14.897 5.629 159 HG21 VAL 18 3HG2 VAL 18 -0.300 12.622 5.738 160 HG22 VAL 18 1HG2 VAL 18 0.999 11.432 5.805 161 HG23 VAL 18 2HG2 VAL 18 1.187 12.888 4.828 162 H ASP 19 H ASP 19 2.966 12.901 9.760 163 HA ASP 19 HA ASP 19 3.405 10.208 10.470 164 HB2 ASP 19 2HB ASP 19 4.157 11.916 11.966 165 HB3 ASP 19 1HB ASP 19 2.541 12.607 12.086 166 H ALA 20 H ALA 20 2.018 8.577 10.568 167 HA ALA 20 HA ALA 20 -0.692 8.768 9.955 168 HB1 ALA 20 1HB ALA 20 -0.249 6.446 11.554 169 HB2 ALA 20 2HB ALA 20 1.150 6.705 10.513 170 HB3 ALA 20 3HB ALA 20 -0.460 6.566 9.808 171 H SER 21 H SER 21 0.895 9.517 12.853 172 HA SER 21 HA SER 21 -1.106 8.844 14.726 173 HB2 SER 21 2HB SER 21 1.291 9.400 15.266 174 HB3 SER 21 1HB SER 21 0.897 11.093 14.970 175 HG SER 21 HG SER 21 -0.525 11.045 16.682 176 H LYS 22 H LYS 22 -0.856 11.342 12.407 177 HA LYS 22 HA LYS 22 -2.809 13.025 13.742 178 HB2 LYS 22 2HB LYS 22 -2.435 14.564 11.824 179 HB3 LYS 22 1HB LYS 22 -0.968 14.194 12.721 180 HG2 LYS 22 2HG LYS 22 -1.243 12.292 10.625 181 HG3 LYS 22 1HG LYS 22 -1.458 13.911 9.955 182 HD2 LYS 22 2HD LYS 22 0.873 12.933 11.604 183 HD3 LYS 22 1HD LYS 22 0.882 13.301 9.878 184 HE2 LYS 22 2HE LYS 22 0.092 15.652 10.630 185 HE3 LYS 22 1HE LYS 22 0.707 15.168 12.211 186 HZ1 LYS 22 3HZ LYS 22 2.265 16.396 10.613 187 HZ2 LYS 22 1HZ LYS 22 2.389 14.917 9.799 188 HZ3 LYS 22 2HZ LYS 22 2.864 15.035 11.418 189 H VAL 23 H VAL 23 -2.684 10.516 11.467 190 HA VAL 23 HA VAL 23 -4.874 11.209 9.821 191 HB VAL 23 HB VAL 23 -4.895 8.898 9.106 192 HG11 VAL 23 1HG1 VAL 23 -2.163 8.738 9.007 193 HG12 VAL 23 2HG1 VAL 23 -2.433 10.458 9.284 194 HG13 VAL 23 3HG1 VAL 23 -3.175 9.662 7.897 195 HG21 VAL 23 3HG2 VAL 23 -3.937 8.417 11.749 196 HG22 VAL 23 1HG2 VAL 23 -2.789 7.739 10.593 197 HG23 VAL 23 2HG2 VAL 23 -4.484 7.254 10.540 198 H THR 24 H THR 24 -6.980 11.211 10.248 199 HA THR 24 HA THR 24 -7.931 9.748 12.580 200 HB THR 24 HB THR 24 -8.060 12.413 12.266 201 HG1 THR 24 1HG THR 24 -9.598 12.354 13.864 202 HG21 THR 24 3HG2 THR 24 -10.600 12.774 11.848 203 HG22 THR 24 1HG2 THR 24 -10.443 11.323 10.862 204 HG23 THR 24 2HG2 THR 24 -9.470 12.745 10.494 205 HA PRO 25 HA PRO 25 -10.640 7.240 10.207 206 HB2 PRO 25 2HB PRO 25 -13.048 7.598 11.537 207 HB3 PRO 25 1HB PRO 25 -11.782 6.463 12.013 208 HG2 PRO 25 2HG PRO 25 -12.375 9.195 13.065 209 HG3 PRO 25 1HG PRO 25 -11.863 7.740 13.941 210 HD2 PRO 25 2HD PRO 25 -10.141 9.718 13.393 211 HD3 PRO 25 1HD PRO 25 -9.637 8.015 13.346 212 H GLU 26 H GLU 26 -11.869 10.460 10.993 213 HA GLU 26 HA GLU 26 -13.497 10.447 8.579 214 HB2 GLU 26 2HB GLU 26 -14.422 12.578 9.475 215 HB3 GLU 26 1HB GLU 26 -14.661 11.202 10.543 216 HG2 GLU 26 2HG GLU 26 -12.211 12.741 11.031 217 HG3 GLU 26 1HG GLU 26 -13.718 13.609 11.324 218 H SER 27 H SER 27 -10.413 11.008 9.202 219 HA SER 27 HA SER 27 -10.038 13.581 8.019 220 HB2 SER 27 2HB SER 27 -8.037 13.388 9.000 221 HB3 SER 27 1HB SER 27 -8.450 11.744 9.484 222 HG SER 27 HG SER 27 -7.035 11.085 8.097 223 H HIS 28 H HIS 28 -9.547 14.088 5.948 224 HA HIS 28 HA HIS 28 -10.026 12.102 3.943 225 HB2 HIS 28 2HB HIS 28 -10.007 14.988 4.095 226 HB3 HIS 28 1HB HIS 28 -9.115 14.432 2.683 227 HD1 HIS 28 1HD HIS 28 -10.549 12.612 1.172 228 HD2 HIS 28 2HD HIS 28 -12.676 15.145 3.687 229 HE1 HIS 28 1HE HIS 28 -12.911 12.586 0.310 230 HE2 HIS 28 2HE HIS 28 -14.198 14.058 1.900 231 H PHE 29 H PHE 29 -8.578 11.447 2.309 232 HA PHE 29 HA PHE 29 -5.923 11.026 3.180 233 HB2 PHE 29 2HB PHE 29 -7.370 9.606 1.566 234 HB3 PHE 29 1HB PHE 29 -6.796 10.711 0.322 235 HD1 PHE 29 1HD PHE 29 -4.274 10.506 2.691 236 HD2 PHE 29 2HD PHE 29 -6.079 8.243 -0.429 237 HE1 PHE 29 1HE PHE 29 -2.213 9.179 2.464 238 HE2 PHE 29 2HE PHE 29 -4.024 6.912 -0.660 239 HZ PHE 29 HZ PHE 29 -2.087 7.379 0.789 240 H VAL 30 H VAL 30 -4.976 11.435 0.275 241 HA VAL 30 HA VAL 30 -3.263 13.439 0.455 242 HB VAL 30 HB VAL 30 -4.531 13.868 -2.078 243 HG11 VAL 30 1HG1 VAL 30 -2.388 12.516 -2.748 244 HG12 VAL 30 2HG1 VAL 30 -1.977 12.728 -1.047 245 HG13 VAL 30 3HG1 VAL 30 -2.250 14.138 -2.070 246 HG21 VAL 30 3HG2 VAL 30 -3.988 10.959 -1.585 247 HG22 VAL 30 1HG2 VAL 30 -4.823 11.717 -2.941 248 HG23 VAL 30 2HG2 VAL 30 -5.597 11.646 -1.358 249 H LYS 31 H LYS 31 -6.687 13.856 0.138 250 HA LYS 31 HA LYS 31 -6.743 16.605 -0.457 251 HB2 LYS 31 2HB LYS 31 -8.778 14.900 0.989 252 HB3 LYS 31 1HB LYS 31 -9.077 16.523 0.382 253 HG2 LYS 31 2HG LYS 31 -9.939 15.288 -1.326 254 HG3 LYS 31 1HG LYS 31 -8.277 15.470 -1.889 255 HD2 LYS 31 2HD LYS 31 -8.558 13.177 -0.149 256 HD3 LYS 31 1HD LYS 31 -9.668 13.087 -1.518 257 HE2 LYS 31 2HE LYS 31 -6.714 12.990 -1.453 258 HE3 LYS 31 1HE LYS 31 -7.852 12.152 -2.506 259 HZ1 LYS 31 3HZ LYS 31 -6.846 14.924 -2.734 260 HZ2 LYS 31 1HZ LYS 31 -8.238 14.414 -3.549 261 HZ3 LYS 31 2HZ LYS 31 -6.751 13.676 -3.871 262 H ASP 32 H ASP 32 -7.024 14.901 2.654 263 HA ASP 32 HA ASP 32 -6.905 17.387 4.100 264 HB2 ASP 32 2HB ASP 32 -8.170 15.064 4.637 265 HB3 ASP 32 1HB ASP 32 -6.697 14.833 5.575 266 H LEU 33 H LEU 33 -4.630 15.902 2.527 267 HA LEU 33 HA LEU 33 -2.352 16.615 2.830 268 HB2 LEU 33 2HB LEU 33 -2.863 15.932 5.727 269 HB3 LEU 33 1HB LEU 33 -1.336 16.484 5.065 270 HG LEU 33 HG LEU 33 -3.811 18.168 4.839 271 HD11 LEU 33 1HD1 LEU 33 -3.868 18.255 7.076 272 HD12 LEU 33 2HD1 LEU 33 -2.436 19.272 6.909 273 HD13 LEU 33 3HD1 LEU 33 -2.260 17.550 7.243 274 HD21 LEU 33 3HD2 LEU 33 -2.438 19.652 3.917 275 HD22 LEU 33 1HD2 LEU 33 -1.199 18.397 3.888 276 HD23 LEU 33 2HD2 LEU 33 -1.296 19.508 5.253 277 H GLY 34 H GLY 34 -3.590 14.252 1.946 278 HA2 GLY 34 2HA GLY 34 -2.211 12.027 3.208 279 HA3 GLY 34 1HA GLY 34 -3.326 11.932 1.854 280 H LEU 35 H LEU 35 -1.466 10.367 1.308 281 HA LEU 35 HA LEU 35 1.010 11.393 0.427 282 HB2 LEU 35 2HB LEU 35 -0.497 8.850 0.010 283 HB3 LEU 35 1HB LEU 35 0.899 9.179 -0.997 284 HG LEU 35 HG LEU 35 2.386 8.909 0.717 285 HD11 LEU 35 1HD1 LEU 35 2.039 9.443 2.994 286 HD12 LEU 35 2HD1 LEU 35 0.286 9.472 2.795 287 HD13 LEU 35 3HD1 LEU 35 1.279 10.732 2.061 288 HD21 LEU 35 3HD2 LEU 35 0.724 6.901 0.437 289 HD22 LEU 35 1HD2 LEU 35 0.261 7.329 2.084 290 HD23 LEU 35 2HD2 LEU 35 1.933 6.897 1.722 291 H ASN 36 H ASN 36 1.527 12.490 -1.350 292 HA ASN 36 HA ASN 36 -0.402 13.345 -3.207 293 HB2 ASN 36 2HB ASN 36 1.322 14.536 -4.260 294 HB3 ASN 36 1HB ASN 36 1.834 14.447 -2.577 295 HD21 ASN 36 1HD2 ASN 36 2.668 13.856 -5.767 296 HD22 ASN 36 2HD2 ASN 36 4.104 12.941 -5.489 297 H SER 37 H SER 37 1.044 13.102 -5.671 298 HA SER 37 HA SER 37 -0.081 10.718 -6.647 299 HB2 SER 37 2HB SER 37 1.561 12.909 -7.743 300 HB3 SER 37 1HB SER 37 1.688 11.370 -8.595 301 H LEU 38 H LEU 38 3.336 11.611 -6.489 302 HA LEU 38 HA LEU 38 4.242 8.961 -6.951 303 HB2 LEU 38 2HB LEU 38 6.355 9.830 -6.958 304 HB3 LEU 38 1HB LEU 38 5.423 11.263 -7.306 305 HG LEU 38 HG LEU 38 7.117 10.657 -5.031 306 HD11 LEU 38 1HD1 LEU 38 6.033 13.282 -5.994 307 HD12 LEU 38 2HD1 LEU 38 7.408 12.469 -6.742 308 HD13 LEU 38 3HD1 LEU 38 7.499 12.989 -5.060 309 HD21 LEU 38 3HD2 LEU 38 4.310 11.477 -4.624 310 HD22 LEU 38 1HD2 LEU 38 5.537 12.355 -3.715 311 HD23 LEU 38 2HD2 LEU 38 5.403 10.605 -3.548 312 H ASP 39 H ASP 39 2.993 10.452 -4.214 313 HA ASP 39 HA ASP 39 4.528 9.011 -2.256 314 HB2 ASP 39 2HB ASP 39 2.206 10.881 -2.190 315 HB3 ASP 39 1HB ASP 39 2.483 9.840 -0.797 316 H VAL 40 H VAL 40 1.066 8.998 -2.970 317 HA VAL 40 HA VAL 40 0.448 6.624 -1.674 318 HB VAL 40 HB VAL 40 -1.013 8.476 -3.048 319 HG11 VAL 40 1HG1 VAL 40 -0.304 6.871 -5.075 320 HG12 VAL 40 2HG1 VAL 40 -1.845 7.726 -5.014 321 HG13 VAL 40 3HG1 VAL 40 -1.757 6.032 -4.531 322 HG21 VAL 40 3HG2 VAL 40 -2.292 7.564 -1.451 323 HG22 VAL 40 1HG2 VAL 40 -1.514 5.988 -1.601 324 HG23 VAL 40 2HG2 VAL 40 -2.813 6.440 -2.707 325 H VAL 41 H VAL 41 1.740 7.179 -4.885 326 HA VAL 41 HA VAL 41 1.280 4.616 -5.955 327 HB VAL 41 HB VAL 41 3.564 6.469 -6.633 328 HG11 VAL 41 1HG1 VAL 41 2.615 5.107 -8.893 329 HG12 VAL 41 2HG1 VAL 41 2.755 3.899 -7.616 330 HG13 VAL 41 3HG1 VAL 41 4.153 4.876 -8.062 331 HG21 VAL 41 3HG2 VAL 41 2.194 7.770 -7.872 332 HG22 VAL 41 1HG2 VAL 41 0.972 7.196 -6.738 333 HG23 VAL 41 2HG2 VAL 41 1.142 6.426 -8.315 334 H GLU 42 H GLU 42 4.275 5.995 -4.579 335 HA GLU 42 HA GLU 42 5.792 3.672 -4.638 336 HB2 GLU 42 2HB GLU 42 5.875 6.143 -2.953 337 HB3 GLU 42 1HB GLU 42 6.948 4.801 -2.577 338 HG2 GLU 42 2HG GLU 42 7.444 4.997 -5.183 339 HG3 GLU 42 1HG GLU 42 6.968 6.665 -4.869 340 H VAL 43 H VAL 43 3.679 4.902 -2.112 341 HA VAL 43 HA VAL 43 4.176 2.917 -0.194 342 HB VAL 43 HB VAL 43 3.016 4.670 0.736 343 HG11 VAL 43 1HG1 VAL 43 1.972 6.153 -0.535 344 HG12 VAL 43 2HG1 VAL 43 0.662 5.009 -0.815 345 HG13 VAL 43 3HG1 VAL 43 2.054 5.035 -1.896 346 HG21 VAL 43 3HG2 VAL 43 1.874 2.348 1.025 347 HG22 VAL 43 1HG2 VAL 43 0.582 3.108 0.104 348 HG23 VAL 43 2HG2 VAL 43 1.092 3.807 1.636 349 H VAL 44 H VAL 44 1.635 3.166 -2.631 350 HA VAL 44 HA VAL 44 0.303 0.784 -2.049 351 HB VAL 44 HB VAL 44 -0.683 0.900 -4.226 352 HG11 VAL 44 1HG1 VAL 44 -0.699 3.698 -4.207 353 HG12 VAL 44 2HG1 VAL 44 -0.457 3.208 -2.531 354 HG13 VAL 44 3HG1 VAL 44 -1.851 2.612 -3.431 355 HG21 VAL 44 3HG2 VAL 44 1.131 3.072 -5.149 356 HG22 VAL 44 1HG2 VAL 44 0.214 1.893 -6.086 357 HG23 VAL 44 2HG2 VAL 44 1.688 1.402 -5.253 358 H PHE 45 H PHE 45 3.164 1.437 -3.966 359 HA PHE 45 HA PHE 45 3.377 -1.177 -5.072 360 HB2 PHE 45 2HB PHE 45 5.374 1.071 -4.769 361 HB3 PHE 45 1HB PHE 45 5.741 -0.445 -5.588 362 HD1 PHE 45 1HD PHE 45 2.958 -0.765 -6.838 363 HD2 PHE 45 2HD PHE 45 5.688 2.494 -6.652 364 HE1 PHE 45 1HE PHE 45 2.023 0.132 -8.930 365 HE2 PHE 45 2HE PHE 45 4.759 3.397 -8.744 366 HZ PHE 45 HZ PHE 45 2.924 2.217 -9.885 367 H ALA 46 H ALA 46 4.125 0.267 -2.069 368 HA ALA 46 HA ALA 46 6.110 -1.611 -1.247 369 HB1 ALA 46 1HB ALA 46 4.517 0.422 0.291 370 HB2 ALA 46 2HB ALA 46 6.178 0.576 -0.283 371 HB3 ALA 46 3HB ALA 46 5.790 -0.576 0.995 372 H ILE 47 H ILE 47 2.914 -0.915 0.073 373 HA ILE 47 HA ILE 47 2.613 -3.253 1.544 374 HB ILE 47 HB ILE 47 0.102 -2.813 1.249 375 HG12 ILE 47 2HG1 ILE 47 1.300 -0.754 -0.516 376 HG13 ILE 47 1HG1 ILE 47 -0.266 -1.549 -0.617 377 HG21 ILE 47 1HG2 ILE 47 1.005 -0.311 2.323 378 HG22 ILE 47 2HG2 ILE 47 2.085 -1.612 2.821 379 HG23 ILE 47 3HG2 ILE 47 0.358 -1.720 3.162 380 HD11 ILE 47 3HD1 ILE 47 -1.230 0.245 0.220 381 HD12 ILE 47 1HD1 ILE 47 0.340 1.036 0.324 382 HD13 ILE 47 2HD1 ILE 47 -0.262 0.099 1.688 383 H GLU 48 H GLU 48 1.610 -2.531 -1.784 384 HA GLU 48 HA GLU 48 0.271 -4.899 -2.342 385 HB2 GLU 48 2HB GLU 48 0.188 -3.040 -3.880 386 HB3 GLU 48 1HB GLU 48 1.922 -3.134 -4.152 387 HG2 GLU 48 2HG GLU 48 -0.109 -5.206 -4.950 388 HG3 GLU 48 1HG GLU 48 0.686 -4.056 -6.024 389 H GLN 49 H GLN 49 3.681 -4.146 -2.365 390 HA GLN 49 HA GLN 49 4.679 -6.428 -3.617 391 HB2 GLN 49 2HB GLN 49 5.778 -4.505 -1.605 392 HB3 GLN 49 1HB GLN 49 6.683 -5.968 -1.967 393 HG2 GLN 49 2HG GLN 49 6.979 -5.357 -4.215 394 HG3 GLN 49 1HG GLN 49 5.751 -4.096 -4.117 395 HE21 GLN 49 1HE2 GLN 49 7.309 -2.640 -4.962 396 HE22 GLN 49 2HE2 GLN 49 8.529 -1.963 -3.943 397 H GLU 50 H GLU 50 4.183 -5.832 -0.136 398 HA GLU 50 HA GLU 50 4.407 -8.693 0.322 399 HB2 GLU 50 2HB GLU 50 5.880 -7.528 1.752 400 HB3 GLU 50 1HB GLU 50 4.667 -6.317 2.140 401 HG2 GLU 50 2HG GLU 50 5.225 -8.058 3.913 402 HG3 GLU 50 1HG GLU 50 3.524 -7.741 3.578 403 H PHE 51 H PHE 51 2.058 -7.597 -0.869 404 HA PHE 51 HA PHE 51 0.104 -8.260 1.187 405 HB2 PHE 51 2HB PHE 51 0.170 -5.938 -0.656 406 HB3 PHE 51 1HB PHE 51 -1.396 -6.685 -0.372 407 HD1 PHE 51 2HD PHE 51 0.533 -7.195 2.483 408 HD2 PHE 51 1HD PHE 51 -1.637 -4.168 0.426 409 HE1 PHE 51 2HE PHE 51 0.315 -5.930 4.582 410 HE2 PHE 51 1HE PHE 51 -1.859 -2.898 2.521 411 HZ PHE 51 HZ PHE 51 -0.883 -3.778 4.602 412 H ILE 52 H ILE 52 1.323 -8.804 -1.940 413 HA ILE 52 HA ILE 52 0.790 -10.307 -3.564 414 HB ILE 52 HB ILE 52 -1.474 -11.497 -2.072 415 HG12 ILE 52 2HG1 ILE 52 0.939 -12.596 -1.003 416 HG13 ILE 52 1HG1 ILE 52 0.943 -10.856 -0.731 417 HG21 ILE 52 1HG2 ILE 52 -0.446 -13.569 -2.807 418 HG22 ILE 52 2HG2 ILE 52 0.963 -12.683 -3.392 419 HG23 ILE 52 3HG2 ILE 52 -0.607 -12.451 -4.161 420 HD11 ILE 52 3HD1 ILE 52 -1.094 -12.860 0.183 421 HD12 ILE 52 1HD1 ILE 52 -1.359 -11.117 0.241 422 HD13 ILE 52 2HD1 ILE 52 -0.044 -11.842 1.167 423 H LEU 53 H LEU 53 -0.546 -7.722 -3.354 424 HA LEU 53 HA LEU 53 -2.406 -8.009 -5.444 425 HB2 LEU 53 2HB LEU 53 -4.388 -8.201 -4.447 426 HB3 LEU 53 1HB LEU 53 -3.522 -8.566 -2.966 427 HG LEU 53 HG LEU 53 -3.483 -5.879 -2.842 428 HD11 LEU 53 1HD1 LEU 53 -6.002 -6.596 -4.330 429 HD12 LEU 53 2HD1 LEU 53 -4.717 -5.518 -4.873 430 HD13 LEU 53 3HD1 LEU 53 -5.726 -5.065 -3.500 431 HD21 LEU 53 3HD2 LEU 53 -5.594 -7.814 -1.924 432 HD22 LEU 53 1HD2 LEU 53 -5.571 -6.122 -1.428 433 HD23 LEU 53 2HD2 LEU 53 -4.220 -7.179 -1.017 434 H ASP 54 H ASP 54 -2.606 -6.099 -6.488 435 HA ASP 54 HA ASP 54 -1.304 -3.809 -5.301 436 HB2 ASP 54 2HB ASP 54 -2.166 -3.194 -7.920 437 HB3 ASP 54 1HB ASP 54 -0.526 -3.532 -7.375 438 H ILE 55 H ILE 55 -2.259 -1.827 -4.978 439 HA ILE 55 HA ILE 55 -5.173 -1.839 -4.957 440 HB ILE 55 HB ILE 55 -3.858 -1.332 -2.854 441 HG12 ILE 55 2HG1 ILE 55 -6.082 0.252 -4.012 442 HG13 ILE 55 1HG1 ILE 55 -6.040 -0.729 -2.551 443 HG21 ILE 55 1HG2 ILE 55 -3.334 1.236 -4.343 444 HG22 ILE 55 2HG2 ILE 55 -2.132 0.058 -3.813 445 HG23 ILE 55 3HG2 ILE 55 -3.044 0.985 -2.621 446 HD11 ILE 55 3HD1 ILE 55 -6.348 1.732 -2.206 447 HD12 ILE 55 1HD1 ILE 55 -4.691 1.944 -2.772 448 HD13 ILE 55 2HD1 ILE 55 -5.012 1.004 -1.314 449 HA PRO 56 HA PRO 56 -3.188 2.121 -7.410 450 HB2 PRO 56 2HB PRO 56 -2.415 0.069 -9.448 451 HB3 PRO 56 1HB PRO 56 -1.685 1.643 -9.106 452 HG2 PRO 56 2HG PRO 56 -0.559 -0.609 -8.225 453 HG3 PRO 56 1HG PRO 56 -0.557 0.867 -7.242 454 HD2 PRO 56 2HD PRO 56 -2.126 -1.626 -6.905 455 HD3 PRO 56 1HD PRO 56 -1.601 -0.446 -5.689 456 H ASP 57 H ASP 57 -3.710 2.221 -10.075 457 HA ASP 57 HA ASP 57 -5.379 2.351 -11.616 458 HB2 ASP 57 2HB ASP 57 -6.445 -0.117 -10.224 459 HB3 ASP 57 1HB ASP 57 -6.957 0.475 -11.801 460 H HIS 58 H HIS 58 -7.965 2.316 -11.715 461 HA HIS 58 HA HIS 58 -8.882 4.447 -10.245 462 HB2 HIS 58 2HB HIS 58 -11.189 3.624 -10.819 463 HB3 HIS 58 1HB HIS 58 -10.089 3.742 -12.189 464 HD1 HIS 58 1HD HIS 58 -12.659 1.837 -11.908 465 HD2 HIS 58 2HD HIS 58 -8.671 0.725 -11.557 466 HE1 HIS 58 1HE HIS 58 -12.601 -0.624 -12.420 467 HE2 HIS 58 2HE HIS 58 -10.189 -1.292 -12.118 468 H ASP 59 H ASP 59 -8.333 1.285 -9.153 469 HA ASP 59 HA ASP 59 -10.294 1.123 -7.120 470 HB2 ASP 59 2HB ASP 59 -7.661 -0.248 -6.813 471 HB3 ASP 59 1HB ASP 59 -9.284 -0.857 -6.504 472 H ALA 60 H ALA 60 -6.903 2.170 -7.121 473 HA ALA 60 HA ALA 60 -6.974 2.845 -4.329 474 HB1 ALA 60 1HB ALA 60 -4.889 3.249 -6.458 475 HB2 ALA 60 2HB ALA 60 -4.895 2.052 -5.163 476 HB3 ALA 60 3HB ALA 60 -4.684 3.760 -4.782 477 H GLU 61 H GLU 61 -7.393 4.474 -7.359 478 HA GLU 61 HA GLU 61 -7.147 7.120 -6.299 479 HB2 GLU 61 2HB GLU 61 -7.399 7.854 -8.450 480 HB3 GLU 61 1HB GLU 61 -6.901 6.199 -8.775 481 HG2 GLU 61 2HG GLU 61 -9.316 5.588 -8.936 482 HG3 GLU 61 1HG GLU 61 -9.696 7.307 -8.820 483 H LYS 62 H LYS 62 -9.731 4.835 -6.788 484 HA LYS 62 HA LYS 62 -11.866 6.695 -6.486 485 HB2 LYS 62 2HB LYS 62 -11.577 3.768 -6.718 486 HB3 LYS 62 1HB LYS 62 -12.982 4.312 -5.813 487 HG2 LYS 62 2HG LYS 62 -12.289 4.803 -8.681 488 HG3 LYS 62 1HG LYS 62 -13.760 4.113 -7.992 489 HD2 LYS 62 2HD LYS 62 -14.627 6.160 -8.290 490 HD3 LYS 62 1HD LYS 62 -13.706 6.593 -6.849 491 HE2 LYS 62 2HE LYS 62 -13.043 8.228 -8.332 492 HE3 LYS 62 1HE LYS 62 -11.778 7.020 -8.545 493 HZ1 LYS 62 3HZ LYS 62 -12.278 7.041 -10.691 494 HZ2 LYS 62 1HZ LYS 62 -13.639 8.015 -10.442 495 HZ3 LYS 62 2HZ LYS 62 -13.769 6.333 -10.319 496 H ILE 63 H ILE 63 -9.603 5.722 -4.326 497 HA ILE 63 HA ILE 63 -11.433 5.788 -2.048 498 HB ILE 63 HB ILE 63 -9.506 3.970 -2.503 499 HG12 ILE 63 2HG1 ILE 63 -9.632 4.549 0.346 500 HG13 ILE 63 1HG1 ILE 63 -11.216 4.666 -0.415 501 HG21 ILE 63 1HG2 ILE 63 -8.162 5.860 -0.597 502 HG22 ILE 63 2HG2 ILE 63 -7.818 5.872 -2.327 503 HG23 ILE 63 3HG2 ILE 63 -7.501 4.422 -1.374 504 HD11 ILE 63 3HD1 ILE 63 -9.757 2.348 0.345 505 HD12 ILE 63 1HD1 ILE 63 -10.003 2.326 -1.401 506 HD13 ILE 63 2HD1 ILE 63 -11.387 2.470 -0.319 507 H GLN 64 H GLN 64 -11.565 7.612 -0.920 508 HA GLN 64 HA GLN 64 -9.316 9.465 -0.997 509 HB2 GLN 64 2HB GLN 64 -12.227 10.182 -0.669 510 HB3 GLN 64 1HB GLN 64 -10.884 11.307 -0.808 511 HG2 GLN 64 2HG GLN 64 -11.420 11.388 -2.965 512 HG3 GLN 64 1HG GLN 64 -10.608 9.827 -3.078 513 HE21 GLN 64 1HE2 GLN 64 -11.977 7.910 -2.746 514 HE22 GLN 64 2HE2 GLN 64 -13.602 7.953 -3.332 515 H SER 65 H SER 65 -11.196 7.479 0.939 516 HA SER 65 HA SER 65 -10.741 9.044 3.369 517 HB2 SER 65 2HB SER 65 -11.988 6.436 3.747 518 HB3 SER 65 1HB SER 65 -12.577 8.037 4.193 519 HG SER 65 HG SER 65 -13.440 8.278 2.167 520 H ILE 66 H ILE 66 -9.378 8.459 4.960 521 HA ILE 66 HA ILE 66 -7.190 6.793 4.352 522 HB ILE 66 HB ILE 66 -7.566 7.244 7.203 523 HG12 ILE 66 2HG1 ILE 66 -8.918 9.122 6.511 524 HG13 ILE 66 1HG1 ILE 66 -7.353 9.728 7.039 525 HG21 ILE 66 1HG2 ILE 66 -5.384 6.874 6.643 526 HG22 ILE 66 2HG2 ILE 66 -5.402 8.637 6.609 527 HG23 ILE 66 3HG2 ILE 66 -5.518 7.724 5.104 528 HD11 ILE 66 3HD1 ILE 66 -8.662 9.984 4.487 529 HD12 ILE 66 1HD1 ILE 66 -7.044 9.303 4.319 530 HD13 ILE 66 2HD1 ILE 66 -7.269 10.851 5.135 531 HA PRO 67 HA PRO 67 -9.262 3.760 7.564 532 HB2 PRO 67 2HB PRO 67 -11.983 3.965 7.706 533 HB3 PRO 67 1HB PRO 67 -10.882 4.785 8.818 534 HG2 PRO 67 2HG PRO 67 -12.283 5.858 6.401 535 HG3 PRO 67 1HG PRO 67 -12.044 6.615 7.987 536 HD2 PRO 67 2HD PRO 67 -10.529 7.255 5.852 537 HD3 PRO 67 1HD PRO 67 -9.872 7.242 7.502 538 H ASP 68 H ASP 68 -11.117 4.785 4.728 539 HA ASP 68 HA ASP 68 -12.164 2.256 4.074 540 HB2 ASP 68 2HB ASP 68 -12.065 4.896 2.871 541 HB3 ASP 68 1HB ASP 68 -11.883 3.627 1.662 542 H ALA 69 H ALA 69 -9.092 3.746 3.520 543 HA ALA 69 HA ALA 69 -8.212 2.017 1.453 544 HB1 ALA 69 1HB ALA 69 -6.222 3.152 1.519 545 HB2 ALA 69 2HB ALA 69 -6.282 3.365 3.269 546 HB3 ALA 69 3HB ALA 69 -7.309 4.348 2.225 547 H VAL 70 H VAL 70 -7.216 2.248 4.838 548 HA VAL 70 HA VAL 70 -5.827 -0.205 4.862 549 HB VAL 70 HB VAL 70 -5.646 1.770 6.517 550 HG11 VAL 70 1HG1 VAL 70 -7.475 2.175 7.721 551 HG12 VAL 70 2HG1 VAL 70 -7.111 0.696 8.611 552 HG13 VAL 70 3HG1 VAL 70 -8.217 0.650 7.238 553 HG21 VAL 70 3HG2 VAL 70 -5.693 -0.802 8.001 554 HG22 VAL 70 1HG2 VAL 70 -4.437 0.434 7.914 555 HG23 VAL 70 2HG2 VAL 70 -4.661 -0.691 6.574 556 H GLU 71 H GLU 71 -9.150 0.569 5.105 557 HA GLU 71 HA GLU 71 -10.053 -1.635 6.617 558 HB2 GLU 71 2HB GLU 71 -11.263 0.436 4.907 559 HB3 GLU 71 1HB GLU 71 -12.169 -1.067 4.998 560 HG2 GLU 71 2HG GLU 71 -11.364 0.716 7.279 561 HG3 GLU 71 1HG GLU 71 -12.992 0.416 6.671 562 H TYR 72 H TYR 72 -9.876 -1.097 3.104 563 HA TYR 72 HA TYR 72 -10.836 -3.626 2.358 564 HB2 TYR 72 2HB TYR 72 -10.547 -2.894 0.238 565 HB3 TYR 72 1HB TYR 72 -10.208 -1.348 1.009 566 HD1 TYR 72 2HD TYR 72 -8.411 -4.488 0.059 567 HD2 TYR 72 1HD TYR 72 -8.279 -0.249 0.385 568 HE1 TYR 72 2HE TYR 72 -6.167 -4.487 -0.947 569 HE2 TYR 72 1HE TYR 72 -6.035 -0.235 -0.622 570 HH TYR 72 HH TYR 72 -4.339 -3.241 -1.373 571 H ILE 73 H ILE 73 -7.560 -2.408 2.774 572 HA ILE 73 HA ILE 73 -6.217 -4.760 2.037 573 HB ILE 73 HB ILE 73 -5.265 -2.652 3.935 574 HG12 ILE 73 2HG1 ILE 73 -4.338 -2.687 1.129 575 HG13 ILE 73 1HG1 ILE 73 -6.012 -2.202 1.375 576 HG21 ILE 73 1HG2 ILE 73 -3.495 -4.307 2.201 577 HG22 ILE 73 2HG2 ILE 73 -4.084 -4.955 3.731 578 HG23 ILE 73 3HG2 ILE 73 -3.123 -3.476 3.712 579 HD11 ILE 73 3HD1 ILE 73 -4.185 -0.893 3.212 580 HD12 ILE 73 1HD1 ILE 73 -5.417 -0.208 2.155 581 HD13 ILE 73 2HD1 ILE 73 -3.813 -0.570 1.519 582 H ALA 74 H ALA 74 -7.548 -3.670 5.068 583 HA ALA 74 HA ALA 74 -6.337 -5.594 6.730 584 HB1 ALA 74 1HB ALA 74 -8.633 -3.738 6.972 585 HB2 ALA 74 2HB ALA 74 -7.213 -3.923 8.002 586 HB3 ALA 74 3HB ALA 74 -8.541 -5.079 8.113 587 H GLN 75 H GLN 75 -9.496 -5.503 5.168 588 HA GLN 75 HA GLN 75 -10.166 -8.151 6.002 589 HB2 GLN 75 2HB GLN 75 -11.481 -5.998 4.460 590 HB3 GLN 75 1HB GLN 75 -11.995 -7.640 4.102 591 HG2 GLN 75 2HG GLN 75 -13.438 -6.661 5.763 592 HG3 GLN 75 1HG GLN 75 -12.512 -7.980 6.472 593 HE21 GLN 75 1HE2 GLN 75 -11.035 -4.949 5.786 594 HE22 GLN 75 2HE2 GLN 75 -10.886 -4.412 7.418 595 H ASN 76 H ASN 76 -10.425 -6.996 2.698 596 HA ASN 76 HA ASN 76 -10.221 -9.147 1.226 597 HB2 ASN 76 2HB ASN 76 -8.966 -6.493 0.906 598 HB3 ASN 76 1HB ASN 76 -8.297 -7.765 -0.114 599 HD21 ASN 76 1HD2 ASN 76 -10.371 -5.338 -0.165 600 HD22 ASN 76 2HD2 ASN 76 -11.554 -5.934 -1.273 601 HA PRO 77 HA PRO 77 -5.407 -9.841 1.506 602 HB2 PRO 77 2HB PRO 77 -4.785 -7.993 3.759 603 HB3 PRO 77 1HB PRO 77 -3.832 -8.376 2.321 604 HG2 PRO 77 2HG PRO 77 -5.113 -6.060 2.487 605 HG3 PRO 77 1HG PRO 77 -5.077 -6.959 0.959 606 HD2 PRO 77 2HD PRO 77 -7.292 -6.720 2.962 607 HD3 PRO 77 1HD PRO 77 -7.366 -6.732 1.188 608 H MET 78 H MET 78 -7.164 -9.041 4.505 609 HA MET 78 HA MET 78 -5.866 -10.982 6.105 610 HB2 MET 78 2HB MET 78 -6.968 -9.281 7.290 611 HB3 MET 78 1HB MET 78 -8.448 -9.470 6.361 612 HG2 MET 78 2HG MET 78 -8.451 -11.855 7.446 613 HG3 MET 78 1HG MET 78 -7.422 -11.072 8.644 614 HE1 MET 78 3HE MET 78 -11.900 -10.564 8.023 615 HE2 MET 78 1HE MET 78 -10.836 -11.831 7.413 616 HE3 MET 78 2HE MET 78 -10.846 -10.242 6.646 617 H ALA 79 H ALA 79 -8.269 -11.214 3.692 618 HA ALA 79 HA ALA 79 -9.368 -13.692 4.640 619 HB1 ALA 79 1HB ALA 79 -10.336 -11.700 3.029 620 HB2 ALA 79 2HB ALA 79 -11.060 -13.294 3.240 621 HB3 ALA 79 3HB ALA 79 -9.974 -12.992 1.884 622 H LYS 80 H LYS 80 -7.059 -12.600 2.273 623 HA LYS 80 HA LYS 80 -6.784 -14.984 0.812 624 HB2 LYS 80 2HB LYS 80 -4.473 -14.037 0.274 625 HB3 LYS 80 1HB LYS 80 -5.862 -13.054 -0.169 626 HG2 LYS 80 2HG LYS 80 -5.511 -11.573 1.636 627 HG3 LYS 80 1HG LYS 80 -4.343 -12.660 2.392 628 HD2 LYS 80 2HD LYS 80 -2.819 -12.321 0.498 629 HD3 LYS 80 1HD LYS 80 -3.985 -11.217 -0.235 630 HE2 LYS 80 2HE LYS 80 -2.768 -9.645 0.828 631 HE3 LYS 80 1HE LYS 80 -3.750 -10.115 2.215 632 HZ1 LYS 80 3HZ LYS 80 -1.652 -11.889 2.174 633 HZ2 LYS 80 1HZ LYS 80 -1.853 -10.587 3.236 634 HZ3 LYS 80 2HZ LYS 80 -0.948 -10.392 1.820 635 H282 PNS 101 8H2 PNS 101 1.952 15.123 -11.133 636 H281 PNS 101 9H2 PNS 101 1.538 13.419 -11.346 637 H303 PNS 101 0H3 PNS 101 5.243 14.451 -9.605 638 H302 PNS 101 1H3 PNS 101 3.718 14.956 -8.880 639 H301 PNS 101 2H3 PNS 101 4.288 15.727 -10.360 640 H313 PNS 101 3H3 PNS 101 2.717 11.881 -10.045 641 H312 PNS 101 4H3 PNS 101 3.925 12.541 -8.941 642 H311 PNS 101 5H3 PNS 101 4.425 11.851 -10.485 643 H32 PNS 101 6H3 PNS 101 3.277 13.238 -12.538 644 H33 PNS 101 7H3 PNS 101 3.817 15.663 -12.111 645 H36 PNS 101 8H3 PNS 101 5.878 12.928 -10.505 646 H372 PNS 101 9H3 PNS 101 7.665 11.806 -12.452 647 H371 PNS 101 0H4 PNS 101 8.076 12.375 -10.835 648 H382 PNS 101 1H4 PNS 101 7.876 14.717 -11.716 649 H381 PNS 101 2H4 PNS 101 9.218 13.775 -12.367 650 H41 PNS 101 3H4 PNS 101 5.702 14.497 -13.499 651 H422 PNS 101 4H4 PNS 101 7.115 16.558 -14.848 652 H421 PNS 101 5H4 PNS 101 5.567 16.708 -14.017 653 H431 PNS 101 7H4 PNS 101 6.989 18.148 -12.841 654 H432 PNS 101 6H4 PNS 101 6.955 16.682 -11.851 655 H44 PNS 101 8H4 PNS 101 9.274 16.569 -13.762 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -3.584 -9.364 8.516 2 H2 MET 1 2HT MET 1 -4.461 -10.522 9.431 3 H3 MET 1 3HT MET 1 -3.109 -9.723 10.124 4 HA MET 1 HA MET 1 -5.405 -8.207 9.148 5 HB2 MET 1 2HB MET 1 -5.872 -8.417 11.815 6 HB3 MET 1 1HB MET 1 -6.667 -9.404 10.596 7 HG2 MET 1 2HG MET 1 -5.747 -11.260 11.376 8 HG3 MET 1 1HG MET 1 -4.135 -10.545 11.371 9 HE1 MET 1 2HE MET 1 -4.388 -12.521 13.989 10 HE2 MET 1 3HE MET 1 -3.476 -11.281 14.851 11 HE3 MET 1 1HE MET 1 -3.180 -11.560 13.135 12 H ASN 2 H ASN 2 -3.603 -8.452 12.197 13 HA ASN 2 HA ASN 2 -3.215 -5.641 12.318 14 HB2 ASN 2 2HB ASN 2 -1.876 -7.783 13.972 15 HB3 ASN 2 1HB ASN 2 -1.972 -6.067 14.361 16 HD21 ASN 2 1HD2 ASN 2 -3.285 -5.832 16.017 17 HD22 ASN 2 2HD2 ASN 2 -4.831 -6.580 16.205 18 H ASP 3 H ASP 3 -1.295 -8.327 11.237 19 HA ASP 3 HA ASP 3 1.230 -7.133 11.237 20 HB2 ASP 3 2HB ASP 3 1.808 -8.811 9.490 21 HB3 ASP 3 1HB ASP 3 0.997 -9.511 10.888 22 H VAL 4 H VAL 4 -1.344 -7.036 8.860 23 HA VAL 4 HA VAL 4 0.149 -5.688 6.855 24 HB VAL 4 HB VAL 4 -2.115 -5.169 5.877 25 HG11 VAL 4 1HG1 VAL 4 -1.272 -7.037 4.898 26 HG12 VAL 4 2HG1 VAL 4 -2.644 -7.774 5.727 27 HG13 VAL 4 3HG1 VAL 4 -1.030 -7.869 6.434 28 HG21 VAL 4 3HG2 VAL 4 -4.055 -6.282 6.852 29 HG22 VAL 4 1HG2 VAL 4 -3.368 -5.110 7.976 30 HG23 VAL 4 2HG2 VAL 4 -3.068 -6.833 8.206 31 H LEU 5 H LEU 5 -2.263 -4.563 9.211 32 HA LEU 5 HA LEU 5 -2.144 -1.855 8.455 33 HB2 LEU 5 2HB LEU 5 -3.486 -3.453 10.422 34 HB3 LEU 5 1HB LEU 5 -2.906 -1.968 11.148 35 HG LEU 5 HG LEU 5 -4.046 -0.909 8.987 36 HD11 LEU 5 1HD1 LEU 5 -5.029 -3.655 9.095 37 HD12 LEU 5 2HD1 LEU 5 -5.105 -2.471 7.789 38 HD13 LEU 5 3HD1 LEU 5 -6.311 -2.443 9.076 39 HD21 LEU 5 3HD2 LEU 5 -5.973 -0.425 10.344 40 HD22 LEU 5 1HD2 LEU 5 -4.536 -0.422 11.367 41 HD23 LEU 5 2HD2 LEU 5 -5.632 -1.803 11.389 42 H THR 6 H THR 6 -0.368 -3.757 10.770 43 HA THR 6 HA THR 6 0.807 -1.671 12.219 44 HB THR 6 HB THR 6 0.908 -4.462 12.248 45 HG1 THR 6 1HG THR 6 2.395 -2.698 13.884 46 HG21 THR 6 3HG2 THR 6 3.435 -4.648 12.764 47 HG22 THR 6 1HG2 THR 6 3.576 -3.271 11.670 48 HG23 THR 6 2HG2 THR 6 2.873 -4.784 11.097 49 H ARG 7 H ARG 7 2.238 -3.627 9.639 50 HA ARG 7 HA ARG 7 4.500 -1.912 9.405 51 HB2 ARG 7 2HB ARG 7 4.496 -4.397 8.958 52 HB3 ARG 7 1HB ARG 7 3.634 -4.050 7.466 53 HG2 ARG 7 2HG ARG 7 5.889 -2.360 7.520 54 HG3 ARG 7 1HG ARG 7 6.433 -3.975 7.982 55 HD2 ARG 7 2HD ARG 7 4.637 -3.574 5.618 56 HD3 ARG 7 1HD ARG 7 6.377 -3.336 5.476 57 HE ARG 7 HE ARG 7 5.375 -5.871 6.548 58 HH11 ARG 7 1HH1 ARG 7 6.941 -4.087 4.001 59 HH12 ARG 7 2HH1 ARG 7 7.547 -5.501 3.205 60 HH21 ARG 7 1HH2 ARG 7 6.169 -7.740 5.510 61 HH22 ARG 7 2HH2 ARG 7 7.108 -7.578 4.063 62 H VAL 8 H VAL 8 1.556 -2.479 7.570 63 HA VAL 8 HA VAL 8 2.195 -0.840 5.377 64 HB VAL 8 HB VAL 8 0.285 -2.585 5.652 65 HG11 VAL 8 1HG1 VAL 8 -1.879 -1.672 6.189 66 HG12 VAL 8 2HG1 VAL 8 -1.182 -0.072 6.441 67 HG13 VAL 8 3HG1 VAL 8 -0.783 -1.391 7.541 68 HG21 VAL 8 3HG2 VAL 8 -1.056 -0.684 4.101 69 HG22 VAL 8 1HG2 VAL 8 0.063 -1.929 3.544 70 HG23 VAL 8 2HG2 VAL 8 0.661 -0.314 3.931 71 H LEU 9 H LEU 9 0.216 -0.195 8.276 72 HA LEU 9 HA LEU 9 -0.409 2.468 7.647 73 HB2 LEU 9 2HB LEU 9 -1.430 2.513 9.660 74 HB3 LEU 9 1HB LEU 9 -1.136 0.792 9.621 75 HG LEU 9 HG LEU 9 1.139 1.552 10.796 76 HD11 LEU 9 1HD1 LEU 9 0.747 3.899 10.786 77 HD12 LEU 9 2HD1 LEU 9 0.570 3.336 12.448 78 HD13 LEU 9 3HD1 LEU 9 -0.861 3.691 11.480 79 HD21 LEU 9 3HD2 LEU 9 -0.003 1.128 12.967 80 HD22 LEU 9 1HD2 LEU 9 -0.335 -0.077 11.724 81 HD23 LEU 9 2HD2 LEU 9 -1.542 1.152 12.104 82 H GLU 10 H GLU 10 2.267 1.103 9.516 83 HA GLU 10 HA GLU 10 3.462 3.558 10.211 84 HB2 GLU 10 2HB GLU 10 5.342 2.270 10.932 85 HB3 GLU 10 1HB GLU 10 3.892 1.355 11.323 86 HG2 GLU 10 2HG GLU 10 4.393 -0.310 9.898 87 HG3 GLU 10 1HG GLU 10 5.105 0.775 8.705 88 H VAL 11 H VAL 11 3.724 1.489 7.431 89 HA VAL 11 HA VAL 11 6.073 2.422 6.309 90 HB VAL 11 HB VAL 11 3.631 1.269 5.111 91 HG11 VAL 11 1HG1 VAL 11 5.717 1.243 3.200 92 HG12 VAL 11 2HG1 VAL 11 5.473 2.908 3.723 93 HG13 VAL 11 3HG1 VAL 11 4.122 1.982 3.070 94 HG21 VAL 11 3HG2 VAL 11 6.330 0.094 4.831 95 HG22 VAL 11 1HG2 VAL 11 4.769 -0.697 5.041 96 HG23 VAL 11 2HG2 VAL 11 5.573 0.050 6.422 97 H VAL 12 H VAL 12 2.788 3.565 5.748 98 HA VAL 12 HA VAL 12 3.526 5.612 3.934 99 HB VAL 12 HB VAL 12 1.313 6.190 3.841 100 HG11 VAL 12 1HG1 VAL 12 0.433 4.202 3.381 101 HG12 VAL 12 2HG1 VAL 12 0.360 3.776 5.090 102 HG13 VAL 12 3HG1 VAL 12 1.829 3.467 4.167 103 HG21 VAL 12 3HG2 VAL 12 0.944 5.370 6.720 104 HG22 VAL 12 1HG2 VAL 12 -0.244 6.167 5.690 105 HG23 VAL 12 2HG2 VAL 12 1.224 7.019 6.165 106 H LYS 13 H LYS 13 2.600 5.739 7.370 107 HA LYS 13 HA LYS 13 2.943 8.503 7.694 108 HB2 LYS 13 2HB LYS 13 3.358 6.450 9.859 109 HB3 LYS 13 1HB LYS 13 2.796 8.106 10.035 110 HG2 LYS 13 2HG LYS 13 0.707 7.573 8.989 111 HG3 LYS 13 1HG LYS 13 1.277 5.944 8.592 112 HD2 LYS 13 2HD LYS 13 1.511 5.495 11.019 113 HD3 LYS 13 1HD LYS 13 0.808 7.080 11.350 114 HE2 LYS 13 2HE LYS 13 -0.509 4.753 9.957 115 HE3 LYS 13 1HE LYS 13 -0.916 5.420 11.538 116 HZ1 LYS 13 3HZ LYS 13 -1.147 6.910 8.979 117 HZ2 LYS 13 1HZ LYS 13 -1.661 7.432 10.504 118 HZ3 LYS 13 2HZ LYS 13 -2.435 6.131 9.751 119 H ASN 14 H ASN 14 5.258 5.902 7.710 120 HA ASN 14 HA ASN 14 7.324 7.674 8.721 121 HB2 ASN 14 2HB ASN 14 7.498 4.714 8.161 122 HB3 ASN 14 1HB ASN 14 8.699 5.692 8.998 123 HD21 ASN 14 1HD2 ASN 14 6.495 3.449 9.528 124 HD22 ASN 14 2HD2 ASN 14 5.954 3.877 11.110 125 H PHE 15 H PHE 15 6.022 6.879 5.838 126 HA PHE 15 HA PHE 15 8.525 6.856 4.384 127 HB2 PHE 15 2HB PHE 15 7.319 5.262 3.328 128 HB3 PHE 15 1HB PHE 15 5.785 5.937 3.858 129 HD1 PHE 15 1HD PHE 15 8.568 7.111 1.660 130 HD2 PHE 15 2HD PHE 15 4.403 6.422 2.145 131 HE1 PHE 15 1HE PHE 15 8.171 7.982 -0.607 132 HE2 PHE 15 2HE PHE 15 3.989 7.292 -0.124 133 HZ PHE 15 HZ PHE 15 5.877 8.073 -1.502 134 H GLU 16 H GLU 16 6.470 9.108 5.581 135 HA GLU 16 HA GLU 16 6.864 11.419 5.258 136 HB2 GLU 16 2HB GLU 16 7.874 12.271 3.375 137 HB3 GLU 16 1HB GLU 16 8.509 10.634 3.369 138 HG2 GLU 16 2HG GLU 16 7.659 10.273 1.373 139 HG3 GLU 16 1HG GLU 16 6.046 10.671 1.954 140 H LYS 17 H LYS 17 4.455 9.827 5.208 141 HA LYS 17 HA LYS 17 2.804 10.988 3.153 142 HB2 LYS 17 2HB LYS 17 2.536 8.813 5.112 143 HB3 LYS 17 1HB LYS 17 1.057 9.706 4.794 144 HG2 LYS 17 2HG LYS 17 1.171 7.803 3.338 145 HG3 LYS 17 1HG LYS 17 1.349 9.276 2.385 146 HD2 LYS 17 2HD LYS 17 3.774 7.841 3.390 147 HD3 LYS 17 1HD LYS 17 2.934 7.258 1.951 148 HE2 LYS 17 2HE LYS 17 3.774 10.125 2.237 149 HE3 LYS 17 1HE LYS 17 4.877 8.897 1.625 150 HZ1 LYS 17 3HZ LYS 17 3.918 9.024 -0.352 151 HZ2 LYS 17 1HZ LYS 17 2.949 10.293 0.208 152 HZ3 LYS 17 2HZ LYS 17 2.393 8.699 0.300 153 H VAL 18 H VAL 18 2.948 11.041 6.706 154 HA VAL 18 HA VAL 18 2.430 13.749 6.990 155 HB VAL 18 HB VAL 18 -0.059 13.072 7.985 156 HG11 VAL 18 1HG1 VAL 18 0.554 15.163 6.889 157 HG12 VAL 18 2HG1 VAL 18 -0.914 14.488 6.182 158 HG13 VAL 18 3HG1 VAL 18 0.624 14.336 5.332 159 HG21 VAL 18 3HG2 VAL 18 -1.085 11.534 6.733 160 HG22 VAL 18 1HG2 VAL 18 0.527 11.058 6.198 161 HG23 VAL 18 2HG2 VAL 18 -0.424 12.190 5.236 162 H ASP 19 H ASP 19 2.008 14.389 9.209 163 HA ASP 19 HA ASP 19 3.280 12.673 11.071 164 HB2 ASP 19 2HB ASP 19 2.657 15.408 10.920 165 HB3 ASP 19 1HB ASP 19 1.814 14.810 12.346 166 H ALA 20 H ALA 20 2.420 11.135 12.312 167 HA ALA 20 HA ALA 20 -0.236 10.322 12.141 168 HB1 ALA 20 1HB ALA 20 0.291 8.959 14.194 169 HB2 ALA 20 2HB ALA 20 1.873 9.739 14.205 170 HB3 ALA 20 3HB ALA 20 1.391 8.743 12.832 171 H SER 21 H SER 21 1.216 12.754 14.086 172 HA SER 21 HA SER 21 -0.692 12.845 16.170 173 HB2 SER 21 2HB SER 21 0.336 15.436 15.868 174 HB3 SER 21 1HB SER 21 0.924 14.183 16.960 175 HG SER 21 HG SER 21 2.415 13.570 15.445 176 H LYS 22 H LYS 22 -1.033 13.510 12.934 177 HA LYS 22 HA LYS 22 -3.240 15.366 13.441 178 HB2 LYS 22 2HB LYS 22 -2.032 16.692 12.058 179 HB3 LYS 22 1HB LYS 22 -1.139 15.338 11.378 180 HG2 LYS 22 2HG LYS 22 -4.009 15.789 10.668 181 HG3 LYS 22 1HG LYS 22 -2.717 16.674 9.855 182 HD2 LYS 22 2HD LYS 22 -2.869 13.669 10.053 183 HD3 LYS 22 1HD LYS 22 -3.416 14.607 8.663 184 HE2 LYS 22 2HE LYS 22 -0.715 13.854 9.480 185 HE3 LYS 22 1HE LYS 22 -1.336 14.296 7.891 186 HZ1 LYS 22 3HZ LYS 22 -0.322 16.061 10.029 187 HZ2 LYS 22 1HZ LYS 22 -1.339 16.662 8.817 188 HZ3 LYS 22 2HZ LYS 22 0.154 15.981 8.408 189 H VAL 23 H VAL 23 -2.353 12.295 12.299 190 HA VAL 23 HA VAL 23 -4.600 11.936 10.544 191 HB VAL 23 HB VAL 23 -3.883 9.594 10.401 192 HG11 VAL 23 1HG1 VAL 23 -2.109 10.024 9.033 193 HG12 VAL 23 2HG1 VAL 23 -1.333 11.103 10.192 194 HG13 VAL 23 3HG1 VAL 23 -2.711 11.668 9.248 195 HG21 VAL 23 3HG2 VAL 23 -1.923 10.420 12.534 196 HG22 VAL 23 1HG2 VAL 23 -1.739 8.964 11.554 197 HG23 VAL 23 2HG2 VAL 23 -3.137 9.143 12.614 198 H THR 24 H THR 24 -6.585 11.365 11.120 199 HA THR 24 HA THR 24 -6.998 10.205 13.761 200 HB THR 24 HB THR 24 -8.119 12.516 12.624 201 HG1 THR 24 1HG THR 24 -8.671 12.782 14.637 202 HG21 THR 24 3HG2 THR 24 -10.331 12.208 12.255 203 HG22 THR 24 1HG2 THR 24 -10.417 10.769 13.273 204 HG23 THR 24 2HG2 THR 24 -9.730 10.664 11.653 205 HA PRO 25 HA PRO 25 -8.985 6.616 12.183 206 HB2 PRO 25 2HB PRO 25 -11.514 6.673 13.286 207 HB3 PRO 25 1HB PRO 25 -10.064 6.125 14.131 208 HG2 PRO 25 2HG PRO 25 -11.441 8.776 14.249 209 HG3 PRO 25 1HG PRO 25 -10.708 7.833 15.560 210 HD2 PRO 25 2HD PRO 25 -9.459 9.952 14.484 211 HD3 PRO 25 1HD PRO 25 -8.559 8.518 15.019 212 H GLU 26 H GLU 26 -10.988 9.520 12.006 213 HA GLU 26 HA GLU 26 -12.242 8.499 9.574 214 HB2 GLU 26 2HB GLU 26 -13.969 10.145 9.896 215 HB3 GLU 26 1HB GLU 26 -13.735 9.277 11.407 216 HG2 GLU 26 2HG GLU 26 -12.514 11.105 12.345 217 HG3 GLU 26 1HG GLU 26 -12.505 11.954 10.799 218 H SER 27 H SER 27 -9.528 9.902 10.134 219 HA SER 27 HA SER 27 -9.574 12.386 8.814 220 HB2 SER 27 2HB SER 27 -7.620 12.218 9.971 221 HB3 SER 27 1HB SER 27 -7.494 10.479 9.710 222 HG SER 27 HG SER 27 -5.961 11.185 8.400 223 H HIS 28 H HIS 28 -9.483 12.946 6.728 224 HA HIS 28 HA HIS 28 -9.837 10.921 4.736 225 HB2 HIS 28 2HB HIS 28 -10.124 13.848 4.893 226 HB3 HIS 28 1HB HIS 28 -9.610 13.239 3.323 227 HD1 HIS 28 1HD HIS 28 -11.309 11.842 1.978 228 HD2 HIS 28 2HD HIS 28 -12.743 13.176 5.644 229 HE1 HIS 28 1HE HIS 28 -13.790 11.441 1.915 230 HE2 HIS 28 2HE HIS 28 -14.624 12.177 4.177 231 H PHE 29 H PHE 29 -8.486 10.556 2.927 232 HA PHE 29 HA PHE 29 -5.722 10.609 3.495 233 HB2 PHE 29 2HB PHE 29 -6.974 8.930 2.044 234 HB3 PHE 29 1HB PHE 29 -6.922 10.147 0.773 235 HD1 PHE 29 2HD PHE 29 -4.352 11.248 0.739 236 HD2 PHE 29 1HD PHE 29 -5.463 7.254 1.700 237 HE1 PHE 29 2HE PHE 29 -2.110 10.472 0.089 238 HE2 PHE 29 1HE PHE 29 -3.221 6.471 1.053 239 HZ PHE 29 HZ PHE 29 -1.542 8.081 0.246 240 H VAL 30 H VAL 30 -7.058 11.837 0.487 241 HA VAL 30 HA VAL 30 -5.008 13.715 0.108 242 HB VAL 30 HB VAL 30 -6.668 14.713 -1.602 243 HG11 VAL 30 1HG1 VAL 30 -4.786 13.236 -2.161 244 HG12 VAL 30 2HG1 VAL 30 -6.189 12.935 -3.185 245 HG13 VAL 30 3HG1 VAL 30 -5.811 11.833 -1.862 246 HG21 VAL 30 3HG2 VAL 30 -8.400 12.985 -0.217 247 HG22 VAL 30 1HG2 VAL 30 -8.158 12.276 -1.813 248 HG23 VAL 30 2HG2 VAL 30 -8.746 13.932 -1.664 249 H LYS 31 H LYS 31 -8.115 13.930 1.623 250 HA LYS 31 HA LYS 31 -8.238 16.765 1.723 251 HB2 LYS 31 2HB LYS 31 -9.688 15.043 3.687 252 HB3 LYS 31 1HB LYS 31 -10.227 16.510 2.883 253 HG2 LYS 31 2HG LYS 31 -10.306 15.205 0.748 254 HG3 LYS 31 1HG LYS 31 -9.996 13.754 1.703 255 HD2 LYS 31 2HD LYS 31 -12.297 13.739 1.593 256 HD3 LYS 31 1HD LYS 31 -12.030 14.599 3.111 257 HE2 LYS 31 2HE LYS 31 -13.180 16.323 2.318 258 HE3 LYS 31 1HE LYS 31 -11.980 16.521 1.042 259 HZ1 LYS 31 3HZ LYS 31 -13.217 15.038 -0.357 260 HZ2 LYS 31 1HZ LYS 31 -14.261 16.247 0.200 261 HZ3 LYS 31 2HZ LYS 31 -14.319 14.699 0.879 262 H ASP 32 H ASP 32 -6.828 14.321 3.771 263 HA ASP 32 HA ASP 32 -6.451 16.146 5.964 264 HB2 ASP 32 2HB ASP 32 -6.945 13.752 6.364 265 HB3 ASP 32 1HB ASP 32 -5.401 13.337 5.625 266 H LEU 33 H LEU 33 -4.960 15.823 3.090 267 HA LEU 33 HA LEU 33 -3.046 17.411 2.879 268 HB2 LEU 33 2HB LEU 33 -2.103 15.629 5.108 269 HB3 LEU 33 1HB LEU 33 -0.968 16.523 4.117 270 HG LEU 33 HG LEU 33 -3.163 18.119 5.279 271 HD11 LEU 33 1HD1 LEU 33 -0.968 17.657 7.170 272 HD12 LEU 33 2HD1 LEU 33 -2.083 16.304 6.977 273 HD13 LEU 33 3HD1 LEU 33 -2.692 17.887 7.460 274 HD21 LEU 33 3HD2 LEU 33 -0.175 18.490 5.098 275 HD22 LEU 33 1HD2 LEU 33 -1.341 19.706 5.619 276 HD23 LEU 33 2HD2 LEU 33 -1.366 19.114 3.958 277 H GLY 34 H GLY 34 -4.224 14.938 1.708 278 HA2 GLY 34 2HA GLY 34 -2.934 12.875 0.874 279 HA3 GLY 34 1HA GLY 34 -3.478 14.002 -0.359 280 H LEU 35 H LEU 35 -1.077 12.143 -0.008 281 HA LEU 35 HA LEU 35 1.153 13.969 -0.086 282 HB2 LEU 35 2HB LEU 35 1.457 11.127 -0.885 283 HB3 LEU 35 1HB LEU 35 2.512 12.135 0.087 284 HG LEU 35 HG LEU 35 1.773 10.814 1.760 285 HD11 LEU 35 1HD1 LEU 35 0.424 12.033 3.085 286 HD12 LEU 35 2HD1 LEU 35 -0.850 12.140 1.870 287 HD13 LEU 35 3HD1 LEU 35 0.544 13.215 1.781 288 HD21 LEU 35 3HD2 LEU 35 0.596 9.120 0.831 289 HD22 LEU 35 1HD2 LEU 35 -0.403 10.200 -0.143 290 HD23 LEU 35 2HD2 LEU 35 -0.762 9.970 1.568 291 H ASN 36 H ASN 36 2.635 14.089 -1.893 292 HA ASN 36 HA ASN 36 1.494 14.762 -4.294 293 HB2 ASN 36 2HB ASN 36 4.003 13.879 -5.055 294 HB3 ASN 36 1HB ASN 36 3.615 15.484 -4.458 295 HD21 ASN 36 1HD2 ASN 36 4.303 12.257 -3.243 296 HD22 ASN 36 2HD2 ASN 36 5.312 12.764 -1.934 297 H SER 37 H SER 37 2.308 13.605 -6.456 298 HA SER 37 HA SER 37 0.769 11.264 -6.679 299 HB2 SER 37 2HB SER 37 2.489 11.308 -8.886 300 HB3 SER 37 1HB SER 37 0.858 11.974 -8.802 301 H LEU 38 H LEU 38 4.249 11.637 -7.159 302 HA LEU 38 HA LEU 38 4.928 8.979 -7.335 303 HB2 LEU 38 2HB LEU 38 7.158 9.605 -6.954 304 HB3 LEU 38 1HB LEU 38 6.405 10.989 -7.709 305 HG LEU 38 HG LEU 38 7.751 10.798 -5.182 306 HD11 LEU 38 1HD1 LEU 38 6.633 13.226 -6.546 307 HD12 LEU 38 2HD1 LEU 38 8.099 12.410 -7.089 308 HD13 LEU 38 3HD1 LEU 38 8.031 13.121 -5.476 309 HD21 LEU 38 3HD2 LEU 38 5.846 10.765 -3.922 310 HD22 LEU 38 1HD2 LEU 38 4.882 11.564 -5.165 311 HD23 LEU 38 2HD2 LEU 38 6.009 12.501 -4.184 312 H ASP 39 H ASP 39 3.686 10.574 -4.626 313 HA ASP 39 HA ASP 39 4.948 8.958 -2.620 314 HB2 ASP 39 2HB ASP 39 3.052 11.176 -2.690 315 HB3 ASP 39 1HB ASP 39 2.650 9.975 -1.467 316 H VAL 40 H VAL 40 1.492 9.262 -2.604 317 HA VAL 40 HA VAL 40 0.782 6.853 -1.710 318 HB VAL 40 HB VAL 40 -0.698 8.839 -2.628 319 HG11 VAL 40 1HG1 VAL 40 -0.079 7.496 -5.007 320 HG12 VAL 40 2HG1 VAL 40 -1.264 8.781 -4.777 321 HG13 VAL 40 3HG1 VAL 40 -1.759 7.094 -4.651 322 HG21 VAL 40 3HG2 VAL 40 -2.175 7.641 -1.480 323 HG22 VAL 40 1HG2 VAL 40 -1.172 6.201 -1.665 324 HG23 VAL 40 2HG2 VAL 40 -2.399 6.586 -2.875 325 H VAL 41 H VAL 41 1.966 7.489 -4.936 326 HA VAL 41 HA VAL 41 1.179 5.047 -6.112 327 HB VAL 41 HB VAL 41 1.801 6.705 -7.643 328 HG11 VAL 41 1HG1 VAL 41 3.391 8.248 -7.340 329 HG12 VAL 41 2HG1 VAL 41 4.610 7.045 -6.918 330 HG13 VAL 41 3HG1 VAL 41 3.480 7.624 -5.693 331 HG21 VAL 41 3HG2 VAL 41 3.698 4.440 -7.423 332 HG22 VAL 41 1HG2 VAL 41 4.098 5.723 -8.564 333 HG23 VAL 41 2HG2 VAL 41 2.571 4.855 -8.714 334 H GLU 42 H GLU 42 4.278 6.064 -4.665 335 HA GLU 42 HA GLU 42 5.590 3.610 -5.019 336 HB2 GLU 42 2HB GLU 42 7.334 4.573 -3.935 337 HB3 GLU 42 1HB GLU 42 6.391 6.034 -4.198 338 HG2 GLU 42 2HG GLU 42 5.714 6.158 -2.005 339 HG3 GLU 42 1HG GLU 42 5.964 4.436 -1.719 340 H VAL 43 H VAL 43 3.749 4.876 -2.312 341 HA VAL 43 HA VAL 43 4.166 2.683 -0.587 342 HB VAL 43 HB VAL 43 3.453 4.542 0.576 343 HG11 VAL 43 1HG1 VAL 43 2.420 6.244 -0.404 344 HG12 VAL 43 2HG1 VAL 43 0.970 5.274 -0.644 345 HG13 VAL 43 3HG1 VAL 43 2.250 5.259 -1.856 346 HG21 VAL 43 3HG2 VAL 43 2.070 2.419 0.994 347 HG22 VAL 43 1HG2 VAL 43 0.779 3.310 0.194 348 HG23 VAL 43 2HG2 VAL 43 1.498 3.947 1.669 349 H VAL 44 H VAL 44 1.571 3.521 -2.792 350 HA VAL 44 HA VAL 44 -0.223 1.489 -2.173 351 HB VAL 44 HB VAL 44 -0.763 3.420 -3.620 352 HG11 VAL 44 1HG1 VAL 44 1.248 3.464 -4.972 353 HG12 VAL 44 2HG1 VAL 44 -0.184 3.360 -5.992 354 HG13 VAL 44 3HG1 VAL 44 0.805 1.927 -5.713 355 HG21 VAL 44 3HG2 VAL 44 -1.554 0.686 -3.998 356 HG22 VAL 44 1HG2 VAL 44 -1.668 1.571 -5.518 357 HG23 VAL 44 2HG2 VAL 44 -2.526 2.154 -4.093 358 H PHE 45 H PHE 45 2.151 1.541 -4.845 359 HA PHE 45 HA PHE 45 1.716 -1.237 -5.370 360 HB2 PHE 45 2HB PHE 45 3.314 -1.017 -7.134 361 HB3 PHE 45 1HB PHE 45 2.316 0.430 -7.137 362 HD1 PHE 45 1HD PHE 45 5.565 -0.846 -5.850 363 HD2 PHE 45 2HD PHE 45 3.304 2.501 -7.194 364 HE1 PHE 45 1HE PHE 45 7.594 0.545 -5.781 365 HE2 PHE 45 2HE PHE 45 5.330 3.897 -7.131 366 HZ PHE 45 HZ PHE 45 7.477 2.920 -6.423 367 H ALA 46 H ALA 46 3.383 0.367 -3.013 368 HA ALA 46 HA ALA 46 5.664 -1.354 -2.838 369 HB1 ALA 46 1HB ALA 46 4.525 0.736 -1.012 370 HB2 ALA 46 2HB ALA 46 5.996 0.818 -1.981 371 HB3 ALA 46 3HB ALA 46 5.925 -0.243 -0.574 372 H ILE 47 H ILE 47 2.843 -0.809 -0.792 373 HA ILE 47 HA ILE 47 3.153 -2.983 0.908 374 HB ILE 47 HB ILE 47 0.551 -2.878 1.025 375 HG12 ILE 47 2HG1 ILE 47 1.222 -0.785 -0.956 376 HG13 ILE 47 1HG1 ILE 47 -0.267 -1.692 -0.738 377 HG21 ILE 47 1HG2 ILE 47 2.529 -0.820 1.893 378 HG22 ILE 47 2HG2 ILE 47 1.664 -2.022 2.850 379 HG23 ILE 47 3HG2 ILE 47 0.818 -0.594 2.252 380 HD11 ILE 47 3HD1 ILE 47 -1.179 0.096 0.164 381 HD12 ILE 47 1HD1 ILE 47 0.356 0.955 0.071 382 HD13 ILE 47 2HD1 ILE 47 -0.026 -0.010 1.494 383 H GLU 48 H GLU 48 1.550 -2.764 -2.245 384 HA GLU 48 HA GLU 48 0.407 -5.299 -2.327 385 HB2 GLU 48 2HB GLU 48 1.613 -4.406 -4.856 386 HB3 GLU 48 1HB GLU 48 -0.053 -4.831 -4.495 387 HG2 GLU 48 2HG GLU 48 -0.263 -2.610 -3.348 388 HG3 GLU 48 1HG GLU 48 1.321 -2.207 -4.008 389 H GLN 49 H GLN 49 3.657 -4.229 -3.081 390 HA GLN 49 HA GLN 49 4.710 -6.557 -4.160 391 HB2 GLN 49 2HB GLN 49 5.717 -4.086 -3.201 392 HB3 GLN 49 1HB GLN 49 6.650 -5.355 -2.418 393 HG2 GLN 49 2HG GLN 49 7.791 -5.766 -4.270 394 HG3 GLN 49 1HG GLN 49 6.315 -5.910 -5.224 395 HE21 GLN 49 1HE2 GLN 49 5.598 -4.183 -6.406 396 HE22 GLN 49 2HE2 GLN 49 6.521 -2.741 -6.633 397 H GLU 50 H GLU 50 4.382 -5.581 -0.771 398 HA GLU 50 HA GLU 50 5.095 -8.299 0.009 399 HB2 GLU 50 2HB GLU 50 6.044 -7.517 1.941 400 HB3 GLU 50 1HB GLU 50 6.322 -6.135 0.891 401 HG2 GLU 50 2HG GLU 50 3.760 -5.862 2.101 402 HG3 GLU 50 1HG GLU 50 4.951 -6.221 3.352 403 H PHE 51 H PHE 51 2.496 -7.621 -0.961 404 HA PHE 51 HA PHE 51 0.935 -8.326 1.383 405 HB2 PHE 51 2HB PHE 51 0.569 -5.964 -0.348 406 HB3 PHE 51 1HB PHE 51 -0.897 -6.854 0.045 407 HD1 PHE 51 1HD PHE 51 2.127 -5.447 1.712 408 HD2 PHE 51 2HD PHE 51 -2.034 -6.304 1.961 409 HE1 PHE 51 1HE PHE 51 2.028 -4.314 3.894 410 HE2 PHE 51 2HE PHE 51 -2.141 -5.173 4.142 411 HZ PHE 51 HZ PHE 51 -0.109 -4.176 5.112 412 H ILE 52 H ILE 52 1.818 -9.049 -1.734 413 HA ILE 52 HA ILE 52 1.118 -10.560 -3.273 414 HB ILE 52 HB ILE 52 0.121 -12.511 -2.535 415 HG12 ILE 52 2HG1 ILE 52 -1.727 -10.738 -1.310 416 HG13 ILE 52 1HG1 ILE 52 -1.877 -12.471 -1.547 417 HG21 ILE 52 1HG2 ILE 52 1.288 -13.090 -0.640 418 HG22 ILE 52 2HG2 ILE 52 0.940 -11.563 0.171 419 HG23 ILE 52 3HG2 ILE 52 2.137 -11.621 -1.123 420 HD11 ILE 52 3HD1 ILE 52 -2.206 -12.102 0.744 421 HD12 ILE 52 1HD1 ILE 52 -0.825 -11.012 0.848 422 HD13 ILE 52 2HD1 ILE 52 -0.568 -12.740 0.600 423 H LEU 53 H LEU 53 -0.235 -8.011 -3.114 424 HA LEU 53 HA LEU 53 -2.356 -8.507 -4.903 425 HB2 LEU 53 2HB LEU 53 -3.422 -9.153 -2.720 426 HB3 LEU 53 1HB LEU 53 -3.233 -7.488 -2.205 427 HG LEU 53 HG LEU 53 -4.896 -6.717 -3.594 428 HD11 LEU 53 1HD1 LEU 53 -4.418 -7.222 -5.745 429 HD12 LEU 53 2HD1 LEU 53 -5.690 -8.418 -5.498 430 HD13 LEU 53 3HD1 LEU 53 -3.997 -8.895 -5.375 431 HD21 LEU 53 3HD2 LEU 53 -5.848 -9.553 -3.309 432 HD22 LEU 53 1HD2 LEU 53 -6.797 -8.067 -3.275 433 HD23 LEU 53 2HD2 LEU 53 -5.718 -8.455 -1.935 434 H ASP 54 H ASP 54 -2.726 -6.725 -6.106 435 HA ASP 54 HA ASP 54 -1.396 -4.279 -5.290 436 HB2 ASP 54 2HB ASP 54 -2.398 -5.115 -8.011 437 HB3 ASP 54 1HB ASP 54 -1.503 -3.639 -7.660 438 H ILE 55 H ILE 55 -2.404 -2.231 -5.557 439 HA ILE 55 HA ILE 55 -5.302 -2.250 -5.860 440 HB ILE 55 HB ILE 55 -4.264 -0.487 -3.727 441 HG12 ILE 55 2HG1 ILE 55 -4.695 -3.439 -3.228 442 HG13 ILE 55 1HG1 ILE 55 -3.110 -2.678 -3.338 443 HG21 ILE 55 1HG2 ILE 55 -6.556 -0.315 -4.071 444 HG22 ILE 55 2HG2 ILE 55 -6.439 -1.392 -2.679 445 HG23 ILE 55 3HG2 ILE 55 -6.754 -2.055 -4.284 446 HD11 ILE 55 3HD1 ILE 55 -4.936 -1.412 -1.433 447 HD12 ILE 55 1HD1 ILE 55 -3.236 -1.850 -1.266 448 HD13 ILE 55 2HD1 ILE 55 -4.488 -3.072 -1.042 449 HA PRO 56 HA PRO 56 -2.903 1.551 -7.517 450 HB2 PRO 56 2HB PRO 56 -2.056 0.761 -9.945 451 HB3 PRO 56 1HB PRO 56 -1.094 0.488 -8.487 452 HG2 PRO 56 2HG PRO 56 -2.871 -1.414 -9.966 453 HG3 PRO 56 1HG PRO 56 -1.256 -1.691 -9.289 454 HD2 PRO 56 2HD PRO 56 -3.561 -2.457 -8.042 455 HD3 PRO 56 1HD PRO 56 -2.069 -2.044 -7.174 456 H ASP 57 H ASP 57 -3.174 2.135 -10.219 457 HA ASP 57 HA ASP 57 -4.717 3.082 -11.607 458 HB2 ASP 57 2HB ASP 57 -5.734 0.274 -11.238 459 HB3 ASP 57 1HB ASP 57 -6.558 1.409 -12.303 460 H HIS 58 H HIS 58 -7.451 2.843 -11.870 461 HA HIS 58 HA HIS 58 -8.489 4.704 -10.185 462 HB2 HIS 58 2HB HIS 58 -9.785 2.444 -11.676 463 HB3 HIS 58 1HB HIS 58 -10.753 3.501 -10.656 464 HD1 HIS 58 1HD HIS 58 -12.012 4.757 -12.433 465 HD2 HIS 58 2HD HIS 58 -7.903 4.787 -13.053 466 HE1 HIS 58 1HE HIS 58 -11.629 6.375 -14.319 467 HE2 HIS 58 2HE HIS 58 -9.128 6.443 -14.617 468 H ASP 59 H ASP 59 -7.738 1.458 -9.408 469 HA ASP 59 HA ASP 59 -9.542 0.954 -7.325 470 HB2 ASP 59 2HB ASP 59 -6.685 -0.005 -7.329 471 HB3 ASP 59 1HB ASP 59 -8.107 -0.817 -6.683 472 H ALA 60 H ALA 60 -6.338 2.479 -7.290 473 HA ALA 60 HA ALA 60 -6.529 3.027 -4.463 474 HB1 ALA 60 1HB ALA 60 -4.422 3.637 -6.517 475 HB2 ALA 60 2HB ALA 60 -4.361 2.442 -5.220 476 HB3 ALA 60 3HB ALA 60 -4.315 4.162 -4.837 477 H GLU 61 H GLU 61 -7.194 4.611 -7.439 478 HA GLU 61 HA GLU 61 -7.072 7.285 -6.446 479 HB2 GLU 61 2HB GLU 61 -8.601 6.359 -8.870 480 HB3 GLU 61 1HB GLU 61 -7.927 7.953 -8.563 481 HG2 GLU 61 2HG GLU 61 -5.850 5.983 -8.470 482 HG3 GLU 61 1HG GLU 61 -6.763 5.831 -9.971 483 H LYS 62 H LYS 62 -9.502 4.799 -6.614 484 HA LYS 62 HA LYS 62 -11.738 6.499 -6.154 485 HB2 LYS 62 2HB LYS 62 -11.307 3.529 -5.980 486 HB3 LYS 62 1HB LYS 62 -12.827 4.259 -5.486 487 HG2 LYS 62 2HG LYS 62 -11.653 4.753 -8.198 488 HG3 LYS 62 1HG LYS 62 -12.663 3.346 -7.858 489 HD2 LYS 62 2HD LYS 62 -14.540 4.566 -7.864 490 HD3 LYS 62 1HD LYS 62 -13.814 5.838 -6.880 491 HE2 LYS 62 2HE LYS 62 -12.725 5.785 -9.566 492 HE3 LYS 62 1HE LYS 62 -14.476 5.993 -9.569 493 HZ1 LYS 62 3HZ LYS 62 -13.931 8.138 -9.285 494 HZ2 LYS 62 1HZ LYS 62 -12.399 7.796 -8.653 495 HZ3 LYS 62 2HZ LYS 62 -13.764 7.707 -7.659 496 H ILE 63 H ILE 63 -9.226 6.098 -4.239 497 HA ILE 63 HA ILE 63 -10.765 5.859 -1.764 498 HB ILE 63 HB ILE 63 -8.453 4.577 -2.444 499 HG12 ILE 63 2HG1 ILE 63 -8.567 4.997 0.421 500 HG13 ILE 63 1HG1 ILE 63 -10.180 4.767 -0.246 501 HG21 ILE 63 1HG2 ILE 63 -7.183 6.668 -2.358 502 HG22 ILE 63 2HG2 ILE 63 -6.650 5.534 -1.116 503 HG23 ILE 63 3HG2 ILE 63 -7.680 6.899 -0.681 504 HD11 ILE 63 3HD1 ILE 63 -9.292 2.654 0.450 505 HD12 ILE 63 1HD1 ILE 63 -7.835 2.903 -0.511 506 HD13 ILE 63 2HD1 ILE 63 -9.392 2.682 -1.310 507 H GLN 64 H GLN 64 -11.195 7.662 -0.676 508 HA GLN 64 HA GLN 64 -9.465 9.974 -1.069 509 HB2 GLN 64 2HB GLN 64 -12.444 9.810 -0.726 510 HB3 GLN 64 1HB GLN 64 -11.564 11.303 -0.429 511 HG2 GLN 64 2HG GLN 64 -12.638 10.621 -2.800 512 HG3 GLN 64 1HG GLN 64 -11.270 11.717 -2.609 513 HE21 GLN 64 1HE2 GLN 64 -12.095 8.318 -3.097 514 HE22 GLN 64 2HE2 GLN 64 -10.695 7.928 -4.030 515 H SER 65 H SER 65 -10.546 7.701 1.116 516 HA SER 65 HA SER 65 -9.695 9.384 3.377 517 HB2 SER 65 2HB SER 65 -11.391 8.495 4.783 518 HB3 SER 65 1HB SER 65 -12.206 8.921 3.279 519 HG SER 65 HG SER 65 -12.696 6.901 3.014 520 H ILE 66 H ILE 66 -8.473 8.372 4.974 521 HA ILE 66 HA ILE 66 -6.836 6.244 4.125 522 HB ILE 66 HB ILE 66 -6.519 6.309 6.871 523 HG12 ILE 66 2HG1 ILE 66 -7.238 9.073 5.863 524 HG13 ILE 66 1HG1 ILE 66 -8.080 8.158 7.110 525 HG21 ILE 66 1HG2 ILE 66 -4.724 6.315 5.269 526 HG22 ILE 66 2HG2 ILE 66 -4.533 7.692 6.353 527 HG23 ILE 66 3HG2 ILE 66 -5.164 7.933 4.724 528 HD11 ILE 66 3HD1 ILE 66 -6.816 9.659 8.320 529 HD12 ILE 66 1HD1 ILE 66 -5.431 9.523 7.236 530 HD13 ILE 66 2HD1 ILE 66 -5.817 8.205 8.343 531 HA PRO 67 HA PRO 67 -9.766 3.885 7.385 532 HB2 PRO 67 2HB PRO 67 -12.240 4.804 6.013 533 HB3 PRO 67 1HB PRO 67 -11.952 4.494 7.729 534 HG2 PRO 67 2HG PRO 67 -12.111 6.987 6.803 535 HG3 PRO 67 1HG PRO 67 -10.944 6.555 8.067 536 HD2 PRO 67 2HD PRO 67 -10.493 7.038 5.154 537 HD3 PRO 67 1HD PRO 67 -9.468 7.459 6.540 538 H ASP 68 H ASP 68 -11.627 4.353 4.392 539 HA ASP 68 HA ASP 68 -11.974 1.666 3.823 540 HB2 ASP 68 2HB ASP 68 -12.589 4.128 2.576 541 HB3 ASP 68 1HB ASP 68 -11.787 3.135 1.362 542 H ALA 69 H ALA 69 -9.168 3.581 3.487 543 HA ALA 69 HA ALA 69 -7.879 2.219 1.385 544 HB1 ALA 69 1HB ALA 69 -6.553 3.974 1.673 545 HB2 ALA 69 2HB ALA 69 -5.883 3.161 3.088 546 HB3 ALA 69 3HB ALA 69 -7.229 4.286 3.273 547 H VAL 70 H VAL 70 -6.476 2.200 4.583 548 HA VAL 70 HA VAL 70 -5.386 -0.381 4.290 549 HB VAL 70 HB VAL 70 -4.313 1.209 5.750 550 HG11 VAL 70 1HG1 VAL 70 -6.569 2.230 6.445 551 HG12 VAL 70 2HG1 VAL 70 -5.272 2.182 7.640 552 HG13 VAL 70 3HG1 VAL 70 -6.575 0.997 7.706 553 HG21 VAL 70 3HG2 VAL 70 -5.269 -0.738 7.763 554 HG22 VAL 70 1HG2 VAL 70 -3.626 -0.298 7.301 555 HG23 VAL 70 2HG2 VAL 70 -4.562 -1.394 6.286 556 H GLU 71 H GLU 71 -8.480 0.685 5.238 557 HA GLU 71 HA GLU 71 -9.235 -1.364 7.008 558 HB2 GLU 71 2HB GLU 71 -10.767 0.475 5.193 559 HB3 GLU 71 1HB GLU 71 -11.594 -0.785 6.099 560 HG2 GLU 71 2HG GLU 71 -9.843 1.304 7.367 561 HG3 GLU 71 1HG GLU 71 -11.588 1.468 7.172 562 H TYR 72 H TYR 72 -9.643 -1.052 3.487 563 HA TYR 72 HA TYR 72 -10.834 -3.598 3.168 564 HB2 TYR 72 2HB TYR 72 -11.277 -2.730 1.158 565 HB3 TYR 72 1HB TYR 72 -10.228 -1.363 1.516 566 HD1 TYR 72 1HD TYR 72 -7.657 -1.823 1.172 567 HD2 TYR 72 2HD TYR 72 -10.771 -4.072 -0.654 568 HE1 TYR 72 1HE TYR 72 -6.094 -2.558 -0.575 569 HE2 TYR 72 2HE TYR 72 -9.216 -4.815 -2.407 570 HH TYR 72 HH TYR 72 -5.819 -4.293 -2.192 571 H ILE 73 H ILE 73 -7.562 -2.381 2.959 572 HA ILE 73 HA ILE 73 -6.310 -4.638 1.894 573 HB ILE 73 HB ILE 73 -5.333 -2.434 3.637 574 HG12 ILE 73 2HG1 ILE 73 -4.224 -3.146 0.963 575 HG13 ILE 73 1HG1 ILE 73 -5.812 -2.390 1.042 576 HG21 ILE 73 1HG2 ILE 73 -3.514 -4.542 2.527 577 HG22 ILE 73 2HG2 ILE 73 -4.171 -4.633 4.161 578 HG23 ILE 73 3HG2 ILE 73 -3.142 -3.278 3.699 579 HD11 ILE 73 3HD1 ILE 73 -3.222 -1.269 2.074 580 HD12 ILE 73 1HD1 ILE 73 -4.804 -0.531 2.327 581 HD13 ILE 73 2HD1 ILE 73 -4.161 -0.701 0.694 582 H ALA 74 H ALA 74 -7.019 -3.756 5.214 583 HA ALA 74 HA ALA 74 -5.698 -5.906 6.447 584 HB1 ALA 74 1HB ALA 74 -7.179 -3.686 7.287 585 HB2 ALA 74 2HB ALA 74 -6.284 -4.823 8.295 586 HB3 ALA 74 3HB ALA 74 -7.994 -5.097 7.962 587 H GLN 75 H GLN 75 -9.069 -5.480 5.511 588 HA GLN 75 HA GLN 75 -9.796 -8.123 6.310 589 HB2 GLN 75 2HB GLN 75 -11.724 -7.016 4.530 590 HB3 GLN 75 1HB GLN 75 -11.847 -7.253 6.268 591 HG2 GLN 75 2HG GLN 75 -10.497 -5.054 6.421 592 HG3 GLN 75 1HG GLN 75 -11.008 -4.823 4.749 593 HE21 GLN 75 1HE2 GLN 75 -11.750 -3.037 6.665 594 HE22 GLN 75 2HE2 GLN 75 -13.445 -3.167 6.970 595 H ASN 76 H ASN 76 -10.619 -6.797 3.175 596 HA ASN 76 HA ASN 76 -10.818 -8.870 1.606 597 HB2 ASN 76 2HB ASN 76 -9.478 -6.275 1.148 598 HB3 ASN 76 1HB ASN 76 -9.119 -7.530 -0.035 599 HD21 ASN 76 1HD2 ASN 76 -11.158 -5.065 0.730 600 HD22 ASN 76 2HD2 ASN 76 -12.515 -5.501 -0.248 601 HA PRO 77 HA PRO 77 -6.086 -9.815 0.913 602 HB2 PRO 77 2HB PRO 77 -4.948 -8.144 3.103 603 HB3 PRO 77 1HB PRO 77 -4.299 -8.487 1.494 604 HG2 PRO 77 2HG PRO 77 -5.384 -6.123 2.010 605 HG3 PRO 77 1HG PRO 77 -5.688 -6.931 0.461 606 HD2 PRO 77 2HD PRO 77 -7.472 -6.698 2.855 607 HD3 PRO 77 1HD PRO 77 -7.876 -6.602 1.129 608 H MET 78 H MET 78 -7.195 -9.125 4.236 609 HA MET 78 HA MET 78 -5.746 -11.254 5.424 610 HB2 MET 78 2HB MET 78 -6.442 -9.535 6.883 611 HB3 MET 78 1HB MET 78 -8.103 -9.611 6.312 612 HG2 MET 78 2HG MET 78 -8.130 -11.975 7.288 613 HG3 MET 78 1HG MET 78 -6.659 -11.496 8.133 614 HE1 MET 78 3HE MET 78 -9.269 -12.284 10.154 615 HE2 MET 78 1HE MET 78 -8.572 -11.073 11.231 616 HE3 MET 78 2HE MET 78 -7.520 -12.071 10.226 617 H ALA 79 H ALA 79 -8.606 -11.136 3.567 618 HA ALA 79 HA ALA 79 -9.690 -13.594 4.587 619 HB1 ALA 79 1HB ALA 79 -10.922 -11.494 3.547 620 HB2 ALA 79 2HB ALA 79 -11.584 -13.123 3.419 621 HB3 ALA 79 3HB ALA 79 -10.701 -12.421 2.063 622 H LYS 80 H LYS 80 -7.708 -12.518 1.964 623 HA LYS 80 HA LYS 80 -7.862 -14.291 -0.017 624 HB2 LYS 80 2HB LYS 80 -5.259 -13.634 1.375 625 HB3 LYS 80 1HB LYS 80 -5.429 -14.207 -0.278 626 HG2 LYS 80 2HG LYS 80 -6.839 -12.124 -0.679 627 HG3 LYS 80 1HG LYS 80 -6.211 -11.549 0.867 628 HD2 LYS 80 2HD LYS 80 -3.914 -11.849 0.004 629 HD3 LYS 80 1HD LYS 80 -4.587 -12.325 -1.556 630 HE2 LYS 80 2HE LYS 80 -4.704 -10.191 -2.148 631 HE3 LYS 80 1HE LYS 80 -5.813 -9.887 -0.812 632 HZ1 LYS 80 3HZ LYS 80 -3.618 -9.795 0.552 633 HZ2 LYS 80 1HZ LYS 80 -4.116 -8.446 -0.341 634 HZ3 LYS 80 2HZ LYS 80 -2.910 -9.465 -0.947 635 H282 PNS 101 8H2 PNS 101 3.535 14.860 -8.193 636 H281 PNS 101 9H2 PNS 101 4.267 16.297 -8.910 637 H303 PNS 101 0H3 PNS 101 7.335 14.815 -7.958 638 H302 PNS 101 1H3 PNS 101 5.916 14.790 -6.910 639 H301 PNS 101 2H3 PNS 101 6.262 16.213 -7.893 640 H313 PNS 101 3H3 PNS 101 5.378 12.857 -7.708 641 H312 PNS 101 4H3 PNS 101 6.079 12.539 -9.294 642 H311 PNS 101 5H3 PNS 101 4.339 12.774 -9.131 643 H32 PNS 101 6H3 PNS 101 5.344 14.786 -10.956 644 H33 PNS 101 7H3 PNS 101 7.477 16.144 -10.949 645 H36 PNS 101 8H3 PNS 101 8.728 14.183 -10.165 646 H372 PNS 101 9H3 PNS 101 8.341 14.211 -13.063 647 H371 PNS 101 0H4 PNS 101 9.534 13.105 -12.384 648 H382 PNS 101 1H4 PNS 101 10.190 15.487 -11.201 649 H381 PNS 101 2H4 PNS 101 10.983 14.785 -12.611 650 H41 PNS 101 3H4 PNS 101 7.848 17.011 -12.428 651 H422 PNS 101 4H4 PNS 101 9.724 18.969 -11.990 652 H421 PNS 101 5H4 PNS 101 8.447 18.538 -10.853 653 H431 PNS 101 7H4 PNS 101 10.558 18.390 -9.717 654 H432 PNS 101 6H4 PNS 101 9.945 16.747 -9.961 655 H44 PNS 101 8H4 PNS 101 12.046 16.266 -11.127 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -6.243 -7.124 8.688 2 H2 MET 1 2HT MET 1 -6.844 -8.731 8.657 3 H3 MET 1 3HT MET 1 -5.241 -8.403 8.140 4 HA MET 1 HA MET 1 -6.366 -8.499 10.823 5 HB2 MET 1 2HB MET 1 -4.426 -9.855 11.224 6 HB3 MET 1 1HB MET 1 -5.159 -10.401 9.723 7 HG2 MET 1 2HG MET 1 -3.487 -9.346 8.419 8 HG3 MET 1 1HG MET 1 -2.852 -8.481 9.817 9 HE1 MET 1 2HE MET 1 -2.275 -11.293 12.108 10 HE2 MET 1 3HE MET 1 -2.190 -9.551 11.846 11 HE3 MET 1 1HE MET 1 -0.736 -10.538 11.695 12 H ASN 2 H ASN 2 -4.184 -8.122 12.321 13 HA ASN 2 HA ASN 2 -3.914 -5.294 12.362 14 HB2 ASN 2 2HB ASN 2 -2.028 -6.158 14.127 15 HB3 ASN 2 1HB ASN 2 -3.731 -5.937 14.516 16 HD21 ASN 2 1HD2 ASN 2 -1.175 -8.169 14.080 17 HD22 ASN 2 2HD2 ASN 2 -2.054 -9.601 14.482 18 H ASP 3 H ASP 3 -1.958 -7.927 11.236 19 HA ASP 3 HA ASP 3 0.523 -6.689 11.068 20 HB2 ASP 3 2HB ASP 3 1.162 -8.643 10.181 21 HB3 ASP 3 1HB ASP 3 -0.509 -9.158 10.393 22 H VAL 4 H VAL 4 -2.188 -6.557 8.843 23 HA VAL 4 HA VAL 4 -0.749 -5.330 6.727 24 HB VAL 4 HB VAL 4 -2.991 -4.750 5.807 25 HG11 VAL 4 1HG1 VAL 4 -2.233 -6.773 5.013 26 HG12 VAL 4 2HG1 VAL 4 -3.754 -7.249 5.770 27 HG13 VAL 4 3HG1 VAL 4 -2.227 -7.521 6.610 28 HG21 VAL 4 3HG2 VAL 4 -4.949 -5.796 6.984 29 HG22 VAL 4 1HG2 VAL 4 -4.265 -4.376 7.776 30 HG23 VAL 4 2HG2 VAL 4 -3.905 -5.989 8.390 31 H LEU 5 H LEU 5 -3.122 -3.934 9.018 32 HA LEU 5 HA LEU 5 -2.654 -1.289 8.156 33 HB2 LEU 5 2HB LEU 5 -3.949 -0.587 10.102 34 HB3 LEU 5 1HB LEU 5 -4.744 -1.860 9.207 35 HG LEU 5 HG LEU 5 -4.934 -2.068 11.674 36 HD11 LEU 5 1HD1 LEU 5 -4.720 -3.974 9.822 37 HD12 LEU 5 2HD1 LEU 5 -5.014 -4.309 11.528 38 HD13 LEU 5 3HD1 LEU 5 -3.381 -4.439 10.871 39 HD21 LEU 5 3HD2 LEU 5 -3.180 -2.183 13.068 40 HD22 LEU 5 1HD2 LEU 5 -2.313 -1.383 11.760 41 HD23 LEU 5 2HD2 LEU 5 -2.213 -3.134 11.943 42 H THR 6 H THR 6 -1.228 -3.260 10.646 43 HA THR 6 HA THR 6 0.068 -1.242 12.091 44 HB THR 6 HB THR 6 -0.101 -3.421 13.049 45 HG1 THR 6 1HG THR 6 2.488 -2.523 12.463 46 HG21 THR 6 3HG2 THR 6 1.869 -4.695 11.271 47 HG22 THR 6 1HG2 THR 6 0.242 -4.479 10.625 48 HG23 THR 6 2HG2 THR 6 0.484 -5.381 12.122 49 H ARG 7 H ARG 7 1.367 -3.337 9.550 50 HA ARG 7 HA ARG 7 3.807 -1.873 9.384 51 HB2 ARG 7 2HB ARG 7 4.546 -3.679 8.291 52 HB3 ARG 7 1HB ARG 7 2.981 -4.407 8.629 53 HG2 ARG 7 2HG ARG 7 3.466 -4.650 6.298 54 HG3 ARG 7 1HG ARG 7 2.144 -3.496 6.485 55 HD2 ARG 7 2HD ARG 7 3.329 -1.834 5.575 56 HD3 ARG 7 1HD ARG 7 4.765 -2.232 6.517 57 HE ARG 7 HE ARG 7 4.284 -2.904 3.810 58 HH11 ARG 7 1HH1 ARG 7 5.687 -4.156 6.740 59 HH12 ARG 7 2HH1 ARG 7 6.815 -5.180 5.917 60 HH21 ARG 7 1HH2 ARG 7 5.765 -4.249 2.715 61 HH22 ARG 7 2HH2 ARG 7 6.859 -5.233 3.627 62 H VAL 8 H VAL 8 0.973 -2.271 7.298 63 HA VAL 8 HA VAL 8 1.808 -0.608 5.227 64 HB VAL 8 HB VAL 8 -0.341 -2.176 5.550 65 HG11 VAL 8 1HG1 VAL 8 -1.454 -0.664 7.099 66 HG12 VAL 8 2HG1 VAL 8 -2.370 -0.803 5.599 67 HG13 VAL 8 3HG1 VAL 8 -1.389 0.630 5.903 68 HG21 VAL 8 3HG2 VAL 8 -1.296 -0.728 3.544 69 HG22 VAL 8 1HG2 VAL 8 0.149 -1.724 3.373 70 HG23 VAL 8 2HG2 VAL 8 0.301 0.011 3.649 71 H LEU 9 H LEU 9 -0.237 0.135 8.039 72 HA LEU 9 HA LEU 9 -0.657 2.842 7.476 73 HB2 LEU 9 2HB LEU 9 -1.511 3.033 9.623 74 HB3 LEU 9 1HB LEU 9 -1.727 1.330 9.277 75 HG LEU 9 HG LEU 9 0.502 0.981 10.506 76 HD11 LEU 9 1HD1 LEU 9 0.348 3.800 10.607 77 HD12 LEU 9 2HD1 LEU 9 1.572 2.744 11.312 78 HD13 LEU 9 3HD1 LEU 9 0.152 3.199 12.254 79 HD21 LEU 9 3HD2 LEU 9 -0.693 1.210 12.751 80 HD22 LEU 9 1HD2 LEU 9 -1.442 0.177 11.534 81 HD23 LEU 9 2HD2 LEU 9 -2.069 1.801 11.820 82 H GLU 10 H GLU 10 1.933 1.230 9.259 83 HA GLU 10 HA GLU 10 3.239 3.562 10.134 84 HB2 GLU 10 2HB GLU 10 5.187 2.080 10.508 85 HB3 GLU 10 1HB GLU 10 3.696 1.433 11.180 86 HG2 GLU 10 2HG GLU 10 3.500 -0.171 9.469 87 HG3 GLU 10 1HG GLU 10 4.729 0.622 8.483 88 H VAL 11 H VAL 11 3.422 1.725 7.169 89 HA VAL 11 HA VAL 11 5.784 2.805 6.133 90 HB VAL 11 HB VAL 11 3.723 2.311 4.146 91 HG11 VAL 11 1HG1 VAL 11 5.442 1.263 2.995 92 HG12 VAL 11 2HG1 VAL 11 6.310 0.855 4.476 93 HG13 VAL 11 3HG1 VAL 11 6.273 2.525 3.906 94 HG21 VAL 11 3HG2 VAL 11 2.971 0.755 5.878 95 HG22 VAL 11 1HG2 VAL 11 4.594 0.074 5.962 96 HG23 VAL 11 2HG2 VAL 11 3.640 -0.100 4.490 97 H VAL 12 H VAL 12 2.470 3.923 5.936 98 HA VAL 12 HA VAL 12 3.005 6.076 4.159 99 HB VAL 12 HB VAL 12 0.781 6.952 4.931 100 HG11 VAL 12 1HG1 VAL 12 1.234 5.194 3.091 101 HG12 VAL 12 2HG1 VAL 12 -0.419 5.423 3.662 102 HG13 VAL 12 3HG1 VAL 12 0.530 4.051 4.234 103 HG21 VAL 12 3HG2 VAL 12 -0.562 5.697 6.438 104 HG22 VAL 12 1HG2 VAL 12 0.993 5.950 7.231 105 HG23 VAL 12 2HG2 VAL 12 0.618 4.388 6.503 106 H LYS 13 H LYS 13 2.679 5.860 7.680 107 HA LYS 13 HA LYS 13 2.967 8.623 8.176 108 HB2 LYS 13 2HB LYS 13 3.676 6.408 10.091 109 HB3 LYS 13 1HB LYS 13 3.154 8.041 10.480 110 HG2 LYS 13 2HG LYS 13 0.937 7.600 9.776 111 HG3 LYS 13 1HG LYS 13 1.410 6.065 9.032 112 HD2 LYS 13 2HD LYS 13 1.611 4.992 11.067 113 HD3 LYS 13 1HD LYS 13 1.879 6.496 11.952 114 HE2 LYS 13 2HE LYS 13 -0.537 7.071 11.314 115 HE3 LYS 13 1HE LYS 13 -0.696 5.364 10.907 116 HZ1 LYS 13 3HZ LYS 13 -1.424 5.719 13.147 117 HZ2 LYS 13 1HZ LYS 13 0.024 6.491 13.558 118 HZ3 LYS 13 2HZ LYS 13 0.020 4.840 13.191 119 H ASN 14 H ASN 14 5.311 6.017 7.864 120 HA ASN 14 HA ASN 14 7.454 7.825 8.608 121 HB2 ASN 14 2HB ASN 14 7.658 4.881 7.991 122 HB3 ASN 14 1HB ASN 14 8.873 5.889 8.771 123 HD21 ASN 14 1HD2 ASN 14 6.599 3.627 9.323 124 HD22 ASN 14 2HD2 ASN 14 6.229 3.966 10.976 125 H PHE 15 H PHE 15 5.847 6.994 5.872 126 HA PHE 15 HA PHE 15 8.109 6.853 4.105 127 HB2 PHE 15 2HB PHE 15 6.529 5.638 3.042 128 HB3 PHE 15 1HB PHE 15 5.215 6.437 3.899 129 HD1 PHE 15 2HD PHE 15 5.023 9.044 3.178 130 HD2 PHE 15 1HD PHE 15 6.483 5.857 0.769 131 HE1 PHE 15 2HE PHE 15 4.460 10.324 1.151 132 HE2 PHE 15 1HE PHE 15 5.927 7.129 -1.262 133 HZ PHE 15 HZ PHE 15 4.914 9.366 -1.072 134 H GLU 16 H GLU 16 6.204 9.248 5.541 135 HA GLU 16 HA GLU 16 6.965 11.526 5.450 136 HB2 GLU 16 2HB GLU 16 7.893 12.473 3.551 137 HB3 GLU 16 1HB GLU 16 8.445 10.813 3.425 138 HG2 GLU 16 2HG GLU 16 6.012 10.838 2.114 139 HG3 GLU 16 1HG GLU 16 6.780 12.351 1.656 140 H LYS 17 H LYS 17 4.459 9.756 4.661 141 HA LYS 17 HA LYS 17 2.807 11.392 3.083 142 HB2 LYS 17 2HB LYS 17 1.809 9.550 5.238 143 HB3 LYS 17 1HB LYS 17 1.007 9.998 3.748 144 HG2 LYS 17 2HG LYS 17 3.579 8.461 3.773 145 HG3 LYS 17 1HG LYS 17 2.003 7.672 3.884 146 HD2 LYS 17 2HD LYS 17 2.533 9.667 1.743 147 HD3 LYS 17 1HD LYS 17 3.113 8.009 1.556 148 HE2 LYS 17 2HE LYS 17 0.276 8.531 2.338 149 HE3 LYS 17 1HE LYS 17 0.759 8.686 0.648 150 HZ1 LYS 17 3HZ LYS 17 0.276 6.334 2.169 151 HZ2 LYS 17 1HZ LYS 17 1.830 6.302 1.500 152 HZ3 LYS 17 2HZ LYS 17 0.482 6.503 0.499 153 H VAL 18 H VAL 18 3.064 11.072 6.621 154 HA VAL 18 HA VAL 18 2.734 13.764 7.192 155 HB VAL 18 HB VAL 18 0.246 13.166 8.218 156 HG11 VAL 18 1HG1 VAL 18 1.429 15.050 6.529 157 HG12 VAL 18 2HG1 VAL 18 -0.163 15.140 7.282 158 HG13 VAL 18 3HG1 VAL 18 0.009 14.466 5.661 159 HG21 VAL 18 3HG2 VAL 18 -0.959 11.842 6.869 160 HG22 VAL 18 1HG2 VAL 18 0.603 11.243 6.309 161 HG23 VAL 18 2HG2 VAL 18 -0.231 12.510 5.409 162 H ASP 19 H ASP 19 2.672 14.208 9.432 163 HA ASP 19 HA ASP 19 3.782 12.193 11.067 164 HB2 ASP 19 2HB ASP 19 2.901 15.009 11.451 165 HB3 ASP 19 1HB ASP 19 3.082 14.015 12.894 166 H ALA 20 H ALA 20 2.904 10.923 12.652 167 HA ALA 20 HA ALA 20 0.249 10.104 12.422 168 HB1 ALA 20 1HB ALA 20 0.982 9.380 14.990 169 HB2 ALA 20 2HB ALA 20 2.513 9.479 14.120 170 HB3 ALA 20 3HB ALA 20 1.225 8.432 13.524 171 H SER 21 H SER 21 1.634 12.706 14.199 172 HA SER 21 HA SER 21 -0.377 13.030 16.153 173 HB2 SER 21 2HB SER 21 0.601 15.558 15.809 174 HB3 SER 21 1HB SER 21 1.356 14.325 16.817 175 HG SER 21 HG SER 21 2.745 13.833 15.156 176 H LYS 22 H LYS 22 -0.283 13.703 12.804 177 HA LYS 22 HA LYS 22 -2.571 15.506 12.994 178 HB2 LYS 22 2HB LYS 22 -2.102 16.190 10.752 179 HB3 LYS 22 1HB LYS 22 -0.580 16.193 11.633 180 HG2 LYS 22 2HG LYS 22 -0.796 13.637 10.527 181 HG3 LYS 22 1HG LYS 22 -1.321 14.752 9.263 182 HD2 LYS 22 2HD LYS 22 1.307 14.688 10.726 183 HD3 LYS 22 1HD LYS 22 1.014 14.527 8.994 184 HE2 LYS 22 2HE LYS 22 -0.104 16.984 9.709 185 HE3 LYS 22 1HE LYS 22 1.430 16.903 10.573 186 HZ1 LYS 22 3HZ LYS 22 1.535 17.882 8.292 187 HZ2 LYS 22 1HZ LYS 22 1.176 16.350 7.672 188 HZ3 LYS 22 2HZ LYS 22 2.597 16.593 8.556 189 H VAL 23 H VAL 23 -1.750 12.288 12.304 190 HA VAL 23 HA VAL 23 -3.987 11.796 10.548 191 HB VAL 23 HB VAL 23 -3.218 9.583 10.339 192 HG11 VAL 23 1HG1 VAL 23 -0.539 10.742 10.766 193 HG12 VAL 23 2HG1 VAL 23 -1.621 11.651 9.711 194 HG13 VAL 23 3HG1 VAL 23 -1.231 9.972 9.338 195 HG21 VAL 23 3HG2 VAL 23 -2.214 10.021 13.052 196 HG22 VAL 23 1HG2 VAL 23 -1.124 9.097 12.020 197 HG23 VAL 23 2HG2 VAL 23 -2.778 8.542 12.275 198 H THR 24 H THR 24 -5.962 11.281 11.193 199 HA THR 24 HA THR 24 -6.350 10.341 13.924 200 HB THR 24 HB THR 24 -7.560 12.263 14.020 201 HG1 THR 24 1HG THR 24 -9.521 11.555 14.115 202 HG21 THR 24 3HG2 THR 24 -8.128 12.063 11.073 203 HG22 THR 24 1HG2 THR 24 -6.929 13.107 11.839 204 HG23 THR 24 2HG2 THR 24 -8.648 13.368 12.139 205 HA PRO 25 HA PRO 25 -8.281 6.590 12.694 206 HB2 PRO 25 2HB PRO 25 -10.824 7.437 13.980 207 HB3 PRO 25 1HB PRO 25 -9.850 5.990 14.259 208 HG2 PRO 25 2HG PRO 25 -9.860 7.988 16.023 209 HG3 PRO 25 1HG PRO 25 -8.372 7.093 15.663 210 HD2 PRO 25 2HD PRO 25 -9.219 9.810 14.753 211 HD3 PRO 25 1HD PRO 25 -7.606 9.222 15.205 212 H GLU 26 H GLU 26 -10.297 9.465 12.290 213 HA GLU 26 HA GLU 26 -11.560 8.244 9.956 214 HB2 GLU 26 2HB GLU 26 -13.372 9.691 10.228 215 HB3 GLU 26 1HB GLU 26 -12.923 9.286 11.879 216 HG2 GLU 26 2HG GLU 26 -12.249 11.383 12.359 217 HG3 GLU 26 1HG GLU 26 -11.639 11.678 10.731 218 H SER 27 H SER 27 -8.837 9.625 10.308 219 HA SER 27 HA SER 27 -8.825 12.052 8.922 220 HB2 SER 27 2HB SER 27 -6.918 10.422 10.100 221 HB3 SER 27 1HB SER 27 -6.465 10.422 8.396 222 HG SER 27 HG SER 27 -6.609 12.564 10.204 223 H HIS 28 H HIS 28 -8.949 12.595 6.840 224 HA HIS 28 HA HIS 28 -9.506 10.539 4.903 225 HB2 HIS 28 2HB HIS 28 -9.859 13.488 5.038 226 HB3 HIS 28 1HB HIS 28 -9.707 12.761 3.443 227 HD1 HIS 28 1HD HIS 28 -11.489 10.704 3.025 228 HD2 HIS 28 2HD HIS 28 -12.384 13.446 6.016 229 HE1 HIS 28 1HE HIS 28 -13.952 10.445 3.459 230 HE2 HIS 28 2HE HIS 28 -14.488 12.176 5.209 231 H PHE 29 H PHE 29 -8.364 10.274 2.936 232 HA PHE 29 HA PHE 29 -5.560 10.525 3.171 233 HB2 PHE 29 2HB PHE 29 -6.795 8.742 1.881 234 HB3 PHE 29 1HB PHE 29 -7.094 9.949 0.636 235 HD1 PHE 29 2HD PHE 29 -4.081 10.966 1.734 236 HD2 PHE 29 1HD PHE 29 -5.802 7.625 -0.264 237 HE1 PHE 29 2HE PHE 29 -1.899 10.451 0.722 238 HE2 PHE 29 1HE PHE 29 -3.622 7.104 -1.279 239 HZ PHE 29 HZ PHE 29 -1.667 8.519 -0.787 240 H VAL 30 H VAL 30 -6.846 11.458 0.103 241 HA VAL 30 HA VAL 30 -5.144 13.616 -0.250 242 HB VAL 30 HB VAL 30 -7.799 13.679 -1.599 243 HG11 VAL 30 1HG1 VAL 30 -6.386 14.178 -3.558 244 HG12 VAL 30 2HG1 VAL 30 -4.955 14.032 -2.537 245 HG13 VAL 30 3HG1 VAL 30 -6.131 15.310 -2.230 246 HG21 VAL 30 3HG2 VAL 30 -5.725 11.528 -1.975 247 HG22 VAL 30 1HG2 VAL 30 -6.965 11.905 -3.171 248 HG23 VAL 30 2HG2 VAL 30 -7.430 11.329 -1.570 249 H LYS 31 H LYS 31 -8.274 13.464 1.224 250 HA LYS 31 HA LYS 31 -8.833 16.232 1.252 251 HB2 LYS 31 2HB LYS 31 -9.889 14.498 3.422 252 HB3 LYS 31 1HB LYS 31 -10.719 15.695 2.437 253 HG2 LYS 31 2HG LYS 31 -10.481 14.062 0.511 254 HG3 LYS 31 1HG LYS 31 -10.008 12.868 1.722 255 HD2 LYS 31 2HD LYS 31 -12.294 12.517 1.524 256 HD3 LYS 31 1HD LYS 31 -12.186 13.583 2.927 257 HE2 LYS 31 2HE LYS 31 -12.354 15.373 0.876 258 HE3 LYS 31 1HE LYS 31 -13.360 14.053 0.281 259 HZ1 LYS 31 3HZ LYS 31 -14.688 14.169 2.257 260 HZ2 LYS 31 1HZ LYS 31 -14.600 15.717 1.579 261 HZ3 LYS 31 2HZ LYS 31 -13.672 15.336 2.941 262 H ASP 32 H ASP 32 -7.180 14.093 3.520 263 HA ASP 32 HA ASP 32 -6.839 16.210 5.439 264 HB2 ASP 32 2HB ASP 32 -7.217 13.737 5.996 265 HB3 ASP 32 1HB ASP 32 -5.525 13.508 5.562 266 H LEU 33 H LEU 33 -5.389 15.547 2.609 267 HA LEU 33 HA LEU 33 -3.555 17.021 1.986 268 HB2 LEU 33 2HB LEU 33 -2.407 15.998 4.583 269 HB3 LEU 33 1HB LEU 33 -1.504 16.938 3.410 270 HG LEU 33 HG LEU 33 -4.034 18.150 4.335 271 HD11 LEU 33 1HD1 LEU 33 -3.618 17.795 6.503 272 HD12 LEU 33 2HD1 LEU 33 -2.329 18.982 6.299 273 HD13 LEU 33 3HD1 LEU 33 -1.966 17.259 6.196 274 HD21 LEU 33 3HD2 LEU 33 -2.047 19.980 4.610 275 HD22 LEU 33 1HD2 LEU 33 -2.964 19.711 3.128 276 HD23 LEU 33 2HD2 LEU 33 -1.391 18.943 3.343 277 H GLY 34 H GLY 34 -4.398 14.596 1.043 278 HA2 GLY 34 2HA GLY 34 -2.740 12.412 1.127 279 HA3 GLY 34 1HA GLY 34 -3.602 12.916 -0.318 280 H LEU 35 H LEU 35 -0.888 11.726 0.129 281 HA LEU 35 HA LEU 35 0.994 13.757 -0.579 282 HB2 LEU 35 2HB LEU 35 1.148 10.752 -0.506 283 HB3 LEU 35 1HB LEU 35 2.496 11.759 -1.000 284 HG LEU 35 HG LEU 35 2.904 11.248 1.257 285 HD11 LEU 35 1HD1 LEU 35 2.667 13.409 2.423 286 HD12 LEU 35 2HD1 LEU 35 1.600 13.962 1.132 287 HD13 LEU 35 3HD1 LEU 35 3.286 13.582 0.780 288 HD21 LEU 35 3HD2 LEU 35 -0.023 11.775 1.636 289 HD22 LEU 35 1HD2 LEU 35 1.098 11.805 2.997 290 HD23 LEU 35 2HD2 LEU 35 0.908 10.334 2.044 291 H ASN 36 H ASN 36 2.215 13.823 -2.564 292 HA ASN 36 HA ASN 36 0.680 14.002 -4.848 293 HB2 ASN 36 2HB ASN 36 2.634 14.508 -5.997 294 HB3 ASN 36 1HB ASN 36 3.081 14.877 -4.336 295 HD21 ASN 36 1HD2 ASN 36 3.499 12.730 -7.002 296 HD22 ASN 36 2HD2 ASN 36 4.869 11.884 -6.382 297 H SER 37 H SER 37 1.703 12.744 -6.957 298 HA SER 37 HA SER 37 0.485 10.217 -6.881 299 HB2 SER 37 2HB SER 37 1.168 11.903 -8.868 300 HB3 SER 37 1HB SER 37 2.454 10.708 -9.027 301 H LEU 38 H LEU 38 3.911 10.923 -7.473 302 HA LEU 38 HA LEU 38 4.855 8.349 -7.378 303 HB2 LEU 38 2HB LEU 38 6.988 9.201 -7.248 304 HB3 LEU 38 1HB LEU 38 6.090 10.540 -7.920 305 HG LEU 38 HG LEU 38 7.756 10.492 -5.629 306 HD11 LEU 38 1HD1 LEU 38 6.436 12.387 -7.400 307 HD12 LEU 38 2HD1 LEU 38 8.050 12.426 -6.688 308 HD13 LEU 38 3HD1 LEU 38 6.663 12.995 -5.760 309 HD21 LEU 38 3HD2 LEU 38 4.864 11.021 -5.027 310 HD22 LEU 38 1HD2 LEU 38 6.170 11.746 -4.092 311 HD23 LEU 38 2HD2 LEU 38 6.002 9.993 -4.153 312 H ASP 39 H ASP 39 3.486 10.080 -4.833 313 HA ASP 39 HA ASP 39 4.878 8.747 -2.697 314 HB2 ASP 39 2HB ASP 39 2.410 10.482 -2.772 315 HB3 ASP 39 1HB ASP 39 3.045 9.778 -1.287 316 H VAL 40 H VAL 40 1.423 8.881 -2.633 317 HA VAL 40 HA VAL 40 0.893 6.463 -1.561 318 HB VAL 40 HB VAL 40 -0.745 8.338 -2.320 319 HG11 VAL 40 1HG1 VAL 40 -0.160 7.171 -4.809 320 HG12 VAL 40 2HG1 VAL 40 -1.347 8.424 -4.454 321 HG13 VAL 40 3HG1 VAL 40 -1.821 6.726 -4.425 322 HG21 VAL 40 3HG2 VAL 40 -1.221 5.432 -1.965 323 HG22 VAL 40 1HG2 VAL 40 -2.578 6.424 -2.502 324 HG23 VAL 40 2HG2 VAL 40 -1.758 6.797 -0.986 325 H VAL 41 H VAL 41 1.769 7.084 -4.885 326 HA VAL 41 HA VAL 41 1.036 4.559 -5.929 327 HB VAL 41 HB VAL 41 2.261 5.135 -7.889 328 HG11 VAL 41 1HG1 VAL 41 1.609 7.776 -7.875 329 HG12 VAL 41 2HG1 VAL 41 0.607 7.157 -6.563 330 HG13 VAL 41 3HG1 VAL 41 0.475 6.460 -8.179 331 HG21 VAL 41 3HG2 VAL 41 3.636 7.196 -6.175 332 HG22 VAL 41 1HG2 VAL 41 3.761 7.129 -7.932 333 HG23 VAL 41 2HG2 VAL 41 4.364 5.791 -6.954 334 H GLU 42 H GLU 42 4.108 5.861 -4.696 335 HA GLU 42 HA GLU 42 5.609 3.526 -5.242 336 HB2 GLU 42 2HB GLU 42 6.035 6.074 -3.860 337 HB3 GLU 42 1HB GLU 42 6.936 4.733 -3.164 338 HG2 GLU 42 2HG GLU 42 7.385 4.406 -5.840 339 HG3 GLU 42 1HG GLU 42 7.333 6.161 -5.674 340 H VAL 43 H VAL 43 3.881 4.702 -2.444 341 HA VAL 43 HA VAL 43 4.668 2.663 -0.656 342 HB VAL 43 HB VAL 43 3.805 4.361 0.574 343 HG11 VAL 43 1HG1 VAL 43 1.910 5.784 -0.154 344 HG12 VAL 43 2HG1 VAL 43 1.821 4.834 -1.635 345 HG13 VAL 43 3HG1 VAL 43 3.264 5.784 -1.280 346 HG21 VAL 43 3HG2 VAL 43 2.452 2.336 1.068 347 HG22 VAL 43 1HG2 VAL 43 1.218 2.979 -0.010 348 HG23 VAL 43 2HG2 VAL 43 1.646 3.859 1.452 349 H VAL 44 H VAL 44 1.901 3.092 -2.775 350 HA VAL 44 HA VAL 44 0.391 0.884 -1.977 351 HB VAL 44 HB VAL 44 -0.631 0.956 -4.225 352 HG11 VAL 44 1HG1 VAL 44 -0.797 3.731 -3.947 353 HG12 VAL 44 2HG1 VAL 44 -0.487 3.111 -2.325 354 HG13 VAL 44 3HG1 VAL 44 -1.870 2.519 -3.246 355 HG21 VAL 44 3HG2 VAL 44 1.253 3.208 -4.863 356 HG22 VAL 44 1HG2 VAL 44 0.127 2.384 -5.940 357 HG23 VAL 44 2HG2 VAL 44 1.566 1.545 -5.360 358 H PHE 45 H PHE 45 3.125 1.156 -4.165 359 HA PHE 45 HA PHE 45 2.958 -1.495 -5.177 360 HB2 PHE 45 2HB PHE 45 4.979 0.697 -5.257 361 HB3 PHE 45 1HB PHE 45 5.515 -0.937 -5.635 362 HD1 PHE 45 2HD PHE 45 4.051 -2.212 -7.391 363 HD2 PHE 45 1HD PHE 45 4.147 2.019 -6.944 364 HE1 PHE 45 2HE PHE 45 3.219 -1.954 -9.692 365 HE2 PHE 45 1HE PHE 45 3.314 2.285 -9.243 366 HZ PHE 45 HZ PHE 45 2.850 0.298 -10.621 367 H ALA 46 H ALA 46 4.399 0.023 -2.417 368 HA ALA 46 HA ALA 46 6.142 -2.054 -1.646 369 HB1 ALA 46 1HB ALA 46 4.879 -0.256 0.364 370 HB2 ALA 46 2HB ALA 46 5.982 0.418 -0.836 371 HB3 ALA 46 3HB ALA 46 6.539 -0.840 0.268 372 H ILE 47 H ILE 47 3.241 -1.057 0.092 373 HA ILE 47 HA ILE 47 2.882 -3.410 1.518 374 HB ILE 47 HB ILE 47 0.672 -2.678 2.038 375 HG12 ILE 47 2HG1 ILE 47 0.580 -1.847 -0.632 376 HG13 ILE 47 1HG1 ILE 47 -0.698 -1.687 0.567 377 HG21 ILE 47 1HG2 ILE 47 1.237 -0.048 2.208 378 HG22 ILE 47 2HG2 ILE 47 2.846 -0.698 1.899 379 HG23 ILE 47 3HG2 ILE 47 1.915 -1.270 3.283 380 HD11 ILE 47 3HD1 ILE 47 1.159 0.340 -0.514 381 HD12 ILE 47 1HD1 ILE 47 0.689 0.493 1.179 382 HD13 ILE 47 2HD1 ILE 47 -0.545 0.472 -0.081 383 H GLU 48 H GLU 48 1.740 -2.511 -1.694 384 HA GLU 48 HA GLU 48 -0.063 -4.579 -2.142 385 HB2 GLU 48 2HB GLU 48 0.110 -2.770 -3.720 386 HB3 GLU 48 1HB GLU 48 1.793 -3.158 -4.052 387 HG2 GLU 48 2HG GLU 48 -0.579 -4.878 -4.735 388 HG3 GLU 48 1HG GLU 48 0.332 -3.873 -5.860 389 H GLN 49 H GLN 49 3.415 -4.487 -2.316 390 HA GLN 49 HA GLN 49 3.829 -7.001 -3.521 391 HB2 GLN 49 2HB GLN 49 5.440 -4.916 -2.628 392 HB3 GLN 49 1HB GLN 49 5.886 -6.267 -1.596 393 HG2 GLN 49 2HG GLN 49 6.307 -7.632 -3.593 394 HG3 GLN 49 1HG GLN 49 5.912 -6.243 -4.605 395 HE21 GLN 49 1HE2 GLN 49 7.194 -4.221 -3.993 396 HE22 GLN 49 2HE2 GLN 49 8.887 -4.453 -3.732 397 H GLU 50 H GLU 50 3.645 -5.975 -0.131 398 HA GLU 50 HA GLU 50 3.636 -8.768 0.678 399 HB2 GLU 50 2HB GLU 50 5.235 -7.547 1.921 400 HB3 GLU 50 1HB GLU 50 4.118 -6.217 2.190 401 HG2 GLU 50 2HG GLU 50 4.607 -7.779 4.142 402 HG3 GLU 50 1HG GLU 50 2.921 -7.384 3.807 403 H PHE 51 H PHE 51 1.352 -7.625 -0.602 404 HA PHE 51 HA PHE 51 -0.598 -8.016 1.511 405 HB2 PHE 51 2HB PHE 51 -0.285 -5.634 -0.179 406 HB3 PHE 51 1HB PHE 51 -1.928 -6.252 -0.081 407 HD1 PHE 51 2HD PHE 51 0.940 -5.160 2.004 408 HD2 PHE 51 1HD PHE 51 -3.262 -5.790 1.768 409 HE1 PHE 51 2HE PHE 51 0.655 -4.050 4.182 410 HE2 PHE 51 1HE PHE 51 -3.555 -4.680 3.944 411 HZ PHE 51 HZ PHE 51 -1.594 -3.809 5.154 412 H ILE 52 H ILE 52 0.440 -8.657 -1.670 413 HA ILE 52 HA ILE 52 -0.320 -10.075 -3.276 414 HB ILE 52 HB ILE 52 -2.658 -11.056 -1.789 415 HG12 ILE 52 2HG1 ILE 52 -0.420 -12.321 -0.575 416 HG13 ILE 52 1HG1 ILE 52 -0.227 -10.584 -0.377 417 HG21 ILE 52 1HG2 ILE 52 -1.905 -13.167 -2.536 418 HG22 ILE 52 2HG2 ILE 52 -0.275 -12.562 -2.830 419 HG23 ILE 52 3HG2 ILE 52 -1.607 -12.044 -3.863 420 HD11 ILE 52 3HD1 ILE 52 -2.345 -12.385 0.677 421 HD12 ILE 52 1HD1 ILE 52 -2.713 -10.684 0.392 422 HD13 ILE 52 2HD1 ILE 52 -1.416 -11.132 1.500 423 H LEU 53 H LEU 53 -1.315 -7.374 -3.117 424 HA LEU 53 HA LEU 53 -3.355 -7.527 -5.059 425 HB2 LEU 53 2HB LEU 53 -4.337 -7.767 -2.493 426 HB3 LEU 53 1HB LEU 53 -4.526 -6.055 -2.824 427 HG LEU 53 HG LEU 53 -6.498 -6.660 -3.708 428 HD11 LEU 53 1HD1 LEU 53 -5.076 -6.081 -5.677 429 HD12 LEU 53 2HD1 LEU 53 -6.462 -7.105 -6.049 430 HD13 LEU 53 3HD1 LEU 53 -4.849 -7.809 -5.949 431 HD21 LEU 53 3HD2 LEU 53 -7.203 -8.859 -4.117 432 HD22 LEU 53 1HD2 LEU 53 -6.066 -8.997 -2.775 433 HD23 LEU 53 2HD2 LEU 53 -5.557 -9.424 -4.409 434 H ASP 54 H ASP 54 -3.382 -5.696 -6.241 435 HA ASP 54 HA ASP 54 -1.577 -3.595 -5.496 436 HB2 ASP 54 2HB ASP 54 -2.018 -2.705 -7.742 437 HB3 ASP 54 1HB ASP 54 -1.601 -4.416 -7.800 438 H ILE 55 H ILE 55 -2.079 -1.465 -5.081 439 HA ILE 55 HA ILE 55 -4.832 -0.977 -4.278 440 HB ILE 55 HB ILE 55 -2.258 0.443 -3.644 441 HG12 ILE 55 2HG1 ILE 55 -4.295 -0.711 -1.745 442 HG13 ILE 55 1HG1 ILE 55 -3.017 -1.699 -2.445 443 HG21 ILE 55 1HG2 ILE 55 -3.799 2.212 -3.909 444 HG22 ILE 55 2HG2 ILE 55 -3.708 1.904 -2.175 445 HG23 ILE 55 3HG2 ILE 55 -5.086 1.312 -3.105 446 HD11 ILE 55 3HD1 ILE 55 -2.476 -0.867 -0.199 447 HD12 ILE 55 1HD1 ILE 55 -2.571 0.785 -0.809 448 HD13 ILE 55 2HD1 ILE 55 -1.334 -0.312 -1.423 449 HA PRO 56 HA PRO 56 -3.305 2.653 -7.387 450 HB2 PRO 56 2HB PRO 56 -2.490 0.575 -9.370 451 HB3 PRO 56 1HB PRO 56 -1.839 2.197 -9.109 452 HG2 PRO 56 2HG PRO 56 -0.524 0.052 -8.241 453 HG3 PRO 56 1HG PRO 56 -0.577 1.541 -7.279 454 HD2 PRO 56 2HD PRO 56 -2.024 -1.031 -6.874 455 HD3 PRO 56 1HD PRO 56 -1.420 0.129 -5.673 456 H ASP 57 H ASP 57 -3.975 2.467 -10.037 457 HA ASP 57 HA ASP 57 -5.751 2.372 -11.454 458 HB2 ASP 57 2HB ASP 57 -6.077 -0.176 -9.905 459 HB3 ASP 57 1HB ASP 57 -7.312 0.312 -11.062 460 H HIS 58 H HIS 58 -8.315 2.088 -11.394 461 HA HIS 58 HA HIS 58 -9.397 4.204 -10.072 462 HB2 HIS 58 2HB HIS 58 -10.670 1.606 -10.920 463 HB3 HIS 58 1HB HIS 58 -11.612 2.924 -10.232 464 HD1 HIS 58 1HD HIS 58 -12.473 2.287 -12.937 465 HD2 HIS 58 2HD HIS 58 -9.219 4.785 -12.276 466 HE1 HIS 58 1HE HIS 58 -12.220 3.632 -15.047 467 HE2 HIS 58 2HE HIS 58 -10.192 5.075 -14.655 468 H ASP 59 H ASP 59 -8.450 1.211 -8.705 469 HA ASP 59 HA ASP 59 -10.142 1.130 -6.456 470 HB2 ASP 59 2HB ASP 59 -7.462 -0.054 -7.101 471 HB3 ASP 59 1HB ASP 59 -8.120 -0.197 -5.474 472 H ALA 60 H ALA 60 -6.929 2.549 -6.948 473 HA ALA 60 HA ALA 60 -6.749 3.538 -4.273 474 HB1 ALA 60 1HB ALA 60 -5.116 4.340 -6.674 475 HB2 ALA 60 2HB ALA 60 -4.766 2.956 -5.638 476 HB3 ALA 60 3HB ALA 60 -4.702 4.591 -4.978 477 H GLU 61 H GLU 61 -8.009 4.706 -7.267 478 HA GLU 61 HA GLU 61 -8.047 7.470 -6.533 479 HB2 GLU 61 2HB GLU 61 -8.935 5.842 -8.827 480 HB3 GLU 61 1HB GLU 61 -9.884 7.291 -8.526 481 HG2 GLU 61 2HG GLU 61 -8.042 7.618 -10.141 482 HG3 GLU 61 1HG GLU 61 -7.952 8.681 -8.737 483 H LYS 62 H LYS 62 -10.304 4.783 -6.390 484 HA LYS 62 HA LYS 62 -12.546 6.378 -5.626 485 HB2 LYS 62 2HB LYS 62 -12.092 3.400 -5.406 486 HB3 LYS 62 1HB LYS 62 -13.631 4.209 -5.144 487 HG2 LYS 62 2HG LYS 62 -12.834 5.095 -7.639 488 HG3 LYS 62 1HG LYS 62 -12.358 3.396 -7.613 489 HD2 LYS 62 2HD LYS 62 -14.475 2.731 -7.818 490 HD3 LYS 62 1HD LYS 62 -14.983 3.750 -6.469 491 HE2 LYS 62 2HE LYS 62 -15.810 4.098 -9.011 492 HE3 LYS 62 1HE LYS 62 -15.716 5.397 -7.822 493 HZ1 LYS 62 3HZ LYS 62 -14.560 5.516 -10.204 494 HZ2 LYS 62 1HZ LYS 62 -13.283 4.850 -9.316 495 HZ3 LYS 62 2HZ LYS 62 -13.957 6.329 -8.848 496 H ILE 63 H ILE 63 -9.865 6.152 -4.027 497 HA ILE 63 HA ILE 63 -11.050 5.588 -1.415 498 HB ILE 63 HB ILE 63 -8.684 4.676 -2.453 499 HG12 ILE 63 2HG1 ILE 63 -8.538 4.852 0.435 500 HG13 ILE 63 1HG1 ILE 63 -10.172 4.455 -0.088 501 HG21 ILE 63 1HG2 ILE 63 -8.075 7.004 -0.638 502 HG22 ILE 63 2HG2 ILE 63 -7.625 6.838 -2.335 503 HG23 ILE 63 3HG2 ILE 63 -6.911 5.772 -1.125 504 HD11 ILE 63 3HD1 ILE 63 -7.737 2.848 -0.136 505 HD12 ILE 63 1HD1 ILE 63 -8.681 2.779 -1.624 506 HD13 ILE 63 2HD1 ILE 63 -9.429 2.354 -0.085 507 H GLN 64 H GLN 64 -11.561 7.259 -0.163 508 HA GLN 64 HA GLN 64 -10.190 9.794 -0.592 509 HB2 GLN 64 2HB GLN 64 -13.008 9.436 0.416 510 HB3 GLN 64 1HB GLN 64 -12.215 10.957 0.031 511 HG2 GLN 64 2HG GLN 64 -13.208 10.783 -1.947 512 HG3 GLN 64 1HG GLN 64 -11.985 9.566 -2.313 513 HE21 GLN 64 1HE2 GLN 64 -12.548 7.320 -1.705 514 HE22 GLN 64 2HE2 GLN 64 -14.186 6.812 -1.914 515 H SER 65 H SER 65 -11.152 7.385 1.660 516 HA SER 65 HA SER 65 -10.280 9.046 3.921 517 HB2 SER 65 2HB SER 65 -12.275 6.934 3.600 518 HB3 SER 65 1HB SER 65 -11.224 6.676 4.993 519 HG SER 65 HG SER 65 -13.194 8.032 5.270 520 H ILE 66 H ILE 66 -8.554 8.495 5.167 521 HA ILE 66 HA ILE 66 -6.517 6.916 4.056 522 HB ILE 66 HB ILE 66 -6.631 7.542 6.988 523 HG12 ILE 66 2HG1 ILE 66 -7.108 9.450 5.011 524 HG13 ILE 66 1HG1 ILE 66 -6.613 9.763 6.672 525 HG21 ILE 66 1HG2 ILE 66 -4.344 7.630 5.030 526 HG22 ILE 66 2HG2 ILE 66 -4.753 6.228 6.018 527 HG23 ILE 66 3HG2 ILE 66 -4.254 7.733 6.788 528 HD11 ILE 66 3HD1 ILE 66 -4.768 9.410 4.322 529 HD12 ILE 66 1HD1 ILE 66 -4.277 9.734 5.985 530 HD13 ILE 66 2HD1 ILE 66 -5.201 10.939 5.086 531 HA PRO 67 HA PRO 67 -7.754 3.658 7.452 532 HB2 PRO 67 2HB PRO 67 -10.339 3.783 8.298 533 HB3 PRO 67 1HB PRO 67 -9.010 4.605 9.122 534 HG2 PRO 67 2HG PRO 67 -11.008 5.707 7.186 535 HG3 PRO 67 1HG PRO 67 -10.398 6.418 8.691 536 HD2 PRO 67 2HD PRO 67 -9.489 7.173 6.261 537 HD3 PRO 67 1HD PRO 67 -8.449 7.155 7.700 538 H ASP 68 H ASP 68 -10.253 4.795 5.221 539 HA ASP 68 HA ASP 68 -11.468 2.318 4.717 540 HB2 ASP 68 2HB ASP 68 -12.154 4.761 4.030 541 HB3 ASP 68 1HB ASP 68 -11.253 4.387 2.564 542 H ALA 69 H ALA 69 -8.564 3.768 3.494 543 HA ALA 69 HA ALA 69 -8.235 1.982 1.301 544 HB1 ALA 69 1HB ALA 69 -5.955 3.472 2.510 545 HB2 ALA 69 2HB ALA 69 -7.229 4.352 1.665 546 HB3 ALA 69 3HB ALA 69 -6.292 3.123 0.815 547 H VAL 70 H VAL 70 -6.760 2.275 4.486 548 HA VAL 70 HA VAL 70 -5.133 -0.026 4.242 549 HB VAL 70 HB VAL 70 -5.974 1.679 6.555 550 HG11 VAL 70 1HG1 VAL 70 -5.931 -0.749 7.244 551 HG12 VAL 70 2HG1 VAL 70 -4.836 0.317 8.123 552 HG13 VAL 70 3HG1 VAL 70 -4.211 -0.740 6.857 553 HG21 VAL 70 3HG2 VAL 70 -4.032 2.693 6.179 554 HG22 VAL 70 1HG2 VAL 70 -3.852 1.704 4.731 555 HG23 VAL 70 2HG2 VAL 70 -3.160 1.161 6.260 556 H GLU 71 H GLU 71 -8.441 0.441 4.973 557 HA GLU 71 HA GLU 71 -8.808 -1.995 6.422 558 HB2 GLU 71 2HB GLU 71 -10.544 0.205 5.457 559 HB3 GLU 71 1HB GLU 71 -11.311 -1.355 5.715 560 HG2 GLU 71 2HG GLU 71 -10.571 -1.376 8.016 561 HG3 GLU 71 1HG GLU 71 -9.701 0.139 7.773 562 H TYR 72 H TYR 72 -9.290 -0.912 3.100 563 HA TYR 72 HA TYR 72 -10.601 -3.255 2.212 564 HB2 TYR 72 2HB TYR 72 -10.860 -2.078 0.326 565 HB3 TYR 72 1HB TYR 72 -9.999 -0.766 1.124 566 HD1 TYR 72 2HD TYR 72 -9.564 -3.705 -1.088 567 HD2 TYR 72 1HD TYR 72 -7.847 -0.109 0.401 568 HE1 TYR 72 2HE TYR 72 -7.772 -3.873 -2.765 569 HE2 TYR 72 1HE TYR 72 -6.051 -0.266 -1.273 570 HH TYR 72 HH TYR 72 -5.819 -3.039 -3.464 571 H ILE 73 H ILE 73 -7.267 -2.151 1.943 572 HA ILE 73 HA ILE 73 -6.286 -4.434 0.623 573 HB ILE 73 HB ILE 73 -4.057 -3.604 1.802 574 HG12 ILE 73 2HG1 ILE 73 -4.969 -0.903 1.677 575 HG13 ILE 73 1HG1 ILE 73 -6.012 -1.792 2.781 576 HG21 ILE 73 1HG2 ILE 73 -5.387 -3.102 -0.637 577 HG22 ILE 73 2HG2 ILE 73 -3.659 -3.021 -0.300 578 HG23 ILE 73 3HG2 ILE 73 -4.661 -1.583 -0.112 579 HD11 ILE 73 3HD1 ILE 73 -3.355 -2.531 3.364 580 HD12 ILE 73 1HD1 ILE 73 -4.486 -1.605 4.351 581 HD13 ILE 73 2HD1 ILE 73 -3.409 -0.772 3.230 582 H ALA 74 H ALA 74 -6.736 -3.640 3.983 583 HA ALA 74 HA ALA 74 -5.198 -5.678 5.139 584 HB1 ALA 74 1HB ALA 74 -7.625 -4.218 6.151 585 HB2 ALA 74 2HB ALA 74 -5.932 -3.877 6.510 586 HB3 ALA 74 3HB ALA 74 -6.686 -5.346 7.130 587 H GLN 75 H GLN 75 -8.511 -5.611 4.008 588 HA GLN 75 HA GLN 75 -9.094 -8.258 4.924 589 HB2 GLN 75 2HB GLN 75 -10.631 -6.509 3.002 590 HB3 GLN 75 1HB GLN 75 -11.232 -7.970 3.773 591 HG2 GLN 75 2HG GLN 75 -11.263 -5.285 4.728 592 HG3 GLN 75 1HG GLN 75 -12.000 -6.726 5.426 593 HE21 GLN 75 1HE2 GLN 75 -10.413 -4.300 6.448 594 HE22 GLN 75 2HE2 GLN 75 -9.266 -5.005 7.529 595 H ASN 76 H ASN 76 -7.606 -6.874 2.197 596 HA ASN 76 HA ASN 76 -8.266 -8.736 0.201 597 HB2 ASN 76 2HB ASN 76 -6.249 -6.643 0.593 598 HB3 ASN 76 1HB ASN 76 -5.701 -7.970 -0.426 599 HD21 ASN 76 1HD2 ASN 76 -7.687 -5.210 -0.184 600 HD22 ASN 76 2HD2 ASN 76 -8.348 -5.260 -1.779 601 HA PRO 77 HA PRO 77 -4.359 -11.220 1.463 602 HB2 PRO 77 2HB PRO 77 -2.969 -10.492 3.653 603 HB3 PRO 77 1HB PRO 77 -2.683 -9.754 2.073 604 HG2 PRO 77 2HG PRO 77 -4.272 -8.718 4.389 605 HG3 PRO 77 1HG PRO 77 -3.142 -7.853 3.330 606 HD2 PRO 77 2HD PRO 77 -5.853 -7.751 3.037 607 HD3 PRO 77 1HD PRO 77 -4.716 -7.557 1.687 608 H MET 78 H MET 78 -6.154 -9.891 4.211 609 HA MET 78 HA MET 78 -5.979 -12.250 5.792 610 HB2 MET 78 2HB MET 78 -6.993 -9.604 6.095 611 HB3 MET 78 1HB MET 78 -8.277 -10.729 6.514 612 HG2 MET 78 2HG MET 78 -6.043 -11.764 7.772 613 HG3 MET 78 1HG MET 78 -5.882 -10.021 7.970 614 HE1 MET 78 3HE MET 78 -7.445 -13.154 8.556 615 HE2 MET 78 1HE MET 78 -9.121 -12.839 9.007 616 HE3 MET 78 2HE MET 78 -7.879 -12.951 10.253 617 H ALA 79 H ALA 79 -7.918 -11.309 3.147 618 HA ALA 79 HA ALA 79 -10.037 -13.168 3.760 619 HB1 ALA 79 1HB ALA 79 -10.519 -10.935 2.771 620 HB2 ALA 79 2HB ALA 79 -11.185 -12.288 1.857 621 HB3 ALA 79 3HB ALA 79 -9.722 -11.479 1.294 622 H LYS 80 H LYS 80 -7.224 -12.913 1.767 623 HA LYS 80 HA LYS 80 -7.783 -14.912 -0.119 624 HB2 LYS 80 2HB LYS 80 -5.009 -14.440 0.919 625 HB3 LYS 80 1HB LYS 80 -5.529 -14.802 -0.721 626 HG2 LYS 80 2HG LYS 80 -6.717 -12.492 -0.565 627 HG3 LYS 80 1HG LYS 80 -5.573 -12.209 0.750 628 HD2 LYS 80 2HD LYS 80 -4.117 -11.579 -0.819 629 HD3 LYS 80 1HD LYS 80 -4.013 -13.282 -1.269 630 HE2 LYS 80 2HE LYS 80 -4.521 -11.605 -3.126 631 HE3 LYS 80 1HE LYS 80 -5.551 -13.033 -3.016 632 HZ1 LYS 80 3HZ LYS 80 -7.277 -11.781 -2.061 633 HZ2 LYS 80 1HZ LYS 80 -6.713 -10.843 -3.351 634 HZ3 LYS 80 2HZ LYS 80 -6.278 -10.449 -1.765 635 H282 PNS 101 8H2 PNS 101 0.670 13.398 -11.839 636 H281 PNS 101 9H2 PNS 101 1.575 12.596 -10.552 637 H303 PNS 101 0H3 PNS 101 -1.008 14.516 -8.240 638 H302 PNS 101 1H3 PNS 101 -0.308 12.897 -8.277 639 H301 PNS 101 2H3 PNS 101 -1.606 13.322 -9.393 640 H313 PNS 101 3H3 PNS 101 1.417 14.445 -8.108 641 H312 PNS 101 4H3 PNS 101 1.721 15.638 -9.371 642 H311 PNS 101 5H3 PNS 101 2.378 14.008 -9.521 643 H32 PNS 101 6H3 PNS 101 -1.073 14.798 -11.194 644 H33 PNS 101 7H3 PNS 101 -1.926 15.818 -9.731 645 H36 PNS 101 8H3 PNS 101 2.265 15.995 -11.064 646 H372 PNS 101 9H3 PNS 101 1.903 14.474 -13.541 647 H371 PNS 101 0H4 PNS 101 2.543 13.656 -12.116 648 H382 PNS 101 1H4 PNS 101 4.485 14.235 -13.180 649 H381 PNS 101 2H4 PNS 101 3.801 15.715 -13.855 650 H41 PNS 101 3H4 PNS 101 3.881 14.465 -10.605 651 H422 PNS 101 4H4 PNS 101 6.183 16.180 -9.958 652 H421 PNS 101 5H4 PNS 101 5.187 15.321 -8.783 653 H431 PNS 101 7H4 PNS 101 6.386 13.433 -8.982 654 H432 PNS 101 6H4 PNS 101 6.479 13.571 -10.743 655 H44 PNS 101 8H4 PNS 101 8.385 15.495 -10.136 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -5.810 -7.580 7.217 2 H2 MET 1 2HT MET 1 -7.060 -6.944 8.206 3 H3 MET 1 3HT MET 1 -7.020 -8.621 7.842 4 HA MET 1 HA MET 1 -6.256 -8.398 10.002 5 HB2 MET 1 2HB MET 1 -4.686 -9.358 7.851 6 HB3 MET 1 1HB MET 1 -3.578 -8.589 8.979 7 HG2 MET 1 2HG MET 1 -4.858 -9.980 10.764 8 HG3 MET 1 1HG MET 1 -5.348 -10.954 9.378 9 HE1 MET 1 2HE MET 1 -2.592 -11.576 7.512 10 HE2 MET 1 3HE MET 1 -1.291 -10.646 8.255 11 HE3 MET 1 1HE MET 1 -2.809 -9.856 7.830 12 H ASN 2 H ASN 2 -4.550 -7.561 11.470 13 HA ASN 2 HA ASN 2 -4.470 -4.732 11.370 14 HB2 ASN 2 2HB ASN 2 -2.655 -5.377 13.309 15 HB3 ASN 2 1HB ASN 2 -4.393 -5.241 13.565 16 HD21 ASN 2 1HD2 ASN 2 -5.394 -6.934 14.384 17 HD22 ASN 2 2HD2 ASN 2 -4.782 -8.549 14.431 18 H ASP 3 H ASP 3 -2.236 -7.247 10.523 19 HA ASP 3 HA ASP 3 0.168 -5.913 10.501 20 HB2 ASP 3 2HB ASP 3 -0.950 -8.248 9.124 21 HB3 ASP 3 1HB ASP 3 0.366 -7.468 8.251 22 H VAL 4 H VAL 4 -2.520 -5.524 8.339 23 HA VAL 4 HA VAL 4 -1.069 -4.274 6.242 24 HB VAL 4 HB VAL 4 -3.256 -3.521 5.395 25 HG11 VAL 4 1HG1 VAL 4 -2.303 -5.827 5.018 26 HG12 VAL 4 2HG1 VAL 4 -4.046 -5.667 4.794 27 HG13 VAL 4 3HG1 VAL 4 -3.409 -6.395 6.270 28 HG21 VAL 4 3HG2 VAL 4 -5.153 -4.794 6.862 29 HG22 VAL 4 1HG2 VAL 4 -4.771 -3.077 6.983 30 HG23 VAL 4 2HG2 VAL 4 -4.065 -4.219 8.125 31 H LEU 5 H LEU 5 -3.243 -2.843 8.728 32 HA LEU 5 HA LEU 5 -2.552 -0.197 8.010 33 HB2 LEU 5 2HB LEU 5 -3.379 -0.088 10.666 34 HB3 LEU 5 1HB LEU 5 -4.343 0.227 9.244 35 HG LEU 5 HG LEU 5 -5.420 -1.336 10.805 36 HD11 LEU 5 1HD1 LEU 5 -4.888 -1.786 8.007 37 HD12 LEU 5 2HD1 LEU 5 -6.401 -1.919 8.904 38 HD13 LEU 5 3HD1 LEU 5 -5.284 -3.283 8.851 39 HD21 LEU 5 3HD2 LEU 5 -3.829 -3.650 10.159 40 HD22 LEU 5 1HD2 LEU 5 -4.359 -3.050 11.731 41 HD23 LEU 5 2HD2 LEU 5 -2.872 -2.435 11.008 42 H THR 6 H THR 6 -1.280 -2.491 10.294 43 HA THR 6 HA THR 6 0.292 -0.782 11.836 44 HB THR 6 HB THR 6 -0.141 -3.535 11.673 45 HG1 THR 6 1HG THR 6 1.677 -2.205 13.387 46 HG21 THR 6 3HG2 THR 6 2.304 -4.248 12.107 47 HG22 THR 6 1HG2 THR 6 2.704 -2.850 11.111 48 HG23 THR 6 2HG2 THR 6 1.709 -4.148 10.449 49 H ARG 7 H ARG 7 1.322 -2.776 9.094 50 HA ARG 7 HA ARG 7 3.863 -1.494 8.940 51 HB2 ARG 7 2HB ARG 7 3.579 -3.857 8.337 52 HB3 ARG 7 1HB ARG 7 2.524 -3.392 7.009 53 HG2 ARG 7 2HG ARG 7 5.196 -2.148 7.036 54 HG3 ARG 7 1HG ARG 7 5.141 -3.884 6.725 55 HD2 ARG 7 2HD ARG 7 3.088 -2.783 5.181 56 HD3 ARG 7 1HD ARG 7 4.455 -1.686 4.993 57 HE ARG 7 HE ARG 7 4.259 -4.408 4.044 58 HH11 ARG 7 1HH1 ARG 7 6.368 -1.748 4.821 59 HH12 ARG 7 2HH1 ARG 7 7.660 -2.309 3.812 60 HH21 ARG 7 1HH2 ARG 7 5.953 -5.156 2.713 61 HH22 ARG 7 2HH2 ARG 7 7.424 -4.247 2.613 62 H VAL 8 H VAL 8 0.920 -1.491 6.986 63 HA VAL 8 HA VAL 8 1.818 0.183 4.949 64 HB VAL 8 HB VAL 8 -0.441 -1.177 5.250 65 HG11 VAL 8 1HG1 VAL 8 -2.343 0.256 5.660 66 HG12 VAL 8 2HG1 VAL 8 -1.282 1.642 5.913 67 HG13 VAL 8 3HG1 VAL 8 -1.261 0.295 7.052 68 HG21 VAL 8 3HG2 VAL 8 -0.776 1.308 3.665 69 HG22 VAL 8 1HG2 VAL 8 -1.033 -0.375 3.204 70 HG23 VAL 8 2HG2 VAL 8 0.603 0.276 3.286 71 H LEU 9 H LEU 9 0.018 1.000 7.915 72 HA LEU 9 HA LEU 9 -0.116 3.766 7.473 73 HB2 LEU 9 2HB LEU 9 -1.076 3.869 9.510 74 HB3 LEU 9 1HB LEU 9 -1.103 2.126 9.365 75 HG LEU 9 HG LEU 9 1.287 2.366 10.514 76 HD11 LEU 9 1HD1 LEU 9 0.680 4.969 10.473 77 HD12 LEU 9 2HD1 LEU 9 1.662 4.230 11.738 78 HD13 LEU 9 3HD1 LEU 9 -0.054 4.528 12.015 79 HD21 LEU 9 3HD2 LEU 9 0.141 2.060 12.694 80 HD22 LEU 9 1HD2 LEU 9 -0.491 1.033 11.408 81 HD23 LEU 9 2HD2 LEU 9 -1.383 2.469 11.905 82 H GLU 10 H GLU 10 2.322 1.823 9.165 83 HA GLU 10 HA GLU 10 3.923 3.978 10.009 84 HB2 GLU 10 2HB GLU 10 5.539 2.372 10.606 85 HB3 GLU 10 1HB GLU 10 3.993 1.560 10.816 86 HG2 GLU 10 2HG GLU 10 4.522 -0.005 9.340 87 HG3 GLU 10 1HG GLU 10 5.016 1.190 8.141 88 H VAL 11 H VAL 11 3.794 2.122 7.070 89 HA VAL 11 HA VAL 11 6.219 2.869 5.940 90 HB VAL 11 HB VAL 11 3.688 1.831 4.898 91 HG11 VAL 11 1HG1 VAL 11 5.194 2.007 2.615 92 HG12 VAL 11 2HG1 VAL 11 5.415 3.589 3.359 93 HG13 VAL 11 3HG1 VAL 11 3.790 3.002 3.000 94 HG21 VAL 11 3HG2 VAL 11 5.824 0.520 3.731 95 HG22 VAL 11 1HG2 VAL 11 4.917 -0.006 5.150 96 HG23 VAL 11 2HG2 VAL 11 6.396 0.934 5.347 97 H VAL 12 H VAL 12 3.021 4.253 5.377 98 HA VAL 12 HA VAL 12 3.910 6.393 3.767 99 HB VAL 12 HB VAL 12 1.742 6.960 3.593 100 HG11 VAL 12 1HG1 VAL 12 0.368 5.139 3.685 101 HG12 VAL 12 2HG1 VAL 12 0.909 4.673 5.298 102 HG13 VAL 12 3HG1 VAL 12 1.927 4.342 3.897 103 HG21 VAL 12 3HG2 VAL 12 1.373 6.587 6.564 104 HG22 VAL 12 1HG2 VAL 12 0.234 7.344 5.452 105 HG23 VAL 12 2HG2 VAL 12 1.790 8.108 5.774 106 H LYS 13 H LYS 13 3.017 6.264 7.207 107 HA LYS 13 HA LYS 13 3.460 8.916 7.867 108 HB2 LYS 13 2HB LYS 13 3.754 6.378 9.459 109 HB3 LYS 13 1HB LYS 13 4.040 7.955 10.179 110 HG2 LYS 13 2HG LYS 13 1.599 6.601 9.887 111 HG3 LYS 13 1HG LYS 13 1.875 8.230 10.521 112 HD2 LYS 13 2HD LYS 13 1.877 8.012 7.586 113 HD3 LYS 13 1HD LYS 13 0.332 7.662 8.362 114 HE2 LYS 13 2HE LYS 13 1.347 9.942 9.643 115 HE3 LYS 13 1HE LYS 13 1.620 10.193 7.919 116 HZ1 LYS 13 3HZ LYS 13 -0.708 10.647 9.231 117 HZ2 LYS 13 1HZ LYS 13 -0.985 9.142 8.509 118 HZ3 LYS 13 2HZ LYS 13 -0.547 10.470 7.557 119 H ASN 14 H ASN 14 5.764 6.225 7.775 120 HA ASN 14 HA ASN 14 7.952 7.922 8.534 121 HB2 ASN 14 2HB ASN 14 7.913 5.041 7.623 122 HB3 ASN 14 1HB ASN 14 9.328 5.886 8.244 123 HD21 ASN 14 1HD2 ASN 14 6.956 3.800 9.043 124 HD22 ASN 14 2HD2 ASN 14 6.894 4.056 10.750 125 H PHE 15 H PHE 15 6.276 7.500 5.748 126 HA PHE 15 HA PHE 15 8.366 7.350 3.837 127 HB2 PHE 15 2HB PHE 15 5.503 7.457 3.813 128 HB3 PHE 15 1HB PHE 15 6.131 8.654 2.685 129 HD1 PHE 15 2HD PHE 15 8.070 5.655 3.372 130 HD2 PHE 15 1HD PHE 15 5.170 7.424 0.808 131 HE1 PHE 15 2HE PHE 15 8.459 3.880 1.713 132 HE2 PHE 15 1HE PHE 15 5.554 5.652 -0.855 133 HZ PHE 15 HZ PHE 15 7.201 3.878 -0.404 134 H GLU 16 H GLU 16 6.967 9.873 5.698 135 HA GLU 16 HA GLU 16 8.258 11.881 6.039 136 HB2 GLU 16 2HB GLU 16 9.478 12.900 4.319 137 HB3 GLU 16 1HB GLU 16 9.726 11.182 4.051 138 HG2 GLU 16 2HG GLU 16 8.984 11.400 1.988 139 HG3 GLU 16 1HG GLU 16 7.429 11.951 2.603 140 H LYS 17 H LYS 17 5.480 10.932 4.774 141 HA LYS 17 HA LYS 17 4.481 13.354 3.649 142 HB2 LYS 17 2HB LYS 17 3.523 10.645 4.070 143 HB3 LYS 17 1HB LYS 17 2.281 11.841 4.419 144 HG2 LYS 17 2HG LYS 17 1.908 11.513 2.198 145 HG3 LYS 17 1HG LYS 17 3.064 12.843 2.118 146 HD2 LYS 17 2HD LYS 17 4.159 10.088 2.154 147 HD3 LYS 17 1HD LYS 17 3.339 10.613 0.683 148 HE2 LYS 17 2HE LYS 17 5.873 11.561 1.895 149 HE3 LYS 17 1HE LYS 17 5.448 11.327 0.200 150 HZ1 LYS 17 3HZ LYS 17 5.571 13.613 0.422 151 HZ2 LYS 17 1HZ LYS 17 4.848 13.622 1.953 152 HZ3 LYS 17 2HZ LYS 17 3.911 13.326 0.576 153 H VAL 18 H VAL 18 3.995 11.656 6.738 154 HA VAL 18 HA VAL 18 3.952 13.930 8.329 155 HB VAL 18 HB VAL 18 1.378 13.797 8.830 156 HG11 VAL 18 1HG1 VAL 18 2.989 15.601 7.602 157 HG12 VAL 18 2HG1 VAL 18 1.278 15.856 7.945 158 HG13 VAL 18 3HG1 VAL 18 1.784 15.299 6.350 159 HG21 VAL 18 3HG2 VAL 18 1.260 11.946 7.008 160 HG22 VAL 18 1HG2 VAL 18 1.222 13.319 5.909 161 HG23 VAL 18 2HG2 VAL 18 -0.027 13.148 7.134 162 H ASP 19 H ASP 19 3.125 13.512 10.533 163 HA ASP 19 HA ASP 19 3.800 10.877 11.360 164 HB2 ASP 19 2HB ASP 19 3.402 13.454 12.604 165 HB3 ASP 19 1HB ASP 19 2.604 12.188 13.531 166 H ALA 20 H ALA 20 2.515 9.226 12.037 167 HA ALA 20 HA ALA 20 -0.149 9.118 11.120 168 HB1 ALA 20 1HB ALA 20 0.211 7.080 13.030 169 HB2 ALA 20 2HB ALA 20 1.763 7.303 12.221 170 HB3 ALA 20 3HB ALA 20 0.317 6.955 11.274 171 H SER 21 H SER 21 1.219 10.297 14.015 172 HA SER 21 HA SER 21 -0.927 9.833 15.789 173 HB2 SER 21 2HB SER 21 1.550 11.409 15.787 174 HB3 SER 21 1HB SER 21 0.251 12.122 16.742 175 HG SER 21 HG SER 21 0.547 9.417 17.105 176 H LYS 22 H LYS 22 -0.494 12.030 13.207 177 HA LYS 22 HA LYS 22 -2.467 13.916 14.155 178 HB2 LYS 22 2HB LYS 22 -1.657 15.328 12.590 179 HB3 LYS 22 1HB LYS 22 -0.308 14.200 12.542 180 HG2 LYS 22 2HG LYS 22 -1.785 12.991 10.746 181 HG3 LYS 22 1HG LYS 22 -2.534 14.583 10.603 182 HD2 LYS 22 2HD LYS 22 -0.303 13.765 9.257 183 HD3 LYS 22 1HD LYS 22 -0.756 15.444 9.544 184 HE2 LYS 22 2HE LYS 22 1.004 13.808 11.363 185 HE3 LYS 22 1HE LYS 22 1.599 14.928 10.138 186 HZ1 LYS 22 3HZ LYS 22 1.284 16.625 11.507 187 HZ2 LYS 22 1HZ LYS 22 0.927 15.523 12.741 188 HZ3 LYS 22 2HZ LYS 22 -0.320 16.183 11.809 189 H VAL 23 H VAL 23 -2.399 11.014 12.396 190 HA VAL 23 HA VAL 23 -4.607 11.463 10.672 191 HB VAL 23 HB VAL 23 -4.619 9.077 10.293 192 HG11 VAL 23 1HG1 VAL 23 -2.563 8.905 9.263 193 HG12 VAL 23 2HG1 VAL 23 -1.712 9.694 10.591 194 HG13 VAL 23 3HG1 VAL 23 -2.703 10.649 9.487 195 HG21 VAL 23 3HG2 VAL 23 -4.196 7.672 11.961 196 HG22 VAL 23 1HG2 VAL 23 -3.583 8.989 12.960 197 HG23 VAL 23 2HG2 VAL 23 -2.494 8.125 11.875 198 H THR 24 H THR 24 -6.699 11.517 11.131 199 HA THR 24 HA THR 24 -7.614 10.386 13.655 200 HB THR 24 HB THR 24 -7.882 13.000 12.663 201 HG1 THR 24 1HG THR 24 -9.607 12.531 14.639 202 HG21 THR 24 3HG2 THR 24 -9.914 11.856 11.461 203 HG22 THR 24 1HG2 THR 24 -10.070 13.438 12.224 204 HG23 THR 24 2HG2 THR 24 -10.645 11.995 13.059 205 HA PRO 25 HA PRO 25 -10.530 7.710 11.746 206 HB2 PRO 25 2HB PRO 25 -12.980 8.544 12.720 207 HB3 PRO 25 1HB PRO 25 -11.855 7.494 13.587 208 HG2 PRO 25 2HG PRO 25 -12.291 10.440 13.850 209 HG3 PRO 25 1HG PRO 25 -11.993 9.231 15.113 210 HD2 PRO 25 2HD PRO 25 -10.053 10.879 14.265 211 HD3 PRO 25 1HD PRO 25 -9.708 9.195 14.716 212 H GLU 26 H GLU 26 -11.480 11.112 11.658 213 HA GLU 26 HA GLU 26 -12.822 10.660 9.104 214 HB2 GLU 26 2HB GLU 26 -13.569 12.155 11.336 215 HB3 GLU 26 1HB GLU 26 -13.059 13.351 10.153 216 HG2 GLU 26 2HG GLU 26 -15.350 11.471 10.091 217 HG3 GLU 26 1HG GLU 26 -15.262 13.168 9.619 218 H SER 27 H SER 27 -9.841 11.119 9.916 219 HA SER 27 HA SER 27 -9.031 13.534 8.713 220 HB2 SER 27 2HB SER 27 -7.722 11.107 9.738 221 HB3 SER 27 1HB SER 27 -6.838 11.929 8.454 222 HG SER 27 HG SER 27 -7.882 13.348 10.659 223 H HIS 28 H HIS 28 -8.652 14.088 6.659 224 HA HIS 28 HA HIS 28 -9.425 12.290 4.571 225 HB2 HIS 28 2HB HIS 28 -8.801 15.176 4.794 226 HB3 HIS 28 1HB HIS 28 -8.504 14.435 3.225 227 HD1 HIS 28 1HD HIS 28 -11.056 12.444 3.635 228 HD2 HIS 28 2HD HIS 28 -10.997 16.597 3.767 229 HE1 HIS 28 1HE HIS 28 -13.409 13.166 3.117 230 HE2 HIS 28 2HE HIS 28 -13.368 15.680 3.288 231 H PHE 29 H PHE 29 -8.118 11.586 2.837 232 HA PHE 29 HA PHE 29 -5.498 10.825 3.570 233 HB2 PHE 29 2HB PHE 29 -7.264 9.835 1.816 234 HB3 PHE 29 1HB PHE 29 -6.275 10.772 0.701 235 HD1 PHE 29 2HD PHE 29 -3.857 10.193 2.834 236 HD2 PHE 29 1HD PHE 29 -6.484 7.889 0.405 237 HE1 PHE 29 2HE PHE 29 -2.201 8.374 2.775 238 HE2 PHE 29 1HE PHE 29 -4.834 6.065 0.342 239 HZ PHE 29 HZ PHE 29 -2.688 6.307 1.527 240 H VAL 30 H VAL 30 -4.454 11.253 0.773 241 HA VAL 30 HA VAL 30 -2.594 13.092 1.007 242 HB VAL 30 HB VAL 30 -2.385 13.209 -1.254 243 HG11 VAL 30 1HG1 VAL 30 -3.207 11.230 -2.297 244 HG12 VAL 30 2HG1 VAL 30 -4.553 11.121 -1.163 245 HG13 VAL 30 3HG1 VAL 30 -2.903 10.847 -0.602 246 HG21 VAL 30 3HG2 VAL 30 -3.900 14.607 -2.150 247 HG22 VAL 30 1HG2 VAL 30 -5.209 13.996 -1.138 248 HG23 VAL 30 2HG2 VAL 30 -4.747 13.127 -2.601 249 H LYS 31 H LYS 31 -5.960 13.843 0.702 250 HA LYS 31 HA LYS 31 -5.737 16.611 0.227 251 HB2 LYS 31 2HB LYS 31 -7.981 15.138 1.616 252 HB3 LYS 31 1HB LYS 31 -8.078 16.737 0.892 253 HG2 LYS 31 2HG LYS 31 -8.956 15.564 -0.820 254 HG3 LYS 31 1HG LYS 31 -7.255 15.365 -1.243 255 HD2 LYS 31 2HD LYS 31 -7.597 13.291 0.463 256 HD3 LYS 31 1HD LYS 31 -9.207 13.396 -0.253 257 HE2 LYS 31 2HE LYS 31 -8.248 13.240 -2.480 258 HE3 LYS 31 1HE LYS 31 -6.622 13.208 -1.797 259 HZ1 LYS 31 3HZ LYS 31 -8.671 11.172 -1.138 260 HZ2 LYS 31 1HZ LYS 31 -7.005 11.102 -0.855 261 HZ3 LYS 31 2HZ LYS 31 -7.600 10.998 -2.435 262 H ASP 32 H ASP 32 -6.244 14.789 3.240 263 HA ASP 32 HA ASP 32 -5.938 17.176 4.815 264 HB2 ASP 32 2HB ASP 32 -7.169 14.649 5.189 265 HB3 ASP 32 1HB ASP 32 -5.934 14.822 6.431 266 H LEU 33 H LEU 33 -3.761 15.577 3.213 267 HA LEU 33 HA LEU 33 -1.438 16.081 3.611 268 HB2 LEU 33 2HB LEU 33 -2.092 15.275 6.448 269 HB3 LEU 33 1HB LEU 33 -0.501 15.715 5.858 270 HG LEU 33 HG LEU 33 -2.610 17.733 5.422 271 HD11 LEU 33 1HD1 LEU 33 -2.730 16.549 7.842 272 HD12 LEU 33 2HD1 LEU 33 -3.097 18.250 7.556 273 HD13 LEU 33 3HD1 LEU 33 -1.504 17.780 8.148 274 HD21 LEU 33 3HD2 LEU 33 -0.867 19.234 5.723 275 HD22 LEU 33 1HD2 LEU 33 -0.066 17.850 4.979 276 HD23 LEU 33 2HD2 LEU 33 0.060 18.113 6.719 277 H GLY 34 H GLY 34 -2.827 13.897 2.534 278 HA2 GLY 34 2HA GLY 34 -1.531 11.524 3.663 279 HA3 GLY 34 1HA GLY 34 -2.803 11.529 2.450 280 H LEU 35 H LEU 35 -1.129 9.889 1.629 281 HA LEU 35 HA LEU 35 1.288 10.798 0.492 282 HB2 LEU 35 2HB LEU 35 -0.439 8.399 -0.087 283 HB3 LEU 35 1HB LEU 35 1.104 8.673 -0.872 284 HG LEU 35 HG LEU 35 0.813 7.178 1.340 285 HD11 LEU 35 1HD1 LEU 35 3.246 8.899 0.986 286 HD12 LEU 35 2HD1 LEU 35 2.830 7.617 -0.151 287 HD13 LEU 35 3HD1 LEU 35 3.147 7.227 1.540 288 HD21 LEU 35 3HD2 LEU 35 0.165 8.662 2.960 289 HD22 LEU 35 1HD2 LEU 35 1.050 10.005 2.239 290 HD23 LEU 35 2HD2 LEU 35 1.918 8.756 3.130 291 H ASN 36 H ASN 36 1.659 11.938 -1.301 292 HA ASN 36 HA ASN 36 -0.458 12.911 -2.900 293 HB2 ASN 36 2HB ASN 36 1.151 14.180 -4.038 294 HB3 ASN 36 1HB ASN 36 1.814 14.010 -2.415 295 HD21 ASN 36 1HD2 ASN 36 2.314 13.517 -5.712 296 HD22 ASN 36 2HD2 ASN 36 3.799 12.645 -5.608 297 H SER 37 H SER 37 0.673 12.821 -5.504 298 HA SER 37 HA SER 37 -0.468 10.433 -6.453 299 HB2 SER 37 2HB SER 37 -0.208 11.337 -8.523 300 HB3 SER 37 1HB SER 37 0.148 12.798 -7.602 301 H LEU 38 H LEU 38 2.915 11.457 -6.691 302 HA LEU 38 HA LEU 38 3.870 8.921 -7.446 303 HB2 LEU 38 2HB LEU 38 5.952 9.851 -7.486 304 HB3 LEU 38 1HB LEU 38 4.976 11.292 -7.574 305 HG LEU 38 HG LEU 38 6.851 10.440 -5.534 306 HD11 LEU 38 1HD1 LEU 38 5.640 13.132 -6.071 307 HD12 LEU 38 2HD1 LEU 38 6.986 12.464 -6.995 308 HD13 LEU 38 3HD1 LEU 38 7.169 12.774 -5.268 309 HD21 LEU 38 3HD2 LEU 38 4.079 11.171 -4.793 310 HD22 LEU 38 1HD2 LEU 38 5.396 11.878 -3.858 311 HD23 LEU 38 2HD2 LEU 38 5.233 10.126 -3.964 312 H ASP 39 H ASP 39 2.844 10.117 -4.457 313 HA ASP 39 HA ASP 39 4.444 8.354 -2.829 314 HB2 ASP 39 2HB ASP 39 2.177 10.248 -2.273 315 HB3 ASP 39 1HB ASP 39 2.733 9.115 -1.044 316 H VAL 40 H VAL 40 0.966 8.647 -2.577 317 HA VAL 40 HA VAL 40 0.206 6.265 -1.742 318 HB VAL 40 HB VAL 40 -1.143 8.258 -3.043 319 HG11 VAL 40 1HG1 VAL 40 -0.566 6.814 -5.157 320 HG12 VAL 40 2HG1 VAL 40 -2.160 7.547 -4.976 321 HG13 VAL 40 3HG1 VAL 40 -1.927 5.840 -4.600 322 HG21 VAL 40 3HG2 VAL 40 -1.761 5.835 -1.586 323 HG22 VAL 40 1HG2 VAL 40 -3.025 6.235 -2.749 324 HG23 VAL 40 2HG2 VAL 40 -2.543 7.414 -1.529 325 H VAL 41 H VAL 41 1.391 6.869 -5.013 326 HA VAL 41 HA VAL 41 0.848 4.261 -5.991 327 HB VAL 41 HB VAL 41 3.004 6.055 -7.071 328 HG11 VAL 41 1HG1 VAL 41 2.037 3.569 -7.839 329 HG12 VAL 41 2HG1 VAL 41 3.034 4.659 -8.805 330 HG13 VAL 41 3HG1 VAL 41 1.277 4.702 -8.957 331 HG21 VAL 41 3HG2 VAL 41 0.301 6.299 -8.216 332 HG22 VAL 41 1HG2 VAL 41 1.541 7.527 -7.955 333 HG23 VAL 41 2HG2 VAL 41 0.518 7.008 -6.616 334 H GLU 42 H GLU 42 3.731 5.810 -4.616 335 HA GLU 42 HA GLU 42 5.441 3.593 -4.985 336 HB2 GLU 42 2HB GLU 42 5.542 6.157 -3.535 337 HB3 GLU 42 1HB GLU 42 6.558 4.881 -2.875 338 HG2 GLU 42 2HG GLU 42 7.240 4.640 -5.427 339 HG3 GLU 42 1HG GLU 42 6.759 6.336 -5.443 340 H VAL 43 H VAL 43 3.466 4.680 -2.306 341 HA VAL 43 HA VAL 43 4.248 2.679 -0.474 342 HB VAL 43 HB VAL 43 3.209 4.206 0.797 343 HG11 VAL 43 1HG1 VAL 43 1.281 5.631 -0.216 344 HG12 VAL 43 2HG1 VAL 43 1.870 4.990 -1.748 345 HG13 VAL 43 3HG1 VAL 43 2.947 5.928 -0.713 346 HG21 VAL 43 3HG2 VAL 43 1.705 2.248 0.947 347 HG22 VAL 43 1HG2 VAL 43 0.680 3.014 -0.259 348 HG23 VAL 43 2HG2 VAL 43 0.912 3.783 1.305 349 H VAL 44 H VAL 44 1.529 3.004 -2.685 350 HA VAL 44 HA VAL 44 0.144 0.676 -1.993 351 HB VAL 44 HB VAL 44 -0.733 0.737 -4.351 352 HG11 VAL 44 1HG1 VAL 44 -1.089 2.593 -2.231 353 HG12 VAL 44 2HG1 VAL 44 -2.264 2.042 -3.425 354 HG13 VAL 44 3HG1 VAL 44 -1.257 3.450 -3.762 355 HG21 VAL 44 3HG2 VAL 44 1.236 2.996 -4.535 356 HG22 VAL 44 1HG2 VAL 44 -0.153 2.861 -5.612 357 HG23 VAL 44 2HG2 VAL 44 1.076 1.596 -5.594 358 H PHE 45 H PHE 45 2.866 1.245 -4.124 359 HA PHE 45 HA PHE 45 2.980 -1.337 -5.267 360 HB2 PHE 45 2HB PHE 45 4.490 1.103 -5.377 361 HB3 PHE 45 1HB PHE 45 5.591 -0.255 -5.162 362 HD1 PHE 45 1HD PHE 45 5.211 -2.272 -6.725 363 HD2 PHE 45 2HD PHE 45 3.755 1.649 -7.495 364 HE1 PHE 45 1HE PHE 45 5.041 -2.813 -9.124 365 HE2 PHE 45 2HE PHE 45 3.581 1.121 -9.894 366 HZ PHE 45 HZ PHE 45 4.225 -1.113 -10.711 367 H ALA 46 H ALA 46 4.174 0.091 -2.353 368 HA ALA 46 HA ALA 46 6.001 -1.922 -1.602 369 HB1 ALA 46 1HB ALA 46 5.229 -0.841 0.768 370 HB2 ALA 46 2HB ALA 46 4.805 0.443 -0.365 371 HB3 ALA 46 3HB ALA 46 6.461 -0.160 -0.296 372 H ILE 47 H ILE 47 3.251 -1.186 0.420 373 HA ILE 47 HA ILE 47 2.874 -3.519 1.677 374 HB ILE 47 HB ILE 47 0.318 -3.031 1.475 375 HG12 ILE 47 2HG1 ILE 47 1.256 -1.311 -0.496 376 HG13 ILE 47 1HG1 ILE 47 -0.350 -1.291 0.225 377 HG21 ILE 47 1HG2 ILE 47 1.882 -0.792 2.680 378 HG22 ILE 47 2HG2 ILE 47 2.064 -2.429 3.307 379 HG23 ILE 47 3HG2 ILE 47 0.481 -1.652 3.316 380 HD11 ILE 47 3HD1 ILE 47 0.154 0.481 1.609 381 HD12 ILE 47 1HD1 ILE 47 1.046 0.879 0.141 382 HD13 ILE 47 2HD1 ILE 47 1.892 0.187 1.524 383 H GLU 48 H GLU 48 1.481 -2.779 -1.517 384 HA GLU 48 HA GLU 48 0.162 -5.189 -1.929 385 HB2 GLU 48 2HB GLU 48 1.518 -3.423 -3.974 386 HB3 GLU 48 1HB GLU 48 0.353 -4.687 -4.346 387 HG2 GLU 48 2HG GLU 48 -0.298 -2.109 -4.067 388 HG3 GLU 48 1HG GLU 48 -1.407 -3.435 -3.729 389 H GLN 49 H GLN 49 3.515 -4.326 -2.350 390 HA GLN 49 HA GLN 49 4.399 -6.574 -3.764 391 HB2 GLN 49 2HB GLN 49 5.776 -4.736 -1.812 392 HB3 GLN 49 1HB GLN 49 6.622 -6.069 -2.585 393 HG2 GLN 49 2HG GLN 49 5.179 -4.447 -4.498 394 HG3 GLN 49 1HG GLN 49 6.336 -3.503 -3.561 395 HE21 GLN 49 1HE2 GLN 49 6.551 -3.966 -6.311 396 HE22 GLN 49 2HE2 GLN 49 7.963 -4.919 -6.596 397 H GLU 50 H GLU 50 3.948 -6.019 -0.306 398 HA GLU 50 HA GLU 50 4.488 -8.846 0.156 399 HB2 GLU 50 2HB GLU 50 6.021 -7.753 1.505 400 HB3 GLU 50 1HB GLU 50 4.929 -6.416 1.829 401 HG2 GLU 50 2HG GLU 50 5.426 -7.971 3.753 402 HG3 GLU 50 1HG GLU 50 3.726 -7.638 3.427 403 H PHE 51 H PHE 51 1.996 -7.851 -0.818 404 HA PHE 51 HA PHE 51 0.277 -8.737 1.346 405 HB2 PHE 51 2HB PHE 51 0.002 -6.222 -0.246 406 HB3 PHE 51 1HB PHE 51 -1.439 -7.028 0.365 407 HD1 PHE 51 2HD PHE 51 0.645 -7.944 2.787 408 HD2 PHE 51 1HD PHE 51 -0.974 -4.342 1.203 409 HE1 PHE 51 2HE PHE 51 0.966 -6.848 4.965 410 HE2 PHE 51 1HE PHE 51 -0.656 -3.239 3.379 411 HZ PHE 51 HZ PHE 51 0.316 -4.492 5.264 412 H ILE 52 H ILE 52 1.236 -9.047 -1.845 413 HA ILE 52 HA ILE 52 0.538 -10.375 -3.552 414 HB ILE 52 HB ILE 52 -1.755 -11.581 -2.180 415 HG12 ILE 52 2HG1 ILE 52 0.503 -12.793 -0.962 416 HG13 ILE 52 1HG1 ILE 52 0.613 -11.062 -0.667 417 HG21 ILE 52 1HG2 ILE 52 0.111 -12.244 -4.160 418 HG22 ILE 52 2HG2 ILE 52 -1.201 -13.246 -3.538 419 HG23 ILE 52 3HG2 ILE 52 0.407 -13.354 -2.822 420 HD11 ILE 52 3HD1 ILE 52 -1.418 -13.016 0.255 421 HD12 ILE 52 1HD1 ILE 52 -1.907 -11.343 -0.006 422 HD13 ILE 52 2HD1 ILE 52 -0.615 -11.715 1.134 423 H LEU 53 H LEU 53 -0.571 -7.744 -3.245 424 HA LEU 53 HA LEU 53 -2.633 -7.885 -5.168 425 HB2 LEU 53 2HB LEU 53 -3.574 -8.298 -2.626 426 HB3 LEU 53 1HB LEU 53 -3.792 -6.569 -2.821 427 HG LEU 53 HG LEU 53 -5.828 -7.651 -3.453 428 HD11 LEU 53 1HD1 LEU 53 -4.458 -6.953 -6.036 429 HD12 LEU 53 2HD1 LEU 53 -4.946 -5.743 -4.850 430 HD13 LEU 53 3HD1 LEU 53 -6.161 -6.765 -5.616 431 HD21 LEU 53 3HD2 LEU 53 -5.559 -9.814 -4.028 432 HD22 LEU 53 1HD2 LEU 53 -3.994 -9.528 -4.787 433 HD23 LEU 53 2HD2 LEU 53 -5.479 -9.158 -5.663 434 H ASP 54 H ASP 54 -2.747 -6.006 -6.267 435 HA ASP 54 HA ASP 54 -1.085 -3.830 -5.348 436 HB2 ASP 54 2HB ASP 54 -1.195 -2.991 -7.603 437 HB3 ASP 54 1HB ASP 54 -0.876 -4.722 -7.670 438 H ILE 55 H ILE 55 -1.789 -1.741 -4.989 439 HA ILE 55 HA ILE 55 -4.632 -1.467 -4.471 440 HB ILE 55 HB ILE 55 -2.292 0.270 -3.705 441 HG12 ILE 55 2HG1 ILE 55 -4.179 -1.276 -1.927 442 HG13 ILE 55 1HG1 ILE 55 -2.672 -1.956 -2.532 443 HG21 ILE 55 1HG2 ILE 55 -3.945 1.856 -3.870 444 HG22 ILE 55 2HG2 ILE 55 -4.166 1.312 -2.207 445 HG23 ILE 55 3HG2 ILE 55 -5.231 0.714 -3.479 446 HD11 ILE 55 3HD1 ILE 55 -2.090 -1.187 -0.440 447 HD12 ILE 55 1HD1 ILE 55 -3.097 0.255 -0.577 448 HD13 ILE 55 2HD1 ILE 55 -1.590 0.143 -1.486 449 HA PRO 56 HA PRO 56 -3.040 2.153 -7.611 450 HB2 PRO 56 2HB PRO 56 -2.277 -0.060 -9.476 451 HB3 PRO 56 1HB PRO 56 -1.620 1.576 -9.347 452 HG2 PRO 56 2HG PRO 56 -0.300 -0.502 -8.328 453 HG3 PRO 56 1HG PRO 56 -0.335 1.059 -7.490 454 HD2 PRO 56 2HD PRO 56 -1.743 -1.473 -6.834 455 HD3 PRO 56 1HD PRO 56 -1.185 -0.177 -5.758 456 H ASP 57 H ASP 57 -3.819 2.072 -10.148 457 HA ASP 57 HA ASP 57 -5.583 1.891 -11.580 458 HB2 ASP 57 2HB ASP 57 -5.757 -0.618 -10.021 459 HB3 ASP 57 1HB ASP 57 -7.237 -0.121 -10.835 460 H HIS 58 H HIS 58 -8.062 1.961 -11.596 461 HA HIS 58 HA HIS 58 -9.037 4.081 -10.255 462 HB2 HIS 58 2HB HIS 58 -10.472 1.582 -11.135 463 HB3 HIS 58 1HB HIS 58 -11.335 2.952 -10.445 464 HD1 HIS 58 1HD HIS 58 -12.001 2.173 -13.278 465 HD2 HIS 58 2HD HIS 58 -9.005 4.892 -12.332 466 HE1 HIS 58 1HE HIS 58 -11.688 3.573 -15.343 467 HE2 HIS 58 2HE HIS 58 -9.811 5.154 -14.776 468 H ASP 59 H ASP 59 -8.466 0.945 -8.922 469 HA ASP 59 HA ASP 59 -10.139 1.114 -6.659 470 HB2 ASP 59 2HB ASP 59 -7.532 -0.381 -6.664 471 HB3 ASP 59 1HB ASP 59 -9.047 -0.808 -5.876 472 H ALA 60 H ALA 60 -6.729 1.954 -7.167 473 HA ALA 60 HA ALA 60 -6.265 2.771 -4.492 474 HB1 ALA 60 1HB ALA 60 -4.791 2.998 -7.062 475 HB2 ALA 60 2HB ALA 60 -4.287 2.286 -5.529 476 HB3 ALA 60 3HB ALA 60 -4.307 4.039 -5.724 477 H GLU 61 H GLU 61 -7.571 4.328 -7.288 478 HA GLU 61 HA GLU 61 -7.297 6.990 -6.227 479 HB2 GLU 61 2HB GLU 61 -8.432 5.796 -8.716 480 HB3 GLU 61 1HB GLU 61 -8.942 7.413 -8.250 481 HG2 GLU 61 2HG GLU 61 -7.164 7.795 -9.681 482 HG3 GLU 61 1HG GLU 61 -6.438 7.938 -8.081 483 H LYS 62 H LYS 62 -9.656 4.458 -6.220 484 HA LYS 62 HA LYS 62 -11.906 6.077 -5.570 485 HB2 LYS 62 2HB LYS 62 -11.355 3.124 -5.428 486 HB3 LYS 62 1HB LYS 62 -12.857 3.805 -4.819 487 HG2 LYS 62 2HG LYS 62 -13.452 4.614 -6.984 488 HG3 LYS 62 1HG LYS 62 -11.867 4.188 -7.633 489 HD2 LYS 62 2HD LYS 62 -12.333 1.825 -7.248 490 HD3 LYS 62 1HD LYS 62 -13.904 2.238 -6.558 491 HE2 LYS 62 2HE LYS 62 -13.501 1.571 -9.152 492 HE3 LYS 62 1HE LYS 62 -14.845 2.557 -8.575 493 HZ1 LYS 62 3HZ LYS 62 -13.377 3.392 -10.517 494 HZ2 LYS 62 1HZ LYS 62 -12.301 3.848 -9.293 495 HZ3 LYS 62 2HZ LYS 62 -13.869 4.482 -9.322 496 H ILE 63 H ILE 63 -9.249 5.864 -3.872 497 HA ILE 63 HA ILE 63 -10.548 5.497 -1.278 498 HB ILE 63 HB ILE 63 -8.407 5.117 -0.307 499 HG12 ILE 63 2HG1 ILE 63 -7.369 6.141 -2.938 500 HG13 ILE 63 1HG1 ILE 63 -6.979 6.691 -1.312 501 HG21 ILE 63 1HG2 ILE 63 -8.887 3.668 -2.885 502 HG22 ILE 63 2HG2 ILE 63 -9.162 3.121 -1.230 503 HG23 ILE 63 3HG2 ILE 63 -7.517 3.259 -1.851 504 HD11 ILE 63 3HD1 ILE 63 -5.296 5.248 -2.712 505 HD12 ILE 63 1HD1 ILE 63 -6.257 3.913 -2.075 506 HD13 ILE 63 2HD1 ILE 63 -5.457 5.031 -0.969 507 H GLN 64 H GLN 64 -11.038 7.255 -0.145 508 HA GLN 64 HA GLN 64 -9.549 9.707 -0.658 509 HB2 GLN 64 2HB GLN 64 -12.446 9.412 0.129 510 HB3 GLN 64 1HB GLN 64 -11.600 10.944 -0.037 511 HG2 GLN 64 2HG GLN 64 -12.045 8.951 -2.247 512 HG3 GLN 64 1HG GLN 64 -12.983 10.421 -1.987 513 HE21 GLN 64 1HE2 GLN 64 -9.620 9.362 -2.372 514 HE22 GLN 64 2HE2 GLN 64 -9.126 10.704 -3.340 515 H SER 65 H SER 65 -11.239 7.799 1.780 516 HA SER 65 HA SER 65 -10.164 9.442 3.926 517 HB2 SER 65 2HB SER 65 -12.532 8.221 3.739 518 HB3 SER 65 1HB SER 65 -11.628 6.912 4.498 519 HG SER 65 HG SER 65 -12.376 9.382 5.512 520 H ILE 66 H ILE 66 -9.191 8.270 5.833 521 HA ILE 66 HA ILE 66 -6.909 6.815 4.945 522 HB ILE 66 HB ILE 66 -7.496 6.873 7.834 523 HG12 ILE 66 2HG1 ILE 66 -6.493 9.419 7.395 524 HG13 ILE 66 1HG1 ILE 66 -7.743 9.240 6.173 525 HG21 ILE 66 1HG2 ILE 66 -5.254 6.659 6.126 526 HG22 ILE 66 2HG2 ILE 66 -5.302 6.567 7.887 527 HG23 ILE 66 3HG2 ILE 66 -5.054 8.122 7.093 528 HD11 ILE 66 3HD1 ILE 66 -9.418 8.913 7.772 529 HD12 ILE 66 1HD1 ILE 66 -8.433 10.235 8.394 530 HD13 ILE 66 2HD1 ILE 66 -8.247 8.611 9.055 531 HA PRO 67 HA PRO 67 -9.063 3.278 7.497 532 HB2 PRO 67 2HB PRO 67 -11.760 3.508 7.765 533 HB3 PRO 67 1HB PRO 67 -10.615 4.125 8.961 534 HG2 PRO 67 2HG PRO 67 -12.062 5.592 6.790 535 HG3 PRO 67 1HG PRO 67 -11.779 6.077 8.473 536 HD2 PRO 67 2HD PRO 67 -10.300 7.032 6.422 537 HD3 PRO 67 1HD PRO 67 -9.622 6.773 8.041 538 H ASP 68 H ASP 68 -10.584 4.882 4.794 539 HA ASP 68 HA ASP 68 -11.940 2.635 3.745 540 HB2 ASP 68 2HB ASP 68 -12.544 4.906 3.084 541 HB3 ASP 68 1HB ASP 68 -10.957 5.133 2.357 542 H ALA 69 H ALA 69 -8.711 3.890 3.382 543 HA ALA 69 HA ALA 69 -7.975 2.196 1.221 544 HB1 ALA 69 1HB ALA 69 -5.793 3.074 1.448 545 HB2 ALA 69 2HB ALA 69 -6.086 3.547 3.121 546 HB3 ALA 69 3HB ALA 69 -6.899 4.400 1.808 547 H VAL 70 H VAL 70 -6.968 2.248 4.610 548 HA VAL 70 HA VAL 70 -5.687 -0.263 4.538 549 HB VAL 70 HB VAL 70 -6.396 1.692 6.614 550 HG11 VAL 70 1HG1 VAL 70 -7.485 -0.015 7.761 551 HG12 VAL 70 2HG1 VAL 70 -5.844 -0.077 8.403 552 HG13 VAL 70 3HG1 VAL 70 -6.361 -1.247 7.189 553 HG21 VAL 70 3HG2 VAL 70 -4.038 -0.115 6.102 554 HG22 VAL 70 1HG2 VAL 70 -4.121 1.067 7.408 555 HG23 VAL 70 2HG2 VAL 70 -4.167 1.604 5.729 556 H GLU 71 H GLU 71 -8.974 0.621 4.725 557 HA GLU 71 HA GLU 71 -9.962 -1.625 6.143 558 HB2 GLU 71 2HB GLU 71 -11.120 0.579 4.539 559 HB3 GLU 71 1HB GLU 71 -12.093 -0.878 4.679 560 HG2 GLU 71 2HG GLU 71 -10.920 0.317 7.140 561 HG3 GLU 71 1HG GLU 71 -12.330 1.074 6.400 562 H TYR 72 H TYR 72 -9.566 -0.889 2.699 563 HA TYR 72 HA TYR 72 -10.738 -3.293 1.790 564 HB2 TYR 72 2HB TYR 72 -10.597 -2.275 -0.192 565 HB3 TYR 72 1HB TYR 72 -9.819 -0.925 0.623 566 HD1 TYR 72 2HD TYR 72 -8.911 -4.289 -0.736 567 HD2 TYR 72 1HD TYR 72 -7.808 -0.214 -0.223 568 HE1 TYR 72 2HE TYR 72 -6.874 -4.680 -2.056 569 HE2 TYR 72 1HE TYR 72 -5.773 -0.591 -1.542 570 HH TYR 72 HH TYR 72 -4.997 -3.803 -2.853 571 H ILE 73 H ILE 73 -7.459 -2.313 2.532 572 HA ILE 73 HA ILE 73 -6.193 -4.653 1.570 573 HB ILE 73 HB ILE 73 -4.990 -3.206 3.843 574 HG12 ILE 73 2HG1 ILE 73 -6.125 -1.485 2.343 575 HG13 ILE 73 1HG1 ILE 73 -4.397 -1.277 2.602 576 HG21 ILE 73 1HG2 ILE 73 -3.750 -3.900 1.206 577 HG22 ILE 73 2HG2 ILE 73 -3.947 -5.096 2.488 578 HG23 ILE 73 3HG2 ILE 73 -2.965 -3.658 2.767 579 HD11 ILE 73 3HD1 ILE 73 -5.122 -0.917 0.267 580 HD12 ILE 73 1HD1 ILE 73 -5.594 -2.616 0.195 581 HD13 ILE 73 2HD1 ILE 73 -3.904 -2.180 0.447 582 H ALA 74 H ALA 74 -7.613 -3.719 4.601 583 HA ALA 74 HA ALA 74 -6.652 -5.728 6.263 584 HB1 ALA 74 1HB ALA 74 -8.402 -3.630 6.533 585 HB2 ALA 74 2HB ALA 74 -7.991 -4.799 7.788 586 HB3 ALA 74 3HB ALA 74 -9.428 -5.040 6.793 587 H GLN 75 H GLN 75 -9.345 -5.740 4.020 588 HA GLN 75 HA GLN 75 -10.259 -8.327 4.807 589 HB2 GLN 75 2HB GLN 75 -10.966 -6.955 2.234 590 HB3 GLN 75 1HB GLN 75 -11.929 -8.100 3.158 591 HG2 GLN 75 2HG GLN 75 -11.707 -5.207 3.402 592 HG3 GLN 75 1HG GLN 75 -13.001 -6.295 3.902 593 HE21 GLN 75 1HE2 GLN 75 -11.719 -3.994 5.253 594 HE22 GLN 75 2HE2 GLN 75 -11.194 -4.599 6.783 595 H ASN 76 H ASN 76 -9.142 -7.209 1.636 596 HA ASN 76 HA ASN 76 -8.718 -9.363 0.216 597 HB2 ASN 76 2HB ASN 76 -6.865 -7.077 0.708 598 HB3 ASN 76 1HB ASN 76 -6.249 -8.448 -0.211 599 HD21 ASN 76 1HD2 ASN 76 -7.797 -5.547 -0.415 600 HD22 ASN 76 2HD2 ASN 76 -8.510 -5.714 -1.980 601 HA PRO 77 HA PRO 77 -4.731 -11.098 2.294 602 HB2 PRO 77 2HB PRO 77 -3.848 -9.676 4.495 603 HB3 PRO 77 1HB PRO 77 -3.194 -9.515 2.862 604 HG2 PRO 77 2HG PRO 77 -5.202 -7.814 4.279 605 HG3 PRO 77 1HG PRO 77 -3.874 -7.328 3.207 606 HD2 PRO 77 2HD PRO 77 -6.413 -7.392 2.341 607 HD3 PRO 77 1HD PRO 77 -5.065 -7.860 1.286 608 H MET 78 H MET 78 -7.040 -9.459 4.429 609 HA MET 78 HA MET 78 -6.897 -11.008 6.688 610 HB2 MET 78 2HB MET 78 -8.442 -9.393 7.041 611 HB3 MET 78 1HB MET 78 -9.003 -9.425 5.375 612 HG2 MET 78 2HG MET 78 -10.844 -10.152 6.553 613 HG3 MET 78 1HG MET 78 -10.104 -11.659 6.017 614 HE1 MET 78 3HE MET 78 -10.544 -13.327 7.198 615 HE2 MET 78 1HE MET 78 -10.716 -13.520 8.943 616 HE3 MET 78 2HE MET 78 -9.119 -13.603 8.200 617 H ALA 79 H ALA 79 -7.865 -12.001 3.562 618 HA ALA 79 HA ALA 79 -8.323 -14.671 4.534 619 HB1 ALA 79 1HB ALA 79 -10.509 -12.963 3.836 620 HB2 ALA 79 2HB ALA 79 -10.539 -14.615 4.451 621 HB3 ALA 79 3HB ALA 79 -10.428 -14.322 2.715 622 H LYS 80 H LYS 80 -6.528 -13.018 2.695 623 HA LYS 80 HA LYS 80 -6.913 -13.892 0.049 624 HB2 LYS 80 2HB LYS 80 -4.601 -12.783 1.586 625 HB3 LYS 80 1HB LYS 80 -4.316 -13.465 -0.009 626 HG2 LYS 80 2HG LYS 80 -6.499 -11.821 -0.387 627 HG3 LYS 80 1HG LYS 80 -5.480 -10.925 0.742 628 HD2 LYS 80 2HD LYS 80 -3.554 -11.354 -0.815 629 HD3 LYS 80 1HD LYS 80 -4.723 -11.995 -1.971 630 HE2 LYS 80 2HE LYS 80 -4.493 -9.786 -2.641 631 HE3 LYS 80 1HE LYS 80 -5.940 -9.742 -1.636 632 HZ1 LYS 80 3HZ LYS 80 -4.401 -9.092 0.235 633 HZ2 LYS 80 1HZ LYS 80 -4.635 -7.928 -0.971 634 HZ3 LYS 80 2HZ LYS 80 -3.210 -8.838 -0.937 635 H282 PNS 101 8H2 PNS 101 2.115 12.240 -11.536 636 H281 PNS 101 9H2 PNS 101 3.825 12.124 -11.968 637 H303 PNS 101 0H3 PNS 101 1.312 13.599 -10.423 638 H302 PNS 101 1H3 PNS 101 2.187 15.053 -9.941 639 H301 PNS 101 2H3 PNS 101 1.956 13.740 -8.787 640 H313 PNS 101 3H3 PNS 101 4.342 13.757 -8.406 641 H312 PNS 101 4H3 PNS 101 5.188 12.568 -9.398 642 H311 PNS 101 5H3 PNS 101 3.696 12.123 -8.568 643 H32 PNS 101 6H3 PNS 101 4.632 13.704 -11.825 644 H33 PNS 101 7H3 PNS 101 2.672 14.702 -12.241 645 H36 PNS 101 8H3 PNS 101 5.163 16.731 -9.840 646 H372 PNS 101 9H3 PNS 101 7.085 17.188 -11.570 647 H371 PNS 101 0H4 PNS 101 5.490 17.897 -11.822 648 H382 PNS 101 1H4 PNS 101 5.116 15.465 -12.923 649 H381 PNS 101 2H4 PNS 101 5.637 16.887 -13.824 650 H41 PNS 101 3H4 PNS 101 7.039 14.637 -15.230 651 H422 PNS 101 4H4 PNS 101 8.745 16.861 -15.218 652 H421 PNS 101 5H4 PNS 101 7.786 16.297 -16.586 653 H431 PNS 101 7H4 PNS 101 5.857 17.546 -15.772 654 H432 PNS 101 6H4 PNS 101 6.790 18.088 -14.369 655 H44 PNS 101 8H4 PNS 101 7.194 20.004 -15.925 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -3.771 -8.510 7.306 2 H2 MET 1 2HT MET 1 -4.286 -10.039 7.890 3 H3 MET 1 3HT MET 1 -2.980 -9.223 8.648 4 HA MET 1 HA MET 1 -5.775 -8.308 8.547 5 HB2 MET 1 2HB MET 1 -5.317 -8.723 11.128 6 HB3 MET 1 1HB MET 1 -5.870 -10.017 10.074 7 HG2 MET 1 2HG MET 1 -2.957 -9.540 10.578 8 HG3 MET 1 1HG MET 1 -3.944 -10.505 11.675 9 HE1 MET 1 2HE MET 1 -1.533 -12.585 8.986 10 HE2 MET 1 3HE MET 1 -1.402 -11.633 10.464 11 HE3 MET 1 1HE MET 1 -1.473 -10.824 8.899 12 H ASN 2 H ASN 2 -3.823 -7.809 11.295 13 HA ASN 2 HA ASN 2 -3.997 -4.984 11.056 14 HB2 ASN 2 2HB ASN 2 -2.496 -6.709 13.029 15 HB3 ASN 2 1HB ASN 2 -2.672 -4.962 13.166 16 HD21 ASN 2 1HD2 ASN 2 -3.882 -7.849 14.153 17 HD22 ASN 2 2HD2 ASN 2 -5.466 -7.352 14.633 18 H ASP 3 H ASP 3 -1.534 -7.346 10.415 19 HA ASP 3 HA ASP 3 0.756 -5.821 10.401 20 HB2 ASP 3 2HB ASP 3 1.703 -7.438 8.880 21 HB3 ASP 3 1HB ASP 3 0.649 -8.281 10.014 22 H VAL 4 H VAL 4 -1.888 -5.743 8.168 23 HA VAL 4 HA VAL 4 -0.514 -4.469 6.033 24 HB VAL 4 HB VAL 4 -2.744 -3.924 5.148 25 HG11 VAL 4 1HG1 VAL 4 -1.625 -6.195 4.932 26 HG12 VAL 4 2HG1 VAL 4 -3.361 -6.129 4.624 27 HG13 VAL 4 3HG1 VAL 4 -2.761 -6.751 6.162 28 HG21 VAL 4 3HG2 VAL 4 -4.599 -5.181 6.624 29 HG22 VAL 4 1HG2 VAL 4 -4.237 -3.462 6.782 30 HG23 VAL 4 2HG2 VAL 4 -3.530 -4.620 7.908 31 H LEU 5 H LEU 5 -2.821 -3.172 8.436 32 HA LEU 5 HA LEU 5 -2.417 -0.487 7.674 33 HB2 LEU 5 2HB LEU 5 -4.002 0.030 9.196 34 HB3 LEU 5 1HB LEU 5 -4.318 -1.687 9.094 35 HG LEU 5 HG LEU 5 -4.328 -0.872 11.407 36 HD11 LEU 5 1HD1 LEU 5 -3.168 -3.128 10.424 37 HD12 LEU 5 2HD1 LEU 5 -3.515 -2.817 12.125 38 HD13 LEU 5 3HD1 LEU 5 -1.905 -2.492 11.479 39 HD21 LEU 5 3HD2 LEU 5 -2.693 0.348 12.352 40 HD22 LEU 5 1HD2 LEU 5 -2.282 0.748 10.683 41 HD23 LEU 5 2HD2 LEU 5 -1.412 -0.537 11.523 42 H THR 6 H THR 6 -0.923 -2.560 10.043 43 HA THR 6 HA THR 6 0.407 -0.598 11.528 44 HB THR 6 HB THR 6 0.243 -3.385 11.550 45 HG1 THR 6 1HG THR 6 1.862 -1.773 13.222 46 HG21 THR 6 3HG2 THR 6 2.728 -3.822 12.112 47 HG22 THR 6 1HG2 THR 6 3.029 -2.462 11.030 48 HG23 THR 6 2HG2 THR 6 2.190 -3.895 10.434 49 H ARG 7 H ARG 7 1.715 -2.664 8.968 50 HA ARG 7 HA ARG 7 4.129 -1.160 8.799 51 HB2 ARG 7 2HB ARG 7 4.060 -3.584 8.352 52 HB3 ARG 7 1HB ARG 7 3.053 -3.284 6.942 53 HG2 ARG 7 2HG ARG 7 5.524 -1.745 6.926 54 HG3 ARG 7 1HG ARG 7 5.785 -3.491 6.957 55 HD2 ARG 7 2HD ARG 7 3.684 -2.781 5.109 56 HD3 ARG 7 1HD ARG 7 5.172 -1.911 4.740 57 HE ARG 7 HE ARG 7 5.315 -4.804 5.140 58 HH11 ARG 7 1HH1 ARG 7 5.421 -2.063 2.996 59 HH12 ARG 7 2HH1 ARG 7 6.146 -2.945 1.693 60 HH21 ARG 7 1HH2 ARG 7 6.269 -5.977 3.431 61 HH22 ARG 7 2HH2 ARG 7 6.627 -5.171 1.941 62 H VAL 8 H VAL 8 1.183 -1.433 6.907 63 HA VAL 8 HA VAL 8 2.018 0.137 4.729 64 HB VAL 8 HB VAL 8 -0.048 -1.414 4.925 65 HG11 VAL 8 1HG1 VAL 8 -0.998 -0.143 6.855 66 HG12 VAL 8 2HG1 VAL 8 -2.118 -0.373 5.513 67 HG13 VAL 8 3HG1 VAL 8 -1.330 1.187 5.747 68 HG21 VAL 8 3HG2 VAL 8 -0.777 1.107 3.537 69 HG22 VAL 8 1HG2 VAL 8 -0.803 -0.557 2.954 70 HG23 VAL 8 2HG2 VAL 8 0.726 0.315 3.064 71 H LEU 9 H LEU 9 0.056 0.979 7.591 72 HA LEU 9 HA LEU 9 -0.219 3.708 6.913 73 HB2 LEU 9 2HB LEU 9 -1.581 3.700 8.668 74 HB3 LEU 9 1HB LEU 9 -1.152 2.028 8.933 75 HG LEU 9 HG LEU 9 0.908 3.463 10.141 76 HD11 LEU 9 1HD1 LEU 9 -0.914 5.359 9.822 77 HD12 LEU 9 2HD1 LEU 9 0.075 5.246 11.278 78 HD13 LEU 9 3HD1 LEU 9 -1.573 4.618 11.281 79 HD21 LEU 9 3HD2 LEU 9 0.088 2.499 12.152 80 HD22 LEU 9 1HD2 LEU 9 -0.249 1.358 10.850 81 HD23 LEU 9 2HD2 LEU 9 -1.544 2.365 11.495 82 H GLU 10 H GLU 10 2.074 2.013 9.016 83 HA GLU 10 HA GLU 10 3.462 4.299 9.894 84 HB2 GLU 10 2HB GLU 10 5.062 2.818 10.792 85 HB3 GLU 10 1HB GLU 10 3.533 1.953 10.880 86 HG2 GLU 10 2HG GLU 10 4.240 0.339 9.521 87 HG3 GLU 10 1HG GLU 10 4.970 1.481 8.391 88 H VAL 11 H VAL 11 3.785 2.260 7.094 89 HA VAL 11 HA VAL 11 6.305 3.014 6.230 90 HB VAL 11 HB VAL 11 3.935 1.895 4.921 91 HG11 VAL 11 1HG1 VAL 11 5.767 1.980 2.868 92 HG12 VAL 11 2HG1 VAL 11 5.821 3.607 3.544 93 HG13 VAL 11 3HG1 VAL 11 4.290 2.935 2.981 94 HG21 VAL 11 3HG2 VAL 11 6.638 0.862 4.411 95 HG22 VAL 11 1HG2 VAL 11 5.154 0.004 4.831 96 HG23 VAL 11 2HG2 VAL 11 6.096 0.807 6.088 97 H VAL 12 H VAL 12 3.191 4.318 5.200 98 HA VAL 12 HA VAL 12 4.326 6.421 3.660 99 HB VAL 12 HB VAL 12 2.230 6.842 2.986 100 HG11 VAL 12 1HG1 VAL 12 1.326 4.537 4.683 101 HG12 VAL 12 2HG1 VAL 12 2.387 4.310 3.292 102 HG13 VAL 12 3HG1 VAL 12 0.780 5.004 3.071 103 HG21 VAL 12 3HG2 VAL 12 0.380 7.356 4.403 104 HG22 VAL 12 1HG2 VAL 12 1.818 8.080 5.124 105 HG23 VAL 12 2HG2 VAL 12 1.155 6.587 5.789 106 H LYS 13 H LYS 13 2.866 6.293 6.893 107 HA LYS 13 HA LYS 13 3.002 9.025 7.477 108 HB2 LYS 13 2HB LYS 13 3.112 6.621 9.301 109 HB3 LYS 13 1HB LYS 13 2.961 8.275 9.876 110 HG2 LYS 13 2HG LYS 13 0.963 6.507 8.648 111 HG3 LYS 13 1HG LYS 13 0.768 7.810 9.830 112 HD2 LYS 13 2HD LYS 13 1.320 9.359 7.817 113 HD3 LYS 13 1HD LYS 13 0.877 7.958 6.841 114 HE2 LYS 13 2HE LYS 13 -1.208 7.991 8.516 115 HE3 LYS 13 1HE LYS 13 -0.804 9.708 8.537 116 HZ1 LYS 13 3HZ LYS 13 -1.481 8.057 6.166 117 HZ2 LYS 13 1HZ LYS 13 -0.891 9.640 6.070 118 HZ3 LYS 13 2HZ LYS 13 -2.379 9.336 6.814 119 H ASN 14 H ASN 14 5.444 6.538 7.589 120 HA ASN 14 HA ASN 14 7.318 8.361 8.848 121 HB2 ASN 14 2HB ASN 14 7.662 5.429 8.211 122 HB3 ASN 14 1HB ASN 14 8.768 6.424 9.152 123 HD21 ASN 14 1HD2 ASN 14 6.576 4.107 9.452 124 HD22 ASN 14 2HD2 ASN 14 5.934 4.463 11.015 125 H PHE 15 H PHE 15 6.296 7.603 5.837 126 HA PHE 15 HA PHE 15 8.797 7.450 4.473 127 HB2 PHE 15 2HB PHE 15 7.315 6.499 3.064 128 HB3 PHE 15 1HB PHE 15 5.955 7.375 3.759 129 HD1 PHE 15 2HD PHE 15 5.723 9.850 3.118 130 HD2 PHE 15 1HD PHE 15 8.103 7.059 0.965 131 HE1 PHE 15 2HE PHE 15 5.649 11.316 1.140 132 HE2 PHE 15 1HE PHE 15 8.034 8.517 -1.016 133 HZ PHE 15 HZ PHE 15 6.805 10.650 -0.930 134 H GLU 16 H GLU 16 6.865 9.957 5.732 135 HA GLU 16 HA GLU 16 8.001 12.110 5.966 136 HB2 GLU 16 2HB GLU 16 9.052 13.148 4.108 137 HB3 GLU 16 1HB GLU 16 9.619 11.486 4.134 138 HG2 GLU 16 2HG GLU 16 8.961 11.229 2.047 139 HG3 GLU 16 1HG GLU 16 7.301 11.576 2.526 140 H LYS 17 H LYS 17 5.393 10.736 4.578 141 HA LYS 17 HA LYS 17 4.151 12.919 3.279 142 HB2 LYS 17 2HB LYS 17 3.580 10.228 3.654 143 HB3 LYS 17 1HB LYS 17 2.287 11.073 4.490 144 HG2 LYS 17 2HG LYS 17 1.612 10.626 2.233 145 HG3 LYS 17 1HG LYS 17 1.840 12.364 2.439 146 HD2 LYS 17 2HD LYS 17 4.060 10.639 1.403 147 HD3 LYS 17 1HD LYS 17 2.789 11.217 0.324 148 HE2 LYS 17 2HE LYS 17 4.904 12.741 1.765 149 HE3 LYS 17 1HE LYS 17 4.352 12.886 0.097 150 HZ1 LYS 17 3HZ LYS 17 3.670 14.786 1.415 151 HZ2 LYS 17 1HZ LYS 17 2.851 13.779 2.501 152 HZ3 LYS 17 2HZ LYS 17 2.316 13.913 0.902 153 H VAL 18 H VAL 18 3.786 11.578 6.553 154 HA VAL 18 HA VAL 18 3.528 14.014 7.852 155 HB VAL 18 HB VAL 18 0.901 13.518 8.324 156 HG11 VAL 18 1HG1 VAL 18 1.380 15.717 7.994 157 HG12 VAL 18 2HG1 VAL 18 0.625 15.369 6.438 158 HG13 VAL 18 3HG1 VAL 18 2.383 15.402 6.578 159 HG21 VAL 18 3HG2 VAL 18 -0.208 12.592 6.612 160 HG22 VAL 18 1HG2 VAL 18 1.363 11.962 6.116 161 HG23 VAL 18 2HG2 VAL 18 0.749 13.455 5.407 162 H ASP 19 H ASP 19 3.046 13.805 10.091 163 HA ASP 19 HA ASP 19 3.761 11.299 11.189 164 HB2 ASP 19 2HB ASP 19 3.447 13.988 12.120 165 HB3 ASP 19 1HB ASP 19 2.585 12.905 13.210 166 H ALA 20 H ALA 20 2.541 9.636 11.842 167 HA ALA 20 HA ALA 20 -0.143 9.382 11.155 168 HB1 ALA 20 1HB ALA 20 0.144 7.549 13.160 169 HB2 ALA 20 2HB ALA 20 1.813 7.815 12.658 170 HB3 ALA 20 3HB ALA 20 0.608 7.299 11.477 171 H SER 21 H SER 21 1.229 11.060 13.759 172 HA SER 21 HA SER 21 -0.789 10.734 15.705 173 HB2 SER 21 2HB SER 21 1.639 12.203 15.445 174 HB3 SER 21 1HB SER 21 0.374 13.324 15.950 175 HG SER 21 HG SER 21 0.182 12.300 17.808 176 H LYS 22 H LYS 22 -0.695 12.471 12.772 177 HA LYS 22 HA LYS 22 -2.838 14.269 13.564 178 HB2 LYS 22 2HB LYS 22 -2.483 15.397 11.471 179 HB3 LYS 22 1HB LYS 22 -0.918 15.120 12.222 180 HG2 LYS 22 2HG LYS 22 -0.959 12.950 10.739 181 HG3 LYS 22 1HG LYS 22 -2.095 13.903 9.782 182 HD2 LYS 22 2HD LYS 22 0.799 14.175 10.083 183 HD3 LYS 22 1HD LYS 22 -0.263 14.727 8.786 184 HE2 LYS 22 2HE LYS 22 -0.988 16.587 10.308 185 HE3 LYS 22 1HE LYS 22 0.287 16.087 11.417 186 HZ1 LYS 22 3HZ LYS 22 1.149 17.830 10.100 187 HZ2 LYS 22 1HZ LYS 22 0.599 17.129 8.660 188 HZ3 LYS 22 2HZ LYS 22 1.863 16.411 9.523 189 H VAL 23 H VAL 23 -2.446 11.224 12.189 190 HA VAL 23 HA VAL 23 -4.723 11.295 10.444 191 HB VAL 23 HB VAL 23 -3.568 8.729 11.438 192 HG11 VAL 23 1HG1 VAL 23 -3.868 8.179 8.987 193 HG12 VAL 23 2HG1 VAL 23 -4.689 9.733 8.834 194 HG13 VAL 23 3HG1 VAL 23 -5.346 8.489 9.899 195 HG21 VAL 23 3HG2 VAL 23 -1.649 10.249 11.024 196 HG22 VAL 23 1HG2 VAL 23 -2.219 10.457 9.368 197 HG23 VAL 23 2HG2 VAL 23 -1.700 8.868 9.929 198 H THR 24 H THR 24 -6.775 11.018 11.007 199 HA THR 24 HA THR 24 -7.365 9.820 13.595 200 HB THR 24 HB THR 24 -7.973 12.339 12.910 201 HG1 THR 24 1HG THR 24 -8.826 10.573 14.730 202 HG21 THR 24 3HG2 THR 24 -10.115 10.673 11.727 203 HG22 THR 24 1HG2 THR 24 -9.489 12.244 11.228 204 HG23 THR 24 2HG2 THR 24 -10.583 12.127 12.606 205 HA PRO 25 HA PRO 25 -9.706 6.539 11.863 206 HB2 PRO 25 2HB PRO 25 -12.059 7.425 13.450 207 HB3 PRO 25 1HB PRO 25 -11.251 5.855 13.416 208 HG2 PRO 25 2HG PRO 25 -10.925 7.511 15.479 209 HG3 PRO 25 1HG PRO 25 -9.574 6.537 14.866 210 HD2 PRO 25 2HD PRO 25 -10.147 9.445 14.478 211 HD3 PRO 25 1HD PRO 25 -8.591 8.621 14.705 212 H GLU 26 H GLU 26 -11.414 9.634 12.052 213 HA GLU 26 HA GLU 26 -12.936 8.919 9.665 214 HB2 GLU 26 2HB GLU 26 -14.589 10.396 10.312 215 HB3 GLU 26 1HB GLU 26 -13.999 9.833 11.870 216 HG2 GLU 26 2HG GLU 26 -13.694 11.945 12.441 217 HG3 GLU 26 1HG GLU 26 -12.408 12.033 11.238 218 H SER 27 H SER 27 -10.066 10.099 10.145 219 HA SER 27 HA SER 27 -10.169 12.583 8.734 220 HB2 SER 27 2HB SER 27 -8.311 11.294 10.390 221 HB3 SER 27 1HB SER 27 -7.532 11.412 8.814 222 HG SER 27 HG SER 27 -7.095 13.352 9.565 223 H HIS 28 H HIS 28 -9.787 12.975 6.622 224 HA HIS 28 HA HIS 28 -9.862 10.759 4.812 225 HB2 HIS 28 2HB HIS 28 -9.938 13.741 4.501 226 HB3 HIS 28 1HB HIS 28 -9.691 12.709 3.096 227 HD1 HIS 28 1HD HIS 28 -11.662 10.763 2.873 228 HD2 HIS 28 2HD HIS 28 -12.546 14.205 5.026 229 HE1 HIS 28 1HE HIS 28 -14.173 10.868 2.972 230 HE2 HIS 28 2HE HIS 28 -14.685 13.005 4.204 231 H PHE 29 H PHE 29 -8.302 10.254 3.226 232 HA PHE 29 HA PHE 29 -5.624 10.449 4.100 233 HB2 PHE 29 2HB PHE 29 -6.751 8.624 2.650 234 HB3 PHE 29 1HB PHE 29 -6.389 9.693 1.299 235 HD1 PHE 29 2HD PHE 29 -3.749 10.746 2.398 236 HD2 PHE 29 1HD PHE 29 -5.351 6.819 2.046 237 HE1 PHE 29 2HE PHE 29 -1.468 9.830 2.288 238 HE2 PHE 29 1HE PHE 29 -3.073 5.896 1.935 239 HZ PHE 29 HZ PHE 29 -1.128 7.402 2.056 240 H VAL 30 H VAL 30 -6.537 11.269 0.818 241 HA VAL 30 HA VAL 30 -4.549 13.280 0.640 242 HB VAL 30 HB VAL 30 -5.760 13.793 -1.585 243 HG11 VAL 30 1HG1 VAL 30 -4.756 11.800 -2.639 244 HG12 VAL 30 2HG1 VAL 30 -4.532 11.093 -1.038 245 HG13 VAL 30 3HG1 VAL 30 -3.677 12.573 -1.477 246 HG21 VAL 30 3HG2 VAL 30 -7.277 12.148 -2.401 247 HG22 VAL 30 1HG2 VAL 30 -7.878 12.677 -0.829 248 HG23 VAL 30 2HG2 VAL 30 -7.038 11.134 -0.978 249 H LYS 31 H LYS 31 -7.953 13.283 1.260 250 HA LYS 31 HA LYS 31 -8.365 16.058 0.829 251 HB2 LYS 31 2HB LYS 31 -10.099 14.361 2.593 252 HB3 LYS 31 1HB LYS 31 -10.561 15.715 1.572 253 HG2 LYS 31 2HG LYS 31 -10.046 14.325 -0.416 254 HG3 LYS 31 1HG LYS 31 -9.747 12.963 0.666 255 HD2 LYS 31 2HD LYS 31 -12.121 13.396 -0.461 256 HD3 LYS 31 1HD LYS 31 -11.952 12.679 1.144 257 HE2 LYS 31 2HE LYS 31 -12.347 14.804 2.193 258 HE3 LYS 31 1HE LYS 31 -12.324 15.627 0.633 259 HZ1 LYS 31 3HZ LYS 31 -14.302 14.323 0.012 260 HZ2 LYS 31 1HZ LYS 31 -14.578 15.329 1.344 261 HZ3 LYS 31 2HZ LYS 31 -14.349 13.668 1.571 262 H ASP 32 H ASP 32 -7.066 14.249 3.443 263 HA ASP 32 HA ASP 32 -7.491 16.457 5.282 264 HB2 ASP 32 2HB ASP 32 -8.019 13.956 5.818 265 HB3 ASP 32 1HB ASP 32 -6.288 13.859 6.129 266 H LEU 33 H LEU 33 -5.192 15.584 3.122 267 HA LEU 33 HA LEU 33 -3.258 17.328 4.137 268 HB2 LEU 33 2HB LEU 33 -3.155 14.696 5.264 269 HB3 LEU 33 1HB LEU 33 -1.713 14.979 4.308 270 HG LEU 33 HG LEU 33 -2.595 17.015 6.321 271 HD11 LEU 33 1HD1 LEU 33 -2.541 14.828 7.467 272 HD12 LEU 33 2HD1 LEU 33 -1.283 15.930 8.029 273 HD13 LEU 33 3HD1 LEU 33 -0.875 14.614 6.927 274 HD21 LEU 33 3HD2 LEU 33 -0.849 17.923 5.181 275 HD22 LEU 33 1HD2 LEU 33 -0.149 16.355 4.778 276 HD23 LEU 33 2HD2 LEU 33 0.058 17.024 6.397 277 H GLY 34 H GLY 34 -4.041 14.639 2.078 278 HA2 GLY 34 2HA GLY 34 -3.464 14.178 -0.099 279 HA3 GLY 34 1HA GLY 34 -2.962 15.855 -0.214 280 H LEU 35 H LEU 35 -1.951 12.604 0.047 281 HA LEU 35 HA LEU 35 0.751 13.146 0.814 282 HB2 LEU 35 2HB LEU 35 1.103 10.746 0.095 283 HB3 LEU 35 1HB LEU 35 -0.038 11.010 1.399 284 HG LEU 35 HG LEU 35 -1.906 10.756 -0.175 285 HD11 LEU 35 1HD1 LEU 35 -1.253 9.734 -2.442 286 HD12 LEU 35 2HD1 LEU 35 0.322 10.473 -2.156 287 HD13 LEU 35 3HD1 LEU 35 -1.123 11.481 -2.241 288 HD21 LEU 35 3HD2 LEU 35 -1.885 8.479 -0.110 289 HD22 LEU 35 1HD2 LEU 35 -0.540 8.806 0.985 290 HD23 LEU 35 2HD2 LEU 35 -0.224 8.366 -0.693 291 H ASN 36 H ASN 36 2.616 12.915 -0.504 292 HA ASN 36 HA ASN 36 2.445 14.172 -3.009 293 HB2 ASN 36 2HB ASN 36 4.454 14.048 -1.428 294 HB3 ASN 36 1HB ASN 36 4.771 12.470 -2.128 295 HD21 ASN 36 1HD2 ASN 36 5.108 12.366 -4.395 296 HD22 ASN 36 2HD2 ASN 36 5.833 13.694 -5.229 297 H SER 37 H SER 37 3.313 13.249 -5.068 298 HA SER 37 HA SER 37 1.784 11.020 -5.858 299 HB2 SER 37 2HB SER 37 2.219 12.451 -7.626 300 HB3 SER 37 1HB SER 37 3.900 12.689 -7.150 301 H LEU 38 H LEU 38 5.300 11.358 -5.782 302 HA LEU 38 HA LEU 38 5.953 8.706 -6.215 303 HB2 LEU 38 2HB LEU 38 8.132 9.224 -5.514 304 HB3 LEU 38 1HB LEU 38 7.495 10.706 -6.186 305 HG LEU 38 HG LEU 38 8.588 10.233 -3.595 306 HD11 LEU 38 1HD1 LEU 38 7.845 12.502 -5.336 307 HD12 LEU 38 2HD1 LEU 38 9.378 12.127 -4.551 308 HD13 LEU 38 3HD1 LEU 38 8.061 12.836 -3.618 309 HD21 LEU 38 3HD2 LEU 38 5.705 10.975 -3.696 310 HD22 LEU 38 1HD2 LEU 38 6.747 11.695 -2.472 311 HD23 LEU 38 2HD2 LEU 38 6.558 9.944 -2.549 312 H ASP 39 H ASP 39 4.385 10.023 -3.554 313 HA ASP 39 HA ASP 39 5.356 8.173 -1.576 314 HB2 ASP 39 2HB ASP 39 4.622 10.214 -0.668 315 HB3 ASP 39 1HB ASP 39 3.154 10.220 -1.641 316 H VAL 40 H VAL 40 1.948 8.619 -1.837 317 HA VAL 40 HA VAL 40 1.029 6.182 -1.346 318 HB VAL 40 HB VAL 40 -0.104 8.415 -2.521 319 HG11 VAL 40 1HG1 VAL 40 0.441 6.994 -4.693 320 HG12 VAL 40 2HG1 VAL 40 -1.041 7.938 -4.544 321 HG13 VAL 40 3HG1 VAL 40 -1.069 6.200 -4.246 322 HG21 VAL 40 3HG2 VAL 40 -0.969 6.786 -0.770 323 HG22 VAL 40 1HG2 VAL 40 -1.572 5.823 -2.118 324 HG23 VAL 40 2HG2 VAL 40 -2.160 7.468 -1.878 325 H VAL 41 H VAL 41 2.588 7.104 -4.344 326 HA VAL 41 HA VAL 41 1.911 4.800 -5.832 327 HB VAL 41 HB VAL 41 3.940 5.420 -7.221 328 HG11 VAL 41 1HG1 VAL 41 1.833 6.165 -7.967 329 HG12 VAL 41 2HG1 VAL 41 2.876 7.588 -7.995 330 HG13 VAL 41 3HG1 VAL 41 1.716 7.369 -6.684 331 HG21 VAL 41 3HG2 VAL 41 4.452 7.991 -6.547 332 HG22 VAL 41 1HG2 VAL 41 5.458 6.623 -6.071 333 HG23 VAL 41 2HG2 VAL 41 4.255 7.264 -4.951 334 H GLU 42 H GLU 42 4.868 5.653 -4.025 335 HA GLU 42 HA GLU 42 6.144 3.176 -4.487 336 HB2 GLU 42 2HB GLU 42 6.600 5.503 -2.696 337 HB3 GLU 42 1HB GLU 42 7.401 3.994 -2.283 338 HG2 GLU 42 2HG GLU 42 8.044 4.107 -4.865 339 HG3 GLU 42 1HG GLU 42 7.858 5.831 -4.551 340 H VAL 43 H VAL 43 4.096 4.389 -1.935 341 HA VAL 43 HA VAL 43 4.402 2.203 -0.175 342 HB VAL 43 HB VAL 43 3.331 3.603 1.172 343 HG11 VAL 43 1HG1 VAL 43 2.326 5.719 0.311 344 HG12 VAL 43 2HG1 VAL 43 2.652 5.140 -1.321 345 HG13 VAL 43 3HG1 VAL 43 3.987 5.435 -0.207 346 HG21 VAL 43 3HG2 VAL 43 1.348 2.476 1.117 347 HG22 VAL 43 1HG2 VAL 43 1.089 2.815 -0.588 348 HG23 VAL 43 2HG2 VAL 43 0.821 4.079 0.604 349 H VAL 44 H VAL 44 2.157 2.915 -2.770 350 HA VAL 44 HA VAL 44 0.339 0.821 -2.300 351 HB VAL 44 HB VAL 44 -0.219 1.035 -4.741 352 HG11 VAL 44 1HG1 VAL 44 -0.614 2.862 -2.626 353 HG12 VAL 44 2HG1 VAL 44 -1.643 2.574 -4.027 354 HG13 VAL 44 3HG1 VAL 44 -0.382 3.803 -4.098 355 HG21 VAL 44 3HG2 VAL 44 0.844 2.619 -6.118 356 HG22 VAL 44 1HG2 VAL 44 2.154 1.732 -5.339 357 HG23 VAL 44 2HG2 VAL 44 1.711 3.338 -4.761 358 H PHE 45 H PHE 45 3.408 0.985 -3.968 359 HA PHE 45 HA PHE 45 3.254 -1.584 -5.173 360 HB2 PHE 45 2HB PHE 45 5.068 0.619 -5.151 361 HB3 PHE 45 1HB PHE 45 5.968 -0.840 -4.752 362 HD1 PHE 45 1HD PHE 45 5.644 -2.858 -6.295 363 HD2 PHE 45 2HD PHE 45 4.588 1.122 -7.355 364 HE1 PHE 45 1HE PHE 45 5.716 -3.480 -8.679 365 HE2 PHE 45 2HE PHE 45 4.656 0.512 -9.741 366 HZ PHE 45 HZ PHE 45 5.221 -1.793 -10.404 367 H ALA 46 H ALA 46 4.309 -0.345 -2.120 368 HA ALA 46 HA ALA 46 5.811 -2.529 -1.205 369 HB1 ALA 46 1HB ALA 46 4.291 -1.075 0.835 370 HB2 ALA 46 2HB ALA 46 5.259 -0.062 -0.236 371 HB3 ALA 46 3HB ALA 46 6.027 -1.350 0.691 372 H ILE 47 H ILE 47 2.698 -1.630 0.168 373 HA ILE 47 HA ILE 47 2.039 -4.014 1.326 374 HB ILE 47 HB ILE 47 -0.285 -3.348 1.275 375 HG12 ILE 47 2HG1 ILE 47 -0.048 -2.586 -1.215 376 HG13 ILE 47 1HG1 ILE 47 -1.211 -1.780 -0.168 377 HG21 ILE 47 1HG2 ILE 47 1.863 -1.661 2.118 378 HG22 ILE 47 2HG2 ILE 47 0.287 -1.917 2.868 379 HG23 ILE 47 3HG2 ILE 47 0.486 -0.667 1.641 380 HD11 ILE 47 3HD1 ILE 47 1.103 -0.718 -1.538 381 HD12 ILE 47 1HD1 ILE 47 1.102 -0.320 0.181 382 HD13 ILE 47 2HD1 ILE 47 -0.278 0.118 -0.827 383 H GLU 48 H GLU 48 1.456 -3.041 -2.030 384 HA GLU 48 HA GLU 48 -0.103 -5.191 -2.842 385 HB2 GLU 48 2HB GLU 48 1.873 -3.462 -4.305 386 HB3 GLU 48 1HB GLU 48 1.019 -4.762 -5.126 387 HG2 GLU 48 2HG GLU 48 -1.114 -3.736 -4.552 388 HG3 GLU 48 1HG GLU 48 -0.268 -2.439 -3.709 389 H GLN 49 H GLN 49 3.347 -4.917 -2.428 390 HA GLN 49 HA GLN 49 4.101 -7.322 -3.681 391 HB2 GLN 49 2HB GLN 49 5.407 -5.673 -1.520 392 HB3 GLN 49 1HB GLN 49 6.155 -7.113 -2.198 393 HG2 GLN 49 2HG GLN 49 5.968 -4.421 -3.272 394 HG3 GLN 49 1HG GLN 49 7.085 -5.728 -3.666 395 HE21 GLN 49 1HE2 GLN 49 4.853 -3.761 -4.946 396 HE22 GLN 49 2HE2 GLN 49 4.285 -4.739 -6.253 397 H GLU 50 H GLU 50 3.521 -6.576 -0.243 398 HA GLU 50 HA GLU 50 3.455 -9.426 0.312 399 HB2 GLU 50 2HB GLU 50 3.806 -8.905 2.603 400 HB3 GLU 50 1HB GLU 50 4.909 -7.893 1.680 401 HG2 GLU 50 2HG GLU 50 3.639 -5.967 2.057 402 HG3 GLU 50 1HG GLU 50 2.229 -6.892 2.571 403 H PHE 51 H PHE 51 1.267 -8.217 -1.067 404 HA PHE 51 HA PHE 51 -0.843 -8.745 0.862 405 HB2 PHE 51 2HB PHE 51 -0.578 -6.380 -0.943 406 HB3 PHE 51 1HB PHE 51 -2.181 -6.981 -0.538 407 HD1 PHE 51 1HD PHE 51 0.973 -6.473 1.397 408 HD2 PHE 51 2HD PHE 51 -3.192 -5.678 1.041 409 HE1 PHE 51 1HE PHE 51 1.039 -5.209 3.506 410 HE2 PHE 51 2HE PHE 51 -3.134 -4.412 3.150 411 HZ PHE 51 HZ PHE 51 -1.017 -4.176 4.386 412 H ILE 52 H ILE 52 0.398 -9.076 -2.338 413 HA ILE 52 HA ILE 52 -0.201 -10.415 -4.077 414 HB ILE 52 HB ILE 52 -2.324 -11.613 -2.314 415 HG12 ILE 52 2HG1 ILE 52 -0.065 -13.252 -2.209 416 HG13 ILE 52 1HG1 ILE 52 0.541 -11.619 -1.959 417 HG21 ILE 52 1HG2 ILE 52 -2.582 -12.459 -4.461 418 HG22 ILE 52 2HG2 ILE 52 -1.566 -13.667 -3.675 419 HG23 ILE 52 3HG2 ILE 52 -0.845 -12.483 -4.764 420 HD11 ILE 52 3HD1 ILE 52 -1.450 -13.138 -0.323 421 HD12 ILE 52 1HD1 ILE 52 -1.284 -11.385 -0.207 422 HD13 ILE 52 2HD1 ILE 52 0.085 -12.429 0.178 423 H LEU 53 H LEU 53 -1.388 -7.845 -3.759 424 HA LEU 53 HA LEU 53 -3.451 -8.024 -5.690 425 HB2 LEU 53 2HB LEU 53 -4.314 -8.298 -3.047 426 HB3 LEU 53 1HB LEU 53 -4.665 -6.630 -3.462 427 HG LEU 53 HG LEU 53 -6.387 -8.621 -3.905 428 HD11 LEU 53 1HD1 LEU 53 -6.276 -5.987 -4.487 429 HD12 LEU 53 2HD1 LEU 53 -7.616 -7.044 -4.932 430 HD13 LEU 53 3HD1 LEU 53 -6.355 -6.676 -6.109 431 HD21 LEU 53 3HD2 LEU 53 -4.469 -9.443 -5.582 432 HD22 LEU 53 1HD2 LEU 53 -5.367 -8.382 -6.667 433 HD23 LEU 53 2HD2 LEU 53 -6.185 -9.725 -5.869 434 H ASP 54 H ASP 54 -3.683 -6.111 -6.764 435 HA ASP 54 HA ASP 54 -1.826 -4.035 -6.115 436 HB2 ASP 54 2HB ASP 54 -3.888 -4.102 -8.322 437 HB3 ASP 54 1HB ASP 54 -2.498 -3.026 -8.218 438 H ILE 55 H ILE 55 -2.259 -1.948 -5.487 439 HA ILE 55 HA ILE 55 -4.951 -1.480 -4.452 440 HB ILE 55 HB ILE 55 -2.460 -1.228 -3.208 441 HG12 ILE 55 2HG1 ILE 55 -4.919 -1.614 -2.374 442 HG13 ILE 55 1HG1 ILE 55 -3.728 -0.891 -1.299 443 HG21 ILE 55 1HG2 ILE 55 -3.625 1.444 -3.935 444 HG22 ILE 55 2HG2 ILE 55 -1.967 0.876 -4.127 445 HG23 ILE 55 3HG2 ILE 55 -2.601 1.218 -2.518 446 HD11 ILE 55 3HD1 ILE 55 -6.215 0.170 -2.246 447 HD12 ILE 55 1HD1 ILE 55 -4.883 1.244 -2.674 448 HD13 ILE 55 2HD1 ILE 55 -5.137 0.783 -0.991 449 HA PRO 56 HA PRO 56 -3.255 2.634 -6.704 450 HB2 PRO 56 2HB PRO 56 -2.085 1.069 -8.959 451 HB3 PRO 56 1HB PRO 56 -1.556 2.606 -8.260 452 HG2 PRO 56 2HG PRO 56 -0.244 0.357 -7.720 453 HG3 PRO 56 1HG PRO 56 -0.507 1.580 -6.461 454 HD2 PRO 56 2HD PRO 56 -1.871 -1.041 -6.878 455 HD3 PRO 56 1HD PRO 56 -1.448 -0.215 -5.364 456 H ASP 57 H ASP 57 -3.522 2.872 -9.478 457 HA ASP 57 HA ASP 57 -5.056 2.903 -11.160 458 HB2 ASP 57 2HB ASP 57 -6.158 0.407 -9.849 459 HB3 ASP 57 1HB ASP 57 -6.538 0.976 -11.471 460 H HIS 58 H HIS 58 -7.813 2.156 -11.066 461 HA HIS 58 HA HIS 58 -8.930 4.477 -9.960 462 HB2 HIS 58 2HB HIS 58 -10.083 1.912 -11.006 463 HB3 HIS 58 1HB HIS 58 -11.130 3.107 -10.248 464 HD1 HIS 58 1HD HIS 58 -11.983 2.826 -12.939 465 HD2 HIS 58 2HD HIS 58 -8.620 5.119 -12.104 466 HE1 HIS 58 1HE HIS 58 -11.684 4.331 -14.931 467 HE2 HIS 58 2HE HIS 58 -9.593 5.648 -14.441 468 H ASP 59 H ASP 59 -8.136 1.459 -8.538 469 HA ASP 59 HA ASP 59 -9.994 1.485 -6.402 470 HB2 ASP 59 2HB ASP 59 -7.367 0.190 -5.968 471 HB3 ASP 59 1HB ASP 59 -8.991 -0.445 -5.724 472 H ALA 60 H ALA 60 -6.632 2.571 -6.701 473 HA ALA 60 HA ALA 60 -6.467 3.475 -4.002 474 HB1 ALA 60 1HB ALA 60 -4.677 4.282 -6.281 475 HB2 ALA 60 2HB ALA 60 -4.517 2.757 -5.408 476 HB3 ALA 60 3HB ALA 60 -4.303 4.287 -4.558 477 H GLU 61 H GLU 61 -7.521 4.844 -6.988 478 HA GLU 61 HA GLU 61 -7.378 7.572 -6.093 479 HB2 GLU 61 2HB GLU 61 -8.815 6.430 -8.492 480 HB3 GLU 61 1HB GLU 61 -8.440 8.124 -8.210 481 HG2 GLU 61 2HG GLU 61 -6.252 6.094 -8.327 482 HG3 GLU 61 1HG GLU 61 -6.960 6.737 -9.808 483 H LYS 62 H LYS 62 -9.822 5.064 -6.362 484 HA LYS 62 HA LYS 62 -12.022 6.766 -5.735 485 HB2 LYS 62 2HB LYS 62 -11.716 3.764 -5.720 486 HB3 LYS 62 1HB LYS 62 -13.233 4.585 -5.381 487 HG2 LYS 62 2HG LYS 62 -12.255 5.651 -7.797 488 HG3 LYS 62 1HG LYS 62 -12.084 3.897 -7.895 489 HD2 LYS 62 2HD LYS 62 -14.328 3.541 -7.849 490 HD3 LYS 62 1HD LYS 62 -14.635 4.933 -6.808 491 HE2 LYS 62 2HE LYS 62 -13.635 5.608 -9.479 492 HE3 LYS 62 1HE LYS 62 -15.206 4.810 -9.472 493 HZ1 LYS 62 3HZ LYS 62 -15.470 7.191 -9.346 494 HZ2 LYS 62 1HZ LYS 62 -14.488 7.271 -7.970 495 HZ3 LYS 62 2HZ LYS 62 -15.987 6.490 -7.896 496 H ILE 63 H ILE 63 -9.532 6.255 -3.883 497 HA ILE 63 HA ILE 63 -11.034 5.698 -1.437 498 HB ILE 63 HB ILE 63 -8.571 4.719 -2.302 499 HG12 ILE 63 2HG1 ILE 63 -8.923 4.456 0.559 500 HG13 ILE 63 1HG1 ILE 63 -10.458 4.262 -0.280 501 HG21 ILE 63 1HG2 ILE 63 -8.230 6.828 -0.190 502 HG22 ILE 63 2HG2 ILE 63 -7.349 6.640 -1.706 503 HG23 ILE 63 3HG2 ILE 63 -7.094 5.494 -0.390 504 HD11 ILE 63 3HD1 ILE 63 -9.604 2.109 -0.152 505 HD12 ILE 63 1HD1 ILE 63 -7.963 2.634 -0.529 506 HD13 ILE 63 2HD1 ILE 63 -9.196 2.622 -1.790 507 H GLN 64 H GLN 64 -11.534 7.357 -0.167 508 HA GLN 64 HA GLN 64 -9.918 9.777 -0.334 509 HB2 GLN 64 2HB GLN 64 -12.868 9.553 0.250 510 HB3 GLN 64 1HB GLN 64 -11.946 11.051 0.247 511 HG2 GLN 64 2HG GLN 64 -12.647 11.233 -1.862 512 HG3 GLN 64 1HG GLN 64 -11.372 10.069 -2.218 513 HE21 GLN 64 1HE2 GLN 64 -12.008 7.769 -2.121 514 HE22 GLN 64 2HE2 GLN 64 -13.586 7.340 -2.678 515 H SER 65 H SER 65 -11.549 7.503 1.735 516 HA SER 65 HA SER 65 -10.732 8.964 4.131 517 HB2 SER 65 2HB SER 65 -12.280 6.372 4.027 518 HB3 SER 65 1HB SER 65 -12.182 7.522 5.360 519 HG SER 65 HG SER 65 -13.723 8.640 4.476 520 H ILE 66 H ILE 66 -9.321 8.147 5.655 521 HA ILE 66 HA ILE 66 -7.209 6.540 4.718 522 HB ILE 66 HB ILE 66 -7.790 7.039 7.628 523 HG12 ILE 66 2HG1 ILE 66 -7.886 9.092 5.960 524 HG13 ILE 66 1HG1 ILE 66 -7.053 9.220 7.507 525 HG21 ILE 66 1HG2 ILE 66 -5.236 6.694 6.064 526 HG22 ILE 66 2HG2 ILE 66 -5.958 5.530 7.175 527 HG23 ILE 66 3HG2 ILE 66 -5.331 7.061 7.786 528 HD11 ILE 66 3HD1 ILE 66 -5.635 10.194 5.907 529 HD12 ILE 66 1HD1 ILE 66 -5.856 8.855 4.781 530 HD13 ILE 66 2HD1 ILE 66 -4.940 8.614 6.269 531 HA PRO 67 HA PRO 67 -9.133 3.147 7.641 532 HB2 PRO 67 2HB PRO 67 -11.821 3.374 8.039 533 HB3 PRO 67 1HB PRO 67 -10.614 4.041 9.143 534 HG2 PRO 67 2HG PRO 67 -12.184 5.415 6.999 535 HG3 PRO 67 1HG PRO 67 -11.803 5.972 8.639 536 HD2 PRO 67 2HD PRO 67 -10.450 6.844 6.473 537 HD3 PRO 67 1HD PRO 67 -9.669 6.634 8.053 538 H ASP 68 H ASP 68 -11.133 4.561 5.091 539 HA ASP 68 HA ASP 68 -12.317 2.151 4.229 540 HB2 ASP 68 2HB ASP 68 -13.140 3.369 2.386 541 HB3 ASP 68 1HB ASP 68 -13.036 4.550 3.688 542 H ALA 69 H ALA 69 -9.250 3.624 3.622 543 HA ALA 69 HA ALA 69 -8.608 2.118 1.297 544 HB1 ALA 69 1HB ALA 69 -6.720 3.534 3.157 545 HB2 ALA 69 2HB ALA 69 -7.590 4.310 1.834 546 HB3 ALA 69 3HB ALA 69 -6.406 3.049 1.491 547 H VAL 70 H VAL 70 -7.133 2.060 4.507 548 HA VAL 70 HA VAL 70 -5.863 -0.430 4.142 549 HB VAL 70 HB VAL 70 -6.445 1.240 6.566 550 HG11 VAL 70 1HG1 VAL 70 -6.528 -0.718 7.710 551 HG12 VAL 70 2HG1 VAL 70 -4.774 -0.564 7.601 552 HG13 VAL 70 3HG1 VAL 70 -5.640 -1.607 6.472 553 HG21 VAL 70 3HG2 VAL 70 -3.972 0.443 5.049 554 HG22 VAL 70 1HG2 VAL 70 -3.915 1.211 6.636 555 HG23 VAL 70 2HG2 VAL 70 -4.643 2.059 5.272 556 H GLU 71 H GLU 71 -9.088 0.376 4.838 557 HA GLU 71 HA GLU 71 -9.808 -1.897 6.372 558 HB2 GLU 71 2HB GLU 71 -11.253 0.269 4.944 559 HB3 GLU 71 1HB GLU 71 -12.152 -1.203 5.281 560 HG2 GLU 71 2HG GLU 71 -10.615 0.092 7.476 561 HG3 GLU 71 1HG GLU 71 -12.154 0.786 6.970 562 H TYR 72 H TYR 72 -10.008 -1.112 2.920 563 HA TYR 72 HA TYR 72 -11.225 -3.539 2.152 564 HB2 TYR 72 2HB TYR 72 -11.376 -2.506 0.175 565 HB3 TYR 72 1HB TYR 72 -10.522 -1.144 0.892 566 HD1 TYR 72 1HD TYR 72 -8.123 -0.846 0.518 567 HD2 TYR 72 2HD TYR 72 -10.256 -4.038 -1.314 568 HE1 TYR 72 1HE TYR 72 -6.251 -1.195 -1.039 569 HE2 TYR 72 2HE TYR 72 -8.391 -4.396 -2.876 570 HH TYR 72 HH TYR 72 -5.704 -3.825 -2.697 571 H ILE 73 H ILE 73 -7.873 -2.434 2.036 572 HA ILE 73 HA ILE 73 -6.836 -4.857 1.014 573 HB ILE 73 HB ILE 73 -4.640 -3.907 2.094 574 HG12 ILE 73 2HG1 ILE 73 -6.530 -2.053 3.037 575 HG13 ILE 73 1HG1 ILE 73 -4.777 -1.940 3.146 576 HG21 ILE 73 1HG2 ILE 73 -5.164 -2.035 0.037 577 HG22 ILE 73 2HG2 ILE 73 -6.009 -3.528 -0.368 578 HG23 ILE 73 3HG2 ILE 73 -4.273 -3.554 -0.060 579 HD11 ILE 73 3HD1 ILE 73 -5.822 0.067 2.190 580 HD12 ILE 73 1HD1 ILE 73 -6.424 -0.910 0.850 581 HD13 ILE 73 2HD1 ILE 73 -4.687 -0.707 1.083 582 H ALA 74 H ALA 74 -7.577 -3.733 4.200 583 HA ALA 74 HA ALA 74 -6.009 -5.539 5.679 584 HB1 ALA 74 1HB ALA 74 -8.302 -3.767 6.245 585 HB2 ALA 74 2HB ALA 74 -6.751 -3.915 7.071 586 HB3 ALA 74 3HB ALA 74 -8.027 -5.095 7.373 587 H GLN 75 H GLN 75 -9.242 -5.761 4.347 588 HA GLN 75 HA GLN 75 -9.781 -8.296 5.541 589 HB2 GLN 75 2HB GLN 75 -11.243 -6.874 3.321 590 HB3 GLN 75 1HB GLN 75 -11.839 -8.265 4.215 591 HG2 GLN 75 2HG GLN 75 -11.838 -5.438 4.921 592 HG3 GLN 75 1HG GLN 75 -12.874 -6.751 5.480 593 HE21 GLN 75 1HE2 GLN 75 -10.629 -4.548 6.418 594 HE22 GLN 75 2HE2 GLN 75 -10.055 -5.310 7.857 595 H ASN 76 H ASN 76 -9.100 -7.178 2.261 596 HA ASN 76 HA ASN 76 -9.239 -9.471 0.818 597 HB2 ASN 76 2HB ASN 76 -7.568 -7.051 0.665 598 HB3 ASN 76 1HB ASN 76 -6.887 -8.454 -0.153 599 HD21 ASN 76 1HD2 ASN 76 -9.213 -5.975 -0.249 600 HD22 ASN 76 2HD2 ASN 76 -9.968 -6.420 -1.737 601 HA PRO 77 HA PRO 77 -4.761 -11.025 1.770 602 HB2 PRO 77 2HB PRO 77 -3.455 -9.470 3.681 603 HB3 PRO 77 1HB PRO 77 -3.162 -9.422 1.941 604 HG2 PRO 77 2HG PRO 77 -4.845 -7.629 3.631 605 HG3 PRO 77 1HG PRO 77 -3.818 -7.226 2.242 606 HD2 PRO 77 2HD PRO 77 -6.479 -7.365 1.994 607 HD3 PRO 77 1HD PRO 77 -5.406 -7.945 0.703 608 H MET 78 H MET 78 -6.500 -9.385 4.402 609 HA MET 78 HA MET 78 -5.726 -10.984 6.529 610 HB2 MET 78 2HB MET 78 -6.998 -9.150 7.157 611 HB3 MET 78 1HB MET 78 -8.207 -9.431 5.910 612 HG2 MET 78 2HG MET 78 -8.612 -11.625 7.351 613 HG3 MET 78 1HG MET 78 -7.966 -10.589 8.622 614 HE1 MET 78 3HE MET 78 -12.025 -11.167 7.896 615 HE2 MET 78 1HE MET 78 -11.222 -11.106 9.464 616 HE3 MET 78 2HE MET 78 -10.563 -12.112 8.175 617 H ALA 79 H ALA 79 -7.611 -11.811 3.806 618 HA ALA 79 HA ALA 79 -8.442 -14.291 5.083 619 HB1 ALA 79 1HB ALA 79 -10.044 -12.452 3.822 620 HB2 ALA 79 2HB ALA 79 -10.469 -14.128 4.168 621 HB3 ALA 79 3HB ALA 79 -9.803 -13.694 2.594 622 H LYS 80 H LYS 80 -7.471 -12.948 1.973 623 HA LYS 80 HA LYS 80 -6.948 -15.401 0.707 624 HB2 LYS 80 2HB LYS 80 -5.406 -13.867 -0.748 625 HB3 LYS 80 1HB LYS 80 -7.152 -13.659 -0.796 626 HG2 LYS 80 2HG LYS 80 -6.943 -11.549 -0.173 627 HG3 LYS 80 1HG LYS 80 -6.096 -12.038 1.295 628 HD2 LYS 80 2HD LYS 80 -4.905 -11.430 -1.404 629 HD3 LYS 80 1HD LYS 80 -4.660 -10.552 0.107 630 HE2 LYS 80 2HE LYS 80 -3.967 -13.429 0.105 631 HE3 LYS 80 1HE LYS 80 -2.927 -12.364 -0.838 632 HZ1 LYS 80 3HZ LYS 80 -2.020 -12.477 1.323 633 HZ2 LYS 80 1HZ LYS 80 -3.519 -12.211 2.062 634 HZ3 LYS 80 2HZ LYS 80 -2.759 -10.960 1.213 635 H282 PNS 101 8H2 PNS 101 7.178 11.993 -10.787 636 H281 PNS 101 9H2 PNS 101 7.175 12.093 -9.024 637 H303 PNS 101 0H3 PNS 101 5.073 15.295 -9.334 638 H302 PNS 101 1H3 PNS 101 5.726 14.261 -8.062 639 H301 PNS 101 2H3 PNS 101 4.524 13.625 -9.186 640 H313 PNS 101 3H3 PNS 101 7.555 15.335 -8.949 641 H312 PNS 101 4H3 PNS 101 8.274 14.866 -10.489 642 H311 PNS 101 5H3 PNS 101 8.392 13.791 -9.096 643 H32 PNS 101 6H3 PNS 101 7.013 13.870 -11.928 644 H33 PNS 101 7H3 PNS 101 5.612 12.799 -12.677 645 H36 PNS 101 8H3 PNS 101 6.805 16.487 -10.130 646 H372 PNS 101 9H3 PNS 101 5.227 18.240 -10.152 647 H371 PNS 101 0H4 PNS 101 4.271 16.793 -9.837 648 H382 PNS 101 1H4 PNS 101 3.410 18.335 -11.645 649 H381 PNS 101 2H4 PNS 101 4.797 17.831 -12.609 650 H41 PNS 101 3H4 PNS 101 4.162 15.151 -10.877 651 H422 PNS 101 4H4 PNS 101 1.270 15.098 -11.443 652 H421 PNS 101 5H4 PNS 101 2.200 13.721 -10.854 653 H431 PNS 101 7H4 PNS 101 1.026 14.539 -8.977 654 H432 PNS 101 6H4 PNS 101 2.683 15.132 -8.786 655 H44 PNS 101 8H4 PNS 101 0.952 17.091 -8.384 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -3.810 -8.085 7.778 2 H2 MET 1 2HT MET 1 -4.610 -9.496 8.337 3 H3 MET 1 3HT MET 1 -3.152 -8.981 9.081 4 HA MET 1 HA MET 1 -5.700 -7.508 9.070 5 HB2 MET 1 2HB MET 1 -4.987 -8.199 11.667 6 HB3 MET 1 1HB MET 1 -6.253 -8.943 10.701 7 HG2 MET 1 2HG MET 1 -4.792 -10.678 9.981 8 HG3 MET 1 1HG MET 1 -3.394 -9.869 10.688 9 HE1 MET 1 2HE MET 1 -3.888 -13.113 11.789 10 HE2 MET 1 3HE MET 1 -3.082 -12.448 13.209 11 HE3 MET 1 1HE MET 1 -2.652 -11.870 11.599 12 H ASN 2 H ASN 2 -3.172 -7.744 11.496 13 HA ASN 2 HA ASN 2 -3.004 -4.920 11.746 14 HB2 ASN 2 2HB ASN 2 -0.826 -5.852 13.113 15 HB3 ASN 2 1HB ASN 2 -2.449 -5.709 13.782 16 HD21 ASN 2 1HD2 ASN 2 -2.553 -7.413 15.100 17 HD22 ASN 2 2HD2 ASN 2 -2.332 -9.058 14.615 18 H ASP 3 H ASP 3 -1.148 -7.347 10.104 19 HA ASP 3 HA ASP 3 1.252 -6.077 9.682 20 HB2 ASP 3 2HB ASP 3 0.882 -7.333 7.287 21 HB3 ASP 3 1HB ASP 3 1.441 -8.122 8.759 22 H VAL 4 H VAL 4 -1.820 -5.418 8.172 23 HA VAL 4 HA VAL 4 -0.793 -3.907 6.000 24 HB VAL 4 HB VAL 4 -3.080 -3.109 5.672 25 HG11 VAL 4 1HG1 VAL 4 -2.319 -5.385 4.935 26 HG12 VAL 4 2HG1 VAL 4 -4.063 -5.203 5.132 27 HG13 VAL 4 3HG1 VAL 4 -3.118 -6.037 6.365 28 HG21 VAL 4 3HG2 VAL 4 -4.756 -4.327 7.336 29 HG22 VAL 4 1HG2 VAL 4 -4.111 -2.717 7.660 30 HG23 VAL 4 2HG2 VAL 4 -3.394 -4.128 8.438 31 H LEU 5 H LEU 5 -2.443 -2.817 8.990 32 HA LEU 5 HA LEU 5 -1.901 -0.093 8.479 33 HB2 LEU 5 2HB LEU 5 -2.634 0.310 10.796 34 HB3 LEU 5 1HB LEU 5 -3.768 -0.635 9.861 35 HG LEU 5 HG LEU 5 -3.502 -1.378 12.217 36 HD11 LEU 5 1HD1 LEU 5 -3.928 -2.822 10.003 37 HD12 LEU 5 2HD1 LEU 5 -3.976 -3.492 11.634 38 HD13 LEU 5 3HD1 LEU 5 -2.523 -3.665 10.650 39 HD21 LEU 5 3HD2 LEU 5 -1.547 -1.982 13.131 40 HD22 LEU 5 1HD2 LEU 5 -0.837 -1.020 11.837 41 HD23 LEU 5 2HD2 LEU 5 -0.982 -2.767 11.659 42 H THR 6 H THR 6 -0.196 -2.565 10.236 43 HA THR 6 HA THR 6 1.583 -0.929 11.653 44 HB THR 6 HB THR 6 1.487 -3.153 12.361 45 HG1 THR 6 1HG THR 6 3.609 -2.573 12.450 46 HG21 THR 6 3HG2 THR 6 2.531 -4.602 10.115 47 HG22 THR 6 1HG2 THR 6 1.030 -3.777 9.693 48 HG23 THR 6 2HG2 THR 6 1.071 -4.889 11.063 49 H ARG 7 H ARG 7 2.157 -2.693 8.633 50 HA ARG 7 HA ARG 7 4.629 -1.355 8.159 51 HB2 ARG 7 2HB ARG 7 4.656 -3.493 7.283 52 HB3 ARG 7 1HB ARG 7 2.997 -3.390 6.709 53 HG2 ARG 7 2HG ARG 7 4.451 -1.445 5.294 54 HG3 ARG 7 1HG ARG 7 5.431 -2.913 5.295 55 HD2 ARG 7 2HD ARG 7 2.892 -2.337 3.952 56 HD3 ARG 7 1HD ARG 7 4.157 -3.493 3.539 57 HE ARG 7 HE ARG 7 1.744 -4.150 4.700 58 HH11 ARG 7 1HH1 ARG 7 5.120 -4.628 5.407 59 HH12 ARG 7 2HH1 ARG 7 4.867 -6.129 6.235 60 HH21 ARG 7 1HH2 ARG 7 1.400 -6.125 5.789 61 HH22 ARG 7 2HH2 ARG 7 2.752 -6.979 6.451 62 H VAL 8 H VAL 8 1.390 -1.241 6.754 63 HA VAL 8 HA VAL 8 1.953 0.622 4.743 64 HB VAL 8 HB VAL 8 -0.182 -0.849 5.172 65 HG11 VAL 8 1HG1 VAL 8 -2.051 0.377 6.085 66 HG12 VAL 8 2HG1 VAL 8 -1.031 1.787 6.368 67 HG13 VAL 8 3HG1 VAL 8 -0.759 0.303 7.282 68 HG21 VAL 8 3HG2 VAL 8 -0.901 1.796 4.053 69 HG22 VAL 8 1HG2 VAL 8 -1.102 0.182 3.372 70 HG23 VAL 8 2HG2 VAL 8 0.476 0.967 3.328 71 H LEU 9 H LEU 9 0.583 1.096 7.996 72 HA LEU 9 HA LEU 9 0.305 3.879 7.856 73 HB2 LEU 9 2HB LEU 9 -0.114 3.831 10.131 74 HB3 LEU 9 1HB LEU 9 -0.533 2.203 9.640 75 HG LEU 9 HG LEU 9 1.846 1.562 10.358 76 HD11 LEU 9 1HD1 LEU 9 1.789 4.392 11.034 77 HD12 LEU 9 2HD1 LEU 9 3.157 3.289 10.878 78 HD13 LEU 9 3HD1 LEU 9 2.253 3.363 12.391 79 HD21 LEU 9 3HD2 LEU 9 1.125 1.589 12.810 80 HD22 LEU 9 1HD2 LEU 9 0.076 0.759 11.660 81 HD23 LEU 9 2HD2 LEU 9 -0.349 2.370 12.238 82 H GLU 10 H GLU 10 3.010 1.888 8.987 83 HA GLU 10 HA GLU 10 4.664 4.023 9.780 84 HB2 GLU 10 2HB GLU 10 6.461 2.395 9.823 85 HB3 GLU 10 1HB GLU 10 5.002 1.682 10.499 86 HG2 GLU 10 2HG GLU 10 4.724 0.242 8.748 87 HG3 GLU 10 1HG GLU 10 5.565 1.290 7.608 88 H VAL 11 H VAL 11 4.120 2.414 6.753 89 HA VAL 11 HA VAL 11 6.314 3.300 5.301 90 HB VAL 11 HB VAL 11 3.664 2.275 4.652 91 HG11 VAL 11 1HG1 VAL 11 3.836 4.352 3.275 92 HG12 VAL 11 2HG1 VAL 11 3.689 2.862 2.341 93 HG13 VAL 11 3HG1 VAL 11 5.260 3.649 2.508 94 HG21 VAL 11 3HG2 VAL 11 5.411 1.187 2.892 95 HG22 VAL 11 1HG2 VAL 11 5.088 0.549 4.505 96 HG23 VAL 11 2HG2 VAL 11 6.480 1.598 4.233 97 H VAL 12 H VAL 12 3.074 4.697 5.424 98 HA VAL 12 HA VAL 12 3.741 7.007 3.921 99 HB VAL 12 HB VAL 12 1.560 7.565 4.067 100 HG11 VAL 12 1HG1 VAL 12 1.041 4.969 5.451 101 HG12 VAL 12 2HG1 VAL 12 1.784 4.981 3.851 102 HG13 VAL 12 3HG1 VAL 12 0.195 5.705 4.091 103 HG21 VAL 12 3HG2 VAL 12 0.225 7.431 6.165 104 HG22 VAL 12 1HG2 VAL 12 1.666 8.438 6.300 105 HG23 VAL 12 2HG2 VAL 12 1.658 6.813 6.985 106 H LYS 13 H LYS 13 3.322 6.443 7.406 107 HA LYS 13 HA LYS 13 3.706 9.029 8.315 108 HB2 LYS 13 2HB LYS 13 4.071 8.118 10.436 109 HB3 LYS 13 1HB LYS 13 3.105 6.892 9.627 110 HG2 LYS 13 2HG LYS 13 5.145 5.621 9.137 111 HG3 LYS 13 1HG LYS 13 6.093 6.840 10.002 112 HD2 LYS 13 2HD LYS 13 3.965 5.029 11.139 113 HD3 LYS 13 1HD LYS 13 5.696 4.988 11.480 114 HE2 LYS 13 2HE LYS 13 4.683 7.615 11.995 115 HE3 LYS 13 1HE LYS 13 3.689 6.427 12.839 116 HZ1 LYS 13 3HZ LYS 13 5.514 7.121 14.225 117 HZ2 LYS 13 1HZ LYS 13 6.640 6.699 13.035 118 HZ3 LYS 13 2HZ LYS 13 5.726 5.497 13.799 119 H ASN 14 H ASN 14 6.155 6.513 7.754 120 HA ASN 14 HA ASN 14 8.295 8.355 8.278 121 HB2 ASN 14 2HB ASN 14 8.503 5.557 7.168 122 HB3 ASN 14 1HB ASN 14 9.773 6.490 7.955 123 HD21 ASN 14 1HD2 ASN 14 7.617 4.069 8.382 124 HD22 ASN 14 2HD2 ASN 14 7.471 4.103 10.104 125 H PHE 15 H PHE 15 6.309 7.867 5.712 126 HA PHE 15 HA PHE 15 8.101 7.862 3.530 127 HB2 PHE 15 2HB PHE 15 5.232 8.095 3.934 128 HB3 PHE 15 1HB PHE 15 5.796 9.153 2.647 129 HD1 PHE 15 2HD PHE 15 7.523 6.024 3.388 130 HD2 PHE 15 1HD PHE 15 4.591 7.917 0.953 131 HE1 PHE 15 2HE PHE 15 7.576 4.110 1.843 132 HE2 PHE 15 1HE PHE 15 4.638 6.006 -0.596 133 HZ PHE 15 HZ PHE 15 6.133 4.100 -0.152 134 H GLU 16 H GLU 16 6.939 10.308 5.653 135 HA GLU 16 HA GLU 16 8.205 12.324 5.927 136 HB2 GLU 16 2HB GLU 16 9.345 13.350 4.176 137 HB3 GLU 16 1HB GLU 16 9.513 11.642 3.801 138 HG2 GLU 16 2HG GLU 16 8.634 11.997 1.813 139 HG3 GLU 16 1HG GLU 16 7.145 12.556 2.571 140 H LYS 17 H LYS 17 5.462 11.414 4.205 141 HA LYS 17 HA LYS 17 4.402 13.932 3.501 142 HB2 LYS 17 2HB LYS 17 3.548 11.191 3.451 143 HB3 LYS 17 1HB LYS 17 2.258 12.199 4.091 144 HG2 LYS 17 2HG LYS 17 1.951 12.035 1.743 145 HG3 LYS 17 1HG LYS 17 2.518 13.670 2.092 146 HD2 LYS 17 2HD LYS 17 4.515 11.558 1.426 147 HD3 LYS 17 1HD LYS 17 3.558 12.270 0.125 148 HE2 LYS 17 2HE LYS 17 5.367 13.706 2.060 149 HE3 LYS 17 1HE LYS 17 5.611 13.496 0.327 150 HZ1 LYS 17 3HZ LYS 17 4.759 15.602 0.412 151 HZ2 LYS 17 1HZ LYS 17 3.758 15.283 1.739 152 HZ3 LYS 17 2HZ LYS 17 3.332 14.719 0.202 153 H VAL 18 H VAL 18 3.863 11.854 6.342 154 HA VAL 18 HA VAL 18 3.739 13.904 8.204 155 HB VAL 18 HB VAL 18 1.008 13.332 8.379 156 HG11 VAL 18 1HG1 VAL 18 1.701 15.409 9.111 157 HG12 VAL 18 2HG1 VAL 18 0.890 15.814 7.598 158 HG13 VAL 18 3HG1 VAL 18 2.650 15.722 7.658 159 HG21 VAL 18 3HG2 VAL 18 0.051 13.377 6.347 160 HG22 VAL 18 1HG2 VAL 18 1.631 12.835 5.779 161 HG23 VAL 18 2HG2 VAL 18 1.211 14.547 5.716 162 H ASP 19 H ASP 19 2.774 13.194 10.305 163 HA ASP 19 HA ASP 19 3.584 10.558 10.901 164 HB2 ASP 19 2HB ASP 19 2.106 11.237 13.072 165 HB3 ASP 19 1HB ASP 19 3.769 11.760 12.814 166 H ALA 20 H ALA 20 2.511 8.861 10.093 167 HA ALA 20 HA ALA 20 -0.183 8.779 9.378 168 HB1 ALA 20 1HB ALA 20 1.396 6.371 10.240 169 HB2 ALA 20 2HB ALA 20 1.657 7.181 8.694 170 HB3 ALA 20 3HB ALA 20 0.090 6.456 9.058 171 H SER 21 H SER 21 1.261 8.631 12.467 172 HA SER 21 HA SER 21 -0.668 7.081 13.826 173 HB2 SER 21 2HB SER 21 1.528 8.920 14.594 174 HB3 SER 21 1HB SER 21 0.263 8.668 15.796 175 HG SER 21 HG SER 21 1.115 6.356 14.598 176 H LYS 22 H LYS 22 -0.716 10.259 12.585 177 HA LYS 22 HA LYS 22 -2.735 11.263 14.367 178 HB2 LYS 22 2HB LYS 22 -2.761 13.221 12.870 179 HB3 LYS 22 1HB LYS 22 -1.134 12.813 13.399 180 HG2 LYS 22 2HG LYS 22 -0.510 12.827 11.278 181 HG3 LYS 22 1HG LYS 22 -1.523 11.406 11.014 182 HD2 LYS 22 2HD LYS 22 -2.028 13.234 9.438 183 HD3 LYS 22 1HD LYS 22 -3.410 12.815 10.451 184 HE2 LYS 22 2HE LYS 22 -2.532 14.713 11.987 185 HE3 LYS 22 1HE LYS 22 -1.649 15.233 10.552 186 HZ1 LYS 22 3HZ LYS 22 -3.959 15.032 9.434 187 HZ2 LYS 22 1HZ LYS 22 -3.605 16.397 10.371 188 HZ3 LYS 22 2HZ LYS 22 -4.553 15.152 11.013 189 H VAL 23 H VAL 23 -2.683 9.303 11.607 190 HA VAL 23 HA VAL 23 -5.004 10.007 10.247 191 HB VAL 23 HB VAL 23 -5.022 7.829 9.305 192 HG11 VAL 23 1HG1 VAL 23 -3.173 8.462 8.240 193 HG12 VAL 23 2HG1 VAL 23 -2.265 7.509 9.414 194 HG13 VAL 23 3HG1 VAL 23 -2.524 9.231 9.689 195 HG21 VAL 23 3HG2 VAL 23 -4.149 7.036 11.933 196 HG22 VAL 23 1HG2 VAL 23 -3.131 6.311 10.688 197 HG23 VAL 23 2HG2 VAL 23 -4.877 6.066 10.653 198 H THR 24 H THR 24 -7.069 9.994 10.772 199 HA THR 24 HA THR 24 -7.931 8.419 13.063 200 HB THR 24 HB THR 24 -9.595 10.665 12.171 201 HG1 THR 24 1HG THR 24 -7.456 11.506 12.032 202 HG21 THR 24 3HG2 THR 24 -10.480 10.208 14.148 203 HG22 THR 24 1HG2 THR 24 -9.044 10.946 14.857 204 HG23 THR 24 2HG2 THR 24 -9.106 9.201 14.608 205 HA PRO 25 HA PRO 25 -10.868 6.087 10.783 206 HB2 PRO 25 2HB PRO 25 -13.032 7.158 12.517 207 HB3 PRO 25 1HB PRO 25 -12.574 5.482 12.195 208 HG2 PRO 25 2HG PRO 25 -11.978 6.634 14.522 209 HG3 PRO 25 1HG PRO 25 -10.843 5.520 13.737 210 HD2 PRO 25 2HD PRO 25 -10.777 8.504 13.884 211 HD3 PRO 25 1HD PRO 25 -9.438 7.341 13.957 212 H GLU 26 H GLU 26 -11.854 9.393 11.551 213 HA GLU 26 HA GLU 26 -13.454 9.485 9.114 214 HB2 GLU 26 2HB GLU 26 -14.181 10.303 11.539 215 HB3 GLU 26 1HB GLU 26 -13.376 11.775 11.010 216 HG2 GLU 26 2HG GLU 26 -14.974 12.272 9.498 217 HG3 GLU 26 1HG GLU 26 -15.297 10.582 9.117 218 H SER 27 H SER 27 -10.384 10.125 10.095 219 HA SER 27 HA SER 27 -9.813 12.653 9.030 220 HB2 SER 27 2HB SER 27 -8.315 11.186 10.487 221 HB3 SER 27 1HB SER 27 -7.889 10.327 9.007 222 HG SER 27 HG SER 27 -7.716 13.057 8.800 223 H HIS 28 H HIS 28 -9.411 13.386 7.019 224 HA HIS 28 HA HIS 28 -10.127 11.721 4.805 225 HB2 HIS 28 2HB HIS 28 -9.391 14.615 5.106 226 HB3 HIS 28 1HB HIS 28 -9.515 13.882 3.510 227 HD1 HIS 28 1HD HIS 28 -11.952 12.698 3.052 228 HD2 HIS 28 2HD HIS 28 -11.744 15.552 6.066 229 HE1 HIS 28 1HE HIS 28 -14.326 13.420 3.458 230 HE2 HIS 28 2HE HIS 28 -14.185 15.083 5.347 231 H PHE 29 H PHE 29 -8.818 11.197 3.019 232 HA PHE 29 HA PHE 29 -6.155 10.499 3.659 233 HB2 PHE 29 2HB PHE 29 -7.806 9.417 1.963 234 HB3 PHE 29 1HB PHE 29 -7.174 10.616 0.840 235 HD1 PHE 29 2HD PHE 29 -4.487 10.124 2.824 236 HD2 PHE 29 1HD PHE 29 -6.831 7.980 -0.009 237 HE1 PHE 29 2HE PHE 29 -2.568 8.660 2.348 238 HE2 PHE 29 1HE PHE 29 -4.916 6.512 -0.488 239 HZ PHE 29 HZ PHE 29 -2.780 6.852 0.691 240 H VAL 30 H VAL 30 -5.575 11.330 0.654 241 HA VAL 30 HA VAL 30 -3.616 13.109 0.942 242 HB VAL 30 HB VAL 30 -3.878 13.840 -1.296 243 HG11 VAL 30 1HG1 VAL 30 -4.175 11.802 -2.493 244 HG12 VAL 30 2HG1 VAL 30 -5.195 11.133 -1.219 245 HG13 VAL 30 3HG1 VAL 30 -3.475 11.394 -0.925 246 HG21 VAL 30 3HG2 VAL 30 -6.164 13.249 -2.438 247 HG22 VAL 30 1HG2 VAL 30 -5.976 14.749 -1.529 248 HG23 VAL 30 2HG2 VAL 30 -6.777 13.363 -0.788 249 H LYS 31 H LYS 31 -6.992 13.849 1.173 250 HA LYS 31 HA LYS 31 -6.790 16.664 1.084 251 HB2 LYS 31 2HB LYS 31 -8.939 15.285 2.642 252 HB3 LYS 31 1HB LYS 31 -9.048 16.713 1.623 253 HG2 LYS 31 2HG LYS 31 -8.995 13.832 0.833 254 HG3 LYS 31 1HG LYS 31 -10.148 15.092 0.391 255 HD2 LYS 31 2HD LYS 31 -7.282 15.289 -0.456 256 HD3 LYS 31 1HD LYS 31 -8.416 14.285 -1.362 257 HE2 LYS 31 2HE LYS 31 -8.302 16.478 -2.363 258 HE3 LYS 31 1HE LYS 31 -9.889 16.243 -1.631 259 HZ1 LYS 31 3HZ LYS 31 -8.162 17.382 0.270 260 HZ2 LYS 31 1HZ LYS 31 -9.566 18.041 -0.405 261 HZ3 LYS 31 2HZ LYS 31 -8.070 18.297 -1.150 262 H ASP 32 H ASP 32 -7.011 14.390 3.808 263 HA ASP 32 HA ASP 32 -6.535 16.504 5.701 264 HB2 ASP 32 2HB ASP 32 -7.884 14.098 5.829 265 HB3 ASP 32 1HB ASP 32 -6.416 13.785 6.750 266 H LEU 33 H LEU 33 -4.542 15.195 3.658 267 HA LEU 33 HA LEU 33 -2.187 15.658 3.894 268 HB2 LEU 33 2HB LEU 33 -2.602 14.440 6.625 269 HB3 LEU 33 1HB LEU 33 -1.040 14.867 5.955 270 HG LEU 33 HG LEU 33 -1.264 17.026 6.501 271 HD11 LEU 33 1HD1 LEU 33 -3.204 16.990 4.680 272 HD12 LEU 33 2HD1 LEU 33 -2.880 18.396 5.693 273 HD13 LEU 33 3HD1 LEU 33 -4.187 17.290 6.113 274 HD21 LEU 33 3HD2 LEU 33 -3.746 16.687 8.030 275 HD22 LEU 33 1HD2 LEU 33 -2.153 17.235 8.552 276 HD23 LEU 33 2HD2 LEU 33 -2.483 15.510 8.388 277 H GLY 34 H GLY 34 -3.641 13.691 2.576 278 HA2 GLY 34 2HA GLY 34 -2.645 11.078 3.224 279 HA3 GLY 34 1HA GLY 34 -3.538 11.525 1.778 280 H LEU 35 H LEU 35 -1.589 9.765 1.411 281 HA LEU 35 HA LEU 35 0.983 10.828 0.946 282 HB2 LEU 35 2HB LEU 35 -0.455 8.367 0.013 283 HB3 LEU 35 1HB LEU 35 1.135 8.762 -0.612 284 HG LEU 35 HG LEU 35 1.766 7.407 1.100 285 HD11 LEU 35 1HD1 LEU 35 2.564 8.669 2.947 286 HD12 LEU 35 2HD1 LEU 35 1.323 9.903 2.724 287 HD13 LEU 35 3HD1 LEU 35 2.616 9.726 1.536 288 HD21 LEU 35 3HD2 LEU 35 0.324 6.572 2.576 289 HD22 LEU 35 1HD2 LEU 35 -0.897 7.602 1.832 290 HD23 LEU 35 2HD2 LEU 35 -0.018 8.162 3.254 291 H ASN 36 H ASN 36 1.774 11.998 -0.683 292 HA ASN 36 HA ASN 36 0.105 13.108 -2.658 293 HB2 ASN 36 2HB ASN 36 2.271 14.070 -1.703 294 HB3 ASN 36 1HB ASN 36 3.116 12.995 -2.811 295 HD21 ASN 36 1HD2 ASN 36 3.318 13.554 -4.894 296 HD22 ASN 36 2HD2 ASN 36 2.663 14.992 -5.592 297 H SER 37 H SER 37 1.189 13.067 -5.065 298 HA SER 37 HA SER 37 0.376 10.683 -6.218 299 HB2 SER 37 2HB SER 37 1.064 13.097 -7.208 300 HB3 SER 37 1HB SER 37 2.497 12.171 -7.654 301 H LEU 38 H LEU 38 3.709 11.818 -5.937 302 HA LEU 38 HA LEU 38 4.962 9.444 -6.665 303 HB2 LEU 38 2HB LEU 38 6.937 10.441 -6.040 304 HB3 LEU 38 1HB LEU 38 5.904 11.842 -6.256 305 HG LEU 38 HG LEU 38 7.243 12.094 -4.254 306 HD11 LEU 38 1HD1 LEU 38 4.476 12.353 -4.401 307 HD12 LEU 38 2HD1 LEU 38 5.559 13.133 -3.248 308 HD13 LEU 38 3HD1 LEU 38 4.782 11.605 -2.833 309 HD21 LEU 38 3HD2 LEU 38 6.846 9.351 -3.960 310 HD22 LEU 38 1HD2 LEU 38 5.990 10.089 -2.606 311 HD23 LEU 38 2HD2 LEU 38 7.703 10.429 -2.858 312 H ASP 39 H ASP 39 3.671 10.507 -3.619 313 HA ASP 39 HA ASP 39 4.827 8.421 -2.047 314 HB2 ASP 39 2HB ASP 39 2.788 10.549 -1.606 315 HB3 ASP 39 1HB ASP 39 2.818 9.187 -0.491 316 H VAL 40 H VAL 40 1.376 9.011 -2.322 317 HA VAL 40 HA VAL 40 0.250 6.726 -1.715 318 HB VAL 40 HB VAL 40 -0.587 8.811 -3.313 319 HG11 VAL 40 1HG1 VAL 40 0.184 7.215 -5.225 320 HG12 VAL 40 2HG1 VAL 40 -1.356 8.065 -5.356 321 HG13 VAL 40 3HG1 VAL 40 -1.322 6.371 -4.869 322 HG21 VAL 40 3HG2 VAL 40 -1.726 6.599 -1.857 323 HG22 VAL 40 1HG2 VAL 40 -2.701 6.992 -3.274 324 HG23 VAL 40 2HG2 VAL 40 -2.344 8.238 -2.077 325 H VAL 41 H VAL 41 2.098 7.165 -4.687 326 HA VAL 41 HA VAL 41 1.541 4.596 -5.751 327 HB VAL 41 HB VAL 41 2.260 6.088 -7.377 328 HG11 VAL 41 1HG1 VAL 41 3.495 7.885 -6.942 329 HG12 VAL 41 2HG1 VAL 41 4.871 6.891 -6.467 330 HG13 VAL 41 3HG1 VAL 41 3.640 7.316 -5.280 331 HG21 VAL 41 3HG2 VAL 41 4.966 4.977 -7.066 332 HG22 VAL 41 1HG2 VAL 41 3.841 4.871 -8.421 333 HG23 VAL 41 2HG2 VAL 41 3.655 3.798 -7.034 334 H GLU 42 H GLU 42 4.246 5.931 -3.882 335 HA GLU 42 HA GLU 42 5.796 3.573 -3.900 336 HB2 GLU 42 2HB GLU 42 5.815 6.126 -2.386 337 HB3 GLU 42 1HB GLU 42 6.680 4.770 -1.675 338 HG2 GLU 42 2HG GLU 42 7.638 4.624 -4.162 339 HG3 GLU 42 1HG GLU 42 7.285 6.350 -4.091 340 H VAL 43 H VAL 43 3.456 4.882 -1.648 341 HA VAL 43 HA VAL 43 3.716 2.872 0.318 342 HB VAL 43 HB VAL 43 2.526 4.429 1.387 343 HG11 VAL 43 1HG1 VAL 43 1.133 6.138 0.077 344 HG12 VAL 43 2HG1 VAL 43 1.850 5.410 -1.359 345 HG13 VAL 43 3HG1 VAL 43 2.882 6.156 -0.139 346 HG21 VAL 43 3HG2 VAL 43 0.812 2.698 1.145 347 HG22 VAL 43 1HG2 VAL 43 0.240 3.506 -0.307 348 HG23 VAL 43 2HG2 VAL 43 0.115 4.317 1.247 349 H VAL 44 H VAL 44 1.365 3.388 -2.261 350 HA VAL 44 HA VAL 44 -0.189 1.101 -1.844 351 HB VAL 44 HB VAL 44 -0.824 1.301 -4.243 352 HG11 VAL 44 1HG1 VAL 44 -1.221 3.174 -2.156 353 HG12 VAL 44 2HG1 VAL 44 -2.301 2.770 -3.490 354 HG13 VAL 44 3HG1 VAL 44 -1.116 4.064 -3.675 355 HG21 VAL 44 3HG2 VAL 44 0.100 3.440 -5.361 356 HG22 VAL 44 1HG2 VAL 44 1.085 1.977 -5.381 357 HG23 VAL 44 2HG2 VAL 44 1.437 3.262 -4.225 358 H PHE 45 H PHE 45 2.849 1.609 -3.477 359 HA PHE 45 HA PHE 45 2.973 -0.949 -4.720 360 HB2 PHE 45 2HB PHE 45 4.536 1.451 -4.671 361 HB3 PHE 45 1HB PHE 45 5.587 0.078 -4.335 362 HD1 PHE 45 1HD PHE 45 5.408 -1.922 -5.932 363 HD2 PHE 45 2HD PHE 45 3.985 1.979 -6.855 364 HE1 PHE 45 1HE PHE 45 5.491 -2.467 -8.332 365 HE2 PHE 45 2HE PHE 45 4.064 1.445 -9.258 366 HZ PHE 45 HZ PHE 45 4.818 -0.781 -9.998 367 H ALA 46 H ALA 46 3.940 0.417 -1.688 368 HA ALA 46 HA ALA 46 5.618 -1.666 -0.802 369 HB1 ALA 46 1HB ALA 46 4.159 0.544 0.580 370 HB2 ALA 46 2HB ALA 46 5.895 0.326 0.356 371 HB3 ALA 46 3HB ALA 46 5.020 -0.687 1.504 372 H ILE 47 H ILE 47 2.298 -0.863 0.096 373 HA ILE 47 HA ILE 47 1.748 -3.110 1.634 374 HB ILE 47 HB ILE 47 -0.695 -2.659 0.642 375 HG12 ILE 47 2HG1 ILE 47 0.827 -0.833 -0.803 376 HG13 ILE 47 1HG1 ILE 47 -0.925 -0.818 -0.620 377 HG21 ILE 47 1HG2 ILE 47 0.470 -0.575 2.444 378 HG22 ILE 47 2HG2 ILE 47 0.369 -2.256 2.966 379 HG23 ILE 47 3HG2 ILE 47 -1.098 -1.379 2.530 380 HD11 ILE 47 3HD1 ILE 47 -0.824 0.758 1.123 381 HD12 ILE 47 1HD1 ILE 47 0.280 1.337 -0.124 382 HD13 ILE 47 2HD1 ILE 47 0.915 0.545 1.318 383 H GLU 48 H GLU 48 1.520 -2.635 -1.857 384 HA GLU 48 HA GLU 48 0.162 -4.955 -2.551 385 HB2 GLU 48 2HB GLU 48 1.469 -2.903 -3.915 386 HB3 GLU 48 1HB GLU 48 2.308 -4.365 -4.416 387 HG2 GLU 48 2HG GLU 48 -0.672 -4.293 -4.452 388 HG3 GLU 48 1HG GLU 48 0.239 -3.506 -5.740 389 H GLN 49 H GLN 49 3.510 -4.435 -1.741 390 HA GLN 49 HA GLN 49 4.466 -6.988 -2.501 391 HB2 GLN 49 2HB GLN 49 5.521 -4.618 -1.253 392 HB3 GLN 49 1HB GLN 49 6.052 -6.042 -0.372 393 HG2 GLN 49 2HG GLN 49 7.710 -6.022 -1.881 394 HG3 GLN 49 1HG GLN 49 6.526 -6.858 -2.884 395 HE21 GLN 49 1HE2 GLN 49 5.889 -5.947 -4.735 396 HE22 GLN 49 2HE2 GLN 49 6.340 -4.368 -5.269 397 H GLU 50 H GLU 50 3.206 -5.661 0.522 398 HA GLU 50 HA GLU 50 3.342 -8.315 1.707 399 HB2 GLU 50 2HB GLU 50 4.142 -5.922 2.747 400 HB3 GLU 50 1HB GLU 50 2.533 -6.087 3.436 401 HG2 GLU 50 2HG GLU 50 4.700 -7.054 4.615 402 HG3 GLU 50 1HG GLU 50 3.120 -7.824 4.754 403 H PHE 51 H PHE 51 1.335 -7.669 -0.220 404 HA PHE 51 HA PHE 51 -1.023 -8.070 1.427 405 HB2 PHE 51 2HB PHE 51 -0.543 -5.867 -0.431 406 HB3 PHE 51 1HB PHE 51 -2.052 -6.717 -0.735 407 HD1 PHE 51 2HD PHE 51 -3.746 -6.894 1.082 408 HD2 PHE 51 1HD PHE 51 -0.301 -4.417 1.413 409 HE1 PHE 51 2HE PHE 51 -4.821 -5.647 2.910 410 HE2 PHE 51 1HE PHE 51 -1.369 -3.167 3.242 411 HZ PHE 51 HZ PHE 51 -3.634 -3.782 3.993 412 H ILE 52 H ILE 52 0.726 -8.724 -1.492 413 HA ILE 52 HA ILE 52 0.535 -10.378 -3.043 414 HB ILE 52 HB ILE 52 -1.728 -11.753 -1.745 415 HG12 ILE 52 2HG1 ILE 52 0.588 -12.442 -0.238 416 HG13 ILE 52 1HG1 ILE 52 0.375 -10.697 -0.144 417 HG21 ILE 52 1HG2 ILE 52 -0.851 -13.421 -2.911 418 HG22 ILE 52 2HG2 ILE 52 0.634 -13.314 -1.967 419 HG23 ILE 52 3HG2 ILE 52 0.456 -12.362 -3.440 420 HD11 ILE 52 3HD1 ILE 52 -1.455 -12.868 0.773 421 HD12 ILE 52 1HD1 ILE 52 -2.072 -11.253 0.425 422 HD13 ILE 52 2HD1 ILE 52 -0.833 -11.477 1.660 423 H LEU 53 H LEU 53 -1.043 -7.967 -3.225 424 HA LEU 53 HA LEU 53 -2.770 -8.740 -5.347 425 HB2 LEU 53 2HB LEU 53 -4.025 -8.970 -3.011 426 HB3 LEU 53 1HB LEU 53 -4.244 -7.245 -3.243 427 HG LEU 53 HG LEU 53 -5.736 -7.515 -4.935 428 HD11 LEU 53 1HD1 LEU 53 -5.712 -9.328 -6.557 429 HD12 LEU 53 2HD1 LEU 53 -4.416 -10.126 -5.666 430 HD13 LEU 53 3HD1 LEU 53 -4.124 -8.570 -6.442 431 HD21 LEU 53 3HD2 LEU 53 -5.905 -10.220 -3.609 432 HD22 LEU 53 1HD2 LEU 53 -7.179 -9.451 -4.554 433 HD23 LEU 53 2HD2 LEU 53 -6.656 -8.733 -3.031 434 H ASP 54 H ASP 54 -3.660 -6.883 -6.493 435 HA ASP 54 HA ASP 54 -1.844 -4.673 -6.421 436 HB2 ASP 54 2HB ASP 54 -3.265 -3.855 -8.359 437 HB3 ASP 54 1HB ASP 54 -2.470 -5.410 -8.589 438 H ILE 55 H ILE 55 -2.281 -2.552 -5.910 439 HA ILE 55 HA ILE 55 -4.863 -2.031 -4.632 440 HB ILE 55 HB ILE 55 -2.124 -1.151 -3.752 441 HG12 ILE 55 2HG1 ILE 55 -2.426 -3.071 -2.577 442 HG13 ILE 55 1HG1 ILE 55 -3.408 -2.039 -1.543 443 HG21 ILE 55 1HG2 ILE 55 -4.297 0.499 -3.736 444 HG22 ILE 55 2HG2 ILE 55 -2.930 0.608 -2.626 445 HG23 ILE 55 3HG2 ILE 55 -4.393 -0.250 -2.142 446 HD11 ILE 55 3HD1 ILE 55 -4.263 -4.069 -3.549 447 HD12 ILE 55 1HD1 ILE 55 -5.340 -2.738 -3.124 448 HD13 ILE 55 2HD1 ILE 55 -4.778 -3.852 -1.877 449 HA PRO 56 HA PRO 56 -3.048 2.149 -6.565 450 HB2 PRO 56 2HB PRO 56 -1.478 0.807 -8.713 451 HB3 PRO 56 1HB PRO 56 -1.130 2.296 -7.826 452 HG2 PRO 56 2HG PRO 56 0.193 0.059 -7.269 453 HG3 PRO 56 1HG PRO 56 -0.315 1.157 -5.972 454 HD2 PRO 56 2HD PRO 56 -1.497 -1.451 -6.822 455 HD3 PRO 56 1HD PRO 56 -1.306 -0.777 -5.190 456 H ASP 57 H ASP 57 -2.941 2.588 -9.306 457 HA ASP 57 HA ASP 57 -4.209 2.662 -11.196 458 HB2 ASP 57 2HB ASP 57 -5.336 0.019 -10.246 459 HB3 ASP 57 1HB ASP 57 -5.486 0.689 -11.868 460 H HIS 58 H HIS 58 -6.925 1.614 -11.455 461 HA HIS 58 HA HIS 58 -8.356 3.823 -10.486 462 HB2 HIS 58 2HB HIS 58 -8.989 1.317 -11.898 463 HB3 HIS 58 1HB HIS 58 -10.313 1.974 -10.941 464 HD1 HIS 58 1HD HIS 58 -11.767 2.870 -12.780 465 HD2 HIS 58 2HD HIS 58 -7.834 4.178 -13.071 466 HE1 HIS 58 1HE HIS 58 -11.770 4.609 -14.596 467 HE2 HIS 58 2HE HIS 58 -9.396 5.449 -14.695 468 H ASP 59 H ASP 59 -7.591 0.764 -9.059 469 HA ASP 59 HA ASP 59 -9.639 0.663 -7.122 470 HB2 ASP 59 2HB ASP 59 -6.854 -0.513 -7.005 471 HB3 ASP 59 1HB ASP 59 -8.207 -0.970 -5.975 472 H ALA 60 H ALA 60 -6.336 1.954 -7.027 473 HA ALA 60 HA ALA 60 -6.521 2.804 -4.314 474 HB1 ALA 60 1HB ALA 60 -4.563 3.731 -6.407 475 HB2 ALA 60 2HB ALA 60 -4.382 2.258 -5.452 476 HB3 ALA 60 3HB ALA 60 -4.379 3.831 -4.655 477 H GLU 61 H GLU 61 -7.383 4.161 -7.359 478 HA GLU 61 HA GLU 61 -7.471 6.883 -6.472 479 HB2 GLU 61 2HB GLU 61 -8.137 5.414 -8.959 480 HB3 GLU 61 1HB GLU 61 -8.986 6.930 -8.690 481 HG2 GLU 61 2HG GLU 61 -6.498 6.620 -9.831 482 HG3 GLU 61 1HG GLU 61 -7.207 8.125 -9.250 483 H LYS 62 H LYS 62 -9.676 4.195 -6.597 484 HA LYS 62 HA LYS 62 -12.052 5.724 -6.212 485 HB2 LYS 62 2HB LYS 62 -11.554 2.786 -5.713 486 HB3 LYS 62 1HB LYS 62 -13.130 3.561 -5.804 487 HG2 LYS 62 2HG LYS 62 -11.806 4.244 -8.175 488 HG3 LYS 62 1HG LYS 62 -11.483 2.530 -7.910 489 HD2 LYS 62 2HD LYS 62 -13.605 1.950 -8.339 490 HD3 LYS 62 1HD LYS 62 -14.255 3.288 -7.390 491 HE2 LYS 62 2HE LYS 62 -13.179 3.466 -10.203 492 HE3 LYS 62 1HE LYS 62 -14.882 3.474 -9.746 493 HZ1 LYS 62 3HZ LYS 62 -13.372 5.674 -10.079 494 HZ2 LYS 62 1HZ LYS 62 -13.286 5.466 -8.403 495 HZ3 LYS 62 2HZ LYS 62 -14.790 5.615 -9.161 496 H ILE 63 H ILE 63 -9.623 5.759 -4.261 497 HA ILE 63 HA ILE 63 -11.269 5.661 -1.848 498 HB ILE 63 HB ILE 63 -9.296 3.830 -2.316 499 HG12 ILE 63 2HG1 ILE 63 -9.507 4.438 0.519 500 HG13 ILE 63 1HG1 ILE 63 -11.076 4.506 -0.277 501 HG21 ILE 63 1HG2 ILE 63 -8.102 5.989 -0.581 502 HG22 ILE 63 2HG2 ILE 63 -7.569 5.562 -2.207 503 HG23 ILE 63 3HG2 ILE 63 -7.406 4.399 -0.891 504 HD11 ILE 63 3HD1 ILE 63 -10.143 2.205 -1.294 505 HD12 ILE 63 1HD1 ILE 63 -11.084 2.311 0.194 506 HD13 ILE 63 2HD1 ILE 63 -9.324 2.210 0.268 507 H GLN 64 H GLN 64 -11.317 7.567 -0.863 508 HA GLN 64 HA GLN 64 -9.061 9.377 -1.212 509 HB2 GLN 64 2HB GLN 64 -11.955 10.125 -0.812 510 HB3 GLN 64 1HB GLN 64 -10.621 11.248 -1.033 511 HG2 GLN 64 2HG GLN 64 -11.220 11.229 -3.177 512 HG3 GLN 64 1HG GLN 64 -10.383 9.678 -3.241 513 HE21 GLN 64 1HE2 GLN 64 -11.710 7.755 -2.788 514 HE22 GLN 64 2HE2 GLN 64 -13.347 7.743 -3.338 515 H SER 65 H SER 65 -10.728 7.513 0.967 516 HA SER 65 HA SER 65 -9.941 9.219 3.239 517 HB2 SER 65 2HB SER 65 -11.946 6.956 3.308 518 HB3 SER 65 1HB SER 65 -11.659 8.178 4.546 519 HG SER 65 HG SER 65 -13.091 8.342 2.179 520 H ILE 66 H ILE 66 -9.000 8.223 5.062 521 HA ILE 66 HA ILE 66 -7.038 6.288 4.431 522 HB ILE 66 HB ILE 66 -7.507 6.604 7.280 523 HG12 ILE 66 2HG1 ILE 66 -8.541 8.700 6.680 524 HG13 ILE 66 1HG1 ILE 66 -6.936 9.042 7.310 525 HG21 ILE 66 1HG2 ILE 66 -5.368 5.972 6.807 526 HG22 ILE 66 2HG2 ILE 66 -5.139 7.719 6.880 527 HG23 ILE 66 3HG2 ILE 66 -5.300 6.914 5.319 528 HD11 ILE 66 3HD1 ILE 66 -6.579 10.248 5.493 529 HD12 ILE 66 1HD1 ILE 66 -8.073 9.675 4.752 530 HD13 ILE 66 2HD1 ILE 66 -6.585 8.747 4.567 531 HA PRO 67 HA PRO 67 -9.969 3.596 7.412 532 HB2 PRO 67 2HB PRO 67 -12.490 4.587 6.174 533 HB3 PRO 67 1HB PRO 67 -12.167 4.112 7.845 534 HG2 PRO 67 2HG PRO 67 -12.386 6.681 7.181 535 HG3 PRO 67 1HG PRO 67 -11.190 6.146 8.375 536 HD2 PRO 67 2HD PRO 67 -10.800 6.946 5.525 537 HD3 PRO 67 1HD PRO 67 -9.750 7.223 6.930 538 H ASP 68 H ASP 68 -11.906 4.290 4.511 539 HA ASP 68 HA ASP 68 -12.230 1.679 3.682 540 HB2 ASP 68 2HB ASP 68 -12.679 4.298 2.573 541 HB3 ASP 68 1HB ASP 68 -12.056 3.223 1.325 542 H ALA 69 H ALA 69 -9.400 3.532 3.685 543 HA ALA 69 HA ALA 69 -8.066 2.367 1.471 544 HB1 ALA 69 1HB ALA 69 -6.723 4.077 1.887 545 HB2 ALA 69 2HB ALA 69 -6.148 3.237 3.327 546 HB3 ALA 69 3HB ALA 69 -7.508 4.354 3.441 547 H VAL 70 H VAL 70 -6.626 2.179 4.632 548 HA VAL 70 HA VAL 70 -5.569 -0.395 4.187 549 HB VAL 70 HB VAL 70 -4.348 0.961 5.667 550 HG11 VAL 70 1HG1 VAL 70 -6.853 1.938 6.438 551 HG12 VAL 70 2HG1 VAL 70 -5.270 2.490 6.988 552 HG13 VAL 70 3HG1 VAL 70 -6.139 1.255 7.899 553 HG21 VAL 70 3HG2 VAL 70 -5.804 -1.076 7.351 554 HG22 VAL 70 1HG2 VAL 70 -4.254 -0.333 7.743 555 HG23 VAL 70 2HG2 VAL 70 -4.397 -1.384 6.336 556 H GLU 71 H GLU 71 -8.642 0.601 5.267 557 HA GLU 71 HA GLU 71 -9.244 -1.618 6.930 558 HB2 GLU 71 2HB GLU 71 -11.384 -0.740 7.115 559 HB3 GLU 71 1HB GLU 71 -10.412 0.689 6.794 560 HG2 GLU 71 2HG GLU 71 -11.086 0.683 4.484 561 HG3 GLU 71 1HG GLU 71 -11.958 -0.832 4.709 562 H TYR 72 H TYR 72 -10.348 -0.796 3.632 563 HA TYR 72 HA TYR 72 -11.625 -3.239 3.149 564 HB2 TYR 72 2HB TYR 72 -12.122 -2.371 1.122 565 HB3 TYR 72 1HB TYR 72 -11.454 -0.890 1.801 566 HD1 TYR 72 1HD TYR 72 -8.989 -0.401 1.381 567 HD2 TYR 72 2HD TYR 72 -11.158 -3.354 -0.774 568 HE1 TYR 72 1HE TYR 72 -7.286 -0.345 -0.391 569 HE2 TYR 72 2HE TYR 72 -9.465 -3.307 -2.557 570 HH TYR 72 HH TYR 72 -7.732 -1.522 -3.403 571 H ILE 73 H ILE 73 -8.384 -2.161 2.248 572 HA ILE 73 HA ILE 73 -7.596 -4.518 0.953 573 HB ILE 73 HB ILE 73 -5.219 -3.736 1.682 574 HG12 ILE 73 2HG1 ILE 73 -6.985 -1.704 2.872 575 HG13 ILE 73 1HG1 ILE 73 -5.328 -2.134 3.272 576 HG21 ILE 73 1HG2 ILE 73 -5.188 -3.013 -0.411 577 HG22 ILE 73 2HG2 ILE 73 -6.139 -1.594 0.022 578 HG23 ILE 73 3HG2 ILE 73 -6.950 -3.092 -0.430 579 HD11 ILE 73 3HD1 ILE 73 -5.544 0.176 2.493 580 HD12 ILE 73 1HD1 ILE 73 -6.148 -0.417 0.945 581 HD13 ILE 73 2HD1 ILE 73 -4.500 -0.790 1.449 582 H ALA 74 H ALA 74 -7.277 -3.499 4.302 583 HA ALA 74 HA ALA 74 -5.740 -5.587 5.284 584 HB1 ALA 74 1HB ALA 74 -7.940 -4.073 6.680 585 HB2 ALA 74 2HB ALA 74 -6.235 -3.628 6.617 586 HB3 ALA 74 3HB ALA 74 -6.736 -5.083 7.480 587 H GLN 75 H GLN 75 -9.191 -5.414 4.719 588 HA GLN 75 HA GLN 75 -9.717 -7.985 5.855 589 HB2 GLN 75 2HB GLN 75 -11.534 -6.398 4.049 590 HB3 GLN 75 1HB GLN 75 -11.992 -7.638 5.209 591 HG2 GLN 75 2HG GLN 75 -11.341 -4.790 5.627 592 HG3 GLN 75 1HG GLN 75 -12.531 -5.816 6.428 593 HE21 GLN 75 1HE2 GLN 75 -10.440 -3.946 7.448 594 HE22 GLN 75 2HE2 GLN 75 -9.532 -4.875 8.586 595 H ASN 76 H ASN 76 -8.595 -6.832 2.866 596 HA ASN 76 HA ASN 76 -9.660 -8.778 1.128 597 HB2 ASN 76 2HB ASN 76 -7.567 -6.729 1.021 598 HB3 ASN 76 1HB ASN 76 -7.221 -8.139 0.024 599 HD21 ASN 76 1HD2 ASN 76 -9.109 -5.324 0.413 600 HD22 ASN 76 2HD2 ASN 76 -10.023 -5.453 -1.047 601 HA PRO 77 HA PRO 77 -5.604 -11.321 1.690 602 HB2 PRO 77 2HB PRO 77 -4.165 -9.955 3.867 603 HB3 PRO 77 1HB PRO 77 -3.563 -10.517 2.305 604 HG2 PRO 77 2HG PRO 77 -3.874 -7.905 2.839 605 HG3 PRO 77 1HG PRO 77 -4.165 -8.572 1.221 606 HD2 PRO 77 2HD PRO 77 -6.139 -7.803 3.339 607 HD3 PRO 77 1HD PRO 77 -6.209 -7.547 1.583 608 H MET 78 H MET 78 -6.828 -9.723 4.606 609 HA MET 78 HA MET 78 -6.441 -11.940 6.331 610 HB2 MET 78 2HB MET 78 -6.728 -10.092 7.621 611 HB3 MET 78 1HB MET 78 -7.805 -9.324 6.465 612 HG2 MET 78 2HG MET 78 -9.675 -10.286 7.349 613 HG3 MET 78 1HG MET 78 -8.800 -11.686 7.964 614 HE1 MET 78 3HE MET 78 -10.614 -10.302 10.825 615 HE2 MET 78 1HE MET 78 -9.289 -11.412 11.175 616 HE3 MET 78 2HE MET 78 -10.263 -11.634 9.722 617 H ALA 79 H ALA 79 -8.745 -11.221 3.925 618 HA ALA 79 HA ALA 79 -10.788 -12.949 4.981 619 HB1 ALA 79 1HB ALA 79 -10.570 -11.068 2.719 620 HB2 ALA 79 2HB ALA 79 -11.879 -11.301 3.879 621 HB3 ALA 79 3HB ALA 79 -11.686 -12.420 2.529 622 H LYS 80 H LYS 80 -9.649 -12.874 1.670 623 HA LYS 80 HA LYS 80 -10.089 -15.468 0.991 624 HB2 LYS 80 2HB LYS 80 -7.989 -15.143 -0.541 625 HB3 LYS 80 1HB LYS 80 -9.428 -14.166 -0.797 626 HG2 LYS 80 2HG LYS 80 -7.985 -12.457 -0.796 627 HG3 LYS 80 1HG LYS 80 -8.067 -12.619 0.960 628 HD2 LYS 80 2HD LYS 80 -5.837 -12.831 0.854 629 HD3 LYS 80 1HD LYS 80 -6.168 -14.473 0.300 630 HE2 LYS 80 2HE LYS 80 -4.572 -13.312 -1.160 631 HE3 LYS 80 1HE LYS 80 -6.055 -13.744 -2.011 632 HZ1 LYS 80 3HZ LYS 80 -5.791 -11.075 -0.798 633 HZ2 LYS 80 1HZ LYS 80 -6.734 -11.563 -2.117 634 HZ3 LYS 80 2HZ LYS 80 -5.060 -11.391 -2.290 635 H282 PNS 101 8H2 PNS 101 4.642 11.880 -10.195 636 H281 PNS 101 9H2 PNS 101 3.920 11.738 -8.590 637 H303 PNS 101 0H3 PNS 101 3.260 15.436 -8.815 638 H302 PNS 101 1H3 PNS 101 3.726 14.582 -7.344 639 H301 PNS 101 2H3 PNS 101 2.486 13.907 -8.400 640 H313 PNS 101 3H3 PNS 101 5.438 13.592 -7.248 641 H312 PNS 101 4H3 PNS 101 6.365 14.436 -8.489 642 H311 PNS 101 5H3 PNS 101 6.225 12.677 -8.535 643 H32 PNS 101 6H3 PNS 101 4.877 13.636 -11.089 644 H33 PNS 101 7H3 PNS 101 3.684 16.058 -10.763 645 H36 PNS 101 8H3 PNS 101 5.459 16.667 -9.725 646 H372 PNS 101 9H3 PNS 101 8.329 16.102 -9.655 647 H371 PNS 101 0H4 PNS 101 7.478 17.333 -8.723 648 H382 PNS 101 1H4 PNS 101 7.029 18.404 -11.048 649 H381 PNS 101 2H4 PNS 101 8.600 18.610 -10.275 650 H41 PNS 101 3H4 PNS 101 8.110 15.365 -11.830 651 H422 PNS 101 4H4 PNS 101 7.524 16.353 -14.346 652 H421 PNS 101 5H4 PNS 101 6.539 15.189 -13.461 653 H431 PNS 101 7H4 PNS 101 5.287 16.958 -12.415 654 H432 PNS 101 6H4 PNS 101 6.355 18.181 -13.117 655 H44 PNS 101 8H4 PNS 101 4.474 16.414 -14.870 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -6.266 -7.061 8.657 2 H2 MET 1 2HT MET 1 -5.639 -8.649 8.471 3 H3 MET 1 3HT MET 1 -4.597 -7.292 8.345 4 HA MET 1 HA MET 1 -6.120 -7.667 10.787 5 HB2 MET 1 2HB MET 1 -4.328 -9.148 11.638 6 HB3 MET 1 1HB MET 1 -5.248 -9.885 10.335 7 HG2 MET 1 2HG MET 1 -3.272 -8.793 8.904 8 HG3 MET 1 1HG MET 1 -2.423 -9.044 10.427 9 HE1 MET 1 2HE MET 1 -3.540 -11.393 11.714 10 HE2 MET 1 3HE MET 1 -1.817 -11.594 11.392 11 HE3 MET 1 1HE MET 1 -2.947 -12.885 10.984 12 H ASN 2 H ASN 2 -3.696 -7.666 12.316 13 HA ASN 2 HA ASN 2 -3.177 -4.872 12.341 14 HB2 ASN 2 2HB ASN 2 -1.247 -5.922 13.962 15 HB3 ASN 2 1HB ASN 2 -2.885 -5.531 14.477 16 HD21 ASN 2 1HD2 ASN 2 -0.615 -8.016 13.833 17 HD22 ASN 2 2HD2 ASN 2 -1.600 -9.350 14.316 18 H ASP 3 H ASP 3 -1.537 -7.659 11.072 19 HA ASP 3 HA ASP 3 1.029 -6.706 10.742 20 HB2 ASP 3 2HB ASP 3 -0.572 -8.843 9.638 21 HB3 ASP 3 1HB ASP 3 0.502 -8.171 8.415 22 H VAL 4 H VAL 4 -1.807 -6.081 8.784 23 HA VAL 4 HA VAL 4 -0.437 -4.786 6.663 24 HB VAL 4 HB VAL 4 -2.738 -3.813 6.151 25 HG11 VAL 4 1HG1 VAL 4 -1.672 -5.985 5.278 26 HG12 VAL 4 2HG1 VAL 4 -3.413 -5.772 5.086 27 HG13 VAL 4 3HG1 VAL 4 -2.787 -6.801 6.373 28 HG21 VAL 4 3HG2 VAL 4 -4.629 -4.633 7.313 29 HG22 VAL 4 1HG2 VAL 4 -3.510 -4.050 8.543 30 HG23 VAL 4 2HG2 VAL 4 -3.656 -5.781 8.233 31 H LEU 5 H LEU 5 -2.196 -3.546 9.491 32 HA LEU 5 HA LEU 5 -1.774 -0.825 8.911 33 HB2 LEU 5 2HB LEU 5 -2.162 -1.909 11.656 34 HB3 LEU 5 1HB LEU 5 -2.655 -0.352 11.032 35 HG LEU 5 HG LEU 5 -4.689 -1.338 11.001 36 HD11 LEU 5 1HD1 LEU 5 -3.317 -1.844 8.468 37 HD12 LEU 5 2HD1 LEU 5 -4.875 -1.082 8.788 38 HD13 LEU 5 3HD1 LEU 5 -4.750 -2.839 8.728 39 HD21 LEU 5 3HD2 LEU 5 -3.185 -3.925 10.846 40 HD22 LEU 5 1HD2 LEU 5 -4.927 -3.861 10.578 41 HD23 LEU 5 2HD2 LEU 5 -4.252 -3.332 12.119 42 H THR 6 H THR 6 0.059 -3.200 10.669 43 HA THR 6 HA THR 6 1.808 -1.526 12.037 44 HB THR 6 HB THR 6 1.518 -4.277 11.669 45 HG1 THR 6 1HG THR 6 3.564 -2.974 13.127 46 HG21 THR 6 3HG2 THR 6 4.045 -4.821 11.543 47 HG22 THR 6 1HG2 THR 6 4.137 -3.315 10.629 48 HG23 THR 6 2HG2 THR 6 3.116 -4.634 10.057 49 H ARG 7 H ARG 7 2.373 -3.170 8.952 50 HA ARG 7 HA ARG 7 4.749 -1.685 8.435 51 HB2 ARG 7 2HB ARG 7 4.158 -4.082 7.668 52 HB3 ARG 7 1HB ARG 7 3.267 -3.288 6.376 53 HG2 ARG 7 2HG ARG 7 6.129 -2.593 6.877 54 HG3 ARG 7 1HG ARG 7 5.704 -4.045 5.969 55 HD2 ARG 7 2HD ARG 7 4.648 -2.809 4.276 56 HD3 ARG 7 1HD ARG 7 4.566 -1.355 5.272 57 HE ARG 7 HE ARG 7 7.143 -1.499 5.071 58 HH11 ARG 7 1HH1 ARG 7 4.836 -2.339 2.601 59 HH12 ARG 7 2HH1 ARG 7 5.901 -1.953 1.291 60 HH21 ARG 7 1HH2 ARG 7 8.554 -0.986 3.354 61 HH22 ARG 7 2HH2 ARG 7 8.017 -1.184 1.719 62 H VAL 8 H VAL 8 1.470 -1.728 7.112 63 HA VAL 8 HA VAL 8 1.849 0.187 5.123 64 HB VAL 8 HB VAL 8 -0.248 -1.357 5.844 65 HG11 VAL 8 1HG1 VAL 8 -0.872 0.058 7.716 66 HG12 VAL 8 2HG1 VAL 8 -2.113 0.116 6.464 67 HG13 VAL 8 3HG1 VAL 8 -0.982 1.456 6.646 68 HG21 VAL 8 3HG2 VAL 8 -1.004 1.031 4.286 69 HG22 VAL 8 1HG2 VAL 8 -1.136 -0.682 3.882 70 HG23 VAL 8 2HG2 VAL 8 0.412 0.147 3.715 71 H LEU 9 H LEU 9 0.619 0.589 8.441 72 HA LEU 9 HA LEU 9 0.246 3.367 8.322 73 HB2 LEU 9 2HB LEU 9 -0.333 3.201 10.491 74 HB3 LEU 9 1HB LEU 9 -0.268 1.481 10.178 75 HG LEU 9 HG LEU 9 2.278 1.847 10.903 76 HD11 LEU 9 1HD1 LEU 9 1.729 4.329 11.211 77 HD12 LEU 9 2HD1 LEU 9 2.603 3.510 12.505 78 HD13 LEU 9 3HD1 LEU 9 0.875 3.821 12.668 79 HD21 LEU 9 3HD2 LEU 9 1.579 1.201 13.194 80 HD22 LEU 9 1HD2 LEU 9 0.812 0.250 11.924 81 HD23 LEU 9 2HD2 LEU 9 -0.092 1.528 12.735 82 H GLU 10 H GLU 10 3.062 1.468 9.349 83 HA GLU 10 HA GLU 10 4.650 3.663 10.111 84 HB2 GLU 10 2HB GLU 10 6.470 2.136 10.220 85 HB3 GLU 10 1HB GLU 10 5.037 1.249 10.724 86 HG2 GLU 10 2HG GLU 10 5.358 -0.258 9.142 87 HG3 GLU 10 1HG GLU 10 5.376 0.990 7.897 88 H VAL 11 H VAL 11 4.100 2.063 7.077 89 HA VAL 11 HA VAL 11 6.234 3.039 5.605 90 HB VAL 11 HB VAL 11 3.605 1.948 4.973 91 HG11 VAL 11 1HG1 VAL 11 3.726 4.035 3.603 92 HG12 VAL 11 2HG1 VAL 11 3.602 2.546 2.667 93 HG13 VAL 11 3HG1 VAL 11 5.158 3.363 2.824 94 HG21 VAL 11 3HG2 VAL 11 5.356 0.899 3.203 95 HG22 VAL 11 1HG2 VAL 11 5.077 0.260 4.823 96 HG23 VAL 11 2HG2 VAL 11 6.436 1.343 4.524 97 H VAL 12 H VAL 12 2.977 4.372 5.873 98 HA VAL 12 HA VAL 12 3.538 6.686 4.324 99 HB VAL 12 HB VAL 12 1.392 7.563 5.321 100 HG11 VAL 12 1HG1 VAL 12 -0.018 5.802 4.201 101 HG12 VAL 12 2HG1 VAL 12 1.466 4.876 3.966 102 HG13 VAL 12 3HG1 VAL 12 1.291 6.465 3.220 103 HG21 VAL 12 3HG2 VAL 12 1.409 6.461 7.451 104 HG22 VAL 12 1HG2 VAL 12 1.449 4.874 6.684 105 HG23 VAL 12 2HG2 VAL 12 0.012 5.885 6.543 106 H LYS 13 H LYS 13 3.104 6.228 7.837 107 HA LYS 13 HA LYS 13 3.566 8.836 8.638 108 HB2 LYS 13 2HB LYS 13 3.639 8.025 10.772 109 HB3 LYS 13 1HB LYS 13 2.946 6.624 9.967 110 HG2 LYS 13 2HG LYS 13 4.912 5.416 10.080 111 HG3 LYS 13 1HG LYS 13 5.909 6.865 10.284 112 HD2 LYS 13 2HD LYS 13 4.135 5.508 12.299 113 HD3 LYS 13 1HD LYS 13 5.867 5.834 12.401 114 HE2 LYS 13 2HE LYS 13 4.767 8.338 12.058 115 HE3 LYS 13 1HE LYS 13 3.600 7.523 13.099 116 HZ1 LYS 13 3HZ LYS 13 5.225 8.590 14.458 117 HZ2 LYS 13 1HZ LYS 13 6.503 7.876 13.609 118 HZ3 LYS 13 2HZ LYS 13 5.484 6.922 14.565 119 H ASN 14 H ASN 14 5.949 6.216 8.253 120 HA ASN 14 HA ASN 14 8.125 8.018 8.768 121 HB2 ASN 14 2HB ASN 14 8.367 5.201 7.731 122 HB3 ASN 14 1HB ASN 14 9.549 6.125 8.653 123 HD21 ASN 14 1HD2 ASN 14 7.331 3.724 8.830 124 HD22 ASN 14 2HD2 ASN 14 7.007 3.747 10.526 125 H PHE 15 H PHE 15 6.209 7.482 6.159 126 HA PHE 15 HA PHE 15 8.080 7.351 4.045 127 HB2 PHE 15 2HB PHE 15 5.258 7.394 4.311 128 HB3 PHE 15 1HB PHE 15 5.696 8.699 3.213 129 HD1 PHE 15 2HD PHE 15 7.279 5.370 3.694 130 HD2 PHE 15 1HD PHE 15 5.098 7.951 1.107 131 HE1 PHE 15 2HE PHE 15 7.529 3.742 1.867 132 HE2 PHE 15 1HE PHE 15 5.344 6.327 -0.726 133 HZ PHE 15 HZ PHE 15 6.561 4.219 -0.347 134 H GLU 16 H GLU 16 6.889 9.895 6.025 135 HA GLU 16 HA GLU 16 8.150 11.913 6.255 136 HB2 GLU 16 2HB GLU 16 9.397 12.831 4.522 137 HB3 GLU 16 1HB GLU 16 9.537 11.108 4.214 138 HG2 GLU 16 2HG GLU 16 8.751 11.412 2.178 139 HG3 GLU 16 1HG GLU 16 7.247 12.033 2.852 140 H LYS 17 H LYS 17 5.444 10.926 4.596 141 HA LYS 17 HA LYS 17 4.421 13.345 3.588 142 HB2 LYS 17 2HB LYS 17 3.456 10.643 4.041 143 HB3 LYS 17 1HB LYS 17 2.213 11.842 4.375 144 HG2 LYS 17 2HG LYS 17 1.914 11.324 2.130 145 HG3 LYS 17 1HG LYS 17 2.822 12.837 2.099 146 HD2 LYS 17 2HD LYS 17 4.381 10.315 2.105 147 HD3 LYS 17 1HD LYS 17 3.504 10.717 0.627 148 HE2 LYS 17 2HE LYS 17 5.441 12.543 2.047 149 HE3 LYS 17 1HE LYS 17 5.828 11.561 0.634 150 HZ1 LYS 17 3HZ LYS 17 3.512 13.301 0.391 151 HZ2 LYS 17 1HZ LYS 17 4.721 12.939 -0.738 152 HZ3 LYS 17 2HZ LYS 17 5.012 14.077 0.478 153 H VAL 18 H VAL 18 3.895 11.702 6.703 154 HA VAL 18 HA VAL 18 3.852 13.999 8.256 155 HB VAL 18 HB VAL 18 1.115 13.520 8.564 156 HG11 VAL 18 1HG1 VAL 18 1.925 15.660 8.970 157 HG12 VAL 18 2HG1 VAL 18 0.997 15.860 7.484 158 HG13 VAL 18 3HG1 VAL 18 2.755 15.747 7.417 159 HG21 VAL 18 3HG2 VAL 18 0.089 13.460 6.529 160 HG22 VAL 18 1HG2 VAL 18 1.543 12.542 6.136 161 HG23 VAL 18 2HG2 VAL 18 1.433 14.248 5.703 162 H ASP 19 H ASP 19 2.860 13.619 10.448 163 HA ASP 19 HA ASP 19 3.666 11.100 11.426 164 HB2 ASP 19 2HB ASP 19 2.103 13.348 12.699 165 HB3 ASP 19 1HB ASP 19 2.604 11.906 13.577 166 H ALA 20 H ALA 20 2.605 9.234 11.487 167 HA ALA 20 HA ALA 20 0.059 8.856 10.414 168 HB1 ALA 20 1HB ALA 20 0.658 6.774 12.290 169 HB2 ALA 20 2HB ALA 20 2.118 7.229 11.410 170 HB3 ALA 20 3HB ALA 20 0.676 6.728 10.527 171 H SER 21 H SER 21 0.987 9.949 13.514 172 HA SER 21 HA SER 21 -1.227 9.059 15.021 173 HB2 SER 21 2HB SER 21 0.406 9.774 16.452 174 HB3 SER 21 1HB SER 21 0.929 11.068 15.373 175 HG SER 21 HG SER 21 -0.953 12.225 15.997 176 H LYS 22 H LYS 22 -0.856 11.528 12.683 177 HA LYS 22 HA LYS 22 -3.086 13.112 13.567 178 HB2 LYS 22 2HB LYS 22 -2.637 14.526 11.726 179 HB3 LYS 22 1HB LYS 22 -1.065 13.996 12.308 180 HG2 LYS 22 2HG LYS 22 -1.215 12.181 10.515 181 HG3 LYS 22 1HG LYS 22 -2.536 13.138 9.842 182 HD2 LYS 22 2HD LYS 22 0.364 13.839 10.110 183 HD3 LYS 22 1HD LYS 22 -0.673 13.912 8.683 184 HE2 LYS 22 2HE LYS 22 -1.798 15.615 10.644 185 HE3 LYS 22 1HE LYS 22 -0.072 15.965 10.568 186 HZ1 LYS 22 3HZ LYS 22 -1.768 17.119 8.960 187 HZ2 LYS 22 1HZ LYS 22 -1.541 15.712 8.049 188 HZ3 LYS 22 2HZ LYS 22 -0.220 16.694 8.431 189 H VAL 23 H VAL 23 -2.666 10.285 11.738 190 HA VAL 23 HA VAL 23 -4.992 10.608 10.083 191 HB VAL 23 HB VAL 23 -4.394 8.684 9.027 192 HG11 VAL 23 1HG1 VAL 23 -2.176 8.833 8.580 193 HG12 VAL 23 2HG1 VAL 23 -1.718 8.818 10.283 194 HG13 VAL 23 3HG1 VAL 23 -2.332 10.299 9.548 195 HG21 VAL 23 3HG2 VAL 23 -4.853 7.212 10.905 196 HG22 VAL 23 1HG2 VAL 23 -3.305 7.633 11.637 197 HG23 VAL 23 2HG2 VAL 23 -3.347 6.744 10.114 198 H THR 24 H THR 24 -7.017 10.167 10.645 199 HA THR 24 HA THR 24 -7.485 8.508 12.994 200 HB THR 24 HB THR 24 -8.253 10.658 13.551 201 HG1 THR 24 1HG THR 24 -10.309 8.972 12.662 202 HG21 THR 24 3HG2 THR 24 -9.547 12.104 12.206 203 HG22 THR 24 1HG2 THR 24 -9.780 10.861 10.976 204 HG23 THR 24 2HG2 THR 24 -8.184 11.569 11.223 205 HA PRO 25 HA PRO 25 -9.767 5.496 10.771 206 HB2 PRO 25 2HB PRO 25 -12.071 5.977 12.589 207 HB3 PRO 25 1HB PRO 25 -11.218 4.474 12.227 208 HG2 PRO 25 2HG PRO 25 -10.837 5.724 14.546 209 HG3 PRO 25 1HG PRO 25 -9.487 4.947 13.698 210 HD2 PRO 25 2HD PRO 25 -10.187 7.844 13.896 211 HD3 PRO 25 1HD PRO 25 -8.590 7.066 13.895 212 H GLU 26 H GLU 26 -11.589 8.430 11.567 213 HA GLU 26 HA GLU 26 -13.252 8.036 9.207 214 HB2 GLU 26 2HB GLU 26 -14.883 9.217 10.239 215 HB3 GLU 26 1HB GLU 26 -13.985 8.787 11.688 216 HG2 GLU 26 2HG GLU 26 -14.017 10.975 12.111 217 HG3 GLU 26 1HG GLU 26 -12.715 11.065 10.925 218 H SER 27 H SER 27 -10.379 9.405 9.895 219 HA SER 27 HA SER 27 -10.574 11.970 8.737 220 HB2 SER 27 2HB SER 27 -8.520 12.058 9.618 221 HB3 SER 27 1HB SER 27 -8.511 10.309 9.843 222 HG SER 27 HG SER 27 -7.112 11.739 8.108 223 H HIS 28 H HIS 28 -10.116 12.706 6.684 224 HA HIS 28 HA HIS 28 -10.622 10.857 4.560 225 HB2 HIS 28 2HB HIS 28 -10.525 13.785 4.876 226 HB3 HIS 28 1HB HIS 28 -10.034 13.190 3.294 227 HD1 HIS 28 1HD HIS 28 -11.885 11.465 2.185 228 HD2 HIS 28 2HD HIS 28 -13.202 14.081 5.132 229 HE1 HIS 28 1HE HIS 28 -14.384 11.569 1.923 230 HE2 HIS 28 2HE HIS 28 -15.151 13.220 3.665 231 H PHE 29 H PHE 29 -9.243 10.416 2.793 232 HA PHE 29 HA PHE 29 -6.528 10.068 3.480 233 HB2 PHE 29 2HB PHE 29 -8.065 8.767 1.790 234 HB3 PHE 29 1HB PHE 29 -7.437 9.939 0.637 235 HD1 PHE 29 2HD PHE 29 -4.669 10.260 1.541 236 HD2 PHE 29 1HD PHE 29 -7.069 6.759 1.224 237 HE1 PHE 29 2HE PHE 29 -2.639 8.898 1.261 238 HE2 PHE 29 1HE PHE 29 -5.042 5.391 0.946 239 HZ PHE 29 HZ PHE 29 -2.824 6.461 0.964 240 H VAL 30 H VAL 30 -7.412 11.544 0.428 241 HA VAL 30 HA VAL 30 -5.147 13.176 0.308 242 HB VAL 30 HB VAL 30 -6.249 14.336 -1.557 243 HG11 VAL 30 1HG1 VAL 30 -5.506 12.599 -2.723 244 HG12 VAL 30 2HG1 VAL 30 -7.069 11.815 -2.492 245 HG13 VAL 30 3HG1 VAL 30 -5.758 11.521 -1.350 246 HG21 VAL 30 3HG2 VAL 30 -8.661 12.657 -0.878 247 HG22 VAL 30 1HG2 VAL 30 -8.505 13.787 -2.223 248 HG23 VAL 30 2HG2 VAL 30 -8.513 14.386 -0.564 249 H LYS 31 H LYS 31 -8.306 13.731 1.618 250 HA LYS 31 HA LYS 31 -8.111 16.545 1.859 251 HB2 LYS 31 2HB LYS 31 -9.794 14.920 3.719 252 HB3 LYS 31 1HB LYS 31 -10.150 16.464 2.956 253 HG2 LYS 31 2HG LYS 31 -10.343 15.278 0.781 254 HG3 LYS 31 1HG LYS 31 -10.151 13.754 1.649 255 HD2 LYS 31 2HD LYS 31 -12.406 13.818 1.722 256 HD3 LYS 31 1HD LYS 31 -12.125 14.890 3.095 257 HE2 LYS 31 2HE LYS 31 -12.743 16.754 1.945 258 HE3 LYS 31 1HE LYS 31 -12.172 16.122 0.401 259 HZ1 LYS 31 3HZ LYS 31 -14.165 14.478 0.777 260 HZ2 LYS 31 1HZ LYS 31 -14.407 16.003 0.084 261 HZ3 LYS 31 2HZ LYS 31 -14.758 15.751 1.720 262 H ASP 32 H ASP 32 -7.206 13.863 3.929 263 HA ASP 32 HA ASP 32 -6.552 15.596 6.131 264 HB2 ASP 32 2HB ASP 32 -7.520 13.286 6.423 265 HB3 ASP 32 1HB ASP 32 -5.971 12.647 5.880 266 H LEU 33 H LEU 33 -5.115 15.313 3.350 267 HA LEU 33 HA LEU 33 -2.977 16.223 2.923 268 HB2 LEU 33 2HB LEU 33 -2.130 14.820 5.460 269 HB3 LEU 33 1HB LEU 33 -1.123 15.853 4.466 270 HG LEU 33 HG LEU 33 -3.317 16.602 6.346 271 HD11 LEU 33 1HD1 LEU 33 -0.830 18.153 5.817 272 HD12 LEU 33 2HD1 LEU 33 -0.724 16.638 6.714 273 HD13 LEU 33 3HD1 LEU 33 -1.737 17.950 7.316 274 HD21 LEU 33 3HD2 LEU 33 -4.220 17.973 4.830 275 HD22 LEU 33 1HD2 LEU 33 -2.867 17.780 3.715 276 HD23 LEU 33 2HD2 LEU 33 -2.762 18.943 5.036 277 H GLY 34 H GLY 34 -4.214 13.993 1.858 278 HA2 GLY 34 2HA GLY 34 -2.941 11.562 1.927 279 HA3 GLY 34 1HA GLY 34 -3.676 12.233 0.479 280 H LEU 35 H LEU 35 -1.348 10.556 0.624 281 HA LEU 35 HA LEU 35 1.033 12.049 0.362 282 HB2 LEU 35 2HB LEU 35 0.330 9.336 -0.758 283 HB3 LEU 35 1HB LEU 35 1.948 10.007 -0.679 284 HG LEU 35 HG LEU 35 2.168 9.598 1.550 285 HD11 LEU 35 1HD1 LEU 35 0.474 9.744 3.192 286 HD12 LEU 35 2HD1 LEU 35 -0.807 9.620 1.987 287 HD13 LEU 35 3HD1 LEU 35 0.187 11.073 2.070 288 HD21 LEU 35 3HD2 LEU 35 0.864 7.557 0.130 289 HD22 LEU 35 1HD2 LEU 35 0.136 7.588 1.735 290 HD23 LEU 35 2HD2 LEU 35 1.881 7.398 1.563 291 H ASN 36 H ASN 36 2.276 12.428 -1.571 292 HA ASN 36 HA ASN 36 0.788 13.671 -3.615 293 HB2 ASN 36 2HB ASN 36 3.208 14.134 -2.841 294 HB3 ASN 36 1HB ASN 36 3.658 12.825 -3.928 295 HD21 ASN 36 1HD2 ASN 36 3.645 13.152 -6.086 296 HD22 ASN 36 2HD2 ASN 36 3.345 14.683 -6.829 297 H SER 37 H SER 37 1.581 13.112 -6.025 298 HA SER 37 HA SER 37 0.264 10.730 -6.719 299 HB2 SER 37 2HB SER 37 2.014 11.511 -8.834 300 HB3 SER 37 1HB SER 37 0.268 11.732 -8.720 301 H LEU 38 H LEU 38 3.681 11.540 -7.136 302 HA LEU 38 HA LEU 38 4.582 9.006 -7.820 303 HB2 LEU 38 2HB LEU 38 6.752 9.799 -7.492 304 HB3 LEU 38 1HB LEU 38 5.828 11.233 -7.898 305 HG LEU 38 HG LEU 38 7.402 11.687 -6.094 306 HD11 LEU 38 1HD1 LEU 38 4.473 11.792 -5.528 307 HD12 LEU 38 2HD1 LEU 38 5.584 13.099 -5.933 308 HD13 LEU 38 3HD1 LEU 38 5.630 12.368 -4.329 309 HD21 LEU 38 3HD2 LEU 38 6.825 9.149 -5.229 310 HD22 LEU 38 1HD2 LEU 38 6.000 10.163 -4.044 311 HD23 LEU 38 2HD2 LEU 38 7.729 10.364 -4.325 312 H ASP 39 H ASP 39 3.786 10.341 -4.729 313 HA ASP 39 HA ASP 39 5.100 8.321 -3.185 314 HB2 ASP 39 2HB ASP 39 4.646 10.573 -2.278 315 HB3 ASP 39 1HB ASP 39 2.918 10.245 -2.363 316 H VAL 40 H VAL 40 1.690 9.064 -2.862 317 HA VAL 40 HA VAL 40 0.647 6.816 -1.967 318 HB VAL 40 HB VAL 40 -0.458 8.948 -3.275 319 HG11 VAL 40 1HG1 VAL 40 -0.150 7.270 -5.335 320 HG12 VAL 40 2HG1 VAL 40 -1.502 8.395 -5.209 321 HG13 VAL 40 3HG1 VAL 40 -1.713 6.708 -4.742 322 HG21 VAL 40 3HG2 VAL 40 -1.911 8.331 -1.703 323 HG22 VAL 40 1HG2 VAL 40 -1.353 6.657 -1.749 324 HG23 VAL 40 2HG2 VAL 40 -2.586 7.208 -2.884 325 H VAL 41 H VAL 41 1.931 7.164 -5.208 326 HA VAL 41 HA VAL 41 0.962 4.675 -6.178 327 HB VAL 41 HB VAL 41 1.487 6.261 -7.841 328 HG11 VAL 41 1HG1 VAL 41 3.471 7.102 -6.102 329 HG12 VAL 41 2HG1 VAL 41 3.137 7.755 -7.705 330 HG13 VAL 41 3HG1 VAL 41 4.355 6.497 -7.502 331 HG21 VAL 41 3HG2 VAL 41 3.837 4.958 -8.636 332 HG22 VAL 41 1HG2 VAL 41 2.182 4.577 -9.111 333 HG23 VAL 41 2HG2 VAL 41 2.909 3.770 -7.722 334 H GLU 42 H GLU 42 4.084 5.763 -4.882 335 HA GLU 42 HA GLU 42 5.366 3.258 -5.191 336 HB2 GLU 42 2HB GLU 42 7.211 4.321 -4.446 337 HB3 GLU 42 1HB GLU 42 6.233 5.770 -4.637 338 HG2 GLU 42 2HG GLU 42 5.800 5.928 -2.360 339 HG3 GLU 42 1HG GLU 42 6.234 4.246 -2.064 340 H VAL 43 H VAL 43 3.766 4.844 -2.507 341 HA VAL 43 HA VAL 43 4.273 2.832 -0.588 342 HB VAL 43 HB VAL 43 3.604 4.576 0.647 343 HG11 VAL 43 1HG1 VAL 43 1.960 6.315 -0.355 344 HG12 VAL 43 2HG1 VAL 43 2.307 5.498 -1.877 345 HG13 VAL 43 3HG1 VAL 43 3.615 6.241 -0.956 346 HG21 VAL 43 3HG2 VAL 43 1.781 3.016 1.049 347 HG22 VAL 43 1HG2 VAL 43 0.876 3.755 -0.266 348 HG23 VAL 43 2HG2 VAL 43 1.235 4.689 1.180 349 H VAL 44 H VAL 44 1.443 3.623 -2.525 350 HA VAL 44 HA VAL 44 -0.247 1.570 -1.672 351 HB VAL 44 HB VAL 44 -0.925 3.508 -3.106 352 HG11 VAL 44 1HG1 VAL 44 -0.285 3.765 -5.259 353 HG12 VAL 44 2HG1 VAL 44 -0.182 2.030 -5.552 354 HG13 VAL 44 3HG1 VAL 44 1.118 2.859 -4.696 355 HG21 VAL 44 3HG2 VAL 44 -1.818 0.793 -3.234 356 HG22 VAL 44 1HG2 VAL 44 -2.064 1.572 -4.797 357 HG23 VAL 44 2HG2 VAL 44 -2.760 2.280 -3.340 358 H PHE 45 H PHE 45 2.294 1.665 -4.060 359 HA PHE 45 HA PHE 45 1.782 -0.905 -5.170 360 HB2 PHE 45 2HB PHE 45 3.560 1.306 -5.636 361 HB3 PHE 45 1HB PHE 45 4.468 -0.203 -5.630 362 HD1 PHE 45 1HD PHE 45 3.935 -1.965 -7.197 363 HD2 PHE 45 2HD PHE 45 2.026 1.826 -7.387 364 HE1 PHE 45 1HE PHE 45 3.200 -2.462 -9.500 365 HE2 PHE 45 2HE PHE 45 1.284 1.346 -9.687 366 HZ PHE 45 HZ PHE 45 1.872 -0.801 -10.746 367 H ALA 46 H ALA 46 3.726 0.367 -2.611 368 HA ALA 46 HA ALA 46 5.443 -1.801 -2.186 369 HB1 ALA 46 1HB ALA 46 4.650 -0.342 0.222 370 HB2 ALA 46 2HB ALA 46 5.196 0.677 -1.109 371 HB3 ALA 46 3HB ALA 46 6.249 -0.590 -0.480 372 H ILE 47 H ILE 47 2.374 -0.986 -0.641 373 HA ILE 47 HA ILE 47 2.244 -3.216 1.057 374 HB ILE 47 HB ILE 47 -0.379 -2.716 0.643 375 HG12 ILE 47 2HG1 ILE 47 0.742 -0.883 -1.042 376 HG13 ILE 47 1HG1 ILE 47 -0.842 -0.712 -0.293 377 HG21 ILE 47 1HG2 ILE 47 1.194 -2.490 2.696 378 HG22 ILE 47 2HG2 ILE 47 -0.323 -1.593 2.659 379 HG23 ILE 47 3HG2 ILE 47 1.194 -0.777 2.283 380 HD11 ILE 47 3HD1 ILE 47 0.041 0.678 1.424 381 HD12 ILE 47 1HD1 ILE 47 0.618 1.295 -0.123 382 HD13 ILE 47 2HD1 ILE 47 1.696 0.357 0.910 383 H GLU 48 H GLU 48 1.082 -2.721 -2.246 384 HA GLU 48 HA GLU 48 -0.402 -5.048 -2.548 385 HB2 GLU 48 2HB GLU 48 -0.613 -4.329 -4.661 386 HB3 GLU 48 1HB GLU 48 0.405 -2.974 -4.195 387 HG2 GLU 48 2HG GLU 48 1.226 -3.976 -6.224 388 HG3 GLU 48 1HG GLU 48 2.383 -4.219 -4.916 389 H GLN 49 H GLN 49 3.042 -4.516 -2.709 390 HA GLN 49 HA GLN 49 3.757 -7.056 -3.724 391 HB2 GLN 49 2HB GLN 49 5.925 -6.385 -3.462 392 HB3 GLN 49 1HB GLN 49 5.144 -4.813 -3.382 393 HG2 GLN 49 2HG GLN 49 5.082 -5.239 -0.834 394 HG3 GLN 49 1HG GLN 49 6.314 -6.453 -1.178 395 HE21 GLN 49 1HE2 GLN 49 5.833 -3.368 -2.799 396 HE22 GLN 49 2HE2 GLN 49 7.345 -2.675 -2.328 397 H GLU 50 H GLU 50 3.475 -5.765 -0.430 398 HA GLU 50 HA GLU 50 3.878 -8.442 0.622 399 HB2 GLU 50 2HB GLU 50 5.259 -6.985 1.805 400 HB3 GLU 50 1HB GLU 50 4.055 -5.703 1.815 401 HG2 GLU 50 2HG GLU 50 3.320 -8.169 3.245 402 HG3 GLU 50 1HG GLU 50 4.639 -7.231 3.942 403 H PHE 51 H PHE 51 1.465 -7.766 -0.741 404 HA PHE 51 HA PHE 51 -0.428 -8.282 1.396 405 HB2 PHE 51 2HB PHE 51 -0.482 -6.030 -0.510 406 HB3 PHE 51 1HB PHE 51 -2.015 -6.858 -0.265 407 HD1 PHE 51 1HD PHE 51 0.788 -5.321 1.644 408 HD2 PHE 51 2HD PHE 51 -3.362 -6.252 1.502 409 HE1 PHE 51 1HE PHE 51 0.435 -4.040 3.714 410 HE2 PHE 51 2HE PHE 51 -3.724 -4.972 3.572 411 HZ PHE 51 HZ PHE 51 -1.823 -3.864 4.680 412 H ILE 52 H ILE 52 0.727 -8.981 -1.739 413 HA ILE 52 HA ILE 52 0.204 -10.605 -3.241 414 HB ILE 52 HB ILE 52 -1.974 -11.824 -1.690 415 HG12 ILE 52 2HG1 ILE 52 0.393 -12.667 -0.382 416 HG13 ILE 52 1HG1 ILE 52 0.362 -10.909 -0.323 417 HG21 ILE 52 1HG2 ILE 52 -1.289 -13.605 -2.825 418 HG22 ILE 52 2HG2 ILE 52 0.338 -13.463 -2.158 419 HG23 ILE 52 3HG2 ILE 52 -0.097 -12.577 -3.620 420 HD11 ILE 52 3HD1 ILE 52 -1.471 -12.879 0.913 421 HD12 ILE 52 1HD1 ILE 52 -2.122 -11.314 0.426 422 HD13 ILE 52 2HD1 ILE 52 -0.785 -11.394 1.575 423 H LEU 53 H LEU 53 -1.145 -8.095 -3.311 424 HA LEU 53 HA LEU 53 -3.214 -8.732 -5.147 425 HB2 LEU 53 2HB LEU 53 -4.074 -8.672 -2.551 426 HB3 LEU 53 1HB LEU 53 -4.361 -7.018 -3.058 427 HG LEU 53 HG LEU 53 -6.222 -8.852 -3.323 428 HD11 LEU 53 1HD1 LEU 53 -6.336 -7.462 -5.794 429 HD12 LEU 53 2HD1 LEU 53 -5.625 -6.388 -4.589 430 HD13 LEU 53 3HD1 LEU 53 -7.203 -7.123 -4.296 431 HD21 LEU 53 3HD2 LEU 53 -4.812 -9.143 -5.964 432 HD22 LEU 53 1HD2 LEU 53 -6.228 -10.017 -5.380 433 HD23 LEU 53 2HD2 LEU 53 -4.648 -10.314 -4.655 434 H ASP 54 H ASP 54 -3.993 -6.862 -6.288 435 HA ASP 54 HA ASP 54 -2.021 -4.795 -6.426 436 HB2 ASP 54 2HB ASP 54 -2.688 -4.775 -8.558 437 HB3 ASP 54 1HB ASP 54 -3.990 -5.894 -8.168 438 H ILE 55 H ILE 55 -2.264 -2.634 -5.946 439 HA ILE 55 HA ILE 55 -4.689 -1.909 -4.472 440 HB ILE 55 HB ILE 55 -1.966 -0.767 -3.904 441 HG12 ILE 55 2HG1 ILE 55 -1.560 -2.915 -3.195 442 HG13 ILE 55 1HG1 ILE 55 -2.350 -2.277 -1.757 443 HG21 ILE 55 1HG2 ILE 55 -4.140 0.437 -3.278 444 HG22 ILE 55 2HG2 ILE 55 -2.928 0.213 -2.016 445 HG23 ILE 55 3HG2 ILE 55 -4.341 -0.840 -2.077 446 HD11 ILE 55 3HD1 ILE 55 -4.342 -3.294 -3.511 447 HD12 ILE 55 1HD1 ILE 55 -3.896 -3.844 -1.896 448 HD13 ILE 55 2HD1 ILE 55 -3.077 -4.507 -3.311 449 HA PRO 56 HA PRO 56 -2.914 2.267 -6.435 450 HB2 PRO 56 2HB PRO 56 -1.309 1.481 -8.635 451 HB3 PRO 56 1HB PRO 56 -0.776 2.298 -7.165 452 HG2 PRO 56 2HG PRO 56 -0.675 -0.584 -7.874 453 HG3 PRO 56 1HG PRO 56 0.420 0.366 -6.853 454 HD2 PRO 56 2HD PRO 56 -1.328 -1.361 -5.791 455 HD3 PRO 56 1HD PRO 56 -0.958 0.182 -4.992 456 H ASP 57 H ASP 57 -2.885 2.833 -9.066 457 HA ASP 57 HA ASP 57 -4.092 2.849 -11.002 458 HB2 ASP 57 2HB ASP 57 -5.226 0.157 -10.249 459 HB3 ASP 57 1HB ASP 57 -5.037 0.846 -11.860 460 H HIS 58 H HIS 58 -6.724 1.616 -11.341 461 HA HIS 58 HA HIS 58 -8.317 3.692 -10.312 462 HB2 HIS 58 2HB HIS 58 -8.679 1.373 -12.002 463 HB3 HIS 58 1HB HIS 58 -10.042 1.566 -10.905 464 HD1 HIS 58 1HD HIS 58 -11.733 2.406 -12.579 465 HD2 HIS 58 2HD HIS 58 -8.214 4.616 -12.587 466 HE1 HIS 58 1HE HIS 58 -12.200 4.411 -14.024 467 HE2 HIS 58 2HE HIS 58 -10.086 5.778 -13.941 468 H ASP 59 H ASP 59 -7.465 0.557 -9.067 469 HA ASP 59 HA ASP 59 -9.532 0.291 -7.169 470 HB2 ASP 59 2HB ASP 59 -6.775 -0.892 -7.398 471 HB3 ASP 59 1HB ASP 59 -7.813 -1.246 -6.019 472 H ALA 60 H ALA 60 -6.258 1.638 -6.936 473 HA ALA 60 HA ALA 60 -6.606 2.365 -4.180 474 HB1 ALA 60 1HB ALA 60 -4.408 3.109 -6.100 475 HB2 ALA 60 2HB ALA 60 -4.409 1.706 -5.032 476 HB3 ALA 60 3HB ALA 60 -4.380 3.332 -4.351 477 H GLU 61 H GLU 61 -7.104 3.830 -7.253 478 HA GLU 61 HA GLU 61 -7.128 6.530 -6.266 479 HB2 GLU 61 2HB GLU 61 -7.355 7.196 -8.453 480 HB3 GLU 61 1HB GLU 61 -6.594 5.627 -8.679 481 HG2 GLU 61 2HG GLU 61 -8.270 5.450 -10.194 482 HG3 GLU 61 1HG GLU 61 -9.100 4.815 -8.775 483 H LYS 62 H LYS 62 -9.379 3.952 -6.598 484 HA LYS 62 HA LYS 62 -11.749 5.525 -6.679 485 HB2 LYS 62 2HB LYS 62 -12.922 3.522 -6.600 486 HB3 LYS 62 1HB LYS 62 -11.405 3.045 -7.349 487 HG2 LYS 62 2HG LYS 62 -10.682 1.907 -5.482 488 HG3 LYS 62 1HG LYS 62 -11.714 2.834 -4.390 489 HD2 LYS 62 2HD LYS 62 -12.285 0.338 -5.085 490 HD3 LYS 62 1HD LYS 62 -13.546 1.539 -4.801 491 HE2 LYS 62 2HE LYS 62 -12.473 1.457 -7.540 492 HE3 LYS 62 1HE LYS 62 -13.356 0.017 -7.034 493 HZ1 LYS 62 3HZ LYS 62 -14.388 2.492 -7.841 494 HZ2 LYS 62 1HZ LYS 62 -14.812 2.259 -6.220 495 HZ3 LYS 62 2HZ LYS 62 -15.236 1.104 -7.380 496 H ILE 63 H ILE 63 -9.536 5.411 -4.345 497 HA ILE 63 HA ILE 63 -11.462 5.406 -2.145 498 HB ILE 63 HB ILE 63 -9.691 3.866 -1.716 499 HG12 ILE 63 2HG1 ILE 63 -8.943 6.333 -0.149 500 HG13 ILE 63 1HG1 ILE 63 -10.463 5.483 0.114 501 HG21 ILE 63 1HG2 ILE 63 -7.374 5.471 -1.543 502 HG22 ILE 63 2HG2 ILE 63 -8.112 5.786 -3.114 503 HG23 ILE 63 3HG2 ILE 63 -7.697 4.136 -2.648 504 HD11 ILE 63 3HD1 ILE 63 -8.783 4.809 1.727 505 HD12 ILE 63 1HD1 ILE 63 -7.710 4.310 0.419 506 HD13 ILE 63 2HD1 ILE 63 -9.232 3.459 0.685 507 H GLN 64 H GLN 64 -11.908 7.233 -1.065 508 HA GLN 64 HA GLN 64 -10.283 9.584 -1.637 509 HB2 GLN 64 2HB GLN 64 -13.211 9.619 -0.941 510 HB3 GLN 64 1HB GLN 64 -12.238 10.958 -1.532 511 HG2 GLN 64 2HG GLN 64 -13.106 10.452 -3.519 512 HG3 GLN 64 1HG GLN 64 -11.928 9.139 -3.529 513 HE21 GLN 64 1HE2 GLN 64 -12.644 7.060 -2.695 514 HE22 GLN 64 2HE2 GLN 64 -14.294 6.595 -2.909 515 H SER 65 H SER 65 -11.386 7.477 0.745 516 HA SER 65 HA SER 65 -10.651 9.403 2.851 517 HB2 SER 65 2HB SER 65 -13.105 8.703 2.770 518 HB3 SER 65 1HB SER 65 -12.557 7.099 3.257 519 HG SER 65 HG SER 65 -12.964 9.261 4.777 520 H ILE 66 H ILE 66 -9.659 8.497 4.753 521 HA ILE 66 HA ILE 66 -7.596 6.678 4.164 522 HB ILE 66 HB ILE 66 -8.510 7.315 6.956 523 HG12 ILE 66 2HG1 ILE 66 -8.218 9.310 5.209 524 HG13 ILE 66 1HG1 ILE 66 -7.677 9.448 6.877 525 HG21 ILE 66 1HG2 ILE 66 -6.746 5.687 6.800 526 HG22 ILE 66 2HG2 ILE 66 -6.077 7.200 7.408 527 HG23 ILE 66 3HG2 ILE 66 -5.820 6.736 5.726 528 HD11 ILE 66 3HD1 ILE 66 -5.960 8.742 4.511 529 HD12 ILE 66 1HD1 ILE 66 -5.410 8.856 6.182 530 HD13 ILE 66 2HD1 ILE 66 -6.002 10.293 5.350 531 HA PRO 67 HA PRO 67 -10.440 3.743 7.029 532 HB2 PRO 67 2HB PRO 67 -13.016 3.978 5.922 533 HB3 PRO 67 1HB PRO 67 -12.504 4.526 7.519 534 HG2 PRO 67 2HG PRO 67 -12.807 6.067 4.993 535 HG3 PRO 67 1HG PRO 67 -13.083 6.582 6.667 536 HD2 PRO 67 2HD PRO 67 -10.913 7.360 5.309 537 HD3 PRO 67 1HD PRO 67 -10.827 6.986 7.043 538 H ASP 68 H ASP 68 -12.238 4.188 3.998 539 HA ASP 68 HA ASP 68 -12.266 1.584 3.174 540 HB2 ASP 68 2HB ASP 68 -12.222 4.154 1.617 541 HB3 ASP 68 1HB ASP 68 -12.279 2.602 0.786 542 H ALA 69 H ALA 69 -9.555 3.633 3.370 543 HA ALA 69 HA ALA 69 -7.942 2.441 1.368 544 HB1 ALA 69 1HB ALA 69 -7.726 4.605 3.163 545 HB2 ALA 69 2HB ALA 69 -6.669 4.196 1.811 546 HB3 ALA 69 3HB ALA 69 -6.327 3.561 3.420 547 H VAL 70 H VAL 70 -6.860 2.512 4.684 548 HA VAL 70 HA VAL 70 -5.549 0.026 4.492 549 HB VAL 70 HB VAL 70 -4.991 1.931 6.080 550 HG11 VAL 70 1HG1 VAL 70 -6.073 2.011 8.211 551 HG12 VAL 70 2HG1 VAL 70 -7.064 0.605 7.820 552 HG13 VAL 70 3HG1 VAL 70 -7.317 2.128 6.968 553 HG21 VAL 70 3HG2 VAL 70 -4.198 0.369 7.855 554 HG22 VAL 70 1HG2 VAL 70 -3.806 -0.146 6.215 555 HG23 VAL 70 2HG2 VAL 70 -5.139 -0.907 7.083 556 H GLU 71 H GLU 71 -8.775 0.862 5.290 557 HA GLU 71 HA GLU 71 -9.442 -1.372 6.884 558 HB2 GLU 71 2HB GLU 71 -11.608 -0.598 6.815 559 HB3 GLU 71 1HB GLU 71 -10.730 0.873 6.422 560 HG2 GLU 71 2HG GLU 71 -11.186 0.574 4.077 561 HG3 GLU 71 1HG GLU 71 -11.947 -0.985 4.391 562 H TYR 72 H TYR 72 -9.594 -0.750 3.404 563 HA TYR 72 HA TYR 72 -10.848 -3.197 2.749 564 HB2 TYR 72 2HB TYR 72 -10.940 -2.322 0.686 565 HB3 TYR 72 1HB TYR 72 -10.207 -0.880 1.378 566 HD1 TYR 72 2HD TYR 72 -8.888 -4.246 0.404 567 HD2 TYR 72 1HD TYR 72 -8.594 -0.023 -0.019 568 HE1 TYR 72 2HE TYR 72 -6.941 -4.535 -1.071 569 HE2 TYR 72 1HE TYR 72 -6.648 -0.300 -1.494 570 HH TYR 72 HH TYR 72 -5.711 -2.068 -2.994 571 H ILE 73 H ILE 73 -7.496 -2.149 2.866 572 HA ILE 73 HA ILE 73 -6.399 -4.552 1.852 573 HB ILE 73 HB ILE 73 -4.565 -3.283 3.642 574 HG12 ILE 73 2HG1 ILE 73 -6.021 -1.316 3.440 575 HG13 ILE 73 1HG1 ILE 73 -4.486 -1.055 2.618 576 HG21 ILE 73 1HG2 ILE 73 -4.444 -2.992 0.682 577 HG22 ILE 73 2HG2 ILE 73 -4.326 -4.602 1.394 578 HG23 ILE 73 3HG2 ILE 73 -3.158 -3.356 1.833 579 HD11 ILE 73 3HD1 ILE 73 -7.210 -1.318 1.508 580 HD12 ILE 73 1HD1 ILE 73 -5.868 -1.939 0.549 581 HD13 ILE 73 2HD1 ILE 73 -5.891 -0.246 1.043 582 H ALA 74 H ALA 74 -7.342 -3.469 5.012 583 HA ALA 74 HA ALA 74 -6.013 -5.433 6.531 584 HB1 ALA 74 1HB ALA 74 -8.014 -3.381 7.000 585 HB2 ALA 74 2HB ALA 74 -6.734 -3.974 8.059 586 HB3 ALA 74 3HB ALA 74 -8.276 -4.825 7.977 587 H GLN 75 H GLN 75 -9.304 -5.264 5.283 588 HA GLN 75 HA GLN 75 -9.951 -7.904 6.158 589 HB2 GLN 75 2HB GLN 75 -11.488 -6.201 4.208 590 HB3 GLN 75 1HB GLN 75 -12.102 -7.543 5.164 591 HG2 GLN 75 2HG GLN 75 -11.980 -6.302 7.165 592 HG3 GLN 75 1HG GLN 75 -11.010 -5.039 6.408 593 HE21 GLN 75 1HE2 GLN 75 -12.004 -3.374 5.435 594 HE22 GLN 75 2HE2 GLN 75 -13.717 -3.207 5.280 595 H ASN 76 H ASN 76 -10.433 -6.669 2.898 596 HA ASN 76 HA ASN 76 -10.450 -8.823 1.393 597 HB2 ASN 76 2HB ASN 76 -9.126 -6.207 0.983 598 HB3 ASN 76 1HB ASN 76 -8.639 -7.492 -0.120 599 HD21 ASN 76 1HD2 ASN 76 -10.624 -4.976 0.152 600 HD22 ASN 76 2HD2 ASN 76 -11.936 -5.492 -0.849 601 HA PRO 77 HA PRO 77 -5.659 -9.666 1.232 602 HB2 PRO 77 2HB PRO 77 -4.764 -7.835 3.403 603 HB3 PRO 77 1HB PRO 77 -3.972 -8.242 1.876 604 HG2 PRO 77 2HG PRO 77 -5.166 -5.888 2.185 605 HG3 PRO 77 1HG PRO 77 -5.283 -6.768 0.651 606 HD2 PRO 77 2HD PRO 77 -7.315 -6.476 2.825 607 HD3 PRO 77 1HD PRO 77 -7.535 -6.497 1.065 608 H MET 78 H MET 78 -7.113 -8.769 4.356 609 HA MET 78 HA MET 78 -5.772 -10.546 6.009 610 HB2 MET 78 2HB MET 78 -7.108 -9.217 7.282 611 HB3 MET 78 1HB MET 78 -8.386 -9.169 6.076 612 HG2 MET 78 2HG MET 78 -9.377 -11.093 6.848 613 HG3 MET 78 1HG MET 78 -7.890 -11.691 7.581 614 HE1 MET 78 3HE MET 78 -8.084 -7.975 9.183 615 HE2 MET 78 1HE MET 78 -9.842 -7.924 9.060 616 HE3 MET 78 2HE MET 78 -8.866 -8.226 7.623 617 H ALA 79 H ALA 79 -7.984 -11.191 3.497 618 HA ALA 79 HA ALA 79 -8.436 -13.904 4.438 619 HB1 ALA 79 1HB ALA 79 -10.132 -12.042 3.195 620 HB2 ALA 79 2HB ALA 79 -10.494 -13.713 3.628 621 HB3 ALA 79 3HB ALA 79 -9.858 -13.335 2.028 622 H LYS 80 H LYS 80 -6.808 -12.029 2.073 623 HA LYS 80 HA LYS 80 -6.229 -13.045 -0.144 624 HB2 LYS 80 2HB LYS 80 -3.751 -13.323 0.367 625 HB3 LYS 80 1HB LYS 80 -4.471 -11.775 0.790 626 HG2 LYS 80 2HG LYS 80 -4.801 -12.986 3.121 627 HG3 LYS 80 1HG LYS 80 -3.428 -13.928 2.539 628 HD2 LYS 80 2HD LYS 80 -2.862 -11.215 1.994 629 HD3 LYS 80 1HD LYS 80 -3.463 -11.295 3.652 630 HE2 LYS 80 2HE LYS 80 -1.344 -13.162 2.624 631 HE3 LYS 80 1HE LYS 80 -0.953 -11.581 3.303 632 HZ1 LYS 80 3HZ LYS 80 -0.901 -13.556 4.865 633 HZ2 LYS 80 1HZ LYS 80 -2.592 -13.549 4.782 634 HZ3 LYS 80 2HZ LYS 80 -1.768 -12.201 5.386 635 H282 PNS 101 8H2 PNS 101 0.388 16.598 -10.481 636 H281 PNS 101 9H2 PNS 101 0.747 14.869 -10.534 637 H303 PNS 101 0H3 PNS 101 2.008 17.819 -8.677 638 H302 PNS 101 1H3 PNS 101 3.652 17.187 -8.583 639 H301 PNS 101 2H3 PNS 101 2.339 16.356 -7.748 640 H313 PNS 101 3H3 PNS 101 4.185 14.999 -9.827 641 H312 PNS 101 4H3 PNS 101 2.831 14.131 -10.552 642 H311 PNS 101 5H3 PNS 101 2.917 14.325 -8.802 643 H32 PNS 101 6H3 PNS 101 1.843 17.160 -11.458 644 H33 PNS 101 7H3 PNS 101 2.877 18.541 -10.097 645 H36 PNS 101 8H3 PNS 101 4.932 15.788 -11.262 646 H372 PNS 101 9H3 PNS 101 4.292 14.099 -13.573 647 H371 PNS 101 0H4 PNS 101 5.502 13.759 -12.337 648 H382 PNS 101 1H4 PNS 101 6.862 14.379 -14.060 649 H381 PNS 101 2H4 PNS 101 5.673 15.486 -14.745 650 H41 PNS 101 3H4 PNS 101 5.030 17.145 -13.192 651 H422 PNS 101 4H4 PNS 101 7.276 18.831 -12.531 652 H421 PNS 101 5H4 PNS 101 5.566 19.259 -12.461 653 H431 PNS 101 7H4 PNS 101 6.635 19.242 -10.234 654 H432 PNS 101 6H4 PNS 101 5.323 18.062 -10.361 655 H44 PNS 101 8H4 PNS 101 8.217 17.410 -9.802 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -4.013 -10.391 9.862 2 H2 MET 1 2HT MET 1 -2.837 -9.926 11.022 3 H3 MET 1 3HT MET 1 -2.813 -9.239 9.451 4 HA MET 1 HA MET 1 -4.998 -8.287 9.887 5 HB2 MET 1 2HB MET 1 -5.015 -8.261 12.676 6 HB3 MET 1 1HB MET 1 -6.112 -9.152 11.628 7 HG2 MET 1 2HG MET 1 -4.247 -10.956 11.650 8 HG3 MET 1 1HG MET 1 -3.701 -10.113 13.098 9 HE1 MET 1 2HE MET 1 -3.857 -12.521 13.875 10 HE2 MET 1 3HE MET 1 -5.285 -13.168 14.684 11 HE3 MET 1 1HE MET 1 -4.465 -11.753 15.342 12 H ASN 2 H ASN 2 -2.964 -8.068 12.779 13 HA ASN 2 HA ASN 2 -2.722 -5.279 12.657 14 HB2 ASN 2 2HB ASN 2 -1.025 -7.322 14.096 15 HB3 ASN 2 1HB ASN 2 -0.898 -5.583 14.344 16 HD21 ASN 2 1HD2 ASN 2 -3.121 -8.309 14.532 17 HD22 ASN 2 2HD2 ASN 2 -4.098 -7.658 15.800 18 H ASP 3 H ASP 3 -0.801 -7.834 11.298 19 HA ASP 3 HA ASP 3 1.578 -6.558 10.754 20 HB2 ASP 3 2HB ASP 3 1.994 -8.221 9.145 21 HB3 ASP 3 1HB ASP 3 0.894 -8.988 10.286 22 H VAL 4 H VAL 4 -1.512 -6.142 9.238 23 HA VAL 4 HA VAL 4 -0.606 -4.821 6.905 24 HB VAL 4 HB VAL 4 -3.264 -4.870 8.223 25 HG11 VAL 4 1HG1 VAL 4 -2.797 -3.878 5.445 26 HG12 VAL 4 2HG1 VAL 4 -2.735 -2.784 6.828 27 HG13 VAL 4 3HG1 VAL 4 -4.218 -3.670 6.468 28 HG21 VAL 4 3HG2 VAL 4 -2.232 -6.942 7.122 29 HG22 VAL 4 1HG2 VAL 4 -2.530 -6.100 5.601 30 HG23 VAL 4 2HG2 VAL 4 -3.877 -6.495 6.670 31 H LEU 5 H LEU 5 -2.170 -3.549 9.836 32 HA LEU 5 HA LEU 5 -1.818 -0.843 9.135 33 HB2 LEU 5 2HB LEU 5 -2.025 -1.584 11.977 34 HB3 LEU 5 1HB LEU 5 -2.856 -0.327 11.091 35 HG LEU 5 HG LEU 5 -4.631 -1.694 11.392 36 HD11 LEU 5 1HD1 LEU 5 -3.437 -2.039 8.887 37 HD12 LEU 5 2HD1 LEU 5 -5.128 -2.291 9.317 38 HD13 LEU 5 3HD1 LEU 5 -3.991 -3.638 9.382 39 HD21 LEU 5 3HD2 LEU 5 -3.771 -4.367 11.174 40 HD22 LEU 5 1HD2 LEU 5 -4.310 -3.513 12.621 41 HD23 LEU 5 2HD2 LEU 5 -2.599 -3.535 12.195 42 H THR 6 H THR 6 0.125 -3.087 10.959 43 HA THR 6 HA THR 6 1.866 -1.261 12.169 44 HB THR 6 HB THR 6 2.007 -3.385 13.066 45 HG1 THR 6 1HG THR 6 4.121 -2.566 12.593 46 HG21 THR 6 3HG2 THR 6 2.812 -5.090 10.949 47 HG22 THR 6 1HG2 THR 6 1.330 -4.259 10.474 48 HG23 THR 6 2HG2 THR 6 1.378 -5.190 11.972 49 H ARG 7 H ARG 7 2.410 -3.194 9.251 50 HA ARG 7 HA ARG 7 4.779 -1.764 8.572 51 HB2 ARG 7 2HB ARG 7 5.116 -3.359 6.977 52 HB3 ARG 7 1HB ARG 7 3.997 -4.238 8.009 53 HG2 ARG 7 2HG ARG 7 3.087 -4.613 5.943 54 HG3 ARG 7 1HG ARG 7 2.185 -3.184 6.452 55 HD2 ARG 7 2HD ARG 7 2.854 -2.194 4.577 56 HD3 ARG 7 1HD ARG 7 4.489 -2.192 5.235 57 HE ARG 7 HE ARG 7 3.420 -3.971 3.210 58 HH11 ARG 7 1HH1 ARG 7 5.989 -3.297 5.462 59 HH12 ARG 7 2HH1 ARG 7 7.143 -4.298 4.646 60 HH21 ARG 7 1HH2 ARG 7 4.931 -5.294 2.128 61 HH22 ARG 7 2HH2 ARG 7 6.542 -5.433 2.750 62 H VAL 8 H VAL 8 1.469 -1.879 7.359 63 HA VAL 8 HA VAL 8 1.848 -0.139 5.189 64 HB VAL 8 HB VAL 8 -0.167 -1.695 5.785 65 HG11 VAL 8 1HG1 VAL 8 -2.070 -0.537 6.733 66 HG12 VAL 8 2HG1 VAL 8 -1.108 0.928 6.934 67 HG13 VAL 8 3HG1 VAL 8 -0.724 -0.515 7.871 68 HG21 VAL 8 3HG2 VAL 8 -1.069 0.871 4.594 69 HG22 VAL 8 1HG2 VAL 8 -1.285 -0.783 4.021 70 HG23 VAL 8 2HG2 VAL 8 0.270 0.025 3.819 71 H LEU 9 H LEU 9 0.576 0.464 8.455 72 HA LEU 9 HA LEU 9 0.168 3.227 8.135 73 HB2 LEU 9 2HB LEU 9 -0.337 3.274 10.375 74 HB3 LEU 9 1HB LEU 9 -0.592 1.579 10.011 75 HG LEU 9 HG LEU 9 1.831 1.239 10.818 76 HD11 LEU 9 1HD1 LEU 9 1.305 4.064 11.592 77 HD12 LEU 9 2HD1 LEU 9 2.793 3.304 11.028 78 HD13 LEU 9 3HD1 LEU 9 2.240 3.041 12.682 79 HD21 LEU 9 3HD2 LEU 9 1.037 1.308 13.233 80 HD22 LEU 9 1HD2 LEU 9 0.084 0.340 12.108 81 HD23 LEU 9 2HD2 LEU 9 -0.485 1.935 12.600 82 H GLU 10 H GLU 10 2.936 1.395 9.364 83 HA GLU 10 HA GLU 10 4.500 3.621 10.091 84 HB2 GLU 10 2HB GLU 10 6.331 2.091 10.286 85 HB3 GLU 10 1HB GLU 10 4.883 1.268 10.850 86 HG2 GLU 10 2HG GLU 10 4.921 -0.238 9.178 87 HG3 GLU 10 1HG GLU 10 5.536 0.918 8.000 88 H VAL 11 H VAL 11 4.042 1.911 7.100 89 HA VAL 11 HA VAL 11 6.229 2.825 5.657 90 HB VAL 11 HB VAL 11 3.607 1.737 4.985 91 HG11 VAL 11 1HG1 VAL 11 5.084 3.578 3.177 92 HG12 VAL 11 2HG1 VAL 11 3.347 3.370 3.395 93 HG13 VAL 11 3HG1 VAL 11 4.270 2.173 2.488 94 HG21 VAL 11 3HG2 VAL 11 5.366 0.595 3.304 95 HG22 VAL 11 1HG2 VAL 11 5.086 0.042 4.956 96 HG23 VAL 11 2HG2 VAL 11 6.449 1.103 4.599 97 H VAL 12 H VAL 12 2.955 4.144 5.707 98 HA VAL 12 HA VAL 12 3.590 6.443 4.171 99 HB VAL 12 HB VAL 12 1.303 5.661 4.263 100 HG11 VAL 12 1HG1 VAL 12 0.127 5.222 6.136 101 HG12 VAL 12 2HG1 VAL 12 0.801 6.597 7.012 102 HG13 VAL 12 3HG1 VAL 12 1.730 5.105 6.865 103 HG21 VAL 12 3HG2 VAL 12 1.105 8.233 5.746 104 HG22 VAL 12 1HG2 VAL 12 0.301 7.718 4.263 105 HG23 VAL 12 2HG2 VAL 12 1.995 8.209 4.223 106 H LYS 13 H LYS 13 3.164 5.902 7.653 107 HA LYS 13 HA LYS 13 3.452 8.504 8.555 108 HB2 LYS 13 2HB LYS 13 3.994 5.816 9.724 109 HB3 LYS 13 1HB LYS 13 4.619 7.221 10.575 110 HG2 LYS 13 2HG LYS 13 2.392 6.421 11.357 111 HG3 LYS 13 1HG LYS 13 2.438 8.121 10.865 112 HD2 LYS 13 2HD LYS 13 1.756 6.244 8.714 113 HD3 LYS 13 1HD LYS 13 0.585 6.301 10.033 114 HE2 LYS 13 2HE LYS 13 1.084 8.945 9.637 115 HE3 LYS 13 1HE LYS 13 1.247 8.313 8.000 116 HZ1 LYS 13 3HZ LYS 13 -0.935 7.853 7.868 117 HZ2 LYS 13 1HZ LYS 13 -1.077 9.015 9.090 118 HZ3 LYS 13 2HZ LYS 13 -1.060 7.370 9.483 119 H ASN 14 H ASN 14 5.986 6.070 8.014 120 HA ASN 14 HA ASN 14 8.064 7.981 8.534 121 HB2 ASN 14 2HB ASN 14 8.349 5.176 7.457 122 HB3 ASN 14 1HB ASN 14 9.603 6.157 8.211 123 HD21 ASN 14 1HD2 ASN 14 7.515 3.688 8.709 124 HD22 ASN 14 2HD2 ASN 14 7.392 3.748 10.431 125 H PHE 15 H PHE 15 6.101 7.407 5.968 126 HA PHE 15 HA PHE 15 7.879 7.429 3.781 127 HB2 PHE 15 2HB PHE 15 5.168 7.162 4.067 128 HB3 PHE 15 1HB PHE 15 5.298 8.766 3.352 129 HD1 PHE 15 2HD PHE 15 6.989 5.470 2.862 130 HD2 PHE 15 1HD PHE 15 4.991 8.782 1.088 131 HE1 PHE 15 2HE PHE 15 7.276 4.449 0.642 132 HE2 PHE 15 1HE PHE 15 5.274 7.767 -1.135 133 HZ PHE 15 HZ PHE 15 6.418 5.598 -1.360 134 H GLU 16 H GLU 16 6.660 9.877 5.876 135 HA GLU 16 HA GLU 16 7.878 11.911 6.172 136 HB2 GLU 16 2HB GLU 16 9.115 12.897 4.497 137 HB3 GLU 16 1HB GLU 16 9.231 11.207 4.043 138 HG2 GLU 16 2HG GLU 16 6.951 12.111 2.770 139 HG3 GLU 16 1HG GLU 16 8.099 13.433 2.621 140 H LYS 17 H LYS 17 5.127 10.916 4.701 141 HA LYS 17 HA LYS 17 4.057 13.353 3.737 142 HB2 LYS 17 2HB LYS 17 3.115 10.621 4.172 143 HB3 LYS 17 1HB LYS 17 1.870 11.830 4.430 144 HG2 LYS 17 2HG LYS 17 3.144 10.925 1.955 145 HG3 LYS 17 1HG LYS 17 1.541 11.613 2.228 146 HD2 LYS 17 2HD LYS 17 4.145 13.110 2.017 147 HD3 LYS 17 1HD LYS 17 2.825 13.114 0.845 148 HE2 LYS 17 2HE LYS 17 2.188 13.891 3.634 149 HE3 LYS 17 1HE LYS 17 3.131 15.031 2.672 150 HZ1 LYS 17 3HZ LYS 17 0.386 14.057 2.219 151 HZ2 LYS 17 1HZ LYS 17 1.304 14.646 0.925 152 HZ3 LYS 17 2HZ LYS 17 0.961 15.647 2.244 153 H VAL 18 H VAL 18 3.610 11.571 6.786 154 HA VAL 18 HA VAL 18 3.550 13.800 8.434 155 HB VAL 18 HB VAL 18 0.823 13.260 8.753 156 HG11 VAL 18 1HG1 VAL 18 1.607 15.391 9.256 157 HG12 VAL 18 2HG1 VAL 18 0.656 15.648 7.793 158 HG13 VAL 18 3HG1 VAL 18 2.415 15.568 7.697 159 HG21 VAL 18 3HG2 VAL 18 -0.209 13.177 6.746 160 HG22 VAL 18 1HG2 VAL 18 1.319 12.467 6.228 161 HG23 VAL 18 2HG2 VAL 18 1.007 14.181 5.959 162 H ASP 19 H ASP 19 2.875 13.315 10.635 163 HA ASP 19 HA ASP 19 3.519 10.661 11.381 164 HB2 ASP 19 2HB ASP 19 2.921 11.454 13.695 165 HB3 ASP 19 1HB ASP 19 4.128 12.436 12.870 166 H ALA 20 H ALA 20 2.223 9.060 12.306 167 HA ALA 20 HA ALA 20 -0.377 8.813 11.244 168 HB1 ALA 20 1HB ALA 20 -0.108 7.003 13.385 169 HB2 ALA 20 2HB ALA 20 1.481 7.157 12.636 170 HB3 ALA 20 3HB ALA 20 0.088 6.686 11.661 171 H SER 21 H SER 21 0.789 10.311 14.081 172 HA SER 21 HA SER 21 -1.455 9.976 15.756 173 HB2 SER 21 2HB SER 21 -0.526 11.914 17.013 174 HB3 SER 21 1HB SER 21 0.680 10.671 16.680 175 HG SER 21 HG SER 21 1.256 11.997 14.811 176 H LYS 22 H LYS 22 -0.921 11.955 13.012 177 HA LYS 22 HA LYS 22 -3.098 13.754 13.708 178 HB2 LYS 22 2HB LYS 22 -2.485 14.739 11.391 179 HB3 LYS 22 1HB LYS 22 -1.390 15.002 12.740 180 HG2 LYS 22 2HG LYS 22 -0.110 14.438 10.805 181 HG3 LYS 22 1HG LYS 22 -0.030 13.093 11.943 182 HD2 LYS 22 2HD LYS 22 -0.363 12.325 9.631 183 HD3 LYS 22 1HD LYS 22 -1.719 11.890 10.672 184 HE2 LYS 22 2HE LYS 22 -3.084 13.594 9.766 185 HE3 LYS 22 1HE LYS 22 -1.715 14.371 8.974 186 HZ1 LYS 22 3HZ LYS 22 -3.424 12.394 7.957 187 HZ2 LYS 22 1HZ LYS 22 -1.863 11.744 8.045 188 HZ3 LYS 22 2HZ LYS 22 -2.138 13.171 7.180 189 H VAL 23 H VAL 23 -3.013 10.771 12.721 190 HA VAL 23 HA VAL 23 -4.799 10.957 10.448 191 HB VAL 23 HB VAL 23 -2.924 9.043 11.366 192 HG11 VAL 23 1HG1 VAL 23 -4.431 6.998 11.001 193 HG12 VAL 23 2HG1 VAL 23 -5.763 8.086 11.394 194 HG13 VAL 23 3HG1 VAL 23 -4.480 7.801 12.572 195 HG21 VAL 23 3HG2 VAL 23 -3.443 7.988 9.171 196 HG22 VAL 23 1HG2 VAL 23 -3.108 9.717 9.081 197 HG23 VAL 23 2HG2 VAL 23 -4.770 9.136 8.988 198 H THR 24 H THR 24 -6.943 10.900 10.631 199 HA THR 24 HA THR 24 -8.104 9.912 13.114 200 HB THR 24 HB THR 24 -8.398 12.412 11.880 201 HG1 THR 24 1HG THR 24 -9.332 11.080 14.089 202 HG21 THR 24 3HG2 THR 24 -11.139 11.319 12.003 203 HG22 THR 24 1HG2 THR 24 -10.196 10.979 10.553 204 HG23 THR 24 2HG2 THR 24 -10.483 12.648 11.047 205 HA PRO 25 HA PRO 25 -10.555 6.933 11.006 206 HB2 PRO 25 2HB PRO 25 -13.107 7.384 11.864 207 HB3 PRO 25 1HB PRO 25 -11.863 6.621 12.861 208 HG2 PRO 25 2HG PRO 25 -12.807 9.461 12.851 209 HG3 PRO 25 1HG PRO 25 -12.430 8.412 14.230 210 HD2 PRO 25 2HD PRO 25 -10.708 10.290 13.345 211 HD3 PRO 25 1HD PRO 25 -10.153 8.748 14.025 212 H GLU 26 H GLU 26 -11.894 10.200 10.860 213 HA GLU 26 HA GLU 26 -13.081 9.588 8.262 214 HB2 GLU 26 2HB GLU 26 -14.237 11.826 8.600 215 HB3 GLU 26 1HB GLU 26 -14.718 10.525 9.681 216 HG2 GLU 26 2HG GLU 26 -12.534 12.290 10.603 217 HG3 GLU 26 1HG GLU 26 -14.152 12.986 10.525 218 H SER 27 H SER 27 -10.193 10.246 8.995 219 HA SER 27 HA SER 27 -9.542 12.787 7.997 220 HB2 SER 27 2HB SER 27 -8.122 10.394 8.812 221 HB3 SER 27 1HB SER 27 -7.365 11.138 7.405 222 HG SER 27 HG SER 27 -6.739 12.748 8.606 223 H HIS 28 H HIS 28 -9.322 13.581 5.997 224 HA HIS 28 HA HIS 28 -10.132 11.963 3.771 225 HB2 HIS 28 2HB HIS 28 -9.755 14.845 4.298 226 HB3 HIS 28 1HB HIS 28 -9.469 14.328 2.639 227 HD1 HIS 28 1HD HIS 28 -11.573 12.805 1.647 228 HD2 HIS 28 2HD HIS 28 -12.349 15.406 4.793 229 HE1 HIS 28 1HE HIS 28 -14.063 13.158 1.627 230 HE2 HIS 28 2HE HIS 28 -14.519 14.665 3.595 231 H PHE 29 H PHE 29 -8.909 11.567 1.890 232 HA PHE 29 HA PHE 29 -6.183 10.976 2.351 233 HB2 PHE 29 2HB PHE 29 -8.004 10.029 0.617 234 HB3 PHE 29 1HB PHE 29 -7.160 11.148 -0.447 235 HD1 PHE 29 1HD PHE 29 -4.409 10.854 0.783 236 HD2 PHE 29 2HD PHE 29 -7.345 7.989 -0.351 237 HE1 PHE 29 1HE PHE 29 -2.637 9.183 0.432 238 HE2 PHE 29 2HE PHE 29 -5.579 6.312 -0.702 239 HZ PHE 29 HZ PHE 29 -3.221 6.909 -0.310 240 H VAL 30 H VAL 30 -5.563 11.843 -0.537 241 HA VAL 30 HA VAL 30 -3.792 13.793 -0.220 242 HB VAL 30 HB VAL 30 -5.626 14.251 -2.520 243 HG11 VAL 30 1HG1 VAL 30 -3.603 14.578 -3.731 244 HG12 VAL 30 2HG1 VAL 30 -2.639 13.875 -2.431 245 HG13 VAL 30 3HG1 VAL 30 -3.435 15.431 -2.196 246 HG21 VAL 30 3HG2 VAL 30 -4.235 11.684 -1.907 247 HG22 VAL 30 1HG2 VAL 30 -4.340 12.231 -3.581 248 HG23 VAL 30 2HG2 VAL 30 -5.811 11.962 -2.647 249 H LYS 31 H LYS 31 -7.224 14.251 -0.133 250 HA LYS 31 HA LYS 31 -7.272 17.067 -0.281 251 HB2 LYS 31 2HB LYS 31 -9.308 15.491 1.260 252 HB3 LYS 31 1HB LYS 31 -9.538 16.928 0.273 253 HG2 LYS 31 2HG LYS 31 -9.289 14.080 -0.553 254 HG3 LYS 31 1HG LYS 31 -10.453 15.305 -1.061 255 HD2 LYS 31 2HD LYS 31 -9.062 16.164 -2.648 256 HD3 LYS 31 1HD LYS 31 -7.603 15.770 -1.737 257 HE2 LYS 31 2HE LYS 31 -7.348 13.839 -2.818 258 HE3 LYS 31 1HE LYS 31 -9.029 13.387 -2.540 259 HZ1 LYS 31 3HZ LYS 31 -7.924 14.032 -4.941 260 HZ2 LYS 31 1HZ LYS 31 -8.756 15.441 -4.514 261 HZ3 LYS 31 2HZ LYS 31 -9.579 13.966 -4.601 262 H ASP 32 H ASP 32 -7.207 14.834 2.474 263 HA ASP 32 HA ASP 32 -7.058 17.013 4.347 264 HB2 ASP 32 2HB ASP 32 -8.032 14.436 4.502 265 HB3 ASP 32 1HB ASP 32 -6.528 14.346 5.412 266 H LEU 33 H LEU 33 -4.890 16.003 2.309 267 HA LEU 33 HA LEU 33 -2.632 16.773 2.491 268 HB2 LEU 33 2HB LEU 33 -2.763 15.653 5.292 269 HB3 LEU 33 1HB LEU 33 -1.387 16.463 4.566 270 HG LEU 33 HG LEU 33 -3.962 17.954 4.716 271 HD11 LEU 33 1HD1 LEU 33 -3.897 17.087 6.927 272 HD12 LEU 33 2HD1 LEU 33 -3.285 18.739 7.001 273 HD13 LEU 33 3HD1 LEU 33 -2.163 17.378 7.060 274 HD21 LEU 33 3HD2 LEU 33 -2.604 19.558 4.010 275 HD22 LEU 33 1HD2 LEU 33 -1.211 18.484 4.150 276 HD23 LEU 33 2HD2 LEU 33 -1.722 19.450 5.534 277 H GLY 34 H GLY 34 -3.828 14.463 1.411 278 HA2 GLY 34 2HA GLY 34 -2.588 12.061 2.214 279 HA3 GLY 34 1HA GLY 34 -3.291 12.370 0.633 280 H LEU 35 H LEU 35 -1.051 10.798 0.890 281 HA LEU 35 HA LEU 35 1.384 12.194 0.597 282 HB2 LEU 35 2HB LEU 35 1.303 9.660 -0.820 283 HB3 LEU 35 1HB LEU 35 2.289 10.150 0.545 284 HG LEU 35 HG LEU 35 -0.532 9.082 0.688 285 HD11 LEU 35 1HD1 LEU 35 1.721 7.725 2.019 286 HD12 LEU 35 2HD1 LEU 35 1.692 7.637 0.259 287 HD13 LEU 35 3HD1 LEU 35 0.315 7.054 1.194 288 HD21 LEU 35 3HD2 LEU 35 1.356 9.929 2.883 289 HD22 LEU 35 1HD2 LEU 35 -0.191 9.116 3.118 290 HD23 LEU 35 2HD2 LEU 35 -0.143 10.736 2.425 291 H ASN 36 H ASN 36 2.501 12.878 -1.184 292 HA ASN 36 HA ASN 36 1.232 13.960 -3.337 293 HB2 ASN 36 2HB ASN 36 3.643 14.288 -2.674 294 HB3 ASN 36 1HB ASN 36 4.008 12.771 -3.488 295 HD21 ASN 36 1HD2 ASN 36 4.116 12.704 -5.666 296 HD22 ASN 36 2HD2 ASN 36 3.996 14.098 -6.681 297 H SER 37 H SER 37 1.911 13.234 -5.740 298 HA SER 37 HA SER 37 0.327 10.980 -6.320 299 HB2 SER 37 2HB SER 37 2.350 12.024 -8.267 300 HB3 SER 37 1HB SER 37 0.708 11.455 -8.567 301 H LEU 38 H LEU 38 3.788 11.457 -6.846 302 HA LEU 38 HA LEU 38 4.387 8.785 -7.420 303 HB2 LEU 38 2HB LEU 38 6.644 9.390 -7.317 304 HB3 LEU 38 1HB LEU 38 5.821 10.851 -7.808 305 HG LEU 38 HG LEU 38 7.467 10.360 -5.496 306 HD11 LEU 38 1HD1 LEU 38 6.342 12.945 -6.521 307 HD12 LEU 38 2HD1 LEU 38 7.702 12.118 -7.281 308 HD13 LEU 38 3HD1 LEU 38 7.835 12.687 -5.617 309 HD21 LEU 38 3HD2 LEU 38 5.905 12.071 -4.198 310 HD22 LEU 38 1HD2 LEU 38 5.752 10.326 -4.004 311 HD23 LEU 38 2HD2 LEU 38 4.659 11.193 -5.082 312 H ASP 39 H ASP 39 3.495 10.226 -4.511 313 HA ASP 39 HA ASP 39 4.939 8.500 -2.734 314 HB2 ASP 39 2HB ASP 39 2.733 10.504 -2.415 315 HB3 ASP 39 1HB ASP 39 3.116 9.403 -1.096 316 H VAL 40 H VAL 40 1.463 8.874 -2.643 317 HA VAL 40 HA VAL 40 0.713 6.475 -1.701 318 HB VAL 40 HB VAL 40 -0.649 8.541 -2.890 319 HG11 VAL 40 1HG1 VAL 40 -0.265 6.985 -5.018 320 HG12 VAL 40 2HG1 VAL 40 -1.737 7.930 -4.787 321 HG13 VAL 40 3HG1 VAL 40 -1.716 6.214 -4.379 322 HG21 VAL 40 3HG2 VAL 40 -2.286 7.765 -1.583 323 HG22 VAL 40 1HG2 VAL 40 -1.166 6.476 -1.141 324 HG23 VAL 40 2HG2 VAL 40 -2.343 6.220 -2.430 325 H VAL 41 H VAL 41 1.840 7.127 -4.949 326 HA VAL 41 HA VAL 41 1.080 4.679 -6.128 327 HB VAL 41 HB VAL 41 3.445 6.378 -6.916 328 HG11 VAL 41 1HG1 VAL 41 2.632 3.948 -7.886 329 HG12 VAL 41 2HG1 VAL 41 3.601 5.130 -8.765 330 HG13 VAL 41 3HG1 VAL 41 1.852 5.081 -8.988 331 HG21 VAL 41 3HG2 VAL 41 0.903 6.735 -8.346 332 HG22 VAL 41 1HG2 VAL 41 2.104 7.926 -7.848 333 HG23 VAL 41 2HG2 VAL 41 0.917 7.334 -6.687 334 H GLU 42 H GLU 42 4.105 5.738 -4.588 335 HA GLU 42 HA GLU 42 5.453 3.284 -5.029 336 HB2 GLU 42 2HB GLU 42 5.972 5.732 -3.416 337 HB3 GLU 42 1HB GLU 42 6.893 4.281 -3.044 338 HG2 GLU 42 2HG GLU 42 7.248 4.307 -5.675 339 HG3 GLU 42 1HG GLU 42 6.981 6.031 -5.427 340 H VAL 43 H VAL 43 3.673 4.641 -2.338 341 HA VAL 43 HA VAL 43 4.193 2.585 -0.485 342 HB VAL 43 HB VAL 43 3.315 4.257 0.728 343 HG11 VAL 43 1HG1 VAL 43 1.724 5.934 -0.166 344 HG12 VAL 43 2HG1 VAL 43 1.712 5.050 -1.690 345 HG13 VAL 43 3HG1 VAL 43 3.203 5.794 -1.114 346 HG21 VAL 43 3HG2 VAL 43 1.687 2.464 1.038 347 HG22 VAL 43 1HG2 VAL 43 0.722 3.144 -0.264 348 HG23 VAL 43 2HG2 VAL 43 0.953 4.057 1.219 349 H VAL 44 H VAL 44 1.697 3.060 -2.893 350 HA VAL 44 HA VAL 44 -0.007 0.961 -2.137 351 HB VAL 44 HB VAL 44 -0.774 0.996 -4.529 352 HG11 VAL 44 1HG1 VAL 44 -1.034 2.952 -2.511 353 HG12 VAL 44 2HG1 VAL 44 -2.170 2.552 -3.798 354 HG13 VAL 44 3HG1 VAL 44 -0.949 3.798 -4.056 355 HG21 VAL 44 3HG2 VAL 44 0.106 2.593 -6.063 356 HG22 VAL 44 1HG2 VAL 44 1.466 1.656 -5.442 357 HG23 VAL 44 2HG2 VAL 44 1.162 3.282 -4.830 358 H PHE 45 H PHE 45 2.800 1.067 -4.285 359 HA PHE 45 HA PHE 45 2.602 -1.614 -5.169 360 HB2 PHE 45 2HB PHE 45 4.807 0.426 -5.152 361 HB3 PHE 45 1HB PHE 45 5.128 -1.232 -5.650 362 HD1 PHE 45 2HD PHE 45 3.516 -2.185 -7.472 363 HD2 PHE 45 1HD PHE 45 4.129 1.960 -6.727 364 HE1 PHE 45 2HE PHE 45 2.710 -1.662 -9.738 365 HE2 PHE 45 1HE PHE 45 3.323 2.490 -8.992 366 HZ PHE 45 HZ PHE 45 2.613 0.677 -10.499 367 H ALA 46 H ALA 46 3.836 -0.105 -2.331 368 HA ALA 46 HA ALA 46 5.558 -2.160 -1.443 369 HB1 ALA 46 1HB ALA 46 5.365 -1.062 0.764 370 HB2 ALA 46 2HB ALA 46 4.113 -0.016 0.095 371 HB3 ALA 46 3HB ALA 46 5.757 0.060 -0.539 372 H ILE 47 H ILE 47 2.711 -1.217 0.367 373 HA ILE 47 HA ILE 47 2.244 -3.583 1.656 374 HB ILE 47 HB ILE 47 -0.318 -2.725 1.287 375 HG12 ILE 47 2HG1 ILE 47 1.072 -0.854 -0.115 376 HG13 ILE 47 1HG1 ILE 47 -0.478 -0.556 0.664 377 HG21 ILE 47 1HG2 ILE 47 1.418 -1.249 3.209 378 HG22 ILE 47 2HG2 ILE 47 1.257 -2.999 3.358 379 HG23 ILE 47 3HG2 ILE 47 -0.172 -1.972 3.452 380 HD11 ILE 47 3HD1 ILE 47 0.435 0.981 1.962 381 HD12 ILE 47 1HD1 ILE 47 1.955 0.762 1.096 382 HD13 ILE 47 2HD1 ILE 47 1.631 -0.173 2.555 383 H GLU 48 H GLU 48 1.199 -2.658 -1.586 384 HA GLU 48 HA GLU 48 -0.571 -4.735 -2.103 385 HB2 GLU 48 2HB GLU 48 1.288 -3.186 -3.893 386 HB3 GLU 48 1HB GLU 48 0.233 -4.439 -4.531 387 HG2 GLU 48 2HG GLU 48 -0.486 -1.906 -4.482 388 HG3 GLU 48 1HG GLU 48 -1.649 -3.208 -4.238 389 H GLN 49 H GLN 49 2.908 -4.621 -2.150 390 HA GLN 49 HA GLN 49 3.342 -7.161 -3.328 391 HB2 GLN 49 2HB GLN 49 4.940 -5.038 -2.246 392 HB3 GLN 49 1HB GLN 49 5.481 -6.566 -1.564 393 HG2 GLN 49 2HG GLN 49 5.904 -7.469 -3.725 394 HG3 GLN 49 1HG GLN 49 5.128 -6.096 -4.511 395 HE21 GLN 49 1HE2 GLN 49 6.241 -4.053 -2.940 396 HE22 GLN 49 2HE2 GLN 49 7.926 -3.948 -3.304 397 H GLU 50 H GLU 50 2.946 -6.016 -0.019 398 HA GLU 50 HA GLU 50 3.100 -8.755 0.946 399 HB2 GLU 50 2HB GLU 50 4.535 -7.165 2.110 400 HB3 GLU 50 1HB GLU 50 3.149 -6.142 2.454 401 HG2 GLU 50 2HG GLU 50 3.303 -7.208 4.442 402 HG3 GLU 50 1HG GLU 50 2.268 -8.360 3.603 403 H PHE 51 H PHE 51 0.837 -7.830 -0.531 404 HA PHE 51 HA PHE 51 -1.218 -8.339 1.442 405 HB2 PHE 51 2HB PHE 51 -1.117 -5.969 -0.386 406 HB3 PHE 51 1HB PHE 51 -2.663 -6.606 0.162 407 HD1 PHE 51 2HD PHE 51 -1.060 -7.453 2.877 408 HD2 PHE 51 1HD PHE 51 -1.874 -3.859 0.750 409 HE1 PHE 51 2HE PHE 51 -0.840 -6.172 4.965 410 HE2 PHE 51 1HE PHE 51 -1.657 -2.571 2.833 411 HZ PHE 51 HZ PHE 51 -1.137 -3.727 4.945 412 H ILE 52 H ILE 52 0.043 -8.853 -1.676 413 HA ILE 52 HA ILE 52 -0.564 -10.246 -3.363 414 HB ILE 52 HB ILE 52 -2.968 -11.335 -2.074 415 HG12 ILE 52 2HG1 ILE 52 -0.798 -12.561 -0.716 416 HG13 ILE 52 1HG1 ILE 52 -0.659 -10.823 -0.474 417 HG21 ILE 52 1HG2 ILE 52 -2.303 -13.263 -3.061 418 HG22 ILE 52 2HG2 ILE 52 -0.596 -12.977 -2.721 419 HG23 ILE 52 3HG2 ILE 52 -1.380 -12.142 -4.062 420 HD11 ILE 52 3HD1 ILE 52 -2.792 -12.695 0.403 421 HD12 ILE 52 1HD1 ILE 52 -3.203 -11.008 0.091 422 HD13 ILE 52 2HD1 ILE 52 -1.976 -11.408 1.294 423 H LEU 53 H LEU 53 -1.636 -7.584 -3.234 424 HA LEU 53 HA LEU 53 -3.592 -7.791 -5.274 425 HB2 LEU 53 2HB LEU 53 -4.807 -8.148 -2.977 426 HB3 LEU 53 1HB LEU 53 -4.656 -6.406 -2.849 427 HG LEU 53 HG LEU 53 -6.181 -6.003 -4.506 428 HD11 LEU 53 1HD1 LEU 53 -6.698 -7.544 -6.339 429 HD12 LEU 53 2HD1 LEU 53 -5.560 -8.714 -5.669 430 HD13 LEU 53 3HD1 LEU 53 -4.977 -7.162 -6.269 431 HD21 LEU 53 3HD2 LEU 53 -7.585 -8.470 -4.304 432 HD22 LEU 53 1HD2 LEU 53 -7.931 -6.933 -3.512 433 HD23 LEU 53 2HD2 LEU 53 -6.862 -8.103 -2.739 434 H ASP 54 H ASP 54 -3.572 -5.998 -6.512 435 HA ASP 54 HA ASP 54 -1.752 -3.902 -5.810 436 HB2 ASP 54 2HB ASP 54 -3.498 -4.171 -8.261 437 HB3 ASP 54 1HB ASP 54 -2.137 -3.071 -8.067 438 H ILE 55 H ILE 55 -2.221 -1.755 -5.434 439 HA ILE 55 HA ILE 55 -4.987 -1.201 -4.701 440 HB ILE 55 HB ILE 55 -2.369 -0.059 -3.830 441 HG12 ILE 55 2HG1 ILE 55 -4.855 -1.026 -2.402 442 HG13 ILE 55 1HG1 ILE 55 -3.312 -1.868 -2.516 443 HG21 ILE 55 1HG2 ILE 55 -3.791 1.846 -4.536 444 HG22 ILE 55 2HG2 ILE 55 -3.436 1.837 -2.809 445 HG23 ILE 55 3HG2 ILE 55 -5.017 1.309 -3.387 446 HD11 ILE 55 3HD1 ILE 55 -4.034 0.536 -0.901 447 HD12 ILE 55 1HD1 ILE 55 -2.354 0.211 -1.330 448 HD13 ILE 55 2HD1 ILE 55 -3.268 -0.969 -0.392 449 HA PRO 56 HA PRO 56 -3.216 2.508 -7.569 450 HB2 PRO 56 2HB PRO 56 -2.165 0.513 -9.527 451 HB3 PRO 56 1HB PRO 56 -1.579 2.138 -9.152 452 HG2 PRO 56 2HG PRO 56 -0.310 -0.008 -8.222 453 HG3 PRO 56 1HG PRO 56 -0.492 1.446 -7.224 454 HD2 PRO 56 2HD PRO 56 -1.913 -1.165 -7.048 455 HD3 PRO 56 1HD PRO 56 -1.460 -0.035 -5.757 456 H ASP 57 H ASP 57 -3.662 2.487 -10.237 457 HA ASP 57 HA ASP 57 -5.298 2.429 -11.815 458 HB2 ASP 57 2HB ASP 57 -6.013 -0.196 -10.488 459 HB3 ASP 57 1HB ASP 57 -6.589 0.343 -12.062 460 H HIS 58 H HIS 58 -7.821 2.099 -12.039 461 HA HIS 58 HA HIS 58 -9.150 4.023 -10.714 462 HB2 HIS 58 2HB HIS 58 -11.084 1.999 -10.927 463 HB3 HIS 58 1HB HIS 58 -10.727 3.258 -12.104 464 HD1 HIS 58 1HD HIS 58 -10.581 2.213 -14.333 465 HD2 HIS 58 2HD HIS 58 -8.856 -0.173 -11.400 466 HE1 HIS 58 1HE HIS 58 -9.650 0.218 -15.550 467 HE2 HIS 58 2HE HIS 58 -8.683 -1.250 -13.745 468 H ASP 59 H ASP 59 -8.232 0.954 -9.409 469 HA ASP 59 HA ASP 59 -10.023 0.786 -7.253 470 HB2 ASP 59 2HB ASP 59 -7.383 -0.403 -7.925 471 HB3 ASP 59 1HB ASP 59 -7.882 -0.464 -6.237 472 H ALA 60 H ALA 60 -6.810 2.270 -7.507 473 HA ALA 60 HA ALA 60 -6.777 3.147 -4.795 474 HB1 ALA 60 1HB ALA 60 -5.074 4.064 -7.106 475 HB2 ALA 60 2HB ALA 60 -4.715 2.696 -6.051 476 HB3 ALA 60 3HB ALA 60 -4.747 4.333 -5.393 477 H GLU 61 H GLU 61 -7.967 4.416 -7.772 478 HA GLU 61 HA GLU 61 -8.133 7.137 -6.881 479 HB2 GLU 61 2HB GLU 61 -9.296 5.707 -9.270 480 HB3 GLU 61 1HB GLU 61 -9.511 7.425 -8.971 481 HG2 GLU 61 2HG GLU 61 -6.902 5.998 -9.430 482 HG3 GLU 61 1HG GLU 61 -7.732 7.069 -10.557 483 H LYS 62 H LYS 62 -10.144 4.320 -6.773 484 HA LYS 62 HA LYS 62 -12.610 5.669 -6.321 485 HB2 LYS 62 2HB LYS 62 -11.645 2.865 -6.221 486 HB3 LYS 62 1HB LYS 62 -13.082 3.240 -5.280 487 HG2 LYS 62 2HG LYS 62 -14.021 4.265 -7.407 488 HG3 LYS 62 1HG LYS 62 -12.684 3.473 -8.244 489 HD2 LYS 62 2HD LYS 62 -14.300 1.814 -6.392 490 HD3 LYS 62 1HD LYS 62 -15.063 2.310 -7.905 491 HE2 LYS 62 2HE LYS 62 -13.900 0.801 -9.050 492 HE3 LYS 62 1HE LYS 62 -12.380 1.408 -8.396 493 HZ1 LYS 62 3HZ LYS 62 -12.239 -0.313 -7.022 494 HZ2 LYS 62 1HZ LYS 62 -13.519 -1.023 -7.872 495 HZ3 LYS 62 2HZ LYS 62 -13.828 -0.123 -6.474 496 H ILE 63 H ILE 63 -9.898 5.419 -4.447 497 HA ILE 63 HA ILE 63 -11.398 5.468 -1.937 498 HB ILE 63 HB ILE 63 -9.135 4.044 -2.564 499 HG12 ILE 63 2HG1 ILE 63 -9.247 4.609 0.274 500 HG13 ILE 63 1HG1 ILE 63 -10.866 4.407 -0.390 501 HG21 ILE 63 1HG2 ILE 63 -7.880 6.212 -2.533 502 HG22 ILE 63 2HG2 ILE 63 -7.270 4.985 -1.423 503 HG23 ILE 63 3HG2 ILE 63 -8.243 6.322 -0.811 504 HD11 ILE 63 3HD1 ILE 63 -8.644 2.433 -0.821 505 HD12 ILE 63 1HD1 ILE 63 -10.360 2.225 -1.167 506 HD13 ILE 63 2HD1 ILE 63 -9.803 2.331 0.503 507 H GLN 64 H GLN 64 -11.719 7.374 -0.999 508 HA GLN 64 HA GLN 64 -9.884 9.555 -1.610 509 HB2 GLN 64 2HB GLN 64 -12.780 9.884 -0.856 510 HB3 GLN 64 1HB GLN 64 -11.690 11.114 -1.483 511 HG2 GLN 64 2HG GLN 64 -12.588 10.682 -3.466 512 HG3 GLN 64 1HG GLN 64 -11.634 9.199 -3.445 513 HE21 GLN 64 1HE2 GLN 64 -12.669 7.286 -2.527 514 HE22 GLN 64 2HE2 GLN 64 -14.373 7.084 -2.731 515 H SER 65 H SER 65 -11.133 7.567 0.795 516 HA SER 65 HA SER 65 -10.320 9.462 2.899 517 HB2 SER 65 2HB SER 65 -11.931 7.083 3.639 518 HB3 SER 65 1HB SER 65 -12.015 8.737 4.245 519 HG SER 65 HG SER 65 -13.849 8.311 3.033 520 H ILE 66 H ILE 66 -9.044 8.715 4.611 521 HA ILE 66 HA ILE 66 -7.028 6.884 3.938 522 HB ILE 66 HB ILE 66 -7.724 7.726 6.746 523 HG12 ILE 66 2HG1 ILE 66 -7.450 9.546 4.816 524 HG13 ILE 66 1HG1 ILE 66 -6.797 9.798 6.432 525 HG21 ILE 66 1HG2 ILE 66 -4.961 7.356 5.697 526 HG22 ILE 66 2HG2 ILE 66 -5.926 5.934 6.095 527 HG23 ILE 66 3HG2 ILE 66 -5.584 7.143 7.333 528 HD11 ILE 66 3HD1 ILE 66 -5.315 10.304 4.401 529 HD12 ILE 66 1HD1 ILE 66 -5.132 8.554 4.285 530 HD13 ILE 66 2HD1 ILE 66 -4.620 9.399 5.746 531 HA PRO 67 HA PRO 67 -9.417 4.007 7.201 532 HB2 PRO 67 2HB PRO 67 -12.150 4.250 6.659 533 HB3 PRO 67 1HB PRO 67 -11.316 4.878 8.083 534 HG2 PRO 67 2HG PRO 67 -12.113 6.283 5.578 535 HG3 PRO 67 1HG PRO 67 -12.095 6.881 7.246 536 HD2 PRO 67 2HD PRO 67 -10.204 7.593 5.494 537 HD3 PRO 67 1HD PRO 67 -9.810 7.302 7.201 538 H ASP 68 H ASP 68 -11.872 4.384 4.687 539 HA ASP 68 HA ASP 68 -12.074 1.816 3.872 540 HB2 ASP 68 2HB ASP 68 -12.830 4.337 2.814 541 HB3 ASP 68 1HB ASP 68 -12.119 3.415 1.492 542 H ALA 69 H ALA 69 -9.383 3.880 3.383 543 HA ALA 69 HA ALA 69 -8.207 2.647 1.143 544 HB1 ALA 69 1HB ALA 69 -6.751 4.301 1.378 545 HB2 ALA 69 2HB ALA 69 -6.217 3.663 2.934 546 HB3 ALA 69 3HB ALA 69 -7.587 4.773 2.857 547 H VAL 70 H VAL 70 -6.656 2.555 4.285 548 HA VAL 70 HA VAL 70 -5.401 0.078 3.803 549 HB VAL 70 HB VAL 70 -4.271 1.432 5.327 550 HG11 VAL 70 1HG1 VAL 70 -5.288 2.976 6.556 551 HG12 VAL 70 2HG1 VAL 70 -6.100 1.734 7.510 552 HG13 VAL 70 3HG1 VAL 70 -6.842 2.330 6.025 553 HG21 VAL 70 3HG2 VAL 70 -4.068 0.138 7.317 554 HG22 VAL 70 1HG2 VAL 70 -4.448 -0.976 6.004 555 HG23 VAL 70 2HG2 VAL 70 -5.705 -0.495 7.144 556 H GLU 71 H GLU 71 -8.540 0.847 4.858 557 HA GLU 71 HA GLU 71 -9.072 -1.388 6.502 558 HB2 GLU 71 2HB GLU 71 -10.760 0.585 5.013 559 HB3 GLU 71 1HB GLU 71 -11.513 -0.841 5.713 560 HG2 GLU 71 2HG GLU 71 -9.910 1.220 7.209 561 HG3 GLU 71 1HG GLU 71 -11.667 1.079 7.198 562 H TYR 72 H TYR 72 -9.801 -0.747 3.077 563 HA TYR 72 HA TYR 72 -10.874 -3.296 2.550 564 HB2 TYR 72 2HB TYR 72 -11.406 -2.318 0.613 565 HB3 TYR 72 1HB TYR 72 -10.506 -0.895 1.128 566 HD1 TYR 72 1HD TYR 72 -8.224 -0.515 0.342 567 HD2 TYR 72 2HD TYR 72 -10.465 -3.885 -0.968 568 HE1 TYR 72 1HE TYR 72 -6.617 -0.866 -1.486 569 HE2 TYR 72 2HE TYR 72 -8.864 -4.246 -2.800 570 HH TYR 72 HH TYR 72 -6.340 -1.938 -3.516 571 H ILE 73 H ILE 73 -7.647 -1.966 2.281 572 HA ILE 73 HA ILE 73 -6.463 -4.152 0.962 573 HB ILE 73 HB ILE 73 -4.963 -2.392 2.832 574 HG12 ILE 73 2HG1 ILE 73 -5.294 -1.560 -0.001 575 HG13 ILE 73 1HG1 ILE 73 -6.643 -1.258 1.089 576 HG21 ILE 73 1HG2 ILE 73 -4.189 -3.545 0.166 577 HG22 ILE 73 2HG2 ILE 73 -3.837 -4.304 1.718 578 HG23 ILE 73 3HG2 ILE 73 -3.136 -2.735 1.325 579 HD11 ILE 73 3HD1 ILE 73 -4.388 -0.377 2.463 580 HD12 ILE 73 1HD1 ILE 73 -5.625 0.611 1.686 581 HD13 ILE 73 2HD1 ILE 73 -4.167 0.166 0.799 582 H ALA 74 H ALA 74 -6.552 -3.256 4.369 583 HA ALA 74 HA ALA 74 -5.084 -5.366 5.407 584 HB1 ALA 74 1HB ALA 74 -6.565 -3.250 6.447 585 HB2 ALA 74 2HB ALA 74 -5.552 -4.381 7.345 586 HB3 ALA 74 3HB ALA 74 -7.277 -4.700 7.154 587 H GLN 75 H GLN 75 -8.470 -5.187 4.553 588 HA GLN 75 HA GLN 75 -9.073 -7.807 5.528 589 HB2 GLN 75 2HB GLN 75 -10.690 -6.007 3.719 590 HB3 GLN 75 1HB GLN 75 -11.282 -7.448 4.534 591 HG2 GLN 75 2HG GLN 75 -10.677 -4.757 5.630 592 HG3 GLN 75 1HG GLN 75 -12.046 -5.824 5.939 593 HE21 GLN 75 1HE2 GLN 75 -9.723 -4.404 7.505 594 HE22 GLN 75 2HE2 GLN 75 -9.271 -5.613 8.654 595 H ASN 76 H ASN 76 -7.720 -6.505 2.694 596 HA ASN 76 HA ASN 76 -8.609 -8.359 0.776 597 HB2 ASN 76 2HB ASN 76 -6.421 -6.387 0.980 598 HB3 ASN 76 1HB ASN 76 -6.130 -7.723 -0.124 599 HD21 ASN 76 1HD2 ASN 76 -9.254 -6.414 0.608 600 HD22 ASN 76 2HD2 ASN 76 -9.567 -5.739 -0.951 601 HA PRO 77 HA PRO 77 -4.669 -10.996 1.605 602 HB2 PRO 77 2HB PRO 77 -3.381 -9.760 3.941 603 HB3 PRO 77 1HB PRO 77 -2.674 -10.243 2.397 604 HG2 PRO 77 2HG PRO 77 -3.003 -7.658 3.068 605 HG3 PRO 77 1HG PRO 77 -3.148 -8.225 1.394 606 HD2 PRO 77 2HD PRO 77 -5.300 -7.545 3.362 607 HD3 PRO 77 1HD PRO 77 -5.208 -7.200 1.622 608 H MET 78 H MET 78 -6.103 -9.478 4.466 609 HA MET 78 HA MET 78 -5.873 -11.708 6.178 610 HB2 MET 78 2HB MET 78 -6.283 -9.534 7.115 611 HB3 MET 78 1HB MET 78 -7.770 -9.360 6.194 612 HG2 MET 78 2HG MET 78 -8.719 -9.978 8.128 613 HG3 MET 78 1HG MET 78 -8.341 -11.600 7.550 614 HE1 MET 78 3HE MET 78 -7.999 -11.246 11.418 615 HE2 MET 78 1HE MET 78 -9.057 -10.483 10.230 616 HE3 MET 78 2HE MET 78 -7.802 -9.537 11.029 617 H ALA 79 H ALA 79 -7.940 -11.050 3.543 618 HA ALA 79 HA ALA 79 -9.996 -12.879 4.388 619 HB1 ALA 79 1HB ALA 79 -10.423 -10.738 3.094 620 HB2 ALA 79 2HB ALA 79 -11.233 -12.192 2.512 621 HB3 ALA 79 3HB ALA 79 -9.793 -11.595 1.687 622 H LYS 80 H LYS 80 -7.339 -12.745 2.134 623 HA LYS 80 HA LYS 80 -7.944 -15.159 0.778 624 HB2 LYS 80 2HB LYS 80 -5.509 -14.993 0.050 625 HB3 LYS 80 1HB LYS 80 -6.563 -13.658 -0.396 626 HG2 LYS 80 2HG LYS 80 -4.539 -12.703 0.341 627 HG3 LYS 80 1HG LYS 80 -5.708 -12.450 1.638 628 HD2 LYS 80 2HD LYS 80 -3.761 -13.164 2.728 629 HD3 LYS 80 1HD LYS 80 -4.778 -14.603 2.654 630 HE2 LYS 80 2HE LYS 80 -3.338 -14.679 0.291 631 HE3 LYS 80 1HE LYS 80 -2.169 -14.104 1.481 632 HZ1 LYS 80 3HZ LYS 80 -2.843 -16.025 2.888 633 HZ2 LYS 80 1HZ LYS 80 -2.081 -16.463 1.442 634 HZ3 LYS 80 2HZ LYS 80 -3.759 -16.606 1.591 635 H282 PNS 101 8H2 PNS 101 1.683 15.806 -9.689 636 H281 PNS 101 9H2 PNS 101 1.396 15.583 -11.418 637 H303 PNS 101 0H3 PNS 101 4.366 16.149 -9.115 638 H302 PNS 101 1H3 PNS 101 3.210 17.212 -9.916 639 H301 PNS 101 2H3 PNS 101 4.785 16.911 -10.649 640 H313 PNS 101 3H3 PNS 101 5.142 14.083 -10.544 641 H312 PNS 101 4H3 PNS 101 3.657 13.182 -10.851 642 H311 PNS 101 5H3 PNS 101 3.929 13.922 -9.273 643 H32 PNS 101 6H3 PNS 101 2.733 15.954 -12.567 644 H33 PNS 101 7H3 PNS 101 5.401 16.372 -12.198 645 H36 PNS 101 8H3 PNS 101 5.166 13.606 -12.280 646 H372 PNS 101 9H3 PNS 101 4.304 12.498 -14.874 647 H371 PNS 101 0H4 PNS 101 5.013 11.528 -13.584 648 H382 PNS 101 1H4 PNS 101 7.104 12.802 -13.800 649 H381 PNS 101 2H4 PNS 101 6.667 11.966 -15.289 650 H41 PNS 101 3H4 PNS 101 6.124 14.915 -13.599 651 H422 PNS 101 4H4 PNS 101 7.410 16.460 -15.727 652 H421 PNS 101 5H4 PNS 101 5.855 17.007 -15.099 653 H431 PNS 101 7H4 PNS 101 7.299 18.244 -13.804 654 H432 PNS 101 6H4 PNS 101 7.096 16.814 -12.782 655 H44 PNS 101 8H4 PNS 101 9.399 15.936 -13.749 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -2.269 -9.669 10.711 2 H2 MET 1 2HT MET 1 -3.701 -10.520 11.121 3 H3 MET 1 3HT MET 1 -2.982 -9.450 12.254 4 HA MET 1 HA MET 1 -4.083 -8.655 9.644 5 HB2 MET 1 2HB MET 1 -5.969 -9.294 10.834 6 HB3 MET 1 1HB MET 1 -5.251 -8.898 12.389 7 HG2 MET 1 2HG MET 1 -6.650 -7.148 12.275 8 HG3 MET 1 1HG MET 1 -5.355 -6.448 11.306 9 HE1 MET 1 2HE MET 1 -8.515 -5.838 11.539 10 HE2 MET 1 3HE MET 1 -9.103 -5.616 9.891 11 HE3 MET 1 1HE MET 1 -7.648 -4.777 10.428 12 H ASN 2 H ASN 2 -2.708 -7.804 12.780 13 HA ASN 2 HA ASN 2 -2.766 -5.018 12.494 14 HB2 ASN 2 2HB ASN 2 -0.898 -6.802 14.056 15 HB3 ASN 2 1HB ASN 2 -0.883 -5.045 14.171 16 HD21 ASN 2 1HD2 ASN 2 -3.972 -5.644 13.595 17 HD22 ASN 2 2HD2 ASN 2 -4.577 -5.831 15.202 18 H ASP 3 H ASP 3 -0.576 -7.426 11.275 19 HA ASP 3 HA ASP 3 1.655 -5.934 10.654 20 HB2 ASP 3 2HB ASP 3 2.060 -7.555 8.833 21 HB3 ASP 3 1HB ASP 3 1.577 -8.347 10.330 22 H VAL 4 H VAL 4 -1.475 -5.856 9.197 23 HA VAL 4 HA VAL 4 -0.747 -4.624 6.751 24 HB VAL 4 HB VAL 4 -3.140 -5.527 7.952 25 HG11 VAL 4 1HG1 VAL 4 -3.299 -2.667 7.016 26 HG12 VAL 4 2HG1 VAL 4 -3.635 -3.270 8.639 27 HG13 VAL 4 3HG1 VAL 4 -4.689 -3.715 7.297 28 HG21 VAL 4 3HG2 VAL 4 -3.367 -6.180 5.844 29 HG22 VAL 4 1HG2 VAL 4 -1.986 -5.182 5.388 30 HG23 VAL 4 2HG2 VAL 4 -3.615 -4.507 5.344 31 H LEU 5 H LEU 5 -2.211 -3.288 9.708 32 HA LEU 5 HA LEU 5 -2.002 -0.595 8.895 33 HB2 LEU 5 2HB LEU 5 -2.359 -0.138 11.368 34 HB3 LEU 5 1HB LEU 5 -3.615 -1.032 10.533 35 HG LEU 5 HG LEU 5 -2.235 -3.112 11.448 36 HD11 LEU 5 1HD1 LEU 5 -0.642 -2.602 12.901 37 HD12 LEU 5 2HD1 LEU 5 -1.863 -1.885 13.953 38 HD13 LEU 5 3HD1 LEU 5 -1.026 -0.886 12.765 39 HD21 LEU 5 3HD2 LEU 5 -4.621 -2.503 11.865 40 HD22 LEU 5 1HD2 LEU 5 -4.075 -1.534 13.234 41 HD23 LEU 5 2HD2 LEU 5 -3.816 -3.278 13.230 42 H THR 6 H THR 6 0.104 -2.734 10.660 43 HA THR 6 HA THR 6 1.874 -0.845 11.723 44 HB THR 6 HB THR 6 3.305 -3.201 11.001 45 HG1 THR 6 1HG THR 6 1.196 -4.050 10.680 46 HG21 THR 6 3HG2 THR 6 2.169 -2.216 13.595 47 HG22 THR 6 1HG2 THR 6 3.825 -2.079 13.004 48 HG23 THR 6 2HG2 THR 6 3.173 -3.660 13.447 49 H ARG 7 H ARG 7 2.266 -2.844 8.837 50 HA ARG 7 HA ARG 7 4.567 -1.419 8.003 51 HB2 ARG 7 2HB ARG 7 4.896 -3.196 6.688 52 HB3 ARG 7 1HB ARG 7 3.458 -3.892 7.421 53 HG2 ARG 7 2HG ARG 7 3.274 -4.034 5.037 54 HG3 ARG 7 1HG ARG 7 2.097 -2.861 5.633 55 HD2 ARG 7 2HD ARG 7 2.932 -1.388 4.196 56 HD3 ARG 7 1HD ARG 7 4.428 -1.400 5.129 57 HE ARG 7 HE ARG 7 3.898 -2.892 2.667 58 HH11 ARG 7 1HH1 ARG 7 6.085 -1.974 5.216 59 HH12 ARG 7 2HH1 ARG 7 7.499 -2.514 4.375 60 HH21 ARG 7 1HH2 ARG 7 5.753 -3.607 1.550 61 HH22 ARG 7 2HH2 ARG 7 7.311 -3.442 2.290 62 H VAL 8 H VAL 8 1.196 -1.549 6.963 63 HA VAL 8 HA VAL 8 1.483 0.172 4.757 64 HB VAL 8 HB VAL 8 -0.526 -1.384 5.574 65 HG11 VAL 8 1HG1 VAL 8 -2.422 0.013 6.292 66 HG12 VAL 8 2HG1 VAL 8 -1.330 1.389 6.443 67 HG13 VAL 8 3HG1 VAL 8 -1.123 -0.019 7.483 68 HG21 VAL 8 3HG2 VAL 8 -1.513 0.944 4.078 69 HG22 VAL 8 1HG2 VAL 8 -1.508 -0.767 3.649 70 HG23 VAL 8 2HG2 VAL 8 -0.050 0.201 3.433 71 H LEU 9 H LEU 9 0.337 0.767 8.064 72 HA LEU 9 HA LEU 9 -0.027 3.553 7.739 73 HB2 LEU 9 2HB LEU 9 -0.676 3.562 9.919 74 HB3 LEU 9 1HB LEU 9 -0.832 1.848 9.598 75 HG LEU 9 HG LEU 9 1.588 1.680 10.503 76 HD11 LEU 9 1HD1 LEU 9 1.562 4.337 10.507 77 HD12 LEU 9 2HD1 LEU 9 2.495 3.399 11.673 78 HD13 LEU 9 3HD1 LEU 9 0.926 4.064 12.130 79 HD21 LEU 9 3HD2 LEU 9 0.680 1.705 12.874 80 HD22 LEU 9 1HD2 LEU 9 -0.156 0.670 11.717 81 HD23 LEU 9 2HD2 LEU 9 -0.851 2.226 12.170 82 H GLU 10 H GLU 10 2.642 1.601 8.993 83 HA GLU 10 HA GLU 10 4.270 3.747 9.816 84 HB2 GLU 10 2HB GLU 10 6.025 2.144 10.027 85 HB3 GLU 10 1HB GLU 10 4.534 1.340 10.498 86 HG2 GLU 10 2HG GLU 10 5.121 -0.280 9.103 87 HG3 GLU 10 1HG GLU 10 4.704 0.830 7.796 88 H VAL 11 H VAL 11 3.803 2.107 6.802 89 HA VAL 11 HA VAL 11 6.036 2.951 5.396 90 HB VAL 11 HB VAL 11 3.438 1.856 4.746 91 HG11 VAL 11 1HG1 VAL 11 3.179 3.789 3.378 92 HG12 VAL 11 2HG1 VAL 11 3.604 2.438 2.328 93 HG13 VAL 11 3HG1 VAL 11 4.824 3.637 2.761 94 HG21 VAL 11 3HG2 VAL 11 5.006 0.768 2.962 95 HG22 VAL 11 1HG2 VAL 11 5.127 0.313 4.662 96 HG23 VAL 11 2HG2 VAL 11 6.279 1.455 3.970 97 H VAL 12 H VAL 12 2.810 4.393 5.419 98 HA VAL 12 HA VAL 12 3.537 6.663 3.886 99 HB VAL 12 HB VAL 12 1.271 6.349 3.796 100 HG11 VAL 12 1HG1 VAL 12 1.022 4.606 5.385 101 HG12 VAL 12 2HG1 VAL 12 -0.127 5.867 5.835 102 HG13 VAL 12 3HG1 VAL 12 1.382 5.689 6.731 103 HG21 VAL 12 3HG2 VAL 12 0.151 8.071 5.293 104 HG22 VAL 12 1HG2 VAL 12 1.467 8.648 4.271 105 HG23 VAL 12 2HG2 VAL 12 1.748 8.352 5.987 106 H LYS 13 H LYS 13 2.997 6.228 7.378 107 HA LYS 13 HA LYS 13 3.457 8.827 8.208 108 HB2 LYS 13 2HB LYS 13 3.737 7.973 10.379 109 HB3 LYS 13 1HB LYS 13 2.690 6.809 9.580 110 HG2 LYS 13 2HG LYS 13 4.651 5.374 9.163 111 HG3 LYS 13 1HG LYS 13 5.650 6.527 10.062 112 HD2 LYS 13 2HD LYS 13 3.496 4.699 11.058 113 HD3 LYS 13 1HD LYS 13 5.137 4.927 11.666 114 HE2 LYS 13 2HE LYS 13 2.879 6.914 11.874 115 HE3 LYS 13 1HE LYS 13 3.480 5.894 13.181 116 HZ1 LYS 13 3HZ LYS 13 5.175 7.857 11.743 117 HZ2 LYS 13 1HZ LYS 13 5.538 7.033 13.175 118 HZ3 LYS 13 2HZ LYS 13 4.338 8.224 13.166 119 H ASN 14 H ASN 14 5.828 6.198 7.842 120 HA ASN 14 HA ASN 14 8.011 7.973 8.415 121 HB2 ASN 14 2HB ASN 14 8.183 5.144 7.385 122 HB3 ASN 14 1HB ASN 14 9.427 6.051 8.239 123 HD21 ASN 14 1HD2 ASN 14 7.163 3.712 8.559 124 HD22 ASN 14 2HD2 ASN 14 6.904 3.782 10.265 125 H PHE 15 H PHE 15 6.139 7.488 5.763 126 HA PHE 15 HA PHE 15 8.082 7.391 3.699 127 HB2 PHE 15 2HB PHE 15 5.228 7.417 3.890 128 HB3 PHE 15 1HB PHE 15 5.727 8.650 2.737 129 HD1 PHE 15 2HD PHE 15 8.159 7.354 1.622 130 HD2 PHE 15 1HD PHE 15 4.312 5.771 2.520 131 HE1 PHE 15 2HE PHE 15 8.477 5.619 -0.094 132 HE2 PHE 15 1HE PHE 15 4.623 4.033 0.807 133 HZ PHE 15 HZ PHE 15 6.707 3.955 -0.504 134 H GLU 16 H GLU 16 6.837 9.868 5.705 135 HA GLU 16 HA GLU 16 7.996 11.925 5.964 136 HB2 GLU 16 2HB GLU 16 9.325 12.841 4.320 137 HB3 GLU 16 1HB GLU 16 9.428 11.138 3.909 138 HG2 GLU 16 2HG GLU 16 8.679 11.576 1.885 139 HG3 GLU 16 1HG GLU 16 7.188 12.217 2.569 140 H LYS 17 H LYS 17 5.372 10.880 4.209 141 HA LYS 17 HA LYS 17 4.318 13.290 3.203 142 HB2 LYS 17 2HB LYS 17 2.750 10.901 4.163 143 HB3 LYS 17 1HB LYS 17 2.222 12.111 3.008 144 HG2 LYS 17 2HG LYS 17 3.895 9.738 2.632 145 HG3 LYS 17 1HG LYS 17 2.840 10.581 1.497 146 HD2 LYS 17 2HD LYS 17 5.625 11.379 2.317 147 HD3 LYS 17 1HD LYS 17 5.124 10.760 0.741 148 HE2 LYS 17 2HE LYS 17 3.616 13.097 1.642 149 HE3 LYS 17 1HE LYS 17 5.338 13.406 1.417 150 HZ1 LYS 17 3HZ LYS 17 5.101 12.394 -0.828 151 HZ2 LYS 17 1HZ LYS 17 4.239 13.837 -0.629 152 HZ3 LYS 17 2HZ LYS 17 3.426 12.353 -0.594 153 H VAL 18 H VAL 18 3.734 11.562 6.256 154 HA VAL 18 HA VAL 18 3.564 13.820 7.859 155 HB VAL 18 HB VAL 18 0.887 13.397 8.168 156 HG11 VAL 18 1HG1 VAL 18 2.302 15.528 7.952 157 HG12 VAL 18 2HG1 VAL 18 0.619 15.595 7.432 158 HG13 VAL 18 3HG1 VAL 18 1.906 15.452 6.235 159 HG21 VAL 18 3HG2 VAL 18 -0.229 13.111 6.177 160 HG22 VAL 18 1HG2 VAL 18 1.158 12.048 5.940 161 HG23 VAL 18 2HG2 VAL 18 1.140 13.653 5.207 162 H ASP 19 H ASP 19 2.990 13.344 10.036 163 HA ASP 19 HA ASP 19 3.562 10.698 10.825 164 HB2 ASP 19 2HB ASP 19 2.289 12.826 12.547 165 HB3 ASP 19 1HB ASP 19 3.272 11.465 13.076 166 H ALA 20 H ALA 20 2.251 9.004 10.763 167 HA ALA 20 HA ALA 20 -0.456 9.065 10.143 168 HB1 ALA 20 1HB ALA 20 -0.037 6.716 11.616 169 HB2 ALA 20 2HB ALA 20 1.493 7.075 10.817 170 HB3 ALA 20 3HB ALA 20 0.016 6.916 9.865 171 H SER 21 H SER 21 1.043 9.844 13.075 172 HA SER 21 HA SER 21 -0.916 8.980 14.908 173 HB2 SER 21 2HB SER 21 0.111 10.745 16.410 174 HB3 SER 21 1HB SER 21 1.236 9.550 15.767 175 HG SER 21 HG SER 21 1.563 12.070 15.621 176 H LYS 22 H LYS 22 -0.885 11.556 12.655 177 HA LYS 22 HA LYS 22 -2.939 13.044 14.068 178 HB2 LYS 22 2HB LYS 22 -2.800 14.464 11.886 179 HB3 LYS 22 1HB LYS 22 -1.504 14.562 13.069 180 HG2 LYS 22 2HG LYS 22 -0.763 14.412 10.693 181 HG3 LYS 22 1HG LYS 22 -0.093 13.178 11.759 182 HD2 LYS 22 2HD LYS 22 -0.726 12.047 9.783 183 HD3 LYS 22 1HD LYS 22 -1.974 11.672 10.973 184 HE2 LYS 22 2HE LYS 22 -2.781 14.037 9.674 185 HE3 LYS 22 1HE LYS 22 -2.230 12.934 8.413 186 HZ1 LYS 22 3HZ LYS 22 -4.325 12.173 8.594 187 HZ2 LYS 22 1HZ LYS 22 -4.528 12.734 10.177 188 HZ3 LYS 22 2HZ LYS 22 -3.698 11.288 9.892 189 H VAL 23 H VAL 23 -3.003 10.312 12.491 190 HA VAL 23 HA VAL 23 -5.190 10.836 10.672 191 HB VAL 23 HB VAL 23 -3.193 8.821 10.901 192 HG11 VAL 23 1HG1 VAL 23 -4.785 6.873 10.370 193 HG12 VAL 23 2HG1 VAL 23 -6.011 7.846 11.183 194 HG13 VAL 23 3HG1 VAL 23 -4.563 7.339 12.056 195 HG21 VAL 23 3HG2 VAL 23 -4.098 8.195 8.648 196 HG22 VAL 23 1HG2 VAL 23 -3.682 9.899 8.838 197 HG23 VAL 23 2HG2 VAL 23 -5.370 9.390 8.901 198 H THR 24 H THR 24 -7.264 10.674 11.220 199 HA THR 24 HA THR 24 -7.946 9.330 13.709 200 HB THR 24 HB THR 24 -8.589 11.891 12.772 201 HG1 THR 24 1HG THR 24 -9.320 12.089 14.773 202 HG21 THR 24 3HG2 THR 24 -11.163 10.429 13.143 203 HG22 THR 24 1HG2 THR 24 -10.456 10.605 11.538 204 HG23 THR 24 2HG2 THR 24 -10.870 12.037 12.480 205 HA PRO 25 HA PRO 25 -10.542 6.295 11.879 206 HB2 PRO 25 2HB PRO 25 -13.043 6.792 12.949 207 HB3 PRO 25 1HB PRO 25 -11.757 5.899 13.765 208 HG2 PRO 25 2HG PRO 25 -12.569 8.759 14.070 209 HG3 PRO 25 1HG PRO 25 -12.068 7.596 15.311 210 HD2 PRO 25 2HD PRO 25 -10.397 9.489 14.407 211 HD3 PRO 25 1HD PRO 25 -9.814 7.865 14.829 212 H GLU 26 H GLU 26 -11.936 9.542 11.853 213 HA GLU 26 HA GLU 26 -13.306 8.920 9.350 214 HB2 GLU 26 2HB GLU 26 -13.766 10.919 11.514 215 HB3 GLU 26 1HB GLU 26 -14.284 11.321 9.883 216 HG2 GLU 26 2HG GLU 26 -15.558 9.161 9.862 217 HG3 GLU 26 1HG GLU 26 -15.184 9.010 11.579 218 H SER 27 H SER 27 -10.382 9.751 10.040 219 HA SER 27 HA SER 27 -9.903 12.255 8.863 220 HB2 SER 27 2HB SER 27 -8.015 11.633 9.964 221 HB3 SER 27 1HB SER 27 -8.278 9.918 9.654 222 HG SER 27 HG SER 27 -7.007 11.845 8.062 223 H HIS 28 H HIS 28 -9.697 12.914 6.809 224 HA HIS 28 HA HIS 28 -10.458 11.129 4.707 225 HB2 HIS 28 2HB HIS 28 -10.338 13.987 5.108 226 HB3 HIS 28 1HB HIS 28 -9.623 13.546 3.561 227 HD1 HIS 28 1HD HIS 28 -12.833 12.826 5.479 228 HD2 HIS 28 2HD HIS 28 -11.454 13.301 1.588 229 HE1 HIS 28 1HE HIS 28 -14.877 12.688 4.020 230 HE2 HIS 28 2HE HIS 28 -14.028 13.064 1.677 231 H PHE 29 H PHE 29 -9.224 10.598 2.866 232 HA PHE 29 HA PHE 29 -6.503 10.043 3.384 233 HB2 PHE 29 2HB PHE 29 -8.283 8.932 1.744 234 HB3 PHE 29 1HB PHE 29 -7.517 10.013 0.584 235 HD1 PHE 29 2HD PHE 29 -4.740 9.859 1.937 236 HD2 PHE 29 1HD PHE 29 -7.550 6.915 0.694 237 HE1 PHE 29 2HE PHE 29 -2.909 8.242 1.641 238 HE2 PHE 29 1HE PHE 29 -5.723 5.293 0.396 239 HZ PHE 29 HZ PHE 29 -3.400 5.956 0.869 240 H VAL 30 H VAL 30 -5.951 10.728 0.399 241 HA VAL 30 HA VAL 30 -4.146 12.681 0.596 242 HB VAL 30 HB VAL 30 -5.859 13.136 -1.749 243 HG11 VAL 30 1HG1 VAL 30 -3.518 12.351 -2.735 244 HG12 VAL 30 2HG1 VAL 30 -2.989 12.757 -1.102 245 HG13 VAL 30 3HG1 VAL 30 -3.775 13.977 -2.103 246 HG21 VAL 30 3HG2 VAL 30 -4.798 10.395 -1.096 247 HG22 VAL 30 1HG2 VAL 30 -5.195 10.911 -2.735 248 HG23 VAL 30 2HG2 VAL 30 -6.453 10.853 -1.500 249 H LYS 31 H LYS 31 -7.579 13.151 0.640 250 HA LYS 31 HA LYS 31 -7.665 15.933 0.258 251 HB2 LYS 31 2HB LYS 31 -9.560 14.222 1.876 252 HB3 LYS 31 1HB LYS 31 -9.897 15.828 1.245 253 HG2 LYS 31 2HG LYS 31 -9.842 13.218 -0.138 254 HG3 LYS 31 1HG LYS 31 -10.906 14.607 -0.368 255 HD2 LYS 31 2HD LYS 31 -8.060 14.321 -1.325 256 HD3 LYS 31 1HD LYS 31 -9.517 14.345 -2.320 257 HE2 LYS 31 2HE LYS 31 -9.206 16.665 -0.554 258 HE3 LYS 31 1HE LYS 31 -7.952 16.510 -1.785 259 HZ1 LYS 31 3HZ LYS 31 -10.817 17.009 -2.098 260 HZ2 LYS 31 1HZ LYS 31 -10.045 16.097 -3.298 261 HZ3 LYS 31 2HZ LYS 31 -9.508 17.661 -2.948 262 H ASP 32 H ASP 32 -7.479 13.995 3.222 263 HA ASP 32 HA ASP 32 -7.269 16.354 4.856 264 HB2 ASP 32 2HB ASP 32 -8.419 14.048 5.415 265 HB3 ASP 32 1HB ASP 32 -6.793 13.610 5.930 266 H LEU 33 H LEU 33 -5.184 15.154 2.847 267 HA LEU 33 HA LEU 33 -2.922 15.857 2.809 268 HB2 LEU 33 2HB LEU 33 -3.400 16.589 5.316 269 HB3 LEU 33 1HB LEU 33 -2.512 15.116 5.638 270 HG LEU 33 HG LEU 33 -1.360 17.162 3.789 271 HD11 LEU 33 1HD1 LEU 33 -0.127 17.794 6.074 272 HD12 LEU 33 2HD1 LEU 33 -1.722 17.392 6.712 273 HD13 LEU 33 3HD1 LEU 33 -1.554 18.647 5.483 274 HD21 LEU 33 3HD2 LEU 33 -0.219 15.066 3.852 275 HD22 LEU 33 1HD2 LEU 33 -0.233 15.050 5.616 276 HD23 LEU 33 2HD2 LEU 33 0.750 16.233 4.754 277 H GLY 34 H GLY 34 -4.113 13.445 2.138 278 HA2 GLY 34 2HA GLY 34 -2.826 11.209 3.334 279 HA3 GLY 34 1HA GLY 34 -3.669 11.216 1.794 280 H LEU 35 H LEU 35 -1.838 9.672 1.361 281 HA LEU 35 HA LEU 35 0.811 10.610 1.102 282 HB2 LEU 35 2HB LEU 35 -0.135 8.459 -0.703 283 HB3 LEU 35 1HB LEU 35 1.306 8.535 0.290 284 HG LEU 35 HG LEU 35 -1.417 7.564 0.979 285 HD11 LEU 35 1HD1 LEU 35 1.411 6.697 1.291 286 HD12 LEU 35 2HD1 LEU 35 0.011 5.799 0.704 287 HD13 LEU 35 3HD1 LEU 35 0.207 6.096 2.431 288 HD21 LEU 35 3HD2 LEU 35 -1.547 8.784 2.838 289 HD22 LEU 35 1HD2 LEU 35 0.094 9.398 2.642 290 HD23 LEU 35 2HD2 LEU 35 -0.177 7.846 3.433 291 H ASN 36 H ASN 36 1.803 11.735 -0.457 292 HA ASN 36 HA ASN 36 0.338 13.079 -2.444 293 HB2 ASN 36 2HB ASN 36 2.592 13.717 -1.360 294 HB3 ASN 36 1HB ASN 36 3.317 12.667 -2.575 295 HD21 ASN 36 1HD2 ASN 36 3.689 13.462 -4.535 296 HD22 ASN 36 2HD2 ASN 36 3.139 14.993 -5.112 297 H SER 37 H SER 37 1.584 13.014 -4.799 298 HA SER 37 HA SER 37 0.587 10.687 -6.029 299 HB2 SER 37 2HB SER 37 1.590 13.188 -6.873 300 HB3 SER 37 1HB SER 37 2.556 11.959 -7.688 301 H LEU 38 H LEU 38 3.932 11.803 -5.794 302 HA LEU 38 HA LEU 38 5.131 9.442 -6.674 303 HB2 LEU 38 2HB LEU 38 7.172 10.364 -6.013 304 HB3 LEU 38 1HB LEU 38 6.169 11.754 -6.378 305 HG LEU 38 HG LEU 38 7.475 12.151 -4.370 306 HD11 LEU 38 1HD1 LEU 38 5.439 12.391 -2.745 307 HD12 LEU 38 2HD1 LEU 38 4.511 11.926 -4.170 308 HD13 LEU 38 3HD1 LEU 38 5.534 13.362 -4.213 309 HD21 LEU 38 3HD2 LEU 38 7.060 9.474 -3.847 310 HD22 LEU 38 1HD2 LEU 38 6.076 10.292 -2.633 311 HD23 LEU 38 2HD2 LEU 38 7.798 10.648 -2.757 312 H ASP 39 H ASP 39 3.979 10.402 -3.541 313 HA ASP 39 HA ASP 39 5.259 8.322 -2.078 314 HB2 ASP 39 2HB ASP 39 4.341 10.522 -1.152 315 HB3 ASP 39 1HB ASP 39 2.757 9.758 -1.216 316 H VAL 40 H VAL 40 1.769 8.761 -2.284 317 HA VAL 40 HA VAL 40 0.817 6.370 -1.679 318 HB VAL 40 HB VAL 40 -0.167 8.487 -3.263 319 HG11 VAL 40 1HG1 VAL 40 0.285 6.729 -5.116 320 HG12 VAL 40 2HG1 VAL 40 -1.273 7.555 -5.073 321 HG13 VAL 40 3HG1 VAL 40 -1.127 5.912 -4.446 322 HG21 VAL 40 3HG2 VAL 40 -1.580 8.025 -1.575 323 HG22 VAL 40 1HG2 VAL 40 -1.190 6.304 -1.583 324 HG23 VAL 40 2HG2 VAL 40 -2.340 6.954 -2.751 325 H VAL 41 H VAL 41 2.378 7.088 -4.768 326 HA VAL 41 HA VAL 41 1.878 4.597 -5.985 327 HB VAL 41 HB VAL 41 3.692 5.157 -7.535 328 HG11 VAL 41 1HG1 VAL 41 1.332 6.600 -7.102 329 HG12 VAL 41 2HG1 VAL 41 2.259 6.480 -8.597 330 HG13 VAL 41 3HG1 VAL 41 2.571 7.801 -7.470 331 HG21 VAL 41 3HG2 VAL 41 5.108 7.025 -7.270 332 HG22 VAL 41 1HG2 VAL 41 5.137 6.183 -5.720 333 HG23 VAL 41 2HG2 VAL 41 4.167 7.642 -5.913 334 H GLU 42 H GLU 42 4.648 5.800 -4.110 335 HA GLU 42 HA GLU 42 6.190 3.450 -4.349 336 HB2 GLU 42 2HB GLU 42 6.249 5.855 -2.594 337 HB3 GLU 42 1HB GLU 42 7.183 4.448 -2.099 338 HG2 GLU 42 2HG GLU 42 7.984 4.605 -4.636 339 HG3 GLU 42 1HG GLU 42 7.591 6.303 -4.362 340 H VAL 43 H VAL 43 3.823 4.534 -2.025 341 HA VAL 43 HA VAL 43 4.167 2.435 -0.167 342 HB VAL 43 HB VAL 43 2.904 3.855 0.996 343 HG11 VAL 43 1HG1 VAL 43 1.508 5.637 -0.185 344 HG12 VAL 43 2HG1 VAL 43 2.221 5.025 -1.675 345 HG13 VAL 43 3HG1 VAL 43 3.255 5.690 -0.411 346 HG21 VAL 43 3HG2 VAL 43 1.208 2.208 0.777 347 HG22 VAL 43 1HG2 VAL 43 0.753 2.827 -0.805 348 HG23 VAL 43 2HG2 VAL 43 0.438 3.790 0.633 349 H VAL 44 H VAL 44 2.122 2.887 -2.972 350 HA VAL 44 HA VAL 44 0.433 0.678 -2.646 351 HB VAL 44 HB VAL 44 -0.040 0.810 -5.001 352 HG11 VAL 44 1HG1 VAL 44 0.188 3.613 -4.937 353 HG12 VAL 44 2HG1 VAL 44 -0.056 3.085 -3.272 354 HG13 VAL 44 3HG1 VAL 44 -1.214 2.628 -4.523 355 HG21 VAL 44 3HG2 VAL 44 1.443 1.371 -6.565 356 HG22 VAL 44 1HG2 VAL 44 2.651 1.399 -5.281 357 HG23 VAL 44 2HG2 VAL 44 1.833 2.887 -5.753 358 H PHE 45 H PHE 45 3.677 0.983 -3.944 359 HA PHE 45 HA PHE 45 3.844 -1.666 -4.963 360 HB2 PHE 45 2HB PHE 45 5.502 0.661 -4.886 361 HB3 PHE 45 1HB PHE 45 6.434 -0.709 -4.294 362 HD1 PHE 45 1HD PHE 45 6.701 -2.717 -5.725 363 HD2 PHE 45 2HD PHE 45 4.974 0.890 -7.172 364 HE1 PHE 45 1HE PHE 45 7.091 -3.465 -8.039 365 HE2 PHE 45 2HE PHE 45 5.358 0.152 -9.488 366 HZ PHE 45 HZ PHE 45 6.418 -2.029 -9.924 367 H ALA 46 H ALA 46 4.646 -0.103 -1.949 368 HA ALA 46 HA ALA 46 6.024 -2.221 -0.726 369 HB1 ALA 46 1HB ALA 46 4.625 0.211 0.270 370 HB2 ALA 46 2HB ALA 46 6.330 -0.226 0.377 371 HB3 ALA 46 3HB ALA 46 5.151 -1.019 1.421 372 H ILE 47 H ILE 47 2.713 -1.130 -0.154 373 HA ILE 47 HA ILE 47 1.898 -3.344 1.351 374 HB ILE 47 HB ILE 47 -0.451 -2.654 0.588 375 HG12 ILE 47 2HG1 ILE 47 1.258 -0.848 -1.011 376 HG13 ILE 47 1HG1 ILE 47 -0.369 -1.434 -1.331 377 HG21 ILE 47 1HG2 ILE 47 1.280 -1.663 2.504 378 HG22 ILE 47 2HG2 ILE 47 -0.465 -1.419 2.440 379 HG23 ILE 47 3HG2 ILE 47 0.620 -0.220 1.736 380 HD11 ILE 47 3HD1 ILE 47 -1.196 0.512 -0.718 381 HD12 ILE 47 1HD1 ILE 47 0.435 1.100 -0.401 382 HD13 ILE 47 2HD1 ILE 47 -0.487 0.327 0.887 383 H GLU 48 H GLU 48 2.093 -2.828 -2.097 384 HA GLU 48 HA GLU 48 0.412 -4.837 -3.019 385 HB2 GLU 48 2HB GLU 48 2.572 -3.234 -4.092 386 HB3 GLU 48 1HB GLU 48 2.621 -4.869 -4.738 387 HG2 GLU 48 2HG GLU 48 0.299 -4.653 -5.462 388 HG3 GLU 48 1HG GLU 48 0.250 -3.013 -4.815 389 H GLN 49 H GLN 49 3.657 -4.977 -1.759 390 HA GLN 49 HA GLN 49 4.068 -7.735 -2.395 391 HB2 GLN 49 2HB GLN 49 5.595 -6.273 -0.268 392 HB3 GLN 49 1HB GLN 49 6.157 -7.524 -1.370 393 HG2 GLN 49 2HG GLN 49 5.319 -4.826 -2.364 394 HG3 GLN 49 1HG GLN 49 6.947 -5.127 -1.758 395 HE21 GLN 49 1HE2 GLN 49 6.733 -4.297 -4.278 396 HE22 GLN 49 2HE2 GLN 49 7.044 -5.581 -5.391 397 H GLU 50 H GLU 50 3.062 -5.909 0.453 398 HA GLU 50 HA GLU 50 2.681 -8.387 1.918 399 HB2 GLU 50 2HB GLU 50 2.850 -7.203 3.879 400 HB3 GLU 50 1HB GLU 50 3.863 -6.227 2.825 401 HG2 GLU 50 2HG GLU 50 2.578 -4.455 3.127 402 HG3 GLU 50 1HG GLU 50 1.138 -5.353 2.651 403 H PHE 51 H PHE 51 0.908 -7.757 -0.226 404 HA PHE 51 HA PHE 51 -1.584 -7.941 1.189 405 HB2 PHE 51 2HB PHE 51 -0.881 -5.582 -0.501 406 HB3 PHE 51 1HB PHE 51 -2.541 -6.160 -0.494 407 HD1 PHE 51 2HD PHE 51 -3.742 -6.316 1.726 408 HD2 PHE 51 1HD PHE 51 -0.069 -4.229 1.212 409 HE1 PHE 51 2HE PHE 51 -4.173 -5.052 3.795 410 HE2 PHE 51 1HE PHE 51 -0.493 -2.962 3.278 411 HZ PHE 51 HZ PHE 51 -2.547 -3.372 4.571 412 H ILE 52 H ILE 52 0.206 -8.028 -1.822 413 HA ILE 52 HA ILE 52 -0.024 -9.314 -3.686 414 HB ILE 52 HB ILE 52 -2.208 -10.836 -2.291 415 HG12 ILE 52 2HG1 ILE 52 0.123 -12.259 -1.877 416 HG13 ILE 52 1HG1 ILE 52 0.597 -10.592 -1.573 417 HG21 ILE 52 1HG2 ILE 52 -1.596 -11.176 -4.755 418 HG22 ILE 52 2HG2 ILE 52 -1.676 -12.603 -3.722 419 HG23 ILE 52 3HG2 ILE 52 -0.112 -11.907 -4.144 420 HD11 ILE 52 3HD1 ILE 52 -1.542 -12.175 -0.194 421 HD12 ILE 52 1HD1 ILE 52 -1.367 -10.428 -0.022 422 HD13 ILE 52 2HD1 ILE 52 -0.066 -11.500 0.496 423 H LEU 53 H LEU 53 -1.373 -6.915 -3.615 424 HA LEU 53 HA LEU 53 -3.302 -7.296 -5.661 425 HB2 LEU 53 2HB LEU 53 -4.470 -7.677 -3.329 426 HB3 LEU 53 1HB LEU 53 -4.458 -5.925 -3.276 427 HG LEU 53 HG LEU 53 -6.088 -5.727 -4.833 428 HD11 LEU 53 1HD1 LEU 53 -6.386 -7.523 -6.655 429 HD12 LEU 53 2HD1 LEU 53 -4.789 -8.078 -6.152 430 HD13 LEU 53 3HD1 LEU 53 -5.001 -6.435 -6.758 431 HD21 LEU 53 3HD2 LEU 53 -7.299 -8.200 -4.870 432 HD22 LEU 53 1HD2 LEU 53 -7.554 -6.938 -3.667 433 HD23 LEU 53 2HD2 LEU 53 -6.382 -8.220 -3.364 434 H ASP 54 H ASP 54 -3.553 -5.462 -6.876 435 HA ASP 54 HA ASP 54 -1.760 -3.307 -6.311 436 HB2 ASP 54 2HB ASP 54 -3.749 -3.472 -8.572 437 HB3 ASP 54 1HB ASP 54 -2.280 -2.503 -8.505 438 H ILE 55 H ILE 55 -2.254 -1.191 -5.850 439 HA ILE 55 HA ILE 55 -4.985 -0.710 -4.927 440 HB ILE 55 HB ILE 55 -2.522 0.849 -4.169 441 HG12 ILE 55 2HG1 ILE 55 -1.938 -0.971 -2.978 442 HG13 ILE 55 1HG1 ILE 55 -3.302 -0.577 -1.939 443 HG21 ILE 55 1HG2 ILE 55 -4.672 2.016 -3.912 444 HG22 ILE 55 2HG2 ILE 55 -3.891 1.703 -2.362 445 HG23 ILE 55 3HG2 ILE 55 -5.246 0.702 -2.885 446 HD11 ILE 55 3HD1 ILE 55 -4.574 -1.996 -3.815 447 HD12 ILE 55 1HD1 ILE 55 -3.850 -2.715 -2.376 448 HD13 ILE 55 2HD1 ILE 55 -2.979 -2.741 -3.909 449 HA PRO 56 HA PRO 56 -3.315 3.256 -7.460 450 HB2 PRO 56 2HB PRO 56 -2.107 1.526 -9.571 451 HB3 PRO 56 1HB PRO 56 -1.607 3.124 -9.003 452 HG2 PRO 56 2HG PRO 56 -0.267 0.950 -8.264 453 HG3 PRO 56 1HG PRO 56 -0.558 2.270 -7.115 454 HD2 PRO 56 2HD PRO 56 -1.877 -0.399 -7.315 455 HD3 PRO 56 1HD PRO 56 -1.488 0.564 -5.875 456 H ASP 57 H ASP 57 -3.690 3.489 -10.121 457 HA ASP 57 HA ASP 57 -5.291 3.528 -11.735 458 HB2 ASP 57 2HB ASP 57 -6.557 0.973 -11.240 459 HB3 ASP 57 1HB ASP 57 -5.601 1.495 -12.625 460 H HIS 58 H HIS 58 -7.821 2.822 -12.014 461 HA HIS 58 HA HIS 58 -9.335 4.551 -10.596 462 HB2 HIS 58 2HB HIS 58 -10.051 1.886 -11.790 463 HB3 HIS 58 1HB HIS 58 -11.269 2.871 -10.988 464 HD1 HIS 58 1HD HIS 58 -12.476 4.412 -12.490 465 HD2 HIS 58 2HD HIS 58 -8.698 3.482 -13.949 466 HE1 HIS 58 1HE HIS 58 -12.315 5.563 -14.720 467 HE2 HIS 58 2HE HIS 58 -9.989 5.057 -15.544 468 H ASP 59 H ASP 59 -8.015 1.601 -9.424 469 HA ASP 59 HA ASP 59 -9.796 1.145 -7.276 470 HB2 ASP 59 2HB ASP 59 -7.044 0.211 -7.980 471 HB3 ASP 59 1HB ASP 59 -7.655 -0.083 -6.354 472 H ALA 60 H ALA 60 -6.690 2.843 -7.510 473 HA ALA 60 HA ALA 60 -6.611 3.549 -4.755 474 HB1 ALA 60 1HB ALA 60 -5.119 4.884 -7.002 475 HB2 ALA 60 2HB ALA 60 -4.615 3.368 -6.254 476 HB3 ALA 60 3HB ALA 60 -4.686 4.845 -5.293 477 H GLU 61 H GLU 61 -8.149 4.860 -7.528 478 HA GLU 61 HA GLU 61 -8.453 7.514 -6.483 479 HB2 GLU 61 2HB GLU 61 -10.090 6.330 -8.709 480 HB3 GLU 61 1HB GLU 61 -9.639 8.011 -8.458 481 HG2 GLU 61 2HG GLU 61 -7.550 5.937 -8.967 482 HG3 GLU 61 1HG GLU 61 -8.460 6.647 -10.298 483 H LYS 62 H LYS 62 -10.219 4.531 -6.384 484 HA LYS 62 HA LYS 62 -12.726 5.642 -5.618 485 HB2 LYS 62 2HB LYS 62 -11.565 2.868 -5.518 486 HB3 LYS 62 1HB LYS 62 -13.155 3.226 -4.857 487 HG2 LYS 62 2HG LYS 62 -12.240 3.161 -7.681 488 HG3 LYS 62 1HG LYS 62 -13.725 2.542 -6.955 489 HD2 LYS 62 2HD LYS 62 -14.133 5.134 -6.527 490 HD3 LYS 62 1HD LYS 62 -13.075 5.268 -7.932 491 HE2 LYS 62 2HE LYS 62 -14.635 3.526 -9.007 492 HE3 LYS 62 1HE LYS 62 -15.756 3.942 -7.712 493 HZ1 LYS 62 3HZ LYS 62 -15.704 5.202 -10.036 494 HZ2 LYS 62 1HZ LYS 62 -14.603 6.169 -9.188 495 HZ3 LYS 62 2HZ LYS 62 -16.174 5.959 -8.598 496 H ILE 63 H ILE 63 -10.025 6.021 -4.049 497 HA ILE 63 HA ILE 63 -11.073 5.367 -1.400 498 HB ILE 63 HB ILE 63 -8.567 4.904 -2.440 499 HG12 ILE 63 2HG1 ILE 63 -8.473 5.144 0.443 500 HG13 ILE 63 1HG1 ILE 63 -9.997 4.430 -0.077 501 HG21 ILE 63 1HG2 ILE 63 -8.488 7.376 -0.726 502 HG22 ILE 63 2HG2 ILE 63 -7.884 7.182 -2.372 503 HG23 ILE 63 3HG2 ILE 63 -7.082 6.356 -1.036 504 HD11 ILE 63 3HD1 ILE 63 -8.859 2.513 -0.042 505 HD12 ILE 63 1HD1 ILE 63 -7.296 3.326 -0.097 506 HD13 ILE 63 2HD1 ILE 63 -8.201 3.055 -1.586 507 H GLN 64 H GLN 64 -11.891 6.969 -0.222 508 HA GLN 64 HA GLN 64 -11.111 9.703 -0.858 509 HB2 GLN 64 2HB GLN 64 -13.673 8.747 0.416 510 HB3 GLN 64 1HB GLN 64 -13.285 10.412 0.003 511 HG2 GLN 64 2HG GLN 64 -14.376 10.010 -1.892 512 HG3 GLN 64 1HG GLN 64 -12.928 9.130 -2.382 513 HE21 GLN 64 1HE2 GLN 64 -12.880 6.810 -1.765 514 HE22 GLN 64 2HE2 GLN 64 -14.357 5.920 -1.871 515 H SER 65 H SER 65 -11.866 7.485 1.782 516 HA SER 65 HA SER 65 -10.515 9.336 3.633 517 HB2 SER 65 2HB SER 65 -12.341 7.161 4.591 518 HB3 SER 65 1HB SER 65 -11.946 8.701 5.352 519 HG SER 65 HG SER 65 -14.073 8.209 4.000 520 H ILE 66 H ILE 66 -9.346 8.289 5.430 521 HA ILE 66 HA ILE 66 -7.466 6.427 4.477 522 HB ILE 66 HB ILE 66 -7.973 6.917 7.399 523 HG12 ILE 66 2HG1 ILE 66 -7.802 8.999 5.693 524 HG13 ILE 66 1HG1 ILE 66 -7.155 9.040 7.330 525 HG21 ILE 66 1HG2 ILE 66 -6.166 5.627 7.542 526 HG22 ILE 66 2HG2 ILE 66 -5.259 6.972 6.850 527 HG23 ILE 66 3HG2 ILE 66 -5.888 5.702 5.802 528 HD11 ILE 66 3HD1 ILE 66 -4.961 8.709 6.584 529 HD12 ILE 66 1HD1 ILE 66 -5.660 9.877 5.464 530 HD13 ILE 66 2HD1 ILE 66 -5.494 8.188 4.985 531 HA PRO 67 HA PRO 67 -10.164 3.494 7.515 532 HB2 PRO 67 2HB PRO 67 -12.686 4.394 6.191 533 HB3 PRO 67 1HB PRO 67 -12.422 3.840 7.849 534 HG2 PRO 67 2HG PRO 67 -12.727 6.430 7.317 535 HG3 PRO 67 1HG PRO 67 -11.560 5.880 8.535 536 HD2 PRO 67 2HD PRO 67 -11.084 6.901 5.778 537 HD3 PRO 67 1HD PRO 67 -10.084 7.069 7.235 538 H ASP 68 H ASP 68 -12.028 4.112 4.548 539 HA ASP 68 HA ASP 68 -12.162 1.481 3.702 540 HB2 ASP 68 2HB ASP 68 -12.759 2.357 1.504 541 HB3 ASP 68 1HB ASP 68 -13.533 3.311 2.765 542 H ALA 69 H ALA 69 -9.487 3.582 3.701 543 HA ALA 69 HA ALA 69 -8.042 2.549 1.506 544 HB1 ALA 69 1HB ALA 69 -7.657 4.528 3.492 545 HB2 ALA 69 2HB ALA 69 -6.742 4.271 2.006 546 HB3 ALA 69 3HB ALA 69 -6.245 3.469 3.497 547 H VAL 70 H VAL 70 -6.717 2.313 4.725 548 HA VAL 70 HA VAL 70 -5.447 -0.152 4.216 549 HB VAL 70 HB VAL 70 -4.444 1.258 5.837 550 HG11 VAL 70 1HG1 VAL 70 -5.698 2.618 7.065 551 HG12 VAL 70 2HG1 VAL 70 -6.164 1.239 8.060 552 HG13 VAL 70 3HG1 VAL 70 -7.149 1.696 6.671 553 HG21 VAL 70 3HG2 VAL 70 -5.685 -0.936 7.478 554 HG22 VAL 70 1HG2 VAL 70 -4.081 -0.220 7.643 555 HG23 VAL 70 2HG2 VAL 70 -4.453 -1.241 6.254 556 H GLU 71 H GLU 71 -8.619 0.608 5.211 557 HA GLU 71 HA GLU 71 -9.190 -1.748 6.682 558 HB2 GLU 71 2HB GLU 71 -10.992 0.222 5.276 559 HB3 GLU 71 1HB GLU 71 -11.582 -1.102 6.271 560 HG2 GLU 71 2HG GLU 71 -9.701 1.002 7.299 561 HG3 GLU 71 1HG GLU 71 -11.456 1.154 7.377 562 H TYR 72 H TYR 72 -9.599 -0.810 3.295 563 HA TYR 72 HA TYR 72 -10.948 -3.171 2.517 564 HB2 TYR 72 2HB TYR 72 -11.211 -2.050 0.601 565 HB3 TYR 72 1HB TYR 72 -10.274 -0.740 1.310 566 HD1 TYR 72 2HD TYR 72 -9.818 -3.963 -0.516 567 HD2 TYR 72 1HD TYR 72 -8.317 -0.060 0.269 568 HE1 TYR 72 2HE TYR 72 -8.076 -4.297 -2.219 569 HE2 TYR 72 1HE TYR 72 -6.572 -0.383 -1.432 570 HH TYR 72 HH TYR 72 -6.539 -2.178 -3.719 571 H ILE 73 H ILE 73 -7.599 -2.124 2.220 572 HA ILE 73 HA ILE 73 -6.664 -4.512 1.036 573 HB ILE 73 HB ILE 73 -4.650 -3.109 2.575 574 HG12 ILE 73 2HG1 ILE 73 -5.871 -1.496 0.360 575 HG13 ILE 73 1HG1 ILE 73 -6.466 -1.330 2.007 576 HG21 ILE 73 1HG2 ILE 73 -3.422 -3.237 0.581 577 HG22 ILE 73 2HG2 ILE 73 -4.880 -3.352 -0.405 578 HG23 ILE 73 3HG2 ILE 73 -4.396 -4.706 0.615 579 HD11 ILE 73 3HD1 ILE 73 -3.554 -1.151 1.695 580 HD12 ILE 73 1HD1 ILE 73 -4.661 -0.200 2.685 581 HD13 ILE 73 2HD1 ILE 73 -4.492 0.153 0.966 582 H ALA 74 H ALA 74 -7.175 -3.504 4.303 583 HA ALA 74 HA ALA 74 -5.550 -5.397 5.608 584 HB1 ALA 74 1HB ALA 74 -6.380 -3.423 6.750 585 HB2 ALA 74 2HB ALA 74 -6.880 -4.883 7.602 586 HB3 ALA 74 3HB ALA 74 -8.035 -4.011 6.595 587 H GLN 75 H GLN 75 -8.879 -5.487 4.520 588 HA GLN 75 HA GLN 75 -9.380 -8.064 5.663 589 HB2 GLN 75 2HB GLN 75 -10.979 -6.250 3.879 590 HB3 GLN 75 1HB GLN 75 -11.535 -7.864 4.300 591 HG2 GLN 75 2HG GLN 75 -12.433 -7.028 6.133 592 HG3 GLN 75 1HG GLN 75 -10.813 -6.646 6.716 593 HE21 GLN 75 1HE2 GLN 75 -10.607 -4.635 7.348 594 HE22 GLN 75 2HE2 GLN 75 -11.415 -3.261 6.681 595 H ASN 76 H ASN 76 -8.528 -6.767 2.549 596 HA ASN 76 HA ASN 76 -9.082 -8.949 0.913 597 HB2 ASN 76 2HB ASN 76 -7.347 -6.574 0.771 598 HB3 ASN 76 1HB ASN 76 -6.810 -7.929 -0.217 599 HD21 ASN 76 1HD2 ASN 76 -9.043 -5.386 0.127 600 HD22 ASN 76 2HD2 ASN 76 -9.963 -5.687 -1.304 601 HA PRO 77 HA PRO 77 -4.906 -10.750 2.308 602 HB2 PRO 77 2HB PRO 77 -3.750 -9.719 4.512 603 HB3 PRO 77 1HB PRO 77 -3.575 -8.972 2.923 604 HG2 PRO 77 2HG PRO 77 -5.112 -8.059 5.253 605 HG3 PRO 77 1HG PRO 77 -4.539 -7.139 3.856 606 HD2 PRO 77 2HD PRO 77 -7.169 -8.240 4.337 607 HD3 PRO 77 1HD PRO 77 -6.636 -7.219 2.994 608 H MET 78 H MET 78 -6.981 -9.739 4.998 609 HA MET 78 HA MET 78 -6.401 -11.862 6.739 610 HB2 MET 78 2HB MET 78 -7.569 -9.806 7.432 611 HB3 MET 78 1HB MET 78 -8.968 -10.286 6.482 612 HG2 MET 78 2HG MET 78 -9.408 -12.131 7.906 613 HG3 MET 78 1HG MET 78 -7.866 -11.937 8.737 614 HE1 MET 78 3HE MET 78 -11.730 -9.678 9.122 615 HE2 MET 78 1HE MET 78 -11.621 -11.291 9.829 616 HE3 MET 78 2HE MET 78 -11.288 -11.056 8.113 617 H ALA 79 H ALA 79 -8.193 -11.769 3.830 618 HA ALA 79 HA ALA 79 -8.567 -14.547 3.738 619 HB1 ALA 79 1HB ALA 79 -10.762 -13.003 4.961 620 HB2 ALA 79 2HB ALA 79 -10.317 -14.698 5.156 621 HB3 ALA 79 3HB ALA 79 -11.233 -14.186 3.739 622 H LYS 80 H LYS 80 -7.569 -12.688 1.970 623 HA LYS 80 HA LYS 80 -8.615 -11.388 0.055 624 HB2 LYS 80 2HB LYS 80 -7.319 -14.045 -0.587 625 HB3 LYS 80 1HB LYS 80 -7.515 -12.714 -1.719 626 HG2 LYS 80 2HG LYS 80 -6.088 -12.211 0.843 627 HG3 LYS 80 1HG LYS 80 -5.259 -13.093 -0.440 628 HD2 LYS 80 2HD LYS 80 -5.324 -11.286 -1.898 629 HD3 LYS 80 1HD LYS 80 -6.658 -10.515 -1.038 630 HE2 LYS 80 2HE LYS 80 -4.508 -9.351 -0.709 631 HE3 LYS 80 1HE LYS 80 -5.199 -9.948 0.799 632 HZ1 LYS 80 3HZ LYS 80 -2.954 -11.126 -0.740 633 HZ2 LYS 80 1HZ LYS 80 -3.710 -11.913 0.554 634 HZ3 LYS 80 2HZ LYS 80 -2.897 -10.452 0.811 635 H282 PNS 101 8H2 PNS 101 0.593 15.725 -10.166 636 H281 PNS 101 9H2 PNS 101 0.396 13.995 -10.464 637 H303 PNS 101 0H3 PNS 101 4.059 15.924 -10.567 638 H302 PNS 101 1H3 PNS 101 2.854 16.557 -9.445 639 H301 PNS 101 2H3 PNS 101 2.513 16.519 -11.175 640 H313 PNS 101 3H3 PNS 101 4.144 14.216 -9.050 641 H312 PNS 101 4H3 PNS 101 3.079 12.831 -9.287 642 H311 PNS 101 5H3 PNS 101 2.623 14.111 -8.162 643 H32 PNS 101 6H3 PNS 101 1.846 13.091 -11.357 644 H33 PNS 101 7H3 PNS 101 1.325 15.095 -12.370 645 H36 PNS 101 8H3 PNS 101 5.356 13.245 -10.497 646 H372 PNS 101 9H3 PNS 101 6.075 15.289 -11.245 647 H371 PNS 101 0H4 PNS 101 4.601 15.432 -12.201 648 H382 PNS 101 1H4 PNS 101 7.124 14.992 -13.189 649 H381 PNS 101 2H4 PNS 101 6.420 13.375 -13.182 650 H41 PNS 101 3H4 PNS 101 3.664 15.611 -14.135 651 H422 PNS 101 4H4 PNS 101 6.099 17.230 -14.465 652 H421 PNS 101 5H4 PNS 101 4.453 17.790 -14.756 653 H431 PNS 101 7H4 PNS 101 4.130 17.264 -12.214 654 H432 PNS 101 6H4 PNS 101 5.894 17.400 -12.168 655 H44 PNS 101 8H4 PNS 101 4.585 19.746 -11.784
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