NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10399 | 1ppx | 5866 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -10.985 -23.395 -1.861 2 2H MET 1 HT2 MET 1 -10.607 -22.445 -3.240 3 3H MET 1 HT3 MET 1 -11.346 -21.719 -1.871 4 HA MET 1 HA MET 1 -9.468 -21.913 -0.591 5 1HB MET 1 HB2 MET 1 -9.129 -24.290 -1.742 6 2HB MET 1 HB1 MET 1 -7.958 -23.392 -2.697 7 1HG MET 1 HG2 MET 1 -7.049 -22.594 -0.422 8 2HG MET 1 HG1 MET 1 -7.964 -23.949 0.238 9 1HE MET 1 HE1 MET 1 -3.946 -23.876 -1.614 10 2HE MET 1 HE2 MET 1 -5.099 -22.559 -1.394 11 3HE MET 1 HE3 MET 1 -5.116 -23.506 -2.881 12 H LYS 2 HN LYS 2 -10.432 -20.023 -2.442 13 HA LYS 2 HA LYS 2 -8.290 -19.141 -4.138 14 1HB LYS 2 HB2 LYS 2 -9.715 -17.161 -4.520 15 2HB LYS 2 HB1 LYS 2 -10.586 -18.668 -4.765 16 1HG LYS 2 HG2 LYS 2 -11.117 -18.175 -2.150 17 2HG LYS 2 HG1 LYS 2 -11.012 -16.538 -2.800 18 1HD LYS 2 HD2 LYS 2 -12.602 -17.257 -4.604 19 2HD LYS 2 HD1 LYS 2 -12.813 -18.771 -3.723 20 1HE LYS 2 HE2 LYS 2 -14.489 -17.703 -2.685 21 2HE LYS 2 HE1 LYS 2 -13.210 -16.917 -1.761 22 1HZ LYS 2 HZ1 LYS 2 -14.427 -15.847 -4.250 23 2HZ LYS 2 HZ2 LYS 2 -13.241 -15.084 -3.316 24 3HZ LYS 2 HZ3 LYS 2 -14.791 -15.324 -2.682 25 H LYS 3 HN LYS 3 -6.658 -17.819 -3.664 26 HA LYS 3 HA LYS 3 -6.750 -16.339 -1.117 27 1HB LYS 3 HB2 LYS 3 -4.376 -16.749 -0.824 28 2HB LYS 3 HB1 LYS 3 -5.227 -18.278 -0.989 29 1HG LYS 3 HG2 LYS 3 -4.480 -17.594 -3.583 30 2HG LYS 3 HG1 LYS 3 -3.089 -17.181 -2.579 31 1HD LYS 3 HD2 LYS 3 -2.539 -19.343 -2.708 32 2HD LYS 3 HD1 LYS 3 -3.874 -19.632 -1.591 33 1HE LYS 3 HE2 LYS 3 -4.084 -21.111 -3.482 34 2HE LYS 3 HE1 LYS 3 -5.383 -19.920 -3.526 35 1HZ LYS 3 HZ1 LYS 3 -2.885 -19.468 -5.027 36 2HZ LYS 3 HZ2 LYS 3 -4.423 -18.817 -5.300 37 3HZ LYS 3 HZ3 LYS 3 -4.111 -20.437 -5.676 38 H LEU 4 HN LEU 4 -6.613 -14.218 -1.365 39 HA LEU 4 HA LEU 4 -5.423 -13.171 -3.846 40 1HB LEU 4 HB2 LEU 4 -6.821 -11.233 -3.593 41 2HB LEU 4 HB1 LEU 4 -7.816 -12.673 -3.496 42 HG LEU 4 HG LEU 4 -7.375 -12.294 -0.876 43 1HD1 LEU 4 1HD1 LEU 4 -6.823 -10.220 -0.251 44 2HD1 LEU 4 2HD1 LEU 4 -7.819 -9.476 -1.502 45 3HD1 LEU 4 3HD1 LEU 4 -6.196 -10.045 -1.890 46 1HD2 LEU 4 1HD2 LEU 4 -9.567 -11.297 -0.768 47 2HD2 LEU 4 2HD2 LEU 4 -9.544 -12.511 -2.047 48 3HD2 LEU 4 3HD2 LEU 4 -9.463 -10.798 -2.456 49 H GLN 5 HN GLN 5 -3.587 -12.077 -3.703 50 HA GLN 5 HA GLN 5 -2.660 -11.230 -1.058 51 1HB GLN 5 HB2 GLN 5 -1.012 -11.424 -3.570 52 2HB GLN 5 HB1 GLN 5 -0.437 -11.300 -1.915 53 1HG GLN 5 HG2 GLN 5 -1.535 -13.513 -1.485 54 2HG GLN 5 HG1 GLN 5 -1.811 -13.623 -3.216 55 1HE2 GLN 5 1HE2 GLN 5 -0.439 -15.619 -2.292 56 2HE2 GLN 5 2HE2 GLN 5 1.251 -15.484 -2.622 57 H ILE 6 HN ILE 6 -1.738 -9.225 -0.729 58 HA ILE 6 HA ILE 6 -2.069 -7.190 -2.795 59 HB ILE 6 HB ILE 6 -3.201 -6.958 0.001 60 1HG1 ILE 6 2HG1 ILE 6 -5.050 -6.319 -2.095 61 2HG1 ILE 6 1HG1 ILE 6 -4.347 -7.898 -2.422 62 1HG2 ILE 6 1HG2 ILE 6 -3.062 -4.909 -2.202 63 2HG2 ILE 6 2HG2 ILE 6 -2.162 -4.880 -0.688 64 3HG2 ILE 6 3HG2 ILE 6 -3.917 -4.714 -0.672 65 1HD1 ILE 6 1HD1 ILE 6 -6.489 -7.784 -1.037 66 2HD1 ILE 6 2HD1 ILE 6 -5.452 -7.224 0.274 67 3HD1 ILE 6 3HD1 ILE 6 -5.179 -8.808 -0.452 68 H ALA 7 HN ALA 7 -0.398 -5.795 -2.828 69 HA ALA 7 HA ALA 7 1.378 -5.720 -0.470 70 1HB ALA 7 HB1 ALA 7 2.000 -6.305 -3.283 71 2HB ALA 7 HB2 ALA 7 2.873 -6.738 -1.815 72 3HB ALA 7 HB3 ALA 7 3.068 -5.133 -2.515 73 H VAL 8 HN VAL 8 1.613 -3.737 0.340 74 HA VAL 8 HA VAL 8 1.175 -1.457 -1.464 75 HB VAL 8 HB VAL 8 -0.723 -1.066 -0.347 76 1HG1 VAL 8 1HG1 VAL 8 -0.710 -3.304 0.643 77 2HG1 VAL 8 2HG1 VAL 8 -1.376 -2.104 1.751 78 3HG1 VAL 8 3HG1 VAL 8 0.267 -2.705 1.984 79 1HG2 VAL 8 1HG2 VAL 8 -0.536 0.224 1.715 80 2HG2 VAL 8 2HG2 VAL 8 0.697 0.709 0.553 81 3HG2 VAL 8 3HG2 VAL 8 1.128 -0.319 1.919 82 H GLY 9 HN GLY 9 2.132 0.525 -0.828 83 1HA GLY 9 HA2 GLY 9 4.220 0.427 1.204 84 2HA GLY 9 HA1 GLY 9 4.737 0.690 -0.457 85 H ILE 10 HN ILE 10 3.966 2.253 2.342 86 HA ILE 10 HA ILE 10 2.492 4.471 1.348 87 HB ILE 10 HB ILE 10 3.750 5.508 3.492 88 1HG1 ILE 10 2HG1 ILE 10 3.508 2.621 4.277 89 2HG1 ILE 10 1HG1 ILE 10 5.029 3.284 3.685 90 1HG2 ILE 10 1HG2 ILE 10 1.608 3.666 4.263 91 2HG2 ILE 10 2HG2 ILE 10 1.239 4.714 2.893 92 3HG2 ILE 10 3HG2 ILE 10 1.718 5.417 4.438 93 1HD1 ILE 10 1HD1 ILE 10 3.516 4.051 6.160 94 2HD1 ILE 10 2HD1 ILE 10 4.852 5.003 5.512 95 3HD1 ILE 10 3HD1 ILE 10 5.126 3.342 6.038 96 H ILE 11 HN ILE 11 3.307 5.712 -0.222 97 HA ILE 11 HA ILE 11 6.092 5.988 -0.706 98 HB ILE 11 HB ILE 11 4.235 8.003 -1.849 99 1HG1 ILE 11 2HG1 ILE 11 4.105 5.042 -2.420 100 2HG1 ILE 11 1HG1 ILE 11 2.779 6.140 -2.055 101 1HG2 ILE 11 1HG2 ILE 11 6.053 6.334 -3.476 102 2HG2 ILE 11 2HG2 ILE 11 6.803 7.412 -2.300 103 3HG2 ILE 11 3HG2 ILE 11 5.736 8.067 -3.543 104 1HD1 ILE 11 1HD1 ILE 11 4.428 6.176 -4.570 105 2HD1 ILE 11 2HD1 ILE 11 3.054 7.221 -4.208 106 3HD1 ILE 11 3HD1 ILE 11 2.813 5.485 -4.407 107 H ARG 12 HN ARG 12 7.513 7.383 0.056 108 HA ARG 12 HA ARG 12 6.610 9.431 1.914 109 1HB ARG 12 HB2 ARG 12 9.035 7.849 1.545 110 2HB ARG 12 HB1 ARG 12 9.372 9.546 1.860 111 1HG ARG 12 HG2 ARG 12 7.343 8.661 3.652 112 2HG ARG 12 HG1 ARG 12 8.689 7.527 3.701 113 1HD ARG 12 HD2 ARG 12 9.594 10.281 3.676 114 2HD ARG 12 HD1 ARG 12 8.515 9.955 5.031 115 HE ARG 12 HE ARG 12 10.236 7.877 5.112 116 1HH1 ARG 12 1HH1 ARG 12 10.690 11.334 4.970 117 2HH1 ARG 12 2HH1 ARG 12 12.185 11.299 5.844 118 1HH2 ARG 12 1HH2 ARG 12 12.202 7.828 6.262 119 2HH2 ARG 12 2HH2 ARG 12 13.044 9.308 6.577 120 H ASN 13 HN ASN 13 6.495 11.485 1.449 121 HA ASN 13 HA ASN 13 7.333 12.462 -1.139 122 1HB ASN 13 HB2 ASN 13 5.130 12.989 0.229 123 2HB ASN 13 HB1 ASN 13 6.129 14.280 0.839 124 1HD2 ASN 13 1HD2 ASN 13 4.293 15.446 -0.267 125 2HD2 ASN 13 2HD2 ASN 13 4.540 15.873 -1.922 126 H GLU 14 HN GLU 14 7.792 14.990 -0.835 127 HA GLU 14 HA GLU 14 10.507 15.111 0.075 128 1HB GLU 14 HB2 GLU 14 9.979 16.215 -1.965 129 2HB GLU 14 HB1 GLU 14 8.625 17.069 -1.232 130 1HG GLU 14 HG2 GLU 14 10.611 18.488 -1.672 131 2HG GLU 14 HG1 GLU 14 10.104 18.472 0.015 132 H ASN 15 HN ASN 15 7.641 15.445 1.716 133 HA ASN 15 HA ASN 15 8.922 17.158 3.729 134 1HB ASN 15 HB2 ASN 15 7.241 18.466 2.437 135 2HB ASN 15 HB1 ASN 15 6.002 17.325 2.956 136 1HD2 ASN 15 1HD2 ASN 15 5.499 19.822 3.551 137 2HD2 ASN 15 2HD2 ASN 15 5.772 20.166 5.222 138 H ASN 16 HN ASN 16 9.095 14.489 3.934 139 HA ASN 16 HA ASN 16 8.555 12.629 5.148 140 1HB ASN 16 HB2 ASN 16 8.272 13.047 7.526 141 2HB ASN 16 HB1 ASN 16 9.464 14.159 6.863 142 1HD2 ASN 16 1HD2 ASN 16 6.099 13.864 7.844 143 2HD2 ASN 16 2HD2 ASN 16 5.878 15.531 8.240 144 H GLU 17 HN GLU 17 6.381 13.716 3.511 145 HA GLU 17 HA GLU 17 4.085 12.685 5.045 146 1HB GLU 17 HB2 GLU 17 2.716 14.046 3.358 147 2HB GLU 17 HB1 GLU 17 3.571 14.940 4.606 148 1HG GLU 17 HG2 GLU 17 5.394 15.357 2.966 149 2HG GLU 17 HG1 GLU 17 4.386 14.602 1.731 150 H ILE 18 HN ILE 18 2.631 11.298 3.935 151 HA ILE 18 HA ILE 18 3.733 10.192 1.439 152 HB ILE 18 HB ILE 18 4.124 8.503 2.993 153 1HG1 ILE 18 2HG1 ILE 18 2.597 7.912 0.932 154 2HG1 ILE 18 1HG1 ILE 18 2.945 6.703 2.158 155 1HG2 ILE 18 1HG2 ILE 18 1.978 7.776 4.431 156 2HG2 ILE 18 2HG2 ILE 18 1.678 9.508 4.280 157 3HG2 ILE 18 3HG2 ILE 18 3.189 8.931 4.984 158 1HD1 ILE 18 1HD1 ILE 18 0.502 7.149 1.250 159 2HD1 ILE 18 2HD1 ILE 18 0.520 8.357 2.533 160 3HD1 ILE 18 3HD1 ILE 18 0.811 6.662 2.915 161 H PHE 19 HN PHE 19 2.333 9.524 -0.157 162 HA PHE 19 HA PHE 19 -0.317 10.742 -0.025 163 1HB PHE 19 HB2 PHE 19 0.136 11.359 -2.130 164 2HB PHE 19 HB1 PHE 19 1.675 10.514 -2.049 165 HD1 PHE 19 HD1 PHE 19 -1.748 10.419 -3.270 166 HD2 PHE 19 HD2 PHE 19 1.899 8.253 -2.943 167 HE1 PHE 19 HE1 PHE 19 -2.532 8.845 -4.993 168 HE2 PHE 19 HE2 PHE 19 1.121 6.676 -4.665 169 HZ PHE 19 HZ PHE 19 -1.097 6.972 -5.692 170 H ILE 20 HN ILE 20 -1.985 9.510 0.513 171 HA ILE 20 HA ILE 20 -1.857 6.629 -0.071 172 HB ILE 20 HB ILE 20 -4.046 7.108 1.635 173 1HG1 ILE 20 2HG1 ILE 20 -1.554 8.490 2.658 174 2HG1 ILE 20 1HG1 ILE 20 -3.040 9.303 2.179 175 1HG2 ILE 20 1HG2 ILE 20 -3.017 5.557 3.014 176 2HG2 ILE 20 2HG2 ILE 20 -1.396 6.118 2.602 177 3HG2 ILE 20 3HG2 ILE 20 -2.334 5.195 1.429 178 1HD1 ILE 20 1HD1 ILE 20 -4.086 8.791 4.096 179 2HD1 ILE 20 2HD1 ILE 20 -2.440 8.618 4.706 180 3HD1 ILE 20 3HD1 ILE 20 -3.348 7.193 4.199 181 H THR 21 HN THR 21 -3.966 5.608 -0.621 182 HA THR 21 HA THR 21 -5.454 7.361 -2.440 183 HB THR 21 HB THR 21 -4.690 5.518 -3.652 184 HG1 THR 21 HG1 THR 21 -7.225 4.616 -2.776 185 1HG2 THR 21 1HG2 THR 21 -5.004 3.166 -2.927 186 2HG2 THR 21 2HG2 THR 21 -5.479 3.770 -1.339 187 3HG2 THR 21 3HG2 THR 21 -3.855 4.080 -1.951 188 H ARG 22 HN ARG 22 -7.412 8.053 -1.905 189 HA ARG 22 HA ARG 22 -8.851 6.648 0.239 190 1HB ARG 22 HB2 ARG 22 -8.280 9.031 0.648 191 2HB ARG 22 HB1 ARG 22 -9.204 9.477 -0.778 192 1HG ARG 22 HG2 ARG 22 -11.217 8.470 0.325 193 2HG ARG 22 HG1 ARG 22 -10.244 8.305 1.788 194 1HD ARG 22 HD2 ARG 22 -10.965 10.848 0.342 195 2HD ARG 22 HD1 ARG 22 -11.519 10.334 1.933 196 HE ARG 22 HE ARG 22 -8.968 11.521 1.267 197 1HH1 ARG 22 1HH1 ARG 22 -10.794 9.702 3.624 198 2HH1 ARG 22 2HH1 ARG 22 -9.767 10.146 4.944 199 1HH2 ARG 22 1HH2 ARG 22 -7.617 12.102 3.004 200 2HH2 ARG 22 2HH2 ARG 22 -7.963 11.506 4.594 201 H ARG 23 HN ARG 23 -11.226 6.533 0.009 202 HA ARG 23 HA ARG 23 -11.934 5.566 -2.577 203 1HB ARG 23 HB2 ARG 23 -13.432 5.995 -0.012 204 2HB ARG 23 HB1 ARG 23 -14.309 5.605 -1.485 205 1HG ARG 23 HG2 ARG 23 -12.189 3.941 -0.145 206 2HG ARG 23 HG1 ARG 23 -13.913 3.589 -0.254 207 1HD ARG 23 HD2 ARG 23 -13.615 3.593 -2.769 208 2HD ARG 23 HD1 ARG 23 -11.878 3.606 -2.469 209 HE ARG 23 HE ARG 23 -13.678 1.386 -2.158 210 1HH1 ARG 23 1HH1 ARG 23 -10.620 2.754 -1.177 211 2HH1 ARG 23 2HH1 ARG 23 -9.935 1.226 -0.739 212 1HH2 ARG 23 1HH2 ARG 23 -12.778 -0.625 -1.581 213 2HH2 ARG 23 2HH2 ARG 23 -11.159 -0.692 -0.968 214 H ALA 24 HN ALA 24 -11.129 7.807 -3.384 215 HA ALA 24 HA ALA 24 -11.511 9.806 -4.352 216 1HB ALA 24 HB1 ALA 24 -12.731 8.972 -6.045 217 2HB ALA 24 HB2 ALA 24 -14.065 9.814 -5.257 218 3HB ALA 24 HB3 ALA 24 -13.817 8.092 -4.970 219 H ALA 25 HN ALA 25 -14.888 9.553 -3.346 220 HA ALA 25 HA ALA 25 -14.628 11.216 -1.052 221 1HB ALA 25 HB1 ALA 25 -16.108 13.045 -2.325 222 2HB ALA 25 HB2 ALA 25 -15.113 12.492 -3.673 223 3HB ALA 25 HB3 ALA 25 -14.350 13.135 -2.218 224 H ASP 26 HN ASP 26 -15.933 9.546 -0.213 225 HA ASP 26 HA ASP 26 -17.882 8.566 0.420 226 1HB ASP 26 HB2 ASP 26 -18.469 11.304 -0.053 227 2HB ASP 26 HB1 ASP 26 -19.838 10.350 -0.610 228 H ALA 27 HN ALA 27 -20.347 8.269 -0.609 229 HA ALA 27 HA ALA 27 -21.539 7.068 -2.130 230 1HB ALA 27 HB1 ALA 27 -21.670 7.990 -4.187 231 2HB ALA 27 HB2 ALA 27 -19.924 7.958 -4.434 232 3HB ALA 27 HB3 ALA 27 -20.652 9.229 -3.453 233 H HIS 28 HN HIS 28 -18.976 5.992 -1.012 234 HA HIS 28 HA HIS 28 -18.966 3.504 -2.261 235 1HB HIS 28 HB2 HIS 28 -17.488 5.424 -3.730 236 2HB HIS 28 HB1 HIS 28 -16.314 4.357 -2.968 237 HD1 HIS 28 HD1 HIS 28 -18.377 1.842 -3.206 238 HD2 HIS 28 HD2 HIS 28 -16.965 4.296 -6.248 239 HE1 HIS 28 HE1 HIS 28 -18.598 0.491 -5.316 240 HE2 HIS 28 HE2 HIS 28 -17.660 1.966 -7.131 241 H MET 29 HN MET 29 -18.961 4.538 0.349 242 HA MET 29 HA MET 29 -18.069 4.131 2.400 243 1HB MET 29 HB2 MET 29 -17.525 1.880 0.914 244 2HB MET 29 HB1 MET 29 -15.935 2.321 1.521 245 1HG MET 29 HG2 MET 29 -16.716 0.905 3.154 246 2HG MET 29 HG1 MET 29 -17.118 2.491 3.810 247 1HE MET 29 HE1 MET 29 -18.745 -0.935 2.368 248 2HE MET 29 HE2 MET 29 -19.802 -0.881 3.780 249 3HE MET 29 HE3 MET 29 -18.059 -0.699 3.976 250 H ALA 30 HN ALA 30 -17.250 6.278 2.461 251 HA ALA 30 HA ALA 30 -14.665 6.970 1.521 252 1HB ALA 30 HB1 ALA 30 -15.814 8.496 3.777 253 2HB ALA 30 HB2 ALA 30 -16.771 8.416 2.298 254 3HB ALA 30 HB3 ALA 30 -15.130 9.061 2.252 255 H ASN 31 HN ASN 31 -15.582 5.039 4.117 256 HA ASN 31 HA ASN 31 -13.336 5.786 5.807 257 1HB ASN 31 HB2 ASN 31 -15.861 4.441 6.187 258 2HB ASN 31 HB1 ASN 31 -14.546 3.467 6.834 259 1HD2 ASN 31 1HD2 ASN 31 -14.765 6.979 6.639 260 2HD2 ASN 31 2HD2 ASN 31 -14.726 7.256 8.343 261 H LYS 32 HN LYS 32 -13.024 4.482 3.091 262 HA LYS 32 HA LYS 32 -11.520 2.123 3.982 263 1HB LYS 32 HB2 LYS 32 -13.251 2.573 1.656 264 2HB LYS 32 HB1 LYS 32 -11.716 1.801 1.274 265 1HG LYS 32 HG2 LYS 32 -12.171 -0.037 2.664 266 2HG LYS 32 HG1 LYS 32 -13.508 0.795 3.459 267 1HD LYS 32 HD2 LYS 32 -14.634 0.841 1.177 268 2HD LYS 32 HD1 LYS 32 -13.397 -0.307 0.663 269 1HE LYS 32 HE2 LYS 32 -14.212 -1.507 2.919 270 2HE LYS 32 HE1 LYS 32 -15.703 -0.676 2.476 271 1HZ LYS 32 HZ1 LYS 32 -14.271 -2.212 0.424 272 2HZ LYS 32 HZ2 LYS 32 -15.927 -1.902 0.575 273 3HZ LYS 32 HZ3 LYS 32 -15.189 -3.050 1.573 274 H LEU 33 HN LEU 33 -10.674 4.919 3.919 275 HA LEU 33 HA LEU 33 -8.973 5.548 1.818 276 1HB LEU 33 HB2 LEU 33 -9.658 6.879 3.946 277 2HB LEU 33 HB1 LEU 33 -8.245 6.139 4.664 278 HG LEU 33 HG LEU 33 -8.362 8.100 2.391 279 1HD1 LEU 33 1HD1 LEU 33 -7.094 9.495 3.775 280 2HD1 LEU 33 2HD1 LEU 33 -6.660 8.173 4.858 281 3HD1 LEU 33 3HD1 LEU 33 -8.311 8.792 4.840 282 1HD2 LEU 33 1HD2 LEU 33 -5.961 6.500 3.271 283 2HD2 LEU 33 2HD2 LEU 33 -5.968 7.803 2.083 284 3HD2 LEU 33 3HD2 LEU 33 -6.826 6.299 1.746 285 H GLU 34 HN GLU 34 -7.796 3.816 1.032 286 HA GLU 34 HA GLU 34 -5.859 2.601 2.883 287 1HB GLU 34 HB2 GLU 34 -7.693 1.364 1.227 288 2HB GLU 34 HB1 GLU 34 -6.194 1.248 0.317 289 1HG GLU 34 HG2 GLU 34 -5.109 0.152 2.178 290 2HG GLU 34 HG1 GLU 34 -6.555 0.348 3.167 291 H PHE 35 HN PHE 35 -4.142 1.465 1.065 292 HA PHE 35 HA PHE 35 -2.940 3.815 -0.240 293 1HB PHE 35 HB2 PHE 35 -1.056 1.697 0.480 294 2HB PHE 35 HB1 PHE 35 -0.946 3.430 0.733 295 HD1 PHE 35 HD1 PHE 35 -2.831 0.497 2.087 296 HD2 PHE 35 HD2 PHE 35 -0.853 4.178 2.891 297 HE1 PHE 35 HE1 PHE 35 -3.214 0.172 4.494 298 HE2 PHE 35 HE2 PHE 35 -1.235 3.860 5.299 299 HZ PHE 35 HZ PHE 35 -2.416 1.855 6.104 300 HA PRO 36 HA PRO 36 -2.586 1.679 -4.090 301 1HB PRO 36 HB2 PRO 36 0.002 2.164 -4.823 302 2HB PRO 36 HB1 PRO 36 -1.285 3.365 -4.933 303 1HG PRO 36 HG2 PRO 36 0.795 3.008 -2.812 304 2HG PRO 36 HG1 PRO 36 0.211 4.504 -3.567 305 1HD PRO 36 HD2 PRO 36 -0.628 3.729 -1.137 306 2HD PRO 36 HD1 PRO 36 -1.710 4.555 -2.276 307 H GLY 37 HN GLY 37 -1.363 -0.057 -5.277 308 1HA GLY 37 HA2 GLY 37 0.230 -1.856 -5.214 309 2HA GLY 37 HA1 GLY 37 0.233 -1.725 -3.482 310 H GLY 38 HN GLY 38 -2.147 -2.233 -5.977 311 1HA GLY 38 HA2 GLY 38 -3.177 -4.558 -4.481 312 2HA GLY 38 HA1 GLY 38 -4.224 -3.445 -5.356 313 H LYS 39 HN LYS 39 -3.502 -6.444 -5.581 314 HA LYS 39 HA LYS 39 -3.861 -7.843 -7.381 315 1HB LYS 39 HB2 LYS 39 -4.579 -5.932 -8.795 316 2HB LYS 39 HB1 LYS 39 -2.891 -5.619 -9.178 317 1HG LYS 39 HG2 LYS 39 -2.866 -7.173 -10.748 318 2HG LYS 39 HG1 LYS 39 -3.570 -8.376 -9.667 319 1HD LYS 39 HD2 LYS 39 -5.058 -8.092 -11.521 320 2HD LYS 39 HD1 LYS 39 -5.806 -7.351 -10.105 321 1HE LYS 39 HE2 LYS 39 -4.121 -5.561 -11.720 322 2HE LYS 39 HE1 LYS 39 -5.575 -6.151 -12.524 323 1HZ LYS 39 HZ1 LYS 39 -6.790 -5.416 -10.450 324 2HZ LYS 39 HZ2 LYS 39 -6.201 -4.185 -11.449 325 3HZ LYS 39 HZ3 LYS 39 -5.381 -4.580 -10.025 326 H ILE 40 HN ILE 40 -1.176 -6.716 -6.035 327 HA ILE 40 HA ILE 40 0.938 -7.426 -7.694 328 HB ILE 40 HB ILE 40 2.339 -7.450 -5.842 329 1HG1 ILE 40 2HG1 ILE 40 0.375 -7.677 -3.673 330 2HG1 ILE 40 1HG1 ILE 40 0.471 -9.121 -4.671 331 1HG2 ILE 40 1HG2 ILE 40 0.596 -5.421 -6.173 332 2HG2 ILE 40 2HG2 ILE 40 1.933 -5.396 -5.025 333 3HG2 ILE 40 3HG2 ILE 40 0.310 -5.821 -4.483 334 1HD1 ILE 40 1HD1 ILE 40 2.058 -8.602 -2.549 335 2HD1 ILE 40 2HD1 ILE 40 3.063 -8.032 -3.882 336 3HD1 ILE 40 3HD1 ILE 40 2.467 -9.691 -3.872 337 H GLU 41 HN GLU 41 -1.297 -9.330 -5.961 338 HA GLU 41 HA GLU 41 -0.123 -11.737 -5.564 339 1HB GLU 41 HB2 GLU 41 -2.461 -12.674 -6.332 340 2HB GLU 41 HB1 GLU 41 -2.303 -11.724 -4.870 341 1HG GLU 41 HG2 GLU 41 -3.743 -10.240 -5.624 342 2HG GLU 41 HG1 GLU 41 -2.784 -9.957 -7.065 343 H MET 42 HN MET 42 -2.241 -11.589 -8.378 344 HA MET 42 HA MET 42 -2.114 -12.807 -10.332 345 1HB MET 42 HB2 MET 42 0.341 -11.059 -10.326 346 2HB MET 42 HB1 MET 42 -0.153 -11.987 -11.736 347 1HG MET 42 HG2 MET 42 -1.809 -9.890 -10.354 348 2HG MET 42 HG1 MET 42 -0.899 -9.666 -11.847 349 1HE MET 42 HE1 MET 42 -2.047 -13.071 -12.963 350 2HE MET 42 HE2 MET 42 -1.034 -11.737 -13.516 351 3HE MET 42 HE3 MET 42 -2.582 -12.051 -14.298 352 H GLY 43 HN GLY 43 1.387 -12.697 -9.891 353 1HA GLY 43 HA2 GLY 43 1.674 -15.375 -8.987 354 2HA GLY 43 HA1 GLY 43 1.871 -15.283 -10.722 355 H GLU 44 HN GLU 44 2.792 -12.737 -8.553 356 HA GLU 44 HA GLU 44 5.531 -12.941 -9.520 357 1HB GLU 44 HB2 GLU 44 3.904 -10.854 -8.168 358 2HB GLU 44 HB1 GLU 44 5.644 -10.810 -7.919 359 1HG GLU 44 HG2 GLU 44 6.024 -10.016 -9.961 360 2HG GLU 44 HG1 GLU 44 4.920 -11.168 -10.709 361 H THR 45 HN THR 45 7.119 -12.054 -7.577 362 HA THR 45 HA THR 45 6.969 -14.193 -5.577 363 HB THR 45 HB THR 45 9.433 -12.677 -5.537 364 HG1 THR 45 HG1 THR 45 9.961 -12.623 -7.568 365 1HG2 THR 45 1HG2 THR 45 10.130 -15.083 -6.527 366 2HG2 THR 45 2HG2 THR 45 8.595 -15.477 -5.751 367 3HG2 THR 45 3HG2 THR 45 9.894 -14.741 -4.812 368 HA PRO 46 HA PRO 46 6.060 -11.727 -2.050 369 1HB PRO 46 HB2 PRO 46 8.447 -12.188 -0.584 370 2HB PRO 46 HB1 PRO 46 6.916 -13.048 -0.432 371 1HG PRO 46 HG2 PRO 46 9.356 -13.789 -1.953 372 2HG PRO 46 HG1 PRO 46 8.169 -14.831 -1.148 373 1HD PRO 46 HD2 PRO 46 8.208 -14.604 -3.802 374 2HD PRO 46 HD1 PRO 46 6.668 -14.696 -2.926 375 H GLU 47 HN GLU 47 9.141 -11.346 -3.666 376 HA GLU 47 HA GLU 47 9.422 -8.647 -2.553 377 1HB GLU 47 HB2 GLU 47 11.291 -10.711 -3.414 378 2HB GLU 47 HB1 GLU 47 11.674 -9.130 -4.079 379 1HG GLU 47 HG2 GLU 47 11.882 -8.172 -1.926 380 2HG GLU 47 HG1 GLU 47 11.180 -9.593 -1.153 381 H GLN 48 HN GLN 48 9.311 -10.383 -5.657 382 HA GLN 48 HA GLN 48 9.538 -7.959 -7.185 383 1HB GLN 48 HB2 GLN 48 9.060 -10.842 -7.847 384 2HB GLN 48 HB1 GLN 48 8.810 -9.604 -9.071 385 1HG GLN 48 HG2 GLN 48 11.345 -9.303 -7.694 386 2HG GLN 48 HG1 GLN 48 11.182 -10.873 -8.479 387 1HE2 GLN 48 1HE2 GLN 48 12.054 -7.695 -8.895 388 2HE2 GLN 48 2HE2 GLN 48 12.036 -7.630 -10.621 389 H ALA 49 HN ALA 49 6.960 -9.663 -5.704 390 HA ALA 49 HA ALA 49 4.833 -9.071 -7.411 391 1HB ALA 49 HB1 ALA 49 4.613 -9.125 -4.416 392 2HB ALA 49 HB2 ALA 49 4.817 -10.584 -5.387 393 3HB ALA 49 HB3 ALA 49 3.393 -9.567 -5.612 394 H VAL 50 HN VAL 50 6.127 -7.183 -4.690 395 HA VAL 50 HA VAL 50 4.291 -5.022 -5.165 396 HB VAL 50 HB VAL 50 5.083 -4.029 -3.262 397 1HG1 VAL 50 1HG1 VAL 50 4.741 -6.699 -3.059 398 2HG1 VAL 50 2HG1 VAL 50 5.021 -5.629 -1.685 399 3HG1 VAL 50 3HG1 VAL 50 6.364 -6.527 -2.391 400 1HG2 VAL 50 1HG2 VAL 50 7.394 -4.175 -2.424 401 2HG2 VAL 50 2HG2 VAL 50 7.319 -3.538 -4.068 402 3HG2 VAL 50 3HG2 VAL 50 7.810 -5.209 -3.792 403 H VAL 51 HN VAL 51 7.750 -5.570 -5.680 404 HA VAL 51 HA VAL 51 8.494 -3.087 -6.633 405 HB VAL 51 HB VAL 51 9.543 -5.741 -7.628 406 1HG1 VAL 51 1HG1 VAL 51 10.738 -4.408 -8.970 407 2HG1 VAL 51 2HG1 VAL 51 11.650 -4.003 -7.514 408 3HG1 VAL 51 3HG1 VAL 51 10.332 -2.959 -8.050 409 1HG2 VAL 51 1HG2 VAL 51 10.708 -6.025 -5.725 410 2HG2 VAL 51 2HG2 VAL 51 9.466 -4.989 -5.025 411 3HG2 VAL 51 3HG2 VAL 51 11.007 -4.300 -5.530 412 H ARG 52 HN ARG 52 6.923 -5.738 -8.355 413 HA ARG 52 HA ARG 52 7.176 -4.450 -10.898 414 1HB ARG 52 HB2 ARG 52 6.220 -7.001 -9.916 415 2HB ARG 52 HB1 ARG 52 5.113 -6.330 -11.103 416 1HG ARG 52 HG2 ARG 52 7.914 -6.144 -11.894 417 2HG ARG 52 HG1 ARG 52 7.349 -7.799 -11.656 418 1HD ARG 52 HD2 ARG 52 5.998 -7.730 -13.454 419 2HD ARG 52 HD1 ARG 52 5.498 -6.068 -13.138 420 HE ARG 52 HE ARG 52 7.149 -5.331 -14.547 421 1HH1 ARG 52 1HH1 ARG 52 7.702 -8.696 -13.803 422 2HH1 ARG 52 2HH1 ARG 52 8.957 -8.880 -14.983 423 1HH2 ARG 52 1HH2 ARG 52 8.799 -5.572 -16.099 424 2HH2 ARG 52 2HH2 ARG 52 9.580 -7.106 -16.286 425 H GLU 53 HN GLU 53 4.448 -5.070 -8.701 426 HA GLU 53 HA GLU 53 2.566 -3.596 -10.199 427 1HB GLU 53 HB2 GLU 53 2.646 -4.991 -7.665 428 2HB GLU 53 HB1 GLU 53 1.754 -3.483 -7.517 429 1HG GLU 53 HG2 GLU 53 1.198 -5.438 -9.720 430 2HG GLU 53 HG1 GLU 53 0.447 -5.578 -8.131 431 H LEU 54 HN LEU 54 5.075 -2.636 -8.025 432 HA LEU 54 HA LEU 54 4.123 -0.226 -7.038 433 1HB LEU 54 HB2 LEU 54 6.483 -1.550 -6.890 434 2HB LEU 54 HB1 LEU 54 6.931 -0.222 -7.941 435 HG LEU 54 HG LEU 54 6.190 1.382 -6.257 436 1HD1 LEU 54 1HD1 LEU 54 4.735 -0.761 -5.238 437 2HD1 LEU 54 2HD1 LEU 54 4.884 0.852 -4.541 438 3HD1 LEU 54 3HD1 LEU 54 5.976 -0.435 -4.028 439 1HD2 LEU 54 1HD2 LEU 54 8.169 1.311 -5.228 440 2HD2 LEU 54 2HD2 LEU 54 8.469 -0.102 -6.239 441 3HD2 LEU 54 3HD2 LEU 54 7.888 -0.308 -4.587 442 H GLN 55 HN GLN 55 5.723 -0.897 -10.129 443 HA GLN 55 HA GLN 55 5.715 1.789 -11.033 444 1HB GLN 55 HB2 GLN 55 6.476 -0.794 -12.062 445 2HB GLN 55 HB1 GLN 55 5.547 0.071 -13.280 446 1HG GLN 55 HG2 GLN 55 7.736 1.510 -11.875 447 2HG GLN 55 HG1 GLN 55 8.154 0.319 -13.107 448 1HE2 GLN 55 1HE2 GLN 55 8.494 3.229 -13.079 449 2HE2 GLN 55 2HE2 GLN 55 7.675 3.813 -14.484 450 H GLU 56 HN GLU 56 3.383 -0.763 -10.954 451 HA GLU 56 HA GLU 56 1.560 0.403 -12.831 452 1HB GLU 56 HB2 GLU 56 1.842 -2.087 -11.917 453 2HB GLU 56 HB1 GLU 56 0.622 -1.537 -10.784 454 1HG GLU 56 HG2 GLU 56 0.111 -0.953 -13.627 455 2HG GLU 56 HG1 GLU 56 0.056 -2.650 -13.151 456 H GLU 57 HN GLU 57 2.173 0.707 -9.411 457 HA GLU 57 HA GLU 57 -0.345 2.196 -9.126 458 1HB GLU 57 HB2 GLU 57 1.405 1.205 -6.884 459 2HB GLU 57 HB1 GLU 57 -0.249 1.792 -6.776 460 1HG GLU 57 HG2 GLU 57 0.566 -0.690 -8.262 461 2HG GLU 57 HG1 GLU 57 -0.014 -0.672 -6.601 462 H VAL 58 HN VAL 58 2.770 2.843 -9.806 463 HA VAL 58 HA VAL 58 2.589 5.493 -8.565 464 HB VAL 58 HB VAL 58 5.295 4.235 -8.832 465 1HG1 VAL 58 1HG1 VAL 58 5.997 6.045 -7.716 466 2HG1 VAL 58 2HG1 VAL 58 4.676 5.959 -6.552 467 3HG1 VAL 58 3HG1 VAL 58 4.421 6.726 -8.119 468 1HG2 VAL 58 1HG2 VAL 58 5.208 2.995 -6.954 469 2HG2 VAL 58 2HG2 VAL 58 3.486 2.917 -7.318 470 3HG2 VAL 58 3HG2 VAL 58 4.087 4.092 -6.152 471 H GLY 59 HN GLY 59 4.141 3.413 -10.954 472 1HA GLY 59 HA2 GLY 59 4.656 3.775 -13.143 473 2HA GLY 59 HA1 GLY 59 3.671 5.213 -13.077 474 H ILE 60 HN ILE 60 5.257 6.440 -11.003 475 HA ILE 60 HA ILE 60 7.255 7.637 -12.644 476 HB ILE 60 HB ILE 60 7.768 8.705 -10.251 477 1HG1 ILE 60 2HG1 ILE 60 4.831 8.369 -9.957 478 2HG1 ILE 60 1HG1 ILE 60 5.895 7.089 -9.381 479 1HG2 ILE 60 1HG2 ILE 60 6.749 10.582 -11.036 480 2HG2 ILE 60 2HG2 ILE 60 5.299 9.710 -11.536 481 3HG2 ILE 60 3HG2 ILE 60 6.764 9.619 -12.514 482 1HD1 ILE 60 1HD1 ILE 60 7.084 8.751 -8.000 483 2HD1 ILE 60 2HD1 ILE 60 5.384 8.567 -7.569 484 3HD1 ILE 60 3HD1 ILE 60 5.911 9.963 -8.510 485 H THR 61 HN THR 61 9.373 8.200 -11.187 486 HA THR 61 HA THR 61 10.547 5.595 -10.517 487 HB THR 61 HB THR 61 12.656 7.162 -10.998 488 HG1 THR 61 HG1 THR 61 12.081 8.950 -11.881 489 1HG2 THR 61 1HG2 THR 61 12.136 5.069 -12.197 490 2HG2 THR 61 2HG2 THR 61 12.760 6.334 -13.257 491 3HG2 THR 61 3HG2 THR 61 11.030 5.979 -13.230 492 HA PRO 62 HA PRO 62 11.039 7.977 -6.653 493 1HB PRO 62 HB2 PRO 62 9.372 6.684 -5.116 494 2HB PRO 62 HB1 PRO 62 8.719 7.550 -6.513 495 1HG PRO 62 HG2 PRO 62 9.172 4.623 -6.152 496 2HG PRO 62 HG1 PRO 62 7.858 5.460 -6.998 497 1HD PRO 62 HD2 PRO 62 10.280 4.420 -8.125 498 2HD PRO 62 HD1 PRO 62 9.002 5.337 -8.940 499 H GLN 63 HN GLN 63 12.442 7.618 -4.938 500 HA GLN 63 HA GLN 63 13.832 5.089 -4.829 501 1HB GLN 63 HB2 GLN 63 13.957 7.456 -2.932 502 2HB GLN 63 HB1 GLN 63 15.068 6.095 -2.946 503 1HG GLN 63 HG2 GLN 63 15.939 6.737 -5.073 504 2HG GLN 63 HG1 GLN 63 14.700 7.978 -5.261 505 1HE2 GLN 63 1HE2 GLN 63 15.952 9.754 -5.371 506 2HE2 GLN 63 2HE2 GLN 63 17.000 10.292 -4.109 507 H HIS 64 HN HIS 64 11.960 3.853 -4.544 508 HA HIS 64 HA HIS 64 10.787 3.936 -1.848 509 1HB HIS 64 HB2 HIS 64 9.105 4.563 -3.382 510 2HB HIS 64 HB1 HIS 64 9.669 3.434 -4.566 511 HD1 HIS 64 HD1 HIS 64 6.704 3.800 -3.339 512 HD2 HIS 64 HD2 HIS 64 9.359 0.683 -2.629 513 HE1 HIS 64 HE1 HIS 64 5.284 1.841 -2.661 514 HE2 HIS 64 HE2 HIS 64 6.920 -0.003 -2.153 515 H PHE 65 HN PHE 65 10.738 2.103 -0.673 516 HA PHE 65 HA PHE 65 10.809 -0.514 -1.632 517 1HB PHE 65 HB2 PHE 65 13.192 0.606 -2.145 518 2HB PHE 65 HB1 PHE 65 13.474 0.109 -0.488 519 HD1 PHE 65 HD1 PHE 65 14.753 -1.807 -0.422 520 HD2 PHE 65 HD2 PHE 65 11.718 -1.449 -3.382 521 HE1 PHE 65 HE1 PHE 65 15.261 -4.082 -1.213 522 HE2 PHE 65 HE2 PHE 65 12.219 -3.721 -4.175 523 HZ PHE 65 HZ PHE 65 13.990 -5.041 -3.094 524 H SER 66 HN SER 66 12.724 -1.327 0.544 525 HA SER 66 HA SER 66 12.677 -2.006 2.687 526 1HB SER 66 HB2 SER 66 12.829 0.640 2.782 527 2HB SER 66 HB1 SER 66 11.250 0.460 3.543 528 HG SER 66 HG SER 66 12.161 -0.741 5.153 529 H LEU 67 HN LEU 67 11.386 -2.710 4.456 530 HA LEU 67 HA LEU 67 8.528 -2.949 3.809 531 1HB LEU 67 HB2 LEU 67 9.587 -5.078 3.429 532 2HB LEU 67 HB1 LEU 67 10.396 -5.004 4.982 533 HG LEU 67 HG LEU 67 7.453 -4.887 5.107 534 1HD1 LEU 67 1HD1 LEU 67 8.918 -7.206 3.922 535 2HD1 LEU 67 2HD1 LEU 67 7.367 -6.503 3.463 536 3HD1 LEU 67 3HD1 LEU 67 7.493 -7.478 4.926 537 1HD2 LEU 67 1HD2 LEU 67 7.815 -5.672 7.169 538 2HD2 LEU 67 2HD2 LEU 67 9.512 -5.294 6.870 539 3HD2 LEU 67 3HD2 LEU 67 8.912 -6.929 6.598 540 H PHE 68 HN PHE 68 7.485 -1.668 5.209 541 HA PHE 68 HA PHE 68 8.544 -1.077 7.804 542 1HB PHE 68 HB2 PHE 68 7.320 0.752 7.407 543 2HB PHE 68 HB1 PHE 68 6.486 -0.033 6.073 544 HD1 PHE 68 HD1 PHE 68 6.210 1.225 9.402 545 HD2 PHE 68 HD2 PHE 68 4.481 -1.480 6.617 546 HE1 PHE 68 HE1 PHE 68 4.130 1.211 10.712 547 HE2 PHE 68 HE2 PHE 68 2.392 -1.496 7.916 548 HZ PHE 68 HZ PHE 68 2.211 -0.145 9.969 549 H GLU 69 HN GLU 69 5.882 -3.029 6.544 550 HA GLU 69 HA GLU 69 5.996 -4.857 8.699 551 1HB GLU 69 HB2 GLU 69 4.776 -2.711 9.605 552 2HB GLU 69 HB1 GLU 69 3.406 -3.358 8.713 553 1HG GLU 69 HG2 GLU 69 3.141 -5.125 10.118 554 2HG GLU 69 HG1 GLU 69 4.853 -5.192 10.536 555 H LYS 70 HN LYS 70 4.351 -6.556 8.514 556 HA LYS 70 HA LYS 70 2.853 -6.569 6.006 557 1HB LYS 70 HB2 LYS 70 3.734 -8.739 5.336 558 2HB LYS 70 HB1 LYS 70 5.042 -7.573 5.477 559 1HG LYS 70 HG2 LYS 70 6.065 -9.191 6.631 560 2HG LYS 70 HG1 LYS 70 5.040 -8.657 7.964 561 1HD LYS 70 HD2 LYS 70 4.892 -11.056 7.758 562 2HD LYS 70 HD1 LYS 70 3.352 -10.336 7.285 563 1HE LYS 70 HE2 LYS 70 5.252 -10.688 5.082 564 2HE LYS 70 HE1 LYS 70 4.731 -12.193 5.837 565 1HZ LYS 70 HZ1 LYS 70 3.372 -10.841 3.927 566 2HZ LYS 70 HZ2 LYS 70 2.573 -10.362 5.339 567 3HZ LYS 70 HZ3 LYS 70 2.706 -12.005 4.959 568 H LEU 71 HN LEU 71 0.900 -7.509 6.234 569 HA LEU 71 HA LEU 71 0.453 -9.177 8.619 570 1HB LEU 71 HB2 LEU 71 -0.600 -7.084 9.021 571 2HB LEU 71 HB1 LEU 71 -1.292 -7.041 7.411 572 HG LEU 71 HG LEU 71 -2.498 -9.250 8.272 573 1HD1 LEU 71 1HD1 LEU 71 -3.183 -8.573 10.717 574 2HD1 LEU 71 2HD1 LEU 71 -1.580 -7.838 10.724 575 3HD1 LEU 71 3HD1 LEU 71 -1.758 -9.565 10.412 576 1HD2 LEU 71 1HD2 LEU 71 -4.385 -8.001 8.289 577 2HD2 LEU 71 2HD2 LEU 71 -3.293 -6.774 7.646 578 3HD2 LEU 71 3HD2 LEU 71 -3.700 -6.781 9.362 579 H GLU 72 HN GLU 72 -0.644 -11.049 8.354 580 HA GLU 72 HA GLU 72 -1.748 -11.614 5.689 581 1HB GLU 72 HB2 GLU 72 0.222 -12.868 5.678 582 2HB GLU 72 HB1 GLU 72 0.110 -13.243 7.391 583 1HG GLU 72 HG2 GLU 72 -1.503 -14.891 7.045 584 2HG GLU 72 HG1 GLU 72 -1.870 -14.316 5.420 585 H TYR 73 HN TYR 73 -3.880 -11.733 5.937 586 HA TYR 73 HA TYR 73 -4.939 -13.334 8.169 587 1HB TYR 73 HB2 TYR 73 -5.235 -10.729 8.265 588 2HB TYR 73 HB1 TYR 73 -6.494 -11.019 7.070 589 HD1 TYR 73 HD1 TYR 73 -8.588 -10.924 8.022 590 HD2 TYR 73 HD2 TYR 73 -5.436 -12.763 10.209 591 HE1 TYR 73 HE1 TYR 73 -10.169 -11.481 9.819 592 HE2 TYR 73 HE2 TYR 73 -7.009 -13.325 12.013 593 HH TYR 73 HH TYR 73 -10.307 -13.241 11.670 594 H GLU 74 HN GLU 74 -6.924 -14.445 7.733 595 HA GLU 74 HA GLU 74 -7.486 -14.720 4.856 596 1HB GLU 74 HB2 GLU 74 -8.192 -17.118 5.522 597 2HB GLU 74 HB1 GLU 74 -6.481 -16.754 5.346 598 1HG GLU 74 HG2 GLU 74 -6.564 -16.308 7.890 599 2HG GLU 74 HG1 GLU 74 -8.068 -17.222 7.833 600 H PHE 75 HN PHE 75 -9.505 -14.559 4.204 601 HA PHE 75 HA PHE 75 -11.579 -14.065 6.203 602 1HB PHE 75 HB2 PHE 75 -10.974 -13.015 3.573 603 2HB PHE 75 HB1 PHE 75 -12.629 -13.607 3.638 604 HD1 PHE 75 HD1 PHE 75 -10.401 -11.794 6.023 605 HD2 PHE 75 HD2 PHE 75 -14.128 -11.911 3.971 606 HE1 PHE 75 HE1 PHE 75 -11.088 -9.723 7.160 607 HE2 PHE 75 HE2 PHE 75 -14.821 -9.840 5.104 608 HZ PHE 75 HZ PHE 75 -13.300 -8.743 6.700 609 HA PRO 76 HA PRO 76 -13.995 -17.710 5.732 610 1HB PRO 76 HB2 PRO 76 -16.294 -16.659 4.451 611 2HB PRO 76 HB1 PRO 76 -16.059 -16.912 6.182 612 1HG PRO 76 HG2 PRO 76 -15.759 -14.435 4.573 613 2HG PRO 76 HG1 PRO 76 -16.256 -14.630 6.264 614 1HD PRO 76 HD2 PRO 76 -13.823 -13.716 5.618 615 2HD PRO 76 HD1 PRO 76 -14.063 -14.780 7.018 616 H ASP 77 HN ASP 77 -12.412 -18.368 4.115 617 HA ASP 77 HA ASP 77 -12.131 -19.680 2.244 618 1HB ASP 77 HB2 ASP 77 -14.823 -19.392 2.140 619 2HB ASP 77 HB1 ASP 77 -14.357 -18.541 0.670 620 H ARG 78 HN ARG 78 -11.637 -16.603 2.670 621 HA ARG 78 HA ARG 78 -10.449 -16.247 0.017 622 1HB ARG 78 HB2 ARG 78 -12.650 -14.952 0.329 623 2HB ARG 78 HB1 ARG 78 -11.743 -13.937 1.443 624 1HG ARG 78 HG2 ARG 78 -10.563 -12.939 -0.207 625 2HG ARG 78 HG1 ARG 78 -10.537 -14.386 -1.217 626 1HD ARG 78 HD2 ARG 78 -12.235 -13.610 -2.417 627 2HD ARG 78 HD1 ARG 78 -13.232 -13.483 -0.969 628 HE ARG 78 HE ARG 78 -11.701 -11.263 -0.845 629 1HH1 ARG 78 1HH1 ARG 78 -13.695 -12.632 -3.362 630 2HH1 ARG 78 2HH1 ARG 78 -14.086 -11.097 -4.060 631 1HH2 ARG 78 1HH2 ARG 78 -12.214 -9.243 -1.763 632 2HH2 ARG 78 2HH2 ARG 78 -13.245 -9.173 -3.153 633 H HIS 79 HN HIS 79 -8.369 -16.573 0.699 634 HA HIS 79 HA HIS 79 -7.328 -15.392 3.086 635 1HB HIS 79 HB2 HIS 79 -6.560 -17.507 1.608 636 2HB HIS 79 HB1 HIS 79 -5.455 -16.294 0.971 637 HD1 HIS 79 HD1 HIS 79 -5.227 -14.847 3.868 638 HD2 HIS 79 HD2 HIS 79 -4.492 -18.833 2.950 639 HE1 HIS 79 HE1 HIS 79 -3.679 -15.676 5.667 640 HE2 HIS 79 HE2 HIS 79 -3.318 -18.114 5.141 641 H ILE 80 HN ILE 80 -7.155 -13.226 3.197 642 HA ILE 80 HA ILE 80 -6.200 -11.763 0.851 643 HB ILE 80 HB ILE 80 -8.238 -10.860 1.697 644 1HG1 ILE 80 2HG1 ILE 80 -6.440 -8.919 3.005 645 2HG1 ILE 80 1HG1 ILE 80 -6.007 -9.370 1.361 646 1HG2 ILE 80 1HG2 ILE 80 -7.841 -9.911 4.239 647 2HG2 ILE 80 2HG2 ILE 80 -7.048 -11.485 4.283 648 3HG2 ILE 80 3HG2 ILE 80 -8.743 -11.364 3.813 649 1HD1 ILE 80 1HD1 ILE 80 -8.414 -7.930 2.359 650 2HD1 ILE 80 2HD1 ILE 80 -8.507 -8.853 0.859 651 3HD1 ILE 80 3HD1 ILE 80 -7.343 -7.536 1.014 652 H THR 81 HN THR 81 -4.099 -11.325 0.783 653 HA THR 81 HA THR 81 -2.596 -11.115 3.299 654 HB THR 81 HB THR 81 -1.086 -11.136 0.771 655 HG1 THR 81 HG1 THR 81 -1.470 -13.398 0.490 656 1HG2 THR 81 1HG2 THR 81 -0.909 -12.980 3.136 657 2HG2 THR 81 2HG2 THR 81 -0.076 -11.430 3.025 658 3HG2 THR 81 3HG2 THR 81 0.299 -12.717 1.877 659 H LEU 82 HN LEU 82 -1.674 -9.238 3.917 660 HA LEU 82 HA LEU 82 -1.652 -7.020 1.978 661 1HB LEU 82 HB2 LEU 82 -3.216 -7.216 4.294 662 2HB LEU 82 HB1 LEU 82 -1.911 -6.130 4.724 663 HG LEU 82 HG LEU 82 -3.421 -4.608 3.962 664 1HD1 LEU 82 1HD1 LEU 82 -1.358 -4.658 2.453 665 2HD1 LEU 82 2HD1 LEU 82 -2.767 -3.755 1.897 666 3HD1 LEU 82 3HD1 LEU 82 -2.429 -5.354 1.237 667 1HD2 LEU 82 1HD2 LEU 82 -4.471 -6.003 1.606 668 2HD2 LEU 82 2HD2 LEU 82 -5.310 -5.090 2.861 669 3HD2 LEU 82 3HD2 LEU 82 -4.842 -6.766 3.152 670 H TRP 83 HN TRP 83 0.388 -6.452 1.570 671 HA TRP 83 HA TRP 83 2.382 -6.712 3.720 672 1HB TRP 83 HB2 TRP 83 3.146 -6.210 0.866 673 2HB TRP 83 HB1 TRP 83 4.053 -7.024 2.129 674 HD1 TRP 83 HD1 TRP 83 1.031 -8.856 2.438 675 HE1 TRP 83 HE1 TRP 83 0.952 -10.924 0.925 676 HE3 TRP 83 HE3 TRP 83 4.810 -7.646 -0.785 677 HZ2 TRP 83 HZ2 TRP 83 2.308 -11.923 -1.334 678 HZ3 TRP 83 HZ3 TRP 83 5.358 -9.219 -2.594 679 HH2 TRP 83 HH2 TRP 83 4.131 -11.313 -2.862 680 H PHE 84 HN PHE 84 3.116 -4.881 4.651 681 HA PHE 84 HA PHE 84 2.605 -2.351 3.248 682 1HB PHE 84 HB2 PHE 84 2.908 -2.960 6.190 683 2HB PHE 84 HB1 PHE 84 2.928 -1.320 5.554 684 HD1 PHE 84 HD1 PHE 84 0.796 -4.218 4.593 685 HD2 PHE 84 HD2 PHE 84 0.967 -0.331 6.333 686 HE1 PHE 84 HE1 PHE 84 -1.653 -4.152 4.678 687 HE2 PHE 84 HE2 PHE 84 -1.488 -0.266 6.416 688 HZ PHE 84 HZ PHE 84 -2.803 -2.179 5.588 689 H TRP 85 HN TRP 85 4.317 -1.645 2.169 690 HA TRP 85 HA TRP 85 7.011 -2.176 3.171 691 1HB TRP 85 HB2 TRP 85 6.006 -1.222 0.490 692 2HB TRP 85 HB1 TRP 85 7.715 -1.352 0.897 693 HD1 TRP 85 HD1 TRP 85 4.718 -3.809 1.282 694 HE1 TRP 85 HE1 TRP 85 5.462 -6.100 0.376 695 HE3 TRP 85 HE3 TRP 85 9.470 -2.608 -0.168 696 HZ2 TRP 85 HZ2 TRP 85 7.758 -7.247 -0.797 697 HZ3 TRP 85 HZ3 TRP 85 10.876 -4.358 -1.173 698 HH2 TRP 85 HH2 TRP 85 10.036 -6.630 -1.480 699 H LEU 86 HN LEU 86 8.598 -0.525 3.420 700 HA LEU 86 HA LEU 86 7.391 2.075 4.043 701 1HB LEU 86 HB2 LEU 86 8.544 1.066 5.875 702 2HB LEU 86 HB1 LEU 86 9.979 0.807 4.906 703 HG LEU 86 HG LEU 86 9.880 3.461 4.712 704 1HD1 LEU 86 1HD1 LEU 86 7.727 3.354 6.132 705 2HD1 LEU 86 2HD1 LEU 86 8.946 4.567 6.522 706 3HD1 LEU 86 3HD1 LEU 86 8.825 3.097 7.488 707 1HD2 LEU 86 1HD2 LEU 86 11.561 3.561 6.357 708 2HD2 LEU 86 2HD2 LEU 86 11.665 1.937 5.678 709 3HD2 LEU 86 3HD2 LEU 86 10.890 2.191 7.242 710 H VAL 87 HN VAL 87 7.393 3.325 2.314 711 HA VAL 87 HA VAL 87 9.580 3.442 0.418 712 HB VAL 87 HB VAL 87 7.233 5.283 0.568 713 1HG1 VAL 87 1HG1 VAL 87 8.401 6.205 -1.101 714 2HG1 VAL 87 2HG1 VAL 87 7.763 4.869 -2.055 715 3HG1 VAL 87 3HG1 VAL 87 9.372 4.759 -1.348 716 1HG2 VAL 87 1HG2 VAL 87 7.429 2.508 -0.582 717 2HG2 VAL 87 2HG2 VAL 87 6.186 3.663 -1.083 718 3HG2 VAL 87 3HG2 VAL 87 6.261 3.119 0.592 719 H GLU 88 HN GLU 88 10.937 5.229 0.056 720 HA GLU 88 HA GLU 88 10.914 7.089 2.332 721 1HB GLU 88 HB2 GLU 88 13.380 7.375 1.861 722 2HB GLU 88 HB1 GLU 88 12.882 5.805 2.477 723 1HG GLU 88 HG2 GLU 88 12.902 4.946 0.153 724 2HG GLU 88 HG1 GLU 88 13.539 6.502 -0.375 725 H ARG 89 HN ARG 89 10.967 7.040 -1.196 726 HA ARG 89 HA ARG 89 10.429 9.857 -1.193 727 1HB ARG 89 HB2 ARG 89 12.673 10.322 -1.065 728 2HB ARG 89 HB1 ARG 89 13.141 8.838 -1.877 729 1HG ARG 89 HG2 ARG 89 12.724 9.739 -4.003 730 2HG ARG 89 HG1 ARG 89 11.798 11.085 -3.340 731 1HD ARG 89 HD2 ARG 89 14.269 11.427 -4.150 732 2HD ARG 89 HD1 ARG 89 13.667 12.248 -2.711 733 HE ARG 89 HE ARG 89 14.911 9.705 -2.184 734 1HH1 ARG 89 1HH1 ARG 89 15.431 13.134 -2.574 735 2HH1 ARG 89 2HH1 ARG 89 16.893 13.145 -1.647 736 1HH2 ARG 89 1HH2 ARG 89 16.836 9.717 -0.964 737 2HH2 ARG 89 2HH2 ARG 89 17.691 11.205 -0.734 738 H TRP 90 HN TRP 90 9.979 10.715 -3.351 739 HA TRP 90 HA TRP 90 9.803 8.828 -5.508 740 1HB TRP 90 HB2 TRP 90 7.506 8.646 -5.723 741 2HB TRP 90 HB1 TRP 90 7.703 8.619 -3.980 742 HD1 TRP 90 HD1 TRP 90 6.910 11.258 -6.724 743 HE1 TRP 90 HE1 TRP 90 5.161 12.879 -5.758 744 HE3 TRP 90 HE3 TRP 90 6.565 9.351 -1.993 745 HZ2 TRP 90 HZ2 TRP 90 3.804 13.284 -3.321 746 HZ3 TRP 90 HZ3 TRP 90 5.007 10.411 -0.410 747 HH2 TRP 90 HH2 TRP 90 3.659 12.337 -1.060 748 H GLU 91 HN GLU 91 10.256 9.787 -7.368 749 HA GLU 91 HA GLU 91 10.610 12.625 -7.453 750 1HB GLU 91 HB2 GLU 91 11.018 10.363 -9.362 751 2HB GLU 91 HB1 GLU 91 10.981 12.004 -9.993 752 1HG GLU 91 HG2 GLU 91 12.818 12.637 -8.562 753 2HG GLU 91 HG1 GLU 91 12.818 11.041 -7.813 754 H GLY 92 HN GLY 92 9.504 14.156 -8.671 755 1HA GLY 92 HA2 GLY 92 7.644 15.170 -9.553 756 2HA GLY 92 HA1 GLY 92 7.429 13.686 -10.469 757 H GLU 93 HN GLU 93 5.516 12.773 -10.201 758 HA GLU 93 HA GLU 93 4.287 12.823 -7.539 759 1HB GLU 93 HB2 GLU 93 3.311 14.593 -9.066 760 2HB GLU 93 HB1 GLU 93 2.712 13.280 -10.072 761 1HG GLU 93 HG2 GLU 93 1.173 12.596 -8.498 762 2HG GLU 93 HG1 GLU 93 2.054 13.338 -7.163 763 HA PRO 94 HA PRO 94 3.629 8.524 -8.419 764 1HB PRO 94 HB2 PRO 94 1.531 8.407 -6.426 765 2HB PRO 94 HB1 PRO 94 3.185 7.805 -6.314 766 1HG PRO 94 HG2 PRO 94 2.249 9.906 -4.850 767 2HG PRO 94 HG1 PRO 94 3.950 9.714 -5.312 768 1HD PRO 94 HD2 PRO 94 1.825 11.424 -6.557 769 2HD PRO 94 HD1 PRO 94 3.528 11.807 -6.223 770 H TRP 95 HN TRP 95 2.448 7.586 -10.005 771 HA TRP 95 HA TRP 95 -0.369 8.374 -10.202 772 1HB TRP 95 HB2 TRP 95 -0.105 8.183 -12.726 773 2HB TRP 95 HB1 TRP 95 0.578 9.605 -11.957 774 HD1 TRP 95 HD1 TRP 95 3.259 9.777 -11.892 775 HE1 TRP 95 HE1 TRP 95 5.068 8.754 -13.420 776 HE3 TRP 95 HE3 TRP 95 0.517 6.002 -13.943 777 HZ2 TRP 95 HZ2 TRP 95 5.279 6.633 -15.268 778 HZ3 TRP 95 HZ3 TRP 95 1.586 4.522 -15.592 779 HH2 TRP 95 HH2 TRP 95 3.924 4.824 -16.230 780 H GLY 96 HN GLY 96 1.853 6.100 -11.791 781 1HA GLY 96 HA2 GLY 96 1.548 3.891 -12.385 782 2HA GLY 96 HA1 GLY 96 0.852 3.739 -10.782 783 H LYS 97 HN LYS 97 -1.237 3.234 -10.609 784 HA LYS 97 HA LYS 97 -3.410 4.046 -12.007 785 1HB LYS 97 HB2 LYS 97 -2.508 3.253 -14.094 786 2HB LYS 97 HB1 LYS 97 -2.139 1.682 -13.399 787 1HG LYS 97 HG2 LYS 97 -4.146 0.914 -13.932 788 2HG LYS 97 HG1 LYS 97 -4.935 2.257 -13.104 789 1HD LYS 97 HD2 LYS 97 -3.705 2.808 -15.749 790 2HD LYS 97 HD1 LYS 97 -5.185 1.847 -15.723 791 1HE LYS 97 HE2 LYS 97 -6.351 3.593 -14.536 792 2HE LYS 97 HE1 LYS 97 -4.866 4.532 -14.389 793 1HZ LYS 97 HZ1 LYS 97 -6.653 4.923 -16.307 794 2HZ LYS 97 HZ2 LYS 97 -5.656 3.803 -17.090 795 3HZ LYS 97 HZ3 LYS 97 -5.004 5.250 -16.504 796 H GLU 98 HN GLU 98 -3.549 3.578 -9.586 797 HA GLU 98 HA GLU 98 -4.114 0.811 -8.905 798 1HB GLU 98 HB2 GLU 98 -4.664 1.866 -6.637 799 2HB GLU 98 HB1 GLU 98 -2.996 1.946 -7.184 800 1HG GLU 98 HG2 GLU 98 -3.080 4.208 -7.560 801 2HG GLU 98 HG1 GLU 98 -4.829 4.217 -7.773 802 H GLY 99 HN GLY 99 -5.876 3.832 -9.405 803 1HA GLY 99 HA2 GLY 99 -8.110 3.492 -10.435 804 2HA GLY 99 HA1 GLY 99 -8.382 2.275 -9.201 805 H GLN 100 HN GLN 100 -6.773 4.537 -7.536 806 HA GLN 100 HA GLN 100 -9.078 6.294 -7.105 807 1HB GLN 100 HB2 GLN 100 -7.935 4.362 -5.155 808 2HB GLN 100 HB1 GLN 100 -8.408 5.941 -4.544 809 1HG GLN 100 HG2 GLN 100 -10.505 5.264 -4.437 810 2HG GLN 100 HG1 GLN 100 -10.512 5.020 -6.182 811 1HE2 GLN 100 1HE2 GLN 100 -12.044 3.479 -4.484 812 2HE2 GLN 100 2HE2 GLN 100 -11.442 1.860 -4.484 813 HA PRO 101 HA PRO 101 -5.485 9.051 -7.649 814 1HB PRO 101 HB2 PRO 101 -7.850 10.777 -7.001 815 2HB PRO 101 HB1 PRO 101 -6.553 11.060 -8.170 816 1HG PRO 101 HG2 PRO 101 -8.901 10.197 -9.007 817 2HG PRO 101 HG1 PRO 101 -7.416 9.497 -9.678 818 1HD PRO 101 HD2 PRO 101 -9.339 8.341 -7.722 819 2HD PRO 101 HD1 PRO 101 -8.357 7.529 -8.957 820 H GLY 102 HN GLY 102 -4.211 10.117 -6.164 821 1HA GLY 102 HA2 GLY 102 -5.303 10.457 -3.447 822 2HA GLY 102 HA1 GLY 102 -3.776 9.626 -3.687 823 H GLU 103 HN GLU 103 -3.567 11.597 -2.033 824 HA GLU 103 HA GLU 103 -2.143 13.668 -3.531 825 1HB GLU 103 HB2 GLU 103 -4.600 14.246 -2.572 826 2HB GLU 103 HB1 GLU 103 -3.633 14.616 -1.151 827 1HG GLU 103 HG2 GLU 103 -3.864 16.629 -2.346 828 2HG GLU 103 HG1 GLU 103 -2.214 16.072 -2.627 829 H TRP 104 HN TRP 104 -0.535 14.807 -2.212 830 HA TRP 104 HA TRP 104 0.824 13.008 -0.465 831 1HB TRP 104 HB2 TRP 104 1.587 15.889 -0.450 832 2HB TRP 104 HB1 TRP 104 2.609 14.461 -0.564 833 HD1 TRP 104 HD1 TRP 104 1.209 13.231 -3.213 834 HE1 TRP 104 HE1 TRP 104 1.687 14.354 -5.480 835 HE3 TRP 104 HE3 TRP 104 2.714 17.824 -1.544 836 HZ2 TRP 104 HZ2 TRP 104 2.581 16.855 -6.434 837 HZ3 TRP 104 HZ3 TRP 104 3.364 19.525 -3.199 838 HH2 TRP 104 HH2 TRP 104 3.299 19.048 -5.593 839 H MET 105 HN MET 105 -0.005 12.555 1.472 840 HA MET 105 HA MET 105 -0.861 14.801 3.176 841 1HB MET 105 HB2 MET 105 -1.865 11.990 3.523 842 2HB MET 105 HB1 MET 105 -2.535 13.479 4.170 843 1HG MET 105 HG2 MET 105 -3.578 14.033 2.216 844 2HG MET 105 HG1 MET 105 -2.434 13.138 1.221 845 1HE MET 105 HE1 MET 105 -5.972 13.265 2.184 846 2HE MET 105 HE2 MET 105 -6.408 11.806 1.295 847 3HE MET 105 HE3 MET 105 -5.413 13.042 0.526 848 H SER 106 HN SER 106 -0.645 14.367 5.526 849 HA SER 106 HA SER 106 1.977 13.218 6.044 850 1HB SER 106 HB2 SER 106 1.800 14.308 8.232 851 2HB SER 106 HB1 SER 106 1.436 15.452 6.941 852 HG SER 106 HG SER 106 -0.180 14.471 8.938 853 H LEU 107 HN LEU 107 2.314 11.306 6.976 854 HA LEU 107 HA LEU 107 0.080 9.630 7.661 855 1HB LEU 107 HB2 LEU 107 2.589 9.153 6.704 856 2HB LEU 107 HB1 LEU 107 2.774 8.703 8.387 857 HG LEU 107 HG LEU 107 1.015 7.059 8.202 858 1HD1 LEU 107 1HD1 LEU 107 0.343 6.749 5.593 859 2HD1 LEU 107 2HD1 LEU 107 0.438 8.505 5.715 860 3HD1 LEU 107 3HD1 LEU 107 -0.636 7.604 6.784 861 1HD2 LEU 107 1HD2 LEU 107 3.045 6.934 5.980 862 2HD2 LEU 107 2HD2 LEU 107 2.024 5.578 6.455 863 3HD2 LEU 107 3HD2 LEU 107 3.179 6.256 7.603 864 H VAL 108 HN VAL 108 2.153 11.754 9.363 865 HA VAL 108 HA VAL 108 2.422 10.667 11.865 866 HB VAL 108 HB VAL 108 1.673 13.549 11.373 867 1HG1 VAL 108 1HG1 VAL 108 3.483 12.400 13.484 868 2HG1 VAL 108 2HG1 VAL 108 1.760 12.676 13.737 869 3HG1 VAL 108 3HG1 VAL 108 2.828 14.034 13.384 870 1HG2 VAL 108 1HG2 VAL 108 3.446 13.489 9.970 871 2HG2 VAL 108 2HG2 VAL 108 4.115 12.031 10.703 872 3HG2 VAL 108 3HG2 VAL 108 4.356 13.596 11.477 873 H GLY 109 HN GLY 109 -0.491 11.745 10.320 874 1HA GLY 109 HA2 GLY 109 -1.952 11.267 12.842 875 2HA GLY 109 HA1 GLY 109 -2.452 12.463 11.658 876 H LEU 110 HN LEU 110 -1.326 9.157 11.038 877 HA LEU 110 HA LEU 110 -3.419 8.599 9.233 878 1HB LEU 110 HB2 LEU 110 -1.097 7.451 9.583 879 2HB LEU 110 HB1 LEU 110 -1.968 6.439 10.720 880 HG LEU 110 HG LEU 110 -2.787 6.764 7.837 881 1HD1 LEU 110 1HD1 LEU 110 -1.793 4.458 7.596 882 2HD1 LEU 110 2HD1 LEU 110 -0.973 4.745 9.130 883 3HD1 LEU 110 3HD1 LEU 110 -0.638 5.783 7.745 884 1HD2 LEU 110 1HD2 LEU 110 -4.644 5.874 8.765 885 2HD2 LEU 110 2HD2 LEU 110 -3.776 5.241 10.164 886 3HD2 LEU 110 3HD2 LEU 110 -3.723 4.377 8.628 887 H ASN 111 HN ASN 111 -5.385 7.552 9.491 888 HA ASN 111 HA ASN 111 -6.142 6.952 12.264 889 1HB ASN 111 HB2 ASN 111 -7.250 8.847 10.442 890 2HB ASN 111 HB1 ASN 111 -8.460 7.622 10.795 891 1HD2 ASN 111 1HD2 ASN 111 -9.253 7.415 12.875 892 2HD2 ASN 111 2HD2 ASN 111 -8.997 8.618 14.088 893 H ALA 112 HN ALA 112 -7.128 5.123 12.724 894 HA ALA 112 HA ALA 112 -7.281 3.064 10.754 895 1HB ALA 112 HB1 ALA 112 -7.726 1.602 12.495 896 2HB ALA 112 HB2 ALA 112 -8.568 2.829 13.446 897 3HB ALA 112 HB3 ALA 112 -6.810 2.875 13.307 898 H ASP 113 HN ASP 113 -9.379 5.542 11.772 899 HA ASP 113 HA ASP 113 -11.860 4.197 11.239 900 1HB ASP 113 HB2 ASP 113 -11.250 6.366 12.710 901 2HB ASP 113 HB1 ASP 113 -11.758 7.160 11.221 902 H ASP 114 HN ASP 114 -9.960 6.704 9.556 903 HA ASP 114 HA ASP 114 -11.706 6.898 7.340 904 1HB ASP 114 HB2 ASP 114 -9.121 7.603 6.453 905 2HB ASP 114 HB1 ASP 114 -10.423 8.677 6.930 906 H PHE 115 HN PHE 115 -8.899 4.896 7.995 907 HA PHE 115 HA PHE 115 -8.849 3.813 5.316 908 1HB PHE 115 HB2 PHE 115 -6.796 3.013 5.889 909 2HB PHE 115 HB1 PHE 115 -6.954 4.085 7.286 910 HD1 PHE 115 HD1 PHE 115 -5.818 1.028 6.493 911 HD2 PHE 115 HD2 PHE 115 -8.677 2.812 9.059 912 HE1 PHE 115 HE1 PHE 115 -5.668 -0.904 8.001 913 HE2 PHE 115 HE2 PHE 115 -8.535 0.890 10.588 914 HZ PHE 115 HZ PHE 115 -7.031 -0.974 10.052 915 HA PRO 116 HA PRO 116 -11.391 0.246 5.983 916 1HB PRO 116 HB2 PRO 116 -9.979 -1.862 5.048 917 2HB PRO 116 HB1 PRO 116 -10.636 -0.615 3.980 918 1HG PRO 116 HG2 PRO 116 -7.850 -0.940 5.024 919 2HG PRO 116 HG1 PRO 116 -8.391 -0.505 3.392 920 1HD PRO 116 HD2 PRO 116 -7.514 1.324 5.204 921 2HD PRO 116 HD1 PRO 116 -8.711 1.701 3.951 922 HA PRO 117 HA PRO 117 -10.175 -1.135 10.084 923 1HB PRO 117 HB2 PRO 117 -12.302 -2.854 10.437 924 2HB PRO 117 HB1 PRO 117 -12.349 -1.117 10.749 925 1HG PRO 117 HG2 PRO 117 -13.277 -2.636 8.347 926 2HG PRO 117 HG1 PRO 117 -14.047 -1.270 9.178 927 1HD PRO 117 HD2 PRO 117 -12.699 -0.931 6.888 928 2HD PRO 117 HD1 PRO 117 -12.646 0.288 8.180 929 H ALA 118 HN ALA 118 -10.528 -3.112 7.291 930 HA ALA 118 HA ALA 118 -9.991 -5.637 8.432 931 1HB ALA 118 HB1 ALA 118 -9.192 -4.930 5.640 932 2HB ALA 118 HB2 ALA 118 -10.893 -5.036 6.092 933 3HB ALA 118 HB3 ALA 118 -9.844 -6.444 6.268 934 H ASN 119 HN ASN 119 -7.953 -2.957 8.141 935 HA ASN 119 HA ASN 119 -5.604 -4.702 8.464 936 1HB ASN 119 HB2 ASN 119 -6.115 -2.727 6.412 937 2HB ASN 119 HB1 ASN 119 -4.664 -2.315 7.321 938 1HD2 ASN 119 1HD2 ASN 119 -2.918 -3.755 7.324 939 2HD2 ASN 119 2HD2 ASN 119 -2.753 -4.981 6.118 940 H GLU 120 HN GLU 120 -7.059 -3.694 10.623 941 HA GLU 120 HA GLU 120 -5.915 -1.253 11.576 942 1HB GLU 120 HB2 GLU 120 -8.040 -2.961 12.341 943 2HB GLU 120 HB1 GLU 120 -6.970 -2.813 13.728 944 1HG GLU 120 HG2 GLU 120 -7.806 -0.370 12.241 945 2HG GLU 120 HG1 GLU 120 -8.916 -1.129 13.382 946 HA PRO 121 HA PRO 121 -3.576 -4.538 14.543 947 1HB PRO 121 HB2 PRO 121 -3.074 -6.357 12.218 948 2HB PRO 121 HB1 PRO 121 -3.206 -6.744 13.939 949 1HG PRO 121 HG2 PRO 121 -5.234 -7.223 12.280 950 2HG PRO 121 HG1 PRO 121 -5.522 -6.624 13.924 951 1HD PRO 121 HD2 PRO 121 -5.737 -5.199 11.326 952 2HD PRO 121 HD1 PRO 121 -6.626 -4.934 12.839 953 H VAL 122 HN VAL 122 -2.949 -3.911 11.129 954 HA VAL 122 HA VAL 122 -0.104 -3.722 11.453 955 HB VAL 122 HB VAL 122 -1.722 -2.653 9.142 956 1HG1 VAL 122 1HG1 VAL 122 1.133 -3.583 9.410 957 2HG1 VAL 122 2HG1 VAL 122 0.571 -1.937 9.124 958 3HG1 VAL 122 3HG1 VAL 122 0.356 -3.169 7.882 959 1HG2 VAL 122 1HG2 VAL 122 -2.458 -4.780 8.955 960 2HG2 VAL 122 2HG2 VAL 122 -1.152 -5.433 9.942 961 3HG2 VAL 122 3HG2 VAL 122 -0.864 -5.041 8.247 962 H ILE 123 HN ILE 123 -2.755 -1.425 10.914 963 HA ILE 123 HA ILE 123 -1.150 0.899 11.038 964 HB ILE 123 HB ILE 123 -4.099 0.636 11.641 965 1HG1 ILE 123 2HG1 ILE 123 -3.214 -0.175 9.359 966 2HG1 ILE 123 1HG1 ILE 123 -4.536 0.987 9.363 967 1HG2 ILE 123 1HG2 ILE 123 -2.255 2.938 11.348 968 2HG2 ILE 123 2HG2 ILE 123 -3.673 2.746 12.380 969 3HG2 ILE 123 3HG2 ILE 123 -3.871 3.092 10.662 970 1HD1 ILE 123 1HD1 ILE 123 -2.166 1.186 7.966 971 2HD1 ILE 123 2HD1 ILE 123 -1.966 2.302 9.320 972 3HD1 ILE 123 3HD1 ILE 123 -3.348 2.467 8.234 973 H ALA 124 HN ALA 124 -2.743 -1.056 13.467 974 HA ALA 124 HA ALA 124 -2.771 0.701 15.615 975 1HB ALA 124 HB1 ALA 124 -2.705 -2.238 15.309 976 2HB ALA 124 HB2 ALA 124 -3.825 -1.214 16.208 977 3HB ALA 124 HB3 ALA 124 -2.243 -1.600 16.886 978 H LYS 125 HN LYS 125 -0.116 -0.926 14.085 979 HA LYS 125 HA LYS 125 1.732 -0.503 16.255 980 1HB LYS 125 HB2 LYS 125 1.741 -2.287 14.301 981 2HB LYS 125 HB1 LYS 125 2.662 -1.040 13.473 982 1HG LYS 125 HG2 LYS 125 4.395 -2.118 14.423 983 2HG LYS 125 HG1 LYS 125 3.991 -1.078 15.791 984 1HD LYS 125 HD2 LYS 125 2.501 -3.613 15.647 985 2HD LYS 125 HD1 LYS 125 4.233 -3.771 15.942 986 1HE LYS 125 HE2 LYS 125 4.105 -2.401 17.886 987 2HE LYS 125 HE1 LYS 125 2.444 -1.936 17.522 988 1HZ LYS 125 HZ1 LYS 125 3.324 -4.695 18.185 989 2HZ LYS 125 HZ2 LYS 125 1.732 -4.184 17.933 990 3HZ LYS 125 HZ3 LYS 125 2.596 -3.623 19.275 991 H LEU 126 HN LEU 126 1.411 0.893 12.977 992 HA LEU 126 HA LEU 126 3.392 2.896 13.522 993 1HB LEU 126 HB2 LEU 126 3.501 2.965 11.311 994 2HB LEU 126 HB1 LEU 126 2.202 1.794 11.232 995 HG LEU 126 HG LEU 126 1.726 4.772 11.341 996 1HD1 LEU 126 1HD1 LEU 126 1.624 4.863 9.016 997 2HD1 LEU 126 2HD1 LEU 126 1.583 3.108 8.854 998 3HD1 LEU 126 3HD1 LEU 126 3.075 3.913 9.337 999 1HD2 LEU 126 1HD2 LEU 126 -0.248 3.118 10.026 1000 2HD2 LEU 126 2HD2 LEU 126 -0.442 4.274 11.343 1001 3HD2 LEU 126 3HD2 LEU 126 0.018 2.609 11.693 1002 H LYS 127 HN LYS 127 -0.081 2.708 13.668 1003 HA LYS 127 HA LYS 127 -0.790 5.388 13.576 1004 1HB LYS 127 HB2 LYS 127 -2.380 3.531 13.645 1005 2HB LYS 127 HB1 LYS 127 -1.975 3.231 15.323 1006 1HG LYS 127 HG2 LYS 127 -2.981 5.219 16.039 1007 2HG LYS 127 HG1 LYS 127 -3.036 5.879 14.403 1008 1HD LYS 127 HD2 LYS 127 -5.233 5.229 14.747 1009 2HD LYS 127 HD1 LYS 127 -4.556 3.834 13.903 1010 1HE LYS 127 HE2 LYS 127 -5.756 2.904 15.680 1011 2HE LYS 127 HE1 LYS 127 -4.082 2.889 16.233 1012 1HZ LYS 127 HZ1 LYS 127 -4.813 5.223 17.185 1013 2HZ LYS 127 HZ2 LYS 127 -5.068 3.791 18.047 1014 3HZ LYS 127 HZ3 LYS 127 -6.337 4.489 17.173 1015 H ARG 128 HN ARG 128 0.343 3.438 16.289 1016 HA ARG 128 HA ARG 128 0.089 5.448 18.262 1017 1HB ARG 128 HB2 ARG 128 0.343 3.038 18.776 1018 2HB ARG 128 HB1 ARG 128 1.990 3.095 18.167 1019 1HG ARG 128 HG2 ARG 128 1.843 5.132 20.071 1020 2HG ARG 128 HG1 ARG 128 0.973 3.765 20.772 1021 1HD ARG 128 HD2 ARG 128 3.366 3.741 21.338 1022 2HD ARG 128 HD1 ARG 128 2.882 2.322 20.412 1023 HE ARG 128 HE ARG 128 3.920 4.461 18.796 1024 1HH1 ARG 128 1HH1 ARG 128 4.744 1.658 20.705 1025 2HH1 ARG 128 2HH1 ARG 128 6.245 1.387 19.886 1026 1HH2 ARG 128 1HH2 ARG 128 5.893 4.105 17.717 1027 2HH2 ARG 128 2HH2 ARG 128 6.898 2.775 18.190 1028 H LEU 129 HN LEU 129 2.110 5.144 15.592 1029 HA LEU 129 HA LEU 129 3.991 6.215 14.878 1030 1HB LEU 129 HB2 LEU 129 2.542 8.131 16.578 1031 2HB LEU 129 HB1 LEU 129 4.228 8.523 16.307 1032 HG LEU 129 HG LEU 129 3.908 8.631 13.937 1033 1HD1 LEU 129 1HD1 LEU 129 1.283 8.387 13.324 1034 2HD1 LEU 129 2HD1 LEU 129 1.457 7.140 14.559 1035 3HD1 LEU 129 3HD1 LEU 129 2.477 7.106 13.120 1036 1HD2 LEU 129 1HD2 LEU 129 1.447 10.006 14.897 1037 2HD2 LEU 129 2HD2 LEU 129 2.728 10.592 13.835 1038 3HD2 LEU 129 3HD2 LEU 129 3.006 10.479 15.574 1039 1HO1 MO2 130 1HO1 MO2 130 -5.060 -3.361 -7.831 1040 2HO1 MO2 130 2HO1 MO2 130 -3.502 -3.683 -12.045 1041 1HO2 MO2 130 1HO2 MO2 130 -5.345 -2.004 -8.437 1042 2HO2 MO2 130 2HO2 MO2 130 -4.821 -3.319 -11.400 1043 1H5* 8OG 131 1H5* ODG 131 -6.772 -3.852 -2.907 1044 2H5* 8OG 131 2H5* ODG 131 -6.075 -5.062 -3.950 1045 H4* 8OG 131 1H4* ODG 131 -6.982 -6.075 -1.971 1046 H3* 8OG 131 1H3* ODG 131 -7.760 -6.844 -4.580 1047 1H2* 8OG 131 1H2* ODG 131 -9.963 -7.220 -4.395 1048 2H2* 8OG 131 2H2* ODG 131 -9.687 -8.226 -2.991 1049 H1* 8OG 131 1H1* ODG 131 -10.430 -6.650 -1.631 1050 H1 8OG 131 H1 ODG 131 -16.044 -4.699 -1.162 1051 H7 8OG 131 H7 ODG 131 -13.061 -3.936 -5.086 1052 1H2 8OG 131 H21 ODG 131 -14.092 -6.470 1.139 1053 2H2 8OG 131 H22 ODG 131 -15.634 -5.758 0.795 1054 H3T 8OG 131 *HO1 ODG 131 -7.490 -8.959 -3.663 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -11.726 -23.161 -0.995 2 2H MET 1 HT2 MET 1 -10.156 -23.434 -1.630 3 3H MET 1 HT3 MET 1 -11.341 -22.636 -2.580 4 HA MET 1 HA MET 1 -11.400 -20.931 -0.761 5 1HB MET 1 HB2 MET 1 -9.051 -22.639 -0.048 6 2HB MET 1 HB1 MET 1 -8.955 -20.909 0.248 7 1HG MET 1 HG2 MET 1 -9.713 -21.772 2.258 8 2HG MET 1 HG1 MET 1 -11.180 -21.185 1.477 9 1HE MET 1 HE1 MET 1 -9.281 -24.552 2.716 10 2HE MET 1 HE2 MET 1 -10.816 -25.005 3.454 11 3HE MET 1 HE3 MET 1 -10.136 -23.404 3.745 12 H LYS 2 HN LYS 2 -10.736 -19.014 -1.583 13 HA LYS 2 HA LYS 2 -8.855 -19.123 -3.845 14 1HB LYS 2 HB2 LYS 2 -11.348 -18.345 -4.081 15 2HB LYS 2 HB1 LYS 2 -10.742 -16.841 -3.400 16 1HG LYS 2 HG2 LYS 2 -9.401 -18.086 -5.764 17 2HG LYS 2 HG1 LYS 2 -10.857 -17.109 -5.960 18 1HD LYS 2 HD2 LYS 2 -9.692 -15.284 -4.697 19 2HD LYS 2 HD1 LYS 2 -8.223 -16.258 -4.769 20 1HE LYS 2 HE2 LYS 2 -7.837 -15.131 -6.672 21 2HE LYS 2 HE1 LYS 2 -8.986 -16.270 -7.372 22 1HZ LYS 2 HZ1 LYS 2 -9.274 -13.685 -7.636 23 2HZ LYS 2 HZ2 LYS 2 -10.052 -13.839 -6.142 24 3HZ LYS 2 HZ3 LYS 2 -10.613 -14.707 -7.481 25 H LYS 3 HN LYS 3 -6.896 -18.626 -3.043 26 HA LYS 3 HA LYS 3 -6.524 -16.708 -0.946 27 1HB LYS 3 HB2 LYS 3 -4.272 -17.300 -0.980 28 2HB LYS 3 HB1 LYS 3 -5.069 -18.772 -1.511 29 1HG LYS 3 HG2 LYS 3 -3.743 -16.745 -3.302 30 2HG LYS 3 HG1 LYS 3 -3.069 -18.303 -2.822 31 1HD LYS 3 HD2 LYS 3 -5.642 -17.938 -4.356 32 2HD LYS 3 HD1 LYS 3 -4.083 -18.324 -5.085 33 1HE LYS 3 HE2 LYS 3 -3.982 -20.403 -3.850 34 2HE LYS 3 HE1 LYS 3 -5.480 -20.009 -3.010 35 1HZ LYS 3 HZ1 LYS 3 -5.593 -20.011 -5.916 36 2HZ LYS 3 HZ2 LYS 3 -6.728 -20.557 -4.788 37 3HZ LYS 3 HZ3 LYS 3 -5.394 -21.520 -5.179 38 H LEU 4 HN LEU 4 -5.612 -14.664 -1.064 39 HA LEU 4 HA LEU 4 -5.073 -13.523 -3.689 40 1HB LEU 4 HB2 LEU 4 -6.562 -11.635 -3.343 41 2HB LEU 4 HB1 LEU 4 -7.459 -13.141 -3.351 42 HG LEU 4 HG LEU 4 -7.039 -12.860 -0.695 43 1HD1 LEU 4 1HD1 LEU 4 -6.064 -10.817 -0.466 44 2HD1 LEU 4 2HD1 LEU 4 -7.757 -10.329 -0.442 45 3HD1 LEU 4 3HD1 LEU 4 -6.814 -10.170 -1.925 46 1HD2 LEU 4 1HD2 LEU 4 -9.228 -12.071 -2.539 47 2HD2 LEU 4 2HD2 LEU 4 -9.352 -11.579 -0.850 48 3HD2 LEU 4 3HD2 LEU 4 -9.205 -13.287 -1.263 49 H GLN 5 HN GLN 5 -3.365 -12.227 -3.618 50 HA GLN 5 HA GLN 5 -2.403 -11.332 -1.001 51 1HB GLN 5 HB2 GLN 5 -0.843 -11.582 -3.566 52 2HB GLN 5 HB1 GLN 5 -0.194 -11.236 -1.968 53 1HG GLN 5 HG2 GLN 5 -1.269 -13.483 -1.309 54 2HG GLN 5 HG1 GLN 5 -1.313 -13.779 -3.038 55 1HE2 GLN 5 1HE2 GLN 5 1.023 -12.662 -3.878 56 2HE2 GLN 5 2HE2 GLN 5 2.365 -13.510 -3.196 57 H ILE 6 HN ILE 6 -1.484 -9.282 -0.768 58 HA ILE 6 HA ILE 6 -1.913 -7.301 -2.845 59 HB ILE 6 HB ILE 6 -3.083 -6.993 -0.074 60 1HG1 ILE 6 2HG1 ILE 6 -5.197 -6.705 -1.669 61 2HG1 ILE 6 1HG1 ILE 6 -4.246 -7.760 -2.710 62 1HG2 ILE 6 1HG2 ILE 6 -3.903 -4.864 -0.836 63 2HG2 ILE 6 2HG2 ILE 6 -3.231 -5.143 -2.442 64 3HG2 ILE 6 3HG2 ILE 6 -2.155 -4.935 -1.062 65 1HD1 ILE 6 1HD1 ILE 6 -5.934 -8.530 -0.664 66 2HD1 ILE 6 2HD1 ILE 6 -4.316 -8.730 0.009 67 3HD1 ILE 6 3HD1 ILE 6 -4.753 -9.541 -1.495 68 H ALA 7 HN ALA 7 -0.272 -5.850 -2.857 69 HA ALA 7 HA ALA 7 1.412 -5.687 -0.434 70 1HB ALA 7 HB1 ALA 7 2.966 -6.714 -1.705 71 2HB ALA 7 HB2 ALA 7 3.178 -5.109 -2.405 72 3HB ALA 7 HB3 ALA 7 2.158 -6.295 -3.215 73 H VAL 8 HN VAL 8 1.578 -3.685 0.353 74 HA VAL 8 HA VAL 8 1.060 -1.452 -1.492 75 HB VAL 8 HB VAL 8 -0.445 -0.516 -0.136 76 1HG1 VAL 8 1HG1 VAL 8 -0.399 -3.070 1.451 77 2HG1 VAL 8 2HG1 VAL 8 -1.105 -2.937 -0.159 78 3HG1 VAL 8 3HG1 VAL 8 -1.765 -1.988 1.174 79 1HG2 VAL 8 1HG2 VAL 8 1.310 -1.299 2.184 80 2HG2 VAL 8 2HG2 VAL 8 -0.198 -0.401 2.355 81 3HG2 VAL 8 3HG2 VAL 8 1.147 0.295 1.447 82 H GLY 9 HN GLY 9 1.955 0.614 -0.835 83 1HA GLY 9 HA2 GLY 9 4.251 0.535 0.947 84 2HA GLY 9 HA1 GLY 9 4.593 0.836 -0.747 85 H ILE 10 HN ILE 10 3.916 2.277 2.168 86 HA ILE 10 HA ILE 10 2.415 4.540 1.246 87 HB ILE 10 HB ILE 10 3.984 5.291 3.525 88 1HG1 ILE 10 2HG1 ILE 10 4.306 2.843 3.867 89 2HG1 ILE 10 1HG1 ILE 10 3.385 3.608 5.155 90 1HG2 ILE 10 1HG2 ILE 10 2.016 6.296 3.734 91 2HG2 ILE 10 2HG2 ILE 10 1.417 4.782 4.410 92 3HG2 ILE 10 3HG2 ILE 10 1.215 5.121 2.691 93 1HD1 ILE 10 1HD1 ILE 10 2.662 1.315 4.011 94 2HD1 ILE 10 2HD1 ILE 10 1.824 2.439 2.942 95 3HD1 ILE 10 3HD1 ILE 10 1.502 2.464 4.676 96 H ILE 11 HN ILE 11 3.261 5.762 -0.334 97 HA ILE 11 HA ILE 11 6.058 6.091 -0.716 98 HB ILE 11 HB ILE 11 4.145 8.027 -1.922 99 1HG1 ILE 11 2HG1 ILE 11 4.274 5.070 -2.500 100 2HG1 ILE 11 1HG1 ILE 11 2.851 6.080 -2.255 101 1HG2 ILE 11 1HG2 ILE 11 6.166 6.552 -3.489 102 2HG2 ILE 11 2HG2 ILE 11 6.783 7.626 -2.234 103 3HG2 ILE 11 3HG2 ILE 11 5.740 8.262 -3.506 104 1HD1 ILE 11 1HD1 ILE 11 4.693 6.206 -4.626 105 2HD1 ILE 11 2HD1 ILE 11 3.231 7.163 -4.391 106 3HD1 ILE 11 3HD1 ILE 11 3.118 5.413 -4.588 107 H ARG 12 HN ARG 12 7.401 7.412 0.281 108 HA ARG 12 HA ARG 12 6.291 9.562 1.906 109 1HB ARG 12 HB2 ARG 12 7.823 8.828 3.347 110 2HB ARG 12 HB1 ARG 12 8.519 7.772 2.136 111 1HG ARG 12 HG2 ARG 12 10.354 8.973 2.249 112 2HG ARG 12 HG1 ARG 12 9.491 10.316 1.516 113 1HD ARG 12 HD2 ARG 12 9.773 11.476 3.387 114 2HD ARG 12 HD1 ARG 12 8.779 10.295 4.239 115 HE ARG 12 HE ARG 12 10.676 9.432 5.186 116 1HH1 ARG 12 1HH1 ARG 12 11.580 11.459 2.493 117 2HH1 ARG 12 2HH1 ARG 12 13.274 11.388 2.847 118 1HH2 ARG 12 1HH2 ARG 12 12.902 9.337 5.653 119 2HH2 ARG 12 2HH2 ARG 12 14.025 10.183 4.640 120 H ASN 13 HN ASN 13 6.380 11.598 1.385 121 HA ASN 13 HA ASN 13 7.360 12.430 -1.152 122 1HB ASN 13 HB2 ASN 13 5.389 13.327 0.466 123 2HB ASN 13 HB1 ASN 13 6.619 14.538 0.719 124 1HD2 ASN 13 1HD2 ASN 13 4.568 15.605 -0.315 125 2HD2 ASN 13 2HD2 ASN 13 4.681 15.836 -2.024 126 H GLU 14 HN GLU 14 8.184 14.859 -0.944 127 HA GLU 14 HA GLU 14 10.932 14.688 -0.566 128 1HB GLU 14 HB2 GLU 14 10.075 16.253 -2.118 129 2HB GLU 14 HB1 GLU 14 9.039 16.996 -0.904 130 1HG GLU 14 HG2 GLU 14 10.745 18.235 -0.014 131 2HG GLU 14 HG1 GLU 14 11.985 17.077 -0.493 132 H ASN 15 HN ASN 15 8.502 15.309 1.748 133 HA ASN 15 HA ASN 15 10.561 16.255 3.630 134 1HB ASN 15 HB2 ASN 15 8.946 18.021 3.197 135 2HB ASN 15 HB1 ASN 15 7.615 16.940 3.589 136 1HD2 ASN 15 1HD2 ASN 15 7.437 19.068 4.958 137 2HD2 ASN 15 2HD2 ASN 15 8.041 18.924 6.571 138 H ASN 16 HN ASN 16 7.249 15.201 4.280 139 HA ASN 16 HA ASN 16 8.107 12.665 5.342 140 1HB ASN 16 HB2 ASN 16 7.320 13.138 7.657 141 2HB ASN 16 HB1 ASN 16 8.755 14.054 7.205 142 1HD2 ASN 16 1HD2 ASN 16 8.025 15.352 9.065 143 2HD2 ASN 16 2HD2 ASN 16 6.891 16.623 8.775 144 H GLU 17 HN GLU 17 6.005 14.111 3.569 145 HA GLU 17 HA GLU 17 3.595 12.953 4.774 146 1HB GLU 17 HB2 GLU 17 2.495 14.170 2.763 147 2HB GLU 17 HB1 GLU 17 3.059 15.125 4.127 148 1HG GLU 17 HG2 GLU 17 5.004 14.708 1.957 149 2HG GLU 17 HG1 GLU 17 3.602 15.700 1.562 150 H ILE 18 HN ILE 18 2.211 11.594 3.442 151 HA ILE 18 HA ILE 18 3.707 10.270 1.287 152 HB ILE 18 HB ILE 18 3.796 8.739 3.057 153 1HG1 ILE 18 2HG1 ILE 18 2.681 8.006 0.741 154 2HG1 ILE 18 1HG1 ILE 18 2.935 6.871 2.056 155 1HG2 ILE 18 1HG2 ILE 18 1.959 8.129 4.480 156 2HG2 ILE 18 2HG2 ILE 18 0.850 9.127 3.540 157 3HG2 ILE 18 3HG2 ILE 18 2.141 9.882 4.473 158 1HD1 ILE 18 1HD1 ILE 18 0.583 7.273 2.756 159 2HD1 ILE 18 2HD1 ILE 18 0.757 6.539 1.162 160 3HD1 ILE 18 3HD1 ILE 18 0.380 8.254 1.306 161 H PHE 19 HN PHE 19 2.623 9.566 -0.483 162 HA PHE 19 HA PHE 19 0.100 10.865 -1.026 163 1HB PHE 19 HB2 PHE 19 1.879 10.883 -2.711 164 2HB PHE 19 HB1 PHE 19 1.876 9.125 -2.755 165 HD1 PHE 19 HD1 PHE 19 0.182 12.166 -3.816 166 HD2 PHE 19 HD2 PHE 19 0.058 7.913 -3.830 167 HE1 PHE 19 HE1 PHE 19 -1.493 12.224 -5.616 168 HE2 PHE 19 HE2 PHE 19 -1.620 7.963 -5.628 169 HZ PHE 19 HZ PHE 19 -2.396 10.120 -6.525 170 H ILE 20 HN ILE 20 -1.396 9.748 0.258 171 HA ILE 20 HA ILE 20 -1.760 6.900 -0.336 172 HB ILE 20 HB ILE 20 -3.575 7.512 1.644 173 1HG1 ILE 20 2HG1 ILE 20 -0.997 8.913 2.362 174 2HG1 ILE 20 1HG1 ILE 20 -2.480 9.745 1.907 175 1HG2 ILE 20 1HG2 ILE 20 -2.597 5.610 2.235 176 2HG2 ILE 20 2HG2 ILE 20 -1.350 6.587 3.007 177 3HG2 ILE 20 3HG2 ILE 20 -1.124 6.014 1.355 178 1HD1 ILE 20 1HD1 ILE 20 -2.299 7.846 4.226 179 2HD1 ILE 20 2HD1 ILE 20 -3.603 8.968 3.841 180 3HD1 ILE 20 3HD1 ILE 20 -2.035 9.585 4.363 181 H THR 21 HN THR 21 -4.031 6.158 -0.535 182 HA THR 21 HA THR 21 -5.509 7.978 -2.262 183 HB THR 21 HB THR 21 -6.674 6.101 -3.056 184 HG1 THR 21 HG1 THR 21 -7.217 4.483 -1.834 185 1HG2 THR 21 1HG2 THR 21 -4.191 4.639 -2.324 186 2HG2 THR 21 2HG2 THR 21 -4.092 6.046 -3.383 187 3HG2 THR 21 3HG2 THR 21 -5.082 4.662 -3.845 188 H ARG 22 HN ARG 22 -7.007 9.265 -1.418 189 HA ARG 22 HA ARG 22 -8.521 8.302 0.922 190 1HB ARG 22 HB2 ARG 22 -6.947 10.215 1.364 191 2HB ARG 22 HB1 ARG 22 -7.913 11.186 0.262 192 1HG ARG 22 HG2 ARG 22 -9.669 11.346 1.715 193 2HG ARG 22 HG1 ARG 22 -9.285 9.822 2.517 194 1HD ARG 22 HD2 ARG 22 -8.538 11.186 4.151 195 2HD ARG 22 HD1 ARG 22 -7.090 11.240 3.147 196 HE ARG 22 HE ARG 22 -8.718 13.266 2.233 197 1HH1 ARG 22 1HH1 ARG 22 -7.181 12.426 5.251 198 2HH1 ARG 22 2HH1 ARG 22 -7.020 14.069 5.771 199 1HH2 ARG 22 1HH2 ARG 22 -8.506 15.429 2.914 200 2HH2 ARG 22 2HH2 ARG 22 -7.772 15.775 4.445 201 H ARG 23 HN ARG 23 -10.587 7.937 0.507 202 HA ARG 23 HA ARG 23 -12.612 7.936 -0.530 203 1HB ARG 23 HB2 ARG 23 -12.800 10.060 0.617 204 2HB ARG 23 HB1 ARG 23 -11.972 10.879 -0.698 205 1HG ARG 23 HG2 ARG 23 -14.046 9.719 -2.017 206 2HG ARG 23 HG1 ARG 23 -14.773 10.062 -0.446 207 1HD ARG 23 HD2 ARG 23 -13.336 12.051 -2.201 208 2HD ARG 23 HD1 ARG 23 -15.084 11.919 -2.012 209 HE ARG 23 HE ARG 23 -13.224 13.136 -0.185 210 1HH1 ARG 23 1HH1 ARG 23 -16.371 11.662 -0.514 211 2HH1 ARG 23 2HH1 ARG 23 -17.024 12.451 0.882 212 1HH2 ARG 23 1HH2 ARG 23 -14.082 14.174 1.652 213 2HH2 ARG 23 2HH2 ARG 23 -15.725 13.876 2.112 214 H ALA 24 HN ALA 24 -12.000 10.612 -2.577 215 HA ALA 24 HA ALA 24 -10.738 9.521 -4.763 216 1HB ALA 24 HB1 ALA 24 -12.194 7.863 -5.291 217 2HB ALA 24 HB2 ALA 24 -13.016 9.183 -6.125 218 3HB ALA 24 HB3 ALA 24 -13.564 8.671 -4.528 219 H ALA 25 HN ALA 25 -13.910 11.125 -4.434 220 HA ALA 25 HA ALA 25 -12.862 13.706 -5.040 221 1HB ALA 25 HB1 ALA 25 -13.921 12.041 -7.241 222 2HB ALA 25 HB2 ALA 25 -12.736 13.347 -7.271 223 3HB ALA 25 HB3 ALA 25 -14.458 13.721 -7.192 224 H ASP 26 HN ASP 26 -15.843 11.793 -5.479 225 HA ASP 26 HA ASP 26 -17.213 13.227 -3.424 226 1HB ASP 26 HB2 ASP 26 -18.990 14.155 -4.946 227 2HB ASP 26 HB1 ASP 26 -17.427 14.960 -5.066 228 H ALA 27 HN ALA 27 -17.681 11.192 -2.626 229 HA ALA 27 HA ALA 27 -20.016 9.941 -3.687 230 1HB ALA 27 HB1 ALA 27 -19.227 8.055 -4.648 231 2HB ALA 27 HB2 ALA 27 -17.836 7.955 -3.568 232 3HB ALA 27 HB3 ALA 27 -17.809 9.061 -4.941 233 H HIS 28 HN HIS 28 -19.971 7.515 -2.471 234 HA HIS 28 HA HIS 28 -19.813 8.268 0.357 235 1HB HIS 28 HB2 HIS 28 -21.905 7.233 -0.944 236 2HB HIS 28 HB1 HIS 28 -21.108 5.728 -0.499 237 HD1 HIS 28 HD1 HIS 28 -23.623 5.797 0.825 238 HD2 HIS 28 HD2 HIS 28 -20.445 7.984 2.370 239 HE1 HIS 28 HE1 HIS 28 -24.203 6.213 3.236 240 HE2 HIS 28 HE2 HIS 28 -22.306 7.612 4.127 241 H MET 29 HN MET 29 -17.356 7.842 -0.470 242 HA MET 29 HA MET 29 -16.693 5.193 0.614 243 1HB MET 29 HB2 MET 29 -15.425 6.507 -1.794 244 2HB MET 29 HB1 MET 29 -14.798 5.069 -1.001 245 1HG MET 29 HG2 MET 29 -17.353 4.317 -1.465 246 2HG MET 29 HG1 MET 29 -17.062 5.382 -2.838 247 1HE MET 29 HE1 MET 29 -16.667 1.576 -4.041 248 2HE MET 29 HE2 MET 29 -17.804 2.916 -3.889 249 3HE MET 29 HE3 MET 29 -17.452 1.896 -2.495 250 H ALA 30 HN ALA 30 -16.792 7.640 2.021 251 HA ALA 30 HA ALA 30 -14.325 8.961 2.220 252 1HB ALA 30 HB1 ALA 30 -15.168 9.555 4.551 253 2HB ALA 30 HB2 ALA 30 -16.606 8.621 4.142 254 3HB ALA 30 HB3 ALA 30 -16.173 10.037 3.184 255 H ASN 31 HN ASN 31 -15.275 5.836 3.263 256 HA ASN 31 HA ASN 31 -13.100 5.652 5.205 257 1HB ASN 31 HB2 ASN 31 -15.651 4.353 4.865 258 2HB ASN 31 HB1 ASN 31 -14.370 3.147 4.950 259 1HD2 ASN 31 1HD2 ASN 31 -15.152 2.435 6.946 260 2HD2 ASN 31 2HD2 ASN 31 -14.882 3.334 8.398 261 H LYS 32 HN LYS 32 -12.542 5.935 2.358 262 HA LYS 32 HA LYS 32 -11.310 3.329 1.808 263 1HB LYS 32 HB2 LYS 32 -12.976 4.731 0.173 264 2HB LYS 32 HB1 LYS 32 -11.405 5.291 -0.384 265 1HG LYS 32 HG2 LYS 32 -11.307 3.476 -1.649 266 2HG LYS 32 HG1 LYS 32 -11.126 2.535 -0.168 267 1HD LYS 32 HD2 LYS 32 -13.884 3.294 -0.900 268 2HD LYS 32 HD1 LYS 32 -13.090 2.128 -1.962 269 1HE LYS 32 HE2 LYS 32 -12.817 0.570 -0.246 270 2HE LYS 32 HE1 LYS 32 -13.060 1.779 1.015 271 1HZ LYS 32 HZ1 LYS 32 -15.405 1.960 0.020 272 2HZ LYS 32 HZ2 LYS 32 -15.045 0.622 0.991 273 3HZ LYS 32 HZ3 LYS 32 -15.071 0.461 -0.692 274 H LEU 33 HN LEU 33 -10.288 5.468 3.517 275 HA LEU 33 HA LEU 33 -8.143 6.788 2.196 276 1HB LEU 33 HB2 LEU 33 -9.163 7.530 4.346 277 2HB LEU 33 HB1 LEU 33 -8.420 6.153 5.135 278 HG LEU 33 HG LEU 33 -6.226 7.023 4.783 279 1HD1 LEU 33 1HD1 LEU 33 -6.306 9.489 3.700 280 2HD1 LEU 33 2HD1 LEU 33 -7.587 8.698 2.781 281 3HD1 LEU 33 3HD1 LEU 33 -5.958 8.023 2.783 282 1HD2 LEU 33 1HD2 LEU 33 -7.654 7.985 6.623 283 2HD2 LEU 33 2HD2 LEU 33 -7.915 9.381 5.579 284 3HD2 LEU 33 3HD2 LEU 33 -6.286 8.977 6.120 285 H GLU 34 HN GLU 34 -7.610 4.591 1.092 286 HA GLU 34 HA GLU 34 -5.691 3.090 2.732 287 1HB GLU 34 HB2 GLU 34 -7.714 2.076 1.291 288 2HB GLU 34 HB1 GLU 34 -6.471 2.094 0.048 289 1HG GLU 34 HG2 GLU 34 -5.382 1.017 2.459 290 2HG GLU 34 HG1 GLU 34 -6.886 0.185 2.069 291 H PHE 35 HN PHE 35 -3.994 2.011 1.063 292 HA PHE 35 HA PHE 35 -2.799 4.270 -0.401 293 1HB PHE 35 HB2 PHE 35 -0.723 2.495 0.267 294 2HB PHE 35 HB1 PHE 35 -1.021 4.093 0.938 295 HD1 PHE 35 HD1 PHE 35 -1.199 4.273 3.216 296 HD2 PHE 35 HD2 PHE 35 -2.213 0.580 1.360 297 HE1 PHE 35 HE1 PHE 35 -1.581 3.271 5.430 298 HE2 PHE 35 HE2 PHE 35 -2.598 -0.429 3.571 299 HZ PHE 35 HZ PHE 35 -2.283 0.916 5.610 300 HA PRO 36 HA PRO 36 -2.381 1.934 -4.112 301 1HB PRO 36 HB2 PRO 36 0.255 2.317 -4.772 302 2HB PRO 36 HB1 PRO 36 -1.014 3.518 -5.030 303 1HG PRO 36 HG2 PRO 36 0.971 3.308 -2.799 304 2HG PRO 36 HG1 PRO 36 0.430 4.746 -3.687 305 1HD PRO 36 HD2 PRO 36 -0.517 4.174 -1.246 306 2HD PRO 36 HD1 PRO 36 -1.556 4.887 -2.498 307 H GLY 37 HN GLY 37 -1.176 0.102 -5.153 308 1HA GLY 37 HA2 GLY 37 0.351 -1.735 -4.945 309 2HA GLY 37 HA1 GLY 37 0.306 -1.513 -3.219 310 H GLY 38 HN GLY 38 -1.999 -2.051 -5.766 311 1HA GLY 38 HA2 GLY 38 -3.125 -4.321 -4.270 312 2HA GLY 38 HA1 GLY 38 -4.163 -3.112 -5.018 313 H LYS 39 HN LYS 39 -3.017 -6.147 -5.409 314 HA LYS 39 HA LYS 39 -3.777 -7.421 -7.290 315 1HB LYS 39 HB2 LYS 39 -4.361 -5.403 -8.619 316 2HB LYS 39 HB1 LYS 39 -2.656 -5.196 -8.996 317 1HG LYS 39 HG2 LYS 39 -2.762 -6.665 -10.648 318 2HG LYS 39 HG1 LYS 39 -3.517 -7.873 -9.608 319 1HD LYS 39 HD2 LYS 39 -5.155 -5.594 -10.628 320 2HD LYS 39 HD1 LYS 39 -4.784 -6.940 -11.706 321 1HE LYS 39 HE2 LYS 39 -6.633 -7.861 -10.822 322 2HE LYS 39 HE1 LYS 39 -5.569 -8.265 -9.474 323 1HZ LYS 39 HZ1 LYS 39 -7.700 -6.301 -9.629 324 2HZ LYS 39 HZ2 LYS 39 -6.314 -5.803 -8.798 325 3HZ LYS 39 HZ3 LYS 39 -7.142 -7.193 -8.304 326 H ILE 40 HN ILE 40 -0.974 -6.452 -5.968 327 HA ILE 40 HA ILE 40 1.055 -7.264 -7.666 328 HB ILE 40 HB ILE 40 2.481 -7.451 -5.838 329 1HG1 ILE 40 2HG1 ILE 40 0.477 -7.590 -3.679 330 2HG1 ILE 40 1HG1 ILE 40 0.555 -9.029 -4.686 331 1HG2 ILE 40 1HG2 ILE 40 0.904 -5.289 -6.114 332 2HG2 ILE 40 2HG2 ILE 40 2.243 -5.391 -4.973 333 3HG2 ILE 40 3HG2 ILE 40 0.595 -5.696 -4.429 334 1HD1 ILE 40 1HD1 ILE 40 2.113 -8.556 -2.523 335 2HD1 ILE 40 2HD1 ILE 40 3.163 -8.033 -3.842 336 3HD1 ILE 40 3HD1 ILE 40 2.504 -9.669 -3.835 337 H GLU 41 HN GLU 41 -1.245 -9.092 -5.931 338 HA GLU 41 HA GLU 41 -0.174 -11.572 -5.657 339 1HB GLU 41 HB2 GLU 41 -2.585 -12.372 -6.266 340 2HB GLU 41 HB1 GLU 41 -2.311 -11.408 -4.830 341 1HG GLU 41 HG2 GLU 41 -3.729 -9.879 -5.535 342 2HG GLU 41 HG1 GLU 41 -2.814 -9.649 -7.016 343 H MET 42 HN MET 42 -2.381 -11.095 -8.383 344 HA MET 42 HA MET 42 -2.452 -12.268 -10.373 345 1HB MET 42 HB2 MET 42 0.116 -10.693 -10.417 346 2HB MET 42 HB1 MET 42 -0.497 -11.527 -11.837 347 1HG MET 42 HG2 MET 42 -2.443 -9.799 -10.489 348 2HG MET 42 HG1 MET 42 -1.055 -8.962 -11.184 349 1HE MET 42 HE1 MET 42 -4.777 -9.736 -12.981 350 2HE MET 42 HE2 MET 42 -3.964 -8.173 -13.049 351 3HE MET 42 HE3 MET 42 -4.123 -9.018 -11.509 352 H GLY 43 HN GLY 43 1.061 -12.421 -10.137 353 1HA GLY 43 HA2 GLY 43 1.165 -15.175 -9.387 354 2HA GLY 43 HA1 GLY 43 1.362 -14.961 -11.112 355 H GLU 44 HN GLU 44 2.465 -12.608 -8.825 356 HA GLU 44 HA GLU 44 5.198 -13.043 -9.759 357 1HB GLU 44 HB2 GLU 44 3.764 -10.792 -8.415 358 2HB GLU 44 HB1 GLU 44 5.514 -10.888 -8.283 359 1HG GLU 44 HG2 GLU 44 4.763 -9.440 -10.120 360 2HG GLU 44 HG1 GLU 44 5.754 -10.790 -10.670 361 H THR 45 HN THR 45 6.824 -12.287 -7.822 362 HA THR 45 HA THR 45 6.308 -14.218 -5.660 363 HB THR 45 HB THR 45 9.064 -13.391 -5.812 364 HG1 THR 45 HG1 THR 45 9.437 -13.430 -7.859 365 1HG2 THR 45 1HG2 THR 45 7.537 -15.862 -5.719 366 2HG2 THR 45 2HG2 THR 45 9.101 -15.458 -5.008 367 3HG2 THR 45 3HG2 THR 45 9.004 -15.976 -6.693 368 HA PRO 46 HA PRO 46 6.280 -11.291 -2.374 369 1HB PRO 46 HB2 PRO 46 8.686 -12.049 -1.064 370 2HB PRO 46 HB1 PRO 46 7.045 -12.563 -0.674 371 1HG PRO 46 HG2 PRO 46 9.123 -13.943 -2.282 372 2HG PRO 46 HG1 PRO 46 7.849 -14.629 -1.257 373 1HD PRO 46 HD2 PRO 46 7.652 -14.708 -3.911 374 2HD PRO 46 HD1 PRO 46 6.222 -14.384 -2.909 375 H GLU 47 HN GLU 47 9.189 -11.691 -4.273 376 HA GLU 47 HA GLU 47 10.261 -9.132 -3.427 377 1HB GLU 47 HB2 GLU 47 11.249 -11.430 -5.031 378 2HB GLU 47 HB1 GLU 47 11.946 -9.851 -5.364 379 1HG GLU 47 HG2 GLU 47 13.368 -10.827 -3.790 380 2HG GLU 47 HG1 GLU 47 12.389 -9.683 -2.873 381 H GLN 48 HN GLN 48 9.493 -10.579 -6.626 382 HA GLN 48 HA GLN 48 9.461 -7.961 -7.831 383 1HB GLN 48 HB2 GLN 48 8.701 -9.307 -9.880 384 2HB GLN 48 HB1 GLN 48 10.320 -9.589 -9.258 385 1HG GLN 48 HG2 GLN 48 9.895 -11.732 -8.905 386 2HG GLN 48 HG1 GLN 48 8.422 -11.359 -8.015 387 1HE2 GLN 48 1HE2 GLN 48 7.823 -13.422 -9.126 388 2HE2 GLN 48 2HE2 GLN 48 7.091 -13.295 -10.687 389 H ALA 49 HN ALA 49 7.169 -9.587 -6.057 390 HA ALA 49 HA ALA 49 4.826 -9.167 -7.556 391 1HB ALA 49 HB1 ALA 49 3.629 -9.427 -5.453 392 2HB ALA 49 HB2 ALA 49 5.139 -9.250 -4.560 393 3HB ALA 49 HB3 ALA 49 4.894 -10.643 -5.614 394 H VAL 50 HN VAL 50 6.199 -7.209 -4.908 395 HA VAL 50 HA VAL 50 4.355 -5.061 -5.429 396 HB VAL 50 HB VAL 50 5.090 -4.065 -3.515 397 1HG1 VAL 50 1HG1 VAL 50 5.098 -5.655 -1.924 398 2HG1 VAL 50 2HG1 VAL 50 6.459 -6.518 -2.639 399 3HG1 VAL 50 3HG1 VAL 50 4.835 -6.736 -3.292 400 1HG2 VAL 50 1HG2 VAL 50 7.406 -4.133 -2.661 401 2HG2 VAL 50 2HG2 VAL 50 7.301 -3.476 -4.294 402 3HG2 VAL 50 3HG2 VAL 50 7.862 -5.129 -4.045 403 H VAL 51 HN VAL 51 7.823 -5.601 -5.913 404 HA VAL 51 HA VAL 51 8.528 -3.111 -6.900 405 HB VAL 51 HB VAL 51 9.656 -5.777 -7.765 406 1HG1 VAL 51 1HG1 VAL 51 11.718 -4.002 -7.800 407 2HG1 VAL 51 2HG1 VAL 51 10.378 -2.993 -8.347 408 3HG1 VAL 51 3HG1 VAL 51 10.777 -4.475 -9.215 409 1HG2 VAL 51 1HG2 VAL 51 11.339 -5.364 -6.003 410 2HG2 VAL 51 2HG2 VAL 51 9.710 -5.562 -5.357 411 3HG2 VAL 51 3HG2 VAL 51 10.415 -3.952 -5.489 412 H ARG 52 HN ARG 52 7.039 -5.840 -8.544 413 HA ARG 52 HA ARG 52 7.255 -4.627 -11.129 414 1HB ARG 52 HB2 ARG 52 7.184 -7.104 -10.744 415 2HB ARG 52 HB1 ARG 52 5.489 -6.933 -10.312 416 1HG ARG 52 HG2 ARG 52 5.441 -7.602 -12.537 417 2HG ARG 52 HG1 ARG 52 5.204 -5.855 -12.616 418 1HD ARG 52 HD2 ARG 52 7.079 -5.564 -13.787 419 2HD ARG 52 HD1 ARG 52 8.012 -6.568 -12.679 420 HE ARG 52 HE ARG 52 6.330 -8.068 -14.463 421 1HH1 ARG 52 1HH1 ARG 52 9.444 -6.542 -14.072 422 2HH1 ARG 52 2HH1 ARG 52 10.222 -7.541 -15.253 423 1HH2 ARG 52 1HH2 ARG 52 7.351 -9.382 -16.017 424 2HH2 ARG 52 2HH2 ARG 52 9.034 -9.153 -16.359 425 H GLU 53 HN GLU 53 4.592 -5.222 -8.859 426 HA GLU 53 HA GLU 53 2.624 -3.919 -10.423 427 1HB GLU 53 HB2 GLU 53 2.331 -5.596 -8.475 428 2HB GLU 53 HB1 GLU 53 2.471 -4.186 -7.434 429 1HG GLU 53 HG2 GLU 53 0.150 -4.709 -7.833 430 2HG GLU 53 HG1 GLU 53 0.562 -3.164 -8.573 431 H LEU 54 HN LEU 54 5.069 -2.756 -8.278 432 HA LEU 54 HA LEU 54 3.946 -0.375 -7.374 433 1HB LEU 54 HB2 LEU 54 6.553 -1.551 -7.528 434 2HB LEU 54 HB1 LEU 54 6.660 0.136 -7.989 435 HG LEU 54 HG LEU 54 5.838 0.868 -5.890 436 1HD1 LEU 54 1HD1 LEU 54 5.456 -1.329 -4.268 437 2HD1 LEU 54 2HD1 LEU 54 4.681 -1.798 -5.781 438 3HD1 LEU 54 3HD1 LEU 54 4.190 -0.316 -4.962 439 1HD2 LEU 54 1HD2 LEU 54 8.051 0.484 -5.532 440 2HD2 LEU 54 2HD2 LEU 54 7.920 -1.240 -5.874 441 3HD2 LEU 54 3HD2 LEU 54 7.367 -0.604 -4.325 442 H GLN 55 HN GLN 55 5.689 -1.054 -10.389 443 HA GLN 55 HA GLN 55 5.623 1.574 -11.402 444 1HB GLN 55 HB2 GLN 55 6.415 -1.021 -12.332 445 2HB GLN 55 HB1 GLN 55 5.428 -0.258 -13.570 446 1HG GLN 55 HG2 GLN 55 7.675 0.298 -14.033 447 2HG GLN 55 HG1 GLN 55 6.911 1.749 -13.388 448 1HE2 GLN 55 1HE2 GLN 55 9.741 0.606 -13.459 449 2HE2 GLN 55 2HE2 GLN 55 10.294 0.788 -11.833 450 H GLU 56 HN GLU 56 3.294 -0.962 -11.177 451 HA GLU 56 HA GLU 56 1.452 0.113 -13.092 452 1HB GLU 56 HB2 GLU 56 1.738 -2.331 -12.065 453 2HB GLU 56 HB1 GLU 56 0.537 -1.723 -10.939 454 1HG GLU 56 HG2 GLU 56 -0.240 -1.074 -13.615 455 2HG GLU 56 HG1 GLU 56 0.122 -2.795 -13.496 456 H GLU 57 HN GLU 57 2.000 0.453 -9.626 457 HA GLU 57 HA GLU 57 -0.445 2.079 -9.492 458 1HB GLU 57 HB2 GLU 57 0.512 0.069 -7.786 459 2HB GLU 57 HB1 GLU 57 0.677 1.580 -6.898 460 1HG GLU 57 HG2 GLU 57 -1.473 1.448 -6.399 461 2HG GLU 57 HG1 GLU 57 -1.833 1.710 -8.104 462 H VAL 58 HN VAL 58 2.649 2.665 -10.085 463 HA VAL 58 HA VAL 58 2.558 5.246 -8.684 464 HB VAL 58 HB VAL 58 5.199 3.865 -9.060 465 1HG1 VAL 58 1HG1 VAL 58 4.351 6.375 -8.107 466 2HG1 VAL 58 2HG1 VAL 58 5.987 5.716 -8.128 467 3HG1 VAL 58 3HG1 VAL 58 4.960 5.481 -6.714 468 1HG2 VAL 58 1HG2 VAL 58 4.463 3.648 -6.340 469 2HG2 VAL 58 2HG2 VAL 58 4.797 2.350 -7.485 470 3HG2 VAL 58 3HG2 VAL 58 3.152 2.952 -7.289 471 H GLY 59 HN GLY 59 4.024 3.301 -11.237 472 1HA GLY 59 HA2 GLY 59 4.734 3.808 -13.342 473 2HA GLY 59 HA1 GLY 59 3.491 5.037 -13.306 474 H ILE 60 HN ILE 60 5.756 5.660 -10.869 475 HA ILE 60 HA ILE 60 7.195 7.485 -12.660 476 HB ILE 60 HB ILE 60 7.616 8.488 -10.141 477 1HG1 ILE 60 2HG1 ILE 60 4.672 8.368 -10.152 478 2HG1 ILE 60 1HG1 ILE 60 5.503 6.907 -9.642 479 1HG2 ILE 60 1HG2 ILE 60 5.843 9.257 -12.403 480 2HG2 ILE 60 2HG2 ILE 60 7.334 10.010 -11.836 481 3HG2 ILE 60 3HG2 ILE 60 5.840 10.217 -10.922 482 1HD1 ILE 60 1HD1 ILE 60 6.836 8.425 -8.082 483 2HD1 ILE 60 2HD1 ILE 60 5.158 8.080 -7.668 484 3HD1 ILE 60 3HD1 ILE 60 5.585 9.624 -8.406 485 H THR 61 HN THR 61 9.260 8.266 -11.123 486 HA THR 61 HA THR 61 10.681 5.760 -10.581 487 HB THR 61 HB THR 61 12.651 7.374 -11.057 488 HG1 THR 61 HG1 THR 61 12.072 9.301 -11.556 489 1HG2 THR 61 1HG2 THR 61 12.540 7.003 -13.454 490 2HG2 THR 61 2HG2 THR 61 10.823 6.610 -13.318 491 3HG2 THR 61 3HG2 THR 61 12.034 5.555 -12.582 492 HA PRO 62 HA PRO 62 11.030 7.990 -6.605 493 1HB PRO 62 HB2 PRO 62 9.320 6.619 -5.174 494 2HB PRO 62 HB1 PRO 62 8.699 7.551 -6.543 495 1HG PRO 62 HG2 PRO 62 9.094 4.612 -6.286 496 2HG PRO 62 HG1 PRO 62 7.878 5.506 -7.215 497 1HD PRO 62 HD2 PRO 62 10.430 4.480 -8.122 498 2HD PRO 62 HD1 PRO 62 9.175 5.310 -9.056 499 H GLN 63 HN GLN 63 12.473 7.540 -4.919 500 HA GLN 63 HA GLN 63 13.745 4.940 -4.888 501 1HB GLN 63 HB2 GLN 63 14.111 6.820 -2.603 502 2HB GLN 63 HB1 GLN 63 15.300 5.828 -3.430 503 1HG GLN 63 HG2 GLN 63 15.337 7.363 -5.295 504 2HG GLN 63 HG1 GLN 63 14.083 8.342 -4.539 505 1HE2 GLN 63 1HE2 GLN 63 15.952 9.896 -5.030 506 2HE2 GLN 63 2HE2 GLN 63 17.060 10.168 -3.732 507 H HIS 64 HN HIS 64 11.841 3.813 -4.649 508 HA HIS 64 HA HIS 64 10.630 3.870 -1.971 509 1HB HIS 64 HB2 HIS 64 8.982 4.581 -3.480 510 2HB HIS 64 HB1 HIS 64 9.560 3.518 -4.722 511 HD1 HIS 64 HD1 HIS 64 8.909 1.877 -1.473 512 HD2 HIS 64 HD2 HIS 64 6.859 2.655 -4.998 513 HE1 HIS 64 HE1 HIS 64 6.913 0.355 -1.435 514 HE2 HIS 64 HE2 HIS 64 5.628 0.923 -3.526 515 H PHE 65 HN PHE 65 10.741 2.093 -0.789 516 HA PHE 65 HA PHE 65 10.621 -0.541 -1.757 517 1HB PHE 65 HB2 PHE 65 13.000 0.476 -2.393 518 2HB PHE 65 HB1 PHE 65 13.360 0.021 -0.737 519 HD1 PHE 65 HD1 PHE 65 14.577 -1.927 -0.657 520 HD2 PHE 65 HD2 PHE 65 11.439 -1.574 -3.509 521 HE1 PHE 65 HE1 PHE 65 14.999 -4.234 -1.401 522 HE2 PHE 65 HE2 PHE 65 11.856 -3.880 -4.256 523 HZ PHE 65 HZ PHE 65 13.635 -5.213 -3.206 524 H SER 66 HN SER 66 12.647 -1.338 0.385 525 HA SER 66 HA SER 66 12.639 -1.993 2.540 526 1HB SER 66 HB2 SER 66 12.006 0.858 2.542 527 2HB SER 66 HB1 SER 66 11.438 0.024 3.987 528 HG SER 66 HG SER 66 14.047 0.380 3.038 529 H LEU 67 HN LEU 67 11.350 -2.641 4.367 530 HA LEU 67 HA LEU 67 8.500 -2.945 3.706 531 1HB LEU 67 HB2 LEU 67 9.590 -5.066 3.386 532 2HB LEU 67 HB1 LEU 67 10.389 -4.943 4.942 533 HG LEU 67 HG LEU 67 7.439 -4.870 5.030 534 1HD1 LEU 67 1HD1 LEU 67 8.108 -6.577 3.232 535 2HD1 LEU 67 2HD1 LEU 67 7.042 -7.108 4.533 536 3HD1 LEU 67 3HD1 LEU 67 8.757 -7.521 4.573 537 1HD2 LEU 67 1HD2 LEU 67 9.444 -5.135 6.849 538 2HD2 LEU 67 2HD2 LEU 67 8.967 -6.815 6.604 539 3HD2 LEU 67 3HD2 LEU 67 7.771 -5.624 7.116 540 H PHE 68 HN PHE 68 7.340 -1.776 5.090 541 HA PHE 68 HA PHE 68 8.365 -0.999 7.652 542 1HB PHE 68 HB2 PHE 68 7.010 0.703 7.029 543 2HB PHE 68 HB1 PHE 68 6.067 -0.321 5.953 544 HD1 PHE 68 HD1 PHE 68 6.181 1.350 9.122 545 HD2 PHE 68 HD2 PHE 68 4.253 -1.757 6.951 546 HE1 PHE 68 HE1 PHE 68 4.314 1.392 10.723 547 HE2 PHE 68 HE2 PHE 68 2.383 -1.725 8.543 548 HZ PHE 68 HZ PHE 68 2.409 -0.144 10.436 549 H GLU 69 HN GLU 69 5.728 -3.069 6.515 550 HA GLU 69 HA GLU 69 6.050 -4.960 8.590 551 1HB GLU 69 HB2 GLU 69 4.770 -2.801 9.559 552 2HB GLU 69 HB1 GLU 69 3.394 -3.666 8.888 553 1HG GLU 69 HG2 GLU 69 3.866 -5.585 10.248 554 2HG GLU 69 HG1 GLU 69 5.363 -4.854 10.827 555 H LYS 70 HN LYS 70 4.246 -6.612 8.527 556 HA LYS 70 HA LYS 70 2.727 -6.567 6.035 557 1HB LYS 70 HB2 LYS 70 3.474 -8.890 5.496 558 2HB LYS 70 HB1 LYS 70 4.744 -7.681 5.356 559 1HG LYS 70 HG2 LYS 70 4.471 -9.143 7.928 560 2HG LYS 70 HG1 LYS 70 5.164 -9.988 6.542 561 1HD LYS 70 HD2 LYS 70 6.549 -7.703 6.388 562 2HD LYS 70 HD1 LYS 70 6.237 -7.729 8.126 563 1HE LYS 70 HE2 LYS 70 8.227 -8.884 7.995 564 2HE LYS 70 HE1 LYS 70 7.051 -10.197 7.955 565 1HZ LYS 70 HZ1 LYS 70 8.703 -9.122 5.771 566 2HZ LYS 70 HZ2 LYS 70 7.233 -9.878 5.410 567 3HZ LYS 70 HZ3 LYS 70 8.444 -10.731 6.226 568 H LEU 71 HN LEU 71 0.746 -7.425 6.251 569 HA LEU 71 HA LEU 71 0.179 -8.928 8.718 570 1HB LEU 71 HB2 LEU 71 -0.954 -6.828 8.765 571 2HB LEU 71 HB1 LEU 71 -1.534 -7.032 7.124 572 HG LEU 71 HG LEU 71 -2.830 -9.059 8.035 573 1HD1 LEU 71 1HD1 LEU 71 -3.153 -9.309 10.295 574 2HD1 LEU 71 2HD1 LEU 71 -2.699 -7.644 10.655 575 3HD1 LEU 71 3HD1 LEU 71 -1.458 -8.827 10.248 576 1HD2 LEU 71 1HD2 LEU 71 -4.662 -7.745 8.123 577 2HD2 LEU 71 2HD2 LEU 71 -3.535 -6.508 7.567 578 3HD2 LEU 71 3HD2 LEU 71 -3.940 -6.627 9.280 579 H GLU 72 HN GLU 72 -0.311 -10.992 8.436 580 HA GLU 72 HA GLU 72 -1.478 -11.824 5.867 581 1HB GLU 72 HB2 GLU 72 0.660 -12.782 5.894 582 2HB GLU 72 HB1 GLU 72 0.591 -13.117 7.619 583 1HG GLU 72 HG2 GLU 72 -0.878 -14.939 7.297 584 2HG GLU 72 HG1 GLU 72 -1.157 -14.505 5.612 585 H TYR 73 HN TYR 73 -3.569 -12.218 6.165 586 HA TYR 73 HA TYR 73 -4.362 -13.996 8.349 587 1HB TYR 73 HB2 TYR 73 -4.814 -11.717 9.152 588 2HB TYR 73 HB1 TYR 73 -5.764 -11.390 7.705 589 HD1 TYR 73 HD1 TYR 73 -8.006 -11.246 8.209 590 HD2 TYR 73 HD2 TYR 73 -5.665 -14.218 10.155 591 HE1 TYR 73 HE1 TYR 73 -10.022 -12.084 9.342 592 HE2 TYR 73 HE2 TYR 73 -7.674 -15.065 11.293 593 HH TYR 73 HH TYR 73 -9.877 -14.338 11.925 594 H GLU 74 HN GLU 74 -6.158 -15.286 7.897 595 HA GLU 74 HA GLU 74 -7.139 -15.119 5.125 596 1HB GLU 74 HB2 GLU 74 -7.434 -17.654 5.339 597 2HB GLU 74 HB1 GLU 74 -5.801 -17.041 5.121 598 1HG GLU 74 HG2 GLU 74 -5.752 -17.110 7.733 599 2HG GLU 74 HG1 GLU 74 -7.069 -18.260 7.522 600 H PHE 75 HN PHE 75 -9.203 -14.724 4.972 601 HA PHE 75 HA PHE 75 -10.968 -14.749 7.196 602 1HB PHE 75 HB2 PHE 75 -11.005 -13.860 4.434 603 2HB PHE 75 HB1 PHE 75 -12.528 -14.617 4.880 604 HD1 PHE 75 HD1 PHE 75 -10.094 -12.323 6.538 605 HD2 PHE 75 HD2 PHE 75 -14.142 -13.118 5.498 606 HE1 PHE 75 HE1 PHE 75 -10.785 -10.243 7.658 607 HE2 PHE 75 HE2 PHE 75 -14.841 -11.040 6.614 608 HZ PHE 75 HZ PHE 75 -13.162 -9.600 7.696 609 HA PRO 76 HA PRO 76 -12.844 -18.727 7.294 610 1HB PRO 76 HB2 PRO 76 -15.516 -18.121 6.702 611 2HB PRO 76 HB1 PRO 76 -14.782 -18.130 8.307 612 1HG PRO 76 HG2 PRO 76 -15.312 -15.841 6.476 613 2HG PRO 76 HG1 PRO 76 -15.395 -15.910 8.246 614 1HD PRO 76 HD2 PRO 76 -13.341 -14.740 6.988 615 2HD PRO 76 HD1 PRO 76 -13.096 -15.662 8.484 616 H ASP 77 HN ASP 77 -11.691 -19.288 5.370 617 HA ASP 77 HA ASP 77 -11.840 -20.701 3.523 618 1HB ASP 77 HB2 ASP 77 -14.396 -19.298 2.730 619 2HB ASP 77 HB1 ASP 77 -13.740 -20.786 2.059 620 H ARG 78 HN ARG 78 -11.022 -17.752 3.927 621 HA ARG 78 HA ARG 78 -10.271 -17.334 1.127 622 1HB ARG 78 HB2 ARG 78 -12.252 -15.854 2.004 623 2HB ARG 78 HB1 ARG 78 -10.974 -14.965 2.821 624 1HG ARG 78 HG2 ARG 78 -9.862 -14.845 0.507 625 2HG ARG 78 HG1 ARG 78 -11.449 -15.300 -0.113 626 1HD ARG 78 HD2 ARG 78 -11.048 -12.989 1.765 627 2HD ARG 78 HD1 ARG 78 -10.938 -12.815 0.015 628 HE ARG 78 HE ARG 78 -13.364 -14.079 0.860 629 1HH1 ARG 78 1HH1 ARG 78 -11.790 -11.000 0.388 630 2HH1 ARG 78 2HH1 ARG 78 -13.274 -10.132 0.178 631 1HH2 ARG 78 1HH2 ARG 78 -15.318 -12.939 0.585 632 2HH2 ARG 78 2HH2 ARG 78 -15.276 -11.232 0.291 633 H HIS 79 HN HIS 79 -8.285 -16.231 0.836 634 HA HIS 79 HA HIS 79 -6.681 -15.923 3.287 635 1HB HIS 79 HB2 HIS 79 -6.224 -17.969 1.718 636 2HB HIS 79 HB1 HIS 79 -5.426 -16.774 0.700 637 HD1 HIS 79 HD1 HIS 79 -3.653 -18.901 1.769 638 HD2 HIS 79 HD2 HIS 79 -4.462 -15.431 3.906 639 HE1 HIS 79 HE1 HIS 79 -1.747 -18.652 3.392 640 HE2 HIS 79 HE2 HIS 79 -2.302 -16.591 4.732 641 H ILE 80 HN ILE 80 -6.845 -13.703 3.396 642 HA ILE 80 HA ILE 80 -6.024 -12.145 1.064 643 HB ILE 80 HB ILE 80 -8.036 -11.303 1.986 644 1HG1 ILE 80 2HG1 ILE 80 -6.142 -9.462 3.365 645 2HG1 ILE 80 1HG1 ILE 80 -5.952 -9.709 1.633 646 1HG2 ILE 80 1HG2 ILE 80 -8.155 -10.623 4.418 647 2HG2 ILE 80 2HG2 ILE 80 -6.676 -11.554 4.656 648 3HG2 ILE 80 3HG2 ILE 80 -8.143 -12.357 4.096 649 1HD1 ILE 80 1HD1 ILE 80 -8.345 -8.616 3.081 650 2HD1 ILE 80 2HD1 ILE 80 -8.364 -9.078 1.380 651 3HD1 ILE 80 3HD1 ILE 80 -7.299 -7.785 1.931 652 H THR 81 HN THR 81 -3.966 -11.563 0.910 653 HA THR 81 HA THR 81 -2.374 -11.306 3.374 654 HB THR 81 HB THR 81 -0.937 -11.474 0.809 655 HG1 THR 81 HG1 THR 81 -2.464 -12.963 0.273 656 1HG2 THR 81 1HG2 THR 81 0.063 -11.643 3.131 657 2HG2 THR 81 2HG2 THR 81 0.544 -12.866 1.955 658 3HG2 THR 81 3HG2 THR 81 -0.645 -13.256 3.197 659 H LEU 82 HN LEU 82 -1.619 -9.352 3.910 660 HA LEU 82 HA LEU 82 -1.484 -7.290 1.810 661 1HB LEU 82 HB2 LEU 82 -2.794 -7.227 4.473 662 2HB LEU 82 HB1 LEU 82 -1.967 -5.769 3.955 663 HG LEU 82 HG LEU 82 -3.944 -7.079 2.129 664 1HD1 LEU 82 1HD1 LEU 82 -5.548 -6.824 3.659 665 2HD1 LEU 82 2HD1 LEU 82 -5.376 -5.095 3.357 666 3HD1 LEU 82 3HD1 LEU 82 -4.523 -5.844 4.707 667 1HD2 LEU 82 1HD2 LEU 82 -2.794 -5.360 1.062 668 2HD2 LEU 82 2HD2 LEU 82 -2.776 -4.346 2.504 669 3HD2 LEU 82 3HD2 LEU 82 -4.278 -4.582 1.610 670 H TRP 83 HN TRP 83 0.567 -6.718 1.504 671 HA TRP 83 HA TRP 83 2.408 -6.799 3.798 672 1HB TRP 83 HB2 TRP 83 3.454 -6.444 1.033 673 2HB TRP 83 HB1 TRP 83 4.149 -7.315 2.389 674 HD1 TRP 83 HD1 TRP 83 1.195 -9.078 2.555 675 HE1 TRP 83 HE1 TRP 83 1.051 -11.085 0.961 676 HE3 TRP 83 HE3 TRP 83 4.901 -7.780 -0.715 677 HZ2 TRP 83 HZ2 TRP 83 2.339 -12.005 -1.372 678 HZ3 TRP 83 HZ3 TRP 83 5.384 -9.283 -2.600 679 HH2 TRP 83 HH2 TRP 83 4.129 -11.351 -2.922 680 H PHE 84 HN PHE 84 3.043 -4.919 4.659 681 HA PHE 84 HA PHE 84 2.568 -2.463 3.133 682 1HB PHE 84 HB2 PHE 84 2.860 -3.023 6.074 683 2HB PHE 84 HB1 PHE 84 3.048 -1.392 5.447 684 HD1 PHE 84 HD1 PHE 84 0.675 -3.615 3.815 685 HD2 PHE 84 HD2 PHE 84 1.158 -0.665 6.853 686 HE1 PHE 84 HE1 PHE 84 -1.761 -3.310 3.904 687 HE2 PHE 84 HE2 PHE 84 -1.277 -0.359 6.941 688 HZ PHE 84 HZ PHE 84 -2.740 -1.681 5.467 689 H TRP 85 HN TRP 85 4.230 -1.612 2.082 690 HA TRP 85 HA TRP 85 6.959 -2.166 2.995 691 1HB TRP 85 HB2 TRP 85 5.880 -1.215 0.342 692 2HB TRP 85 HB1 TRP 85 7.600 -1.313 0.709 693 HD1 TRP 85 HD1 TRP 85 4.621 -3.797 1.049 694 HE1 TRP 85 HE1 TRP 85 5.402 -6.082 0.163 695 HE3 TRP 85 HE3 TRP 85 9.412 -2.573 -0.249 696 HZ2 TRP 85 HZ2 TRP 85 7.739 -7.217 -0.942 697 HZ3 TRP 85 HZ3 TRP 85 10.855 -4.315 -1.213 698 HH2 TRP 85 HH2 TRP 85 10.035 -6.591 -1.552 699 H LEU 86 HN LEU 86 8.527 -0.497 3.228 700 HA LEU 86 HA LEU 86 7.294 2.099 3.836 701 1HB LEU 86 HB2 LEU 86 8.528 0.814 5.605 702 2HB LEU 86 HB1 LEU 86 9.999 1.119 4.705 703 HG LEU 86 HG LEU 86 9.609 2.658 6.642 704 1HD1 LEU 86 1HD1 LEU 86 9.629 4.204 4.076 705 2HD1 LEU 86 2HD1 LEU 86 10.977 3.164 4.534 706 3HD1 LEU 86 3HD1 LEU 86 10.515 4.516 5.568 707 1HD2 LEU 86 1HD2 LEU 86 7.689 4.242 5.057 708 2HD2 LEU 86 2HD2 LEU 86 7.820 4.027 6.803 709 3HD2 LEU 86 3HD2 LEU 86 7.056 2.782 5.816 710 H VAL 87 HN VAL 87 7.351 3.342 2.118 711 HA VAL 87 HA VAL 87 9.543 3.449 0.242 712 HB VAL 87 HB VAL 87 7.213 5.315 0.488 713 1HG1 VAL 87 1HG1 VAL 87 7.743 5.121 -2.149 714 2HG1 VAL 87 2HG1 VAL 87 9.359 4.940 -1.469 715 3HG1 VAL 87 3HG1 VAL 87 8.401 6.368 -1.091 716 1HG2 VAL 87 1HG2 VAL 87 6.701 3.494 -1.566 717 2HG2 VAL 87 2HG2 VAL 87 5.897 3.571 0.001 718 3HG2 VAL 87 3HG2 VAL 87 7.295 2.514 -0.223 719 H GLU 88 HN GLU 88 10.978 5.192 -0.077 720 HA GLU 88 HA GLU 88 10.944 7.086 2.181 721 1HB GLU 88 HB2 GLU 88 13.440 7.181 1.980 722 2HB GLU 88 HB1 GLU 88 12.792 5.639 2.521 723 1HG GLU 88 HG2 GLU 88 13.435 6.131 -0.360 724 2HG GLU 88 HG1 GLU 88 14.675 5.635 0.790 725 H ARG 89 HN ARG 89 10.895 6.942 -1.250 726 HA ARG 89 HA ARG 89 10.853 9.803 -1.361 727 1HB ARG 89 HB2 ARG 89 13.220 9.660 -1.349 728 2HB ARG 89 HB1 ARG 89 13.218 8.314 -2.474 729 1HG ARG 89 HG2 ARG 89 13.940 10.194 -3.686 730 2HG ARG 89 HG1 ARG 89 12.280 9.891 -4.195 731 1HD ARG 89 HD2 ARG 89 12.381 12.209 -3.876 732 2HD ARG 89 HD1 ARG 89 11.612 11.597 -2.412 733 HE ARG 89 HE ARG 89 13.360 12.444 -1.229 734 1HH1 ARG 89 1HH1 ARG 89 14.422 11.942 -4.515 735 2HH1 ARG 89 2HH1 ARG 89 15.988 12.630 -4.246 736 1HH2 ARG 89 1HH2 ARG 89 15.418 13.348 -0.873 737 2HH2 ARG 89 2HH2 ARG 89 16.555 13.429 -2.178 738 H TRP 90 HN TRP 90 10.229 10.639 -3.436 739 HA TRP 90 HA TRP 90 9.732 8.825 -5.575 740 1HB TRP 90 HB2 TRP 90 7.488 8.502 -5.468 741 2HB TRP 90 HB1 TRP 90 7.795 8.704 -3.753 742 HD1 TRP 90 HD1 TRP 90 6.808 11.032 -6.717 743 HE1 TRP 90 HE1 TRP 90 5.037 12.684 -5.845 744 HE3 TRP 90 HE3 TRP 90 6.630 9.533 -1.831 745 HZ2 TRP 90 HZ2 TRP 90 3.731 13.266 -3.417 746 HZ3 TRP 90 HZ3 TRP 90 5.084 10.686 -0.303 747 HH2 TRP 90 HH2 TRP 90 3.667 12.514 -1.080 748 H GLU 91 HN GLU 91 10.162 9.856 -7.382 749 HA GLU 91 HA GLU 91 10.327 12.727 -7.408 750 1HB GLU 91 HB2 GLU 91 11.651 10.773 -8.742 751 2HB GLU 91 HB1 GLU 91 10.491 11.261 -9.970 752 1HG GLU 91 HG2 GLU 91 12.240 13.225 -8.524 753 2HG GLU 91 HG1 GLU 91 12.738 12.412 -10.007 754 H GLY 92 HN GLY 92 9.076 14.177 -8.569 755 1HA GLY 92 HA2 GLY 92 7.156 15.022 -9.500 756 2HA GLY 92 HA1 GLY 92 7.057 13.514 -10.397 757 H GLU 93 HN GLU 93 5.136 12.598 -10.155 758 HA GLU 93 HA GLU 93 3.994 12.449 -7.458 759 1HB GLU 93 HB2 GLU 93 2.690 13.490 -9.941 760 2HB GLU 93 HB1 GLU 93 1.712 12.678 -8.727 761 1HG GLU 93 HG2 GLU 93 2.651 14.297 -7.048 762 2HG GLU 93 HG1 GLU 93 3.338 15.182 -8.409 763 HA PRO 94 HA PRO 94 3.461 8.186 -8.601 764 1HB PRO 94 HB2 PRO 94 1.522 7.845 -6.481 765 2HB PRO 94 HB1 PRO 94 3.199 7.299 -6.533 766 1HG PRO 94 HG2 PRO 94 2.302 9.252 -4.852 767 2HG PRO 94 HG1 PRO 94 3.971 9.153 -5.439 768 1HD PRO 94 HD2 PRO 94 1.724 10.886 -6.399 769 2HD PRO 94 HD1 PRO 94 3.438 11.289 -6.163 770 H TRP 95 HN TRP 95 2.215 7.327 -10.158 771 HA TRP 95 HA TRP 95 -0.628 8.041 -10.126 772 1HB TRP 95 HB2 TRP 95 -0.551 8.087 -12.639 773 2HB TRP 95 HB1 TRP 95 0.283 9.409 -11.837 774 HD1 TRP 95 HD1 TRP 95 2.921 9.545 -12.130 775 HE1 TRP 95 HE1 TRP 95 4.541 8.486 -13.838 776 HE3 TRP 95 HE3 TRP 95 -0.104 5.836 -13.893 777 HZ2 TRP 95 HZ2 TRP 95 4.506 6.367 -15.707 778 HZ3 TRP 95 HZ3 TRP 95 0.754 4.340 -15.646 779 HH2 TRP 95 HH2 TRP 95 3.017 4.593 -16.524 780 H GLY 96 HN GLY 96 1.615 5.878 -11.857 781 1HA GLY 96 HA2 GLY 96 1.289 3.725 -12.631 782 2HA GLY 96 HA1 GLY 96 0.723 3.451 -10.995 783 H LYS 97 HN LYS 97 -1.445 3.227 -10.588 784 HA LYS 97 HA LYS 97 -3.572 3.938 -12.210 785 1HB LYS 97 HB2 LYS 97 -2.160 1.968 -13.497 786 2HB LYS 97 HB1 LYS 97 -3.384 1.038 -12.646 787 1HG LYS 97 HG2 LYS 97 -5.102 1.916 -13.862 788 2HG LYS 97 HG1 LYS 97 -4.255 3.433 -14.171 789 1HD LYS 97 HD2 LYS 97 -4.461 2.113 -16.214 790 2HD LYS 97 HD1 LYS 97 -2.769 2.286 -15.741 791 1HE LYS 97 HE2 LYS 97 -3.955 -0.064 -14.549 792 2HE LYS 97 HE1 LYS 97 -4.134 -0.082 -16.303 793 1HZ LYS 97 HZ1 LYS 97 -1.705 -0.188 -14.680 794 2HZ LYS 97 HZ2 LYS 97 -1.615 0.620 -16.164 795 3HZ LYS 97 HZ3 LYS 97 -2.085 -1.004 -16.113 796 H GLU 98 HN GLU 98 -2.901 3.682 -9.439 797 HA GLU 98 HA GLU 98 -4.012 1.493 -8.127 798 1HB GLU 98 HB2 GLU 98 -4.453 3.198 -6.257 799 2HB GLU 98 HB1 GLU 98 -2.792 2.984 -6.790 800 1HG GLU 98 HG2 GLU 98 -2.836 5.011 -8.024 801 2HG GLU 98 HG1 GLU 98 -4.578 5.177 -7.806 802 H GLY 99 HN GLY 99 -5.560 4.385 -9.436 803 1HA GLY 99 HA2 GLY 99 -7.777 4.358 -10.284 804 2HA GLY 99 HA1 GLY 99 -8.138 3.006 -9.225 805 H GLN 100 HN GLN 100 -6.496 5.179 -7.359 806 HA GLN 100 HA GLN 100 -8.858 6.787 -6.721 807 1HB GLN 100 HB2 GLN 100 -8.886 4.760 -5.279 808 2HB GLN 100 HB1 GLN 100 -7.318 5.230 -4.641 809 1HG GLN 100 HG2 GLN 100 -8.252 7.232 -3.687 810 2HG GLN 100 HG1 GLN 100 -9.815 6.897 -4.434 811 1HE2 GLN 100 1HE2 GLN 100 -8.937 7.198 -1.598 812 2HE2 GLN 100 2HE2 GLN 100 -9.514 5.777 -0.802 813 HA PRO 101 HA PRO 101 -5.408 9.734 -7.178 814 1HB PRO 101 HB2 PRO 101 -7.816 11.296 -6.310 815 2HB PRO 101 HB1 PRO 101 -6.575 11.731 -7.494 816 1HG PRO 101 HG2 PRO 101 -8.908 10.829 -8.329 817 2HG PRO 101 HG1 PRO 101 -7.417 10.244 -9.092 818 1HD PRO 101 HD2 PRO 101 -9.227 8.867 -7.170 819 2HD PRO 101 HD1 PRO 101 -8.258 8.190 -8.494 820 H GLY 102 HN GLY 102 -4.087 10.656 -5.672 821 1HA GLY 102 HA2 GLY 102 -5.066 10.828 -2.898 822 2HA GLY 102 HA1 GLY 102 -3.551 10.013 -3.253 823 H GLU 103 HN GLU 103 -3.259 11.888 -1.493 824 HA GLU 103 HA GLU 103 -1.873 14.025 -2.928 825 1HB GLU 103 HB2 GLU 103 -4.264 14.684 -2.070 826 2HB GLU 103 HB1 GLU 103 -3.474 14.756 -0.501 827 1HG GLU 103 HG2 GLU 103 -1.934 16.426 -1.303 828 2HG GLU 103 HG1 GLU 103 -2.594 16.294 -2.933 829 H TRP 104 HN TRP 104 -0.234 15.103 -1.588 830 HA TRP 104 HA TRP 104 1.076 13.210 0.127 831 1HB TRP 104 HB2 TRP 104 2.128 15.949 0.248 832 2HB TRP 104 HB1 TRP 104 2.944 14.456 -0.198 833 HD1 TRP 104 HD1 TRP 104 1.608 13.652 -2.847 834 HE1 TRP 104 HE1 TRP 104 1.781 15.127 -4.949 835 HE3 TRP 104 HE3 TRP 104 2.682 18.126 -0.617 836 HZ2 TRP 104 HZ2 TRP 104 2.303 17.828 -5.580 837 HZ3 TRP 104 HZ3 TRP 104 3.003 20.106 -2.041 838 HH2 TRP 104 HH2 TRP 104 2.817 19.959 -4.472 839 H MET 105 HN MET 105 0.228 12.834 2.066 840 HA MET 105 HA MET 105 -0.423 15.148 3.768 841 1HB MET 105 HB2 MET 105 -1.910 13.358 4.978 842 2HB MET 105 HB1 MET 105 -2.506 14.192 3.551 843 1HG MET 105 HG2 MET 105 -1.661 12.216 2.214 844 2HG MET 105 HG1 MET 105 -1.448 11.393 3.758 845 1HE MET 105 HE1 MET 105 -3.134 11.623 5.523 846 2HE MET 105 HE2 MET 105 -4.282 10.347 5.120 847 3HE MET 105 HE3 MET 105 -4.842 12.008 5.314 848 H SER 106 HN SER 106 -0.190 14.707 6.128 849 HA SER 106 HA SER 106 2.367 13.482 6.617 850 1HB SER 106 HB2 SER 106 1.471 14.102 9.098 851 2HB SER 106 HB1 SER 106 2.239 15.269 8.022 852 HG SER 106 HG SER 106 0.352 16.196 7.647 853 H LEU 107 HN LEU 107 2.593 11.362 6.905 854 HA LEU 107 HA LEU 107 0.409 9.640 7.493 855 1HB LEU 107 HB2 LEU 107 2.661 9.183 6.236 856 2HB LEU 107 HB1 LEU 107 3.254 8.788 7.837 857 HG LEU 107 HG LEU 107 1.632 7.014 8.066 858 1HD1 LEU 107 1HD1 LEU 107 -0.337 7.408 7.061 859 2HD1 LEU 107 2HD1 LEU 107 0.406 6.592 5.686 860 3HD1 LEU 107 3HD1 LEU 107 0.394 8.353 5.766 861 1HD2 LEU 107 1HD2 LEU 107 2.277 5.655 5.971 862 2HD2 LEU 107 2HD2 LEU 107 3.557 6.196 7.057 863 3HD2 LEU 107 3HD2 LEU 107 3.254 7.061 5.551 864 H VAL 108 HN VAL 108 2.556 11.437 9.464 865 HA VAL 108 HA VAL 108 2.805 9.888 11.743 866 HB VAL 108 HB VAL 108 3.934 12.047 11.458 867 1HG1 VAL 108 1HG1 VAL 108 1.177 13.010 11.291 868 2HG1 VAL 108 2HG1 VAL 108 2.665 13.706 10.649 869 3HG1 VAL 108 3HG1 VAL 108 2.217 13.982 12.332 870 1HG2 VAL 108 1HG2 VAL 108 3.696 12.856 13.754 871 2HG2 VAL 108 2HG2 VAL 108 3.737 11.093 13.695 872 3HG2 VAL 108 3HG2 VAL 108 2.203 11.932 13.927 873 H GLY 109 HN GLY 109 -0.041 11.270 10.409 874 1HA GLY 109 HA2 GLY 109 -1.527 10.471 12.821 875 2HA GLY 109 HA1 GLY 109 -1.890 11.980 11.998 876 H LEU 110 HN LEU 110 -1.214 8.703 10.819 877 HA LEU 110 HA LEU 110 -3.094 8.807 8.735 878 1HB LEU 110 HB2 LEU 110 -1.174 7.249 8.832 879 2HB LEU 110 HB1 LEU 110 -1.976 6.369 10.120 880 HG LEU 110 HG LEU 110 -3.483 6.696 7.586 881 1HD1 LEU 110 1HD1 LEU 110 -0.900 5.260 7.817 882 2HD1 LEU 110 2HD1 LEU 110 -1.641 6.045 6.423 883 3HD1 LEU 110 3HD1 LEU 110 -2.209 4.460 6.947 884 1HD2 LEU 110 1HD2 LEU 110 -3.419 4.971 9.929 885 2HD2 LEU 110 2HD2 LEU 110 -3.563 4.077 8.416 886 3HD2 LEU 110 3HD2 LEU 110 -4.741 5.325 8.817 887 H ASN 111 HN ASN 111 -5.129 7.789 8.495 888 HA ASN 111 HA ASN 111 -6.574 7.522 11.033 889 1HB ASN 111 HB2 ASN 111 -7.130 9.160 8.949 890 2HB ASN 111 HB1 ASN 111 -8.134 7.770 8.550 891 1HD2 ASN 111 1HD2 ASN 111 -8.912 10.453 9.352 892 2HD2 ASN 111 2HD2 ASN 111 -9.880 10.271 10.772 893 H ALA 112 HN ALA 112 -6.635 5.455 11.639 894 HA ALA 112 HA ALA 112 -6.838 3.276 9.794 895 1HB ALA 112 HB1 ALA 112 -7.293 3.298 12.780 896 2HB ALA 112 HB2 ALA 112 -5.745 3.026 11.980 897 3HB ALA 112 HB3 ALA 112 -7.062 1.869 11.772 898 H ASP 113 HN ASP 113 -9.057 5.429 11.266 899 HA ASP 113 HA ASP 113 -11.349 3.697 11.161 900 1HB ASP 113 HB2 ASP 113 -11.072 5.622 12.773 901 2HB ASP 113 HB1 ASP 113 -11.324 6.709 11.411 902 H ASP 114 HN ASP 114 -10.067 6.372 9.229 903 HA ASP 114 HA ASP 114 -12.227 6.326 7.353 904 1HB ASP 114 HB2 ASP 114 -10.000 8.010 7.929 905 2HB ASP 114 HB1 ASP 114 -9.999 7.632 6.212 906 H PHE 115 HN PHE 115 -9.764 4.176 7.793 907 HA PHE 115 HA PHE 115 -9.692 3.526 4.924 908 1HB PHE 115 HB2 PHE 115 -7.461 3.135 5.011 909 2HB PHE 115 HB1 PHE 115 -7.529 4.184 6.420 910 HD1 PHE 115 HD1 PHE 115 -5.684 1.738 5.460 911 HD2 PHE 115 HD2 PHE 115 -8.695 2.315 8.392 912 HE1 PHE 115 HE1 PHE 115 -4.671 -0.026 6.835 913 HE2 PHE 115 HE2 PHE 115 -7.695 0.550 9.783 914 HZ PHE 115 HZ PHE 115 -5.675 -0.617 9.003 915 HA PRO 116 HA PRO 116 -11.411 -0.472 5.481 916 1HB PRO 116 HB2 PRO 116 -9.330 -2.247 4.909 917 2HB PRO 116 HB1 PRO 116 -10.443 -1.543 3.735 918 1HG PRO 116 HG2 PRO 116 -7.673 -0.713 4.459 919 2HG PRO 116 HG1 PRO 116 -8.477 -0.695 2.879 920 1HD PRO 116 HD2 PRO 116 -8.115 1.552 4.284 921 2HD PRO 116 HD1 PRO 116 -9.588 1.293 3.329 922 HA PRO 117 HA PRO 117 -10.256 -1.377 9.716 923 1HB PRO 117 HB2 PRO 117 -12.240 -3.172 10.209 924 2HB PRO 117 HB1 PRO 117 -12.497 -1.424 10.206 925 1HG PRO 117 HG2 PRO 117 -13.056 -3.425 8.050 926 2HG PRO 117 HG1 PRO 117 -14.058 -2.070 8.606 927 1HD PRO 117 HD2 PRO 117 -12.556 -1.923 6.369 928 2HD PRO 117 HD1 PRO 117 -12.839 -0.514 7.412 929 H ALA 118 HN ALA 118 -10.532 -3.663 7.118 930 HA ALA 118 HA ALA 118 -9.699 -5.983 8.498 931 1HB ALA 118 HB1 ALA 118 -10.793 -5.833 6.205 932 2HB ALA 118 HB2 ALA 118 -9.489 -7.004 6.396 933 3HB ALA 118 HB3 ALA 118 -9.182 -5.467 5.588 934 H ASN 119 HN ASN 119 -8.019 -3.174 7.720 935 HA ASN 119 HA ASN 119 -5.433 -4.566 7.891 936 1HB ASN 119 HB2 ASN 119 -6.413 -2.533 6.119 937 2HB ASN 119 HB1 ASN 119 -5.057 -1.894 7.040 938 1HD2 ASN 119 1HD2 ASN 119 -5.220 -2.508 4.218 939 2HD2 ASN 119 2HD2 ASN 119 -3.979 -3.666 3.899 940 H GLU 120 HN GLU 120 -7.570 -2.821 9.718 941 HA GLU 120 HA GLU 120 -6.200 -0.822 10.976 942 1HB GLU 120 HB2 GLU 120 -8.181 -0.791 11.997 943 2HB GLU 120 HB1 GLU 120 -8.495 -2.459 11.562 944 1HG GLU 120 HG2 GLU 120 -8.652 -2.275 13.922 945 2HG GLU 120 HG1 GLU 120 -7.169 -3.155 13.557 946 HA PRO 121 HA PRO 121 -4.437 -4.324 14.104 947 1HB PRO 121 HB2 PRO 121 -3.814 -6.098 11.774 948 2HB PRO 121 HB1 PRO 121 -4.136 -6.533 13.459 949 1HG PRO 121 HG2 PRO 121 -6.021 -6.835 11.609 950 2HG PRO 121 HG1 PRO 121 -6.431 -6.247 13.231 951 1HD PRO 121 HD2 PRO 121 -6.282 -4.763 10.662 952 2HD PRO 121 HD1 PRO 121 -7.309 -4.470 12.078 953 H VAL 122 HN VAL 122 -3.429 -3.695 10.786 954 HA VAL 122 HA VAL 122 -0.622 -3.683 11.385 955 HB VAL 122 HB VAL 122 -1.862 -2.430 8.950 956 1HG1 VAL 122 1HG1 VAL 122 0.774 -3.738 9.565 957 2HG1 VAL 122 2HG1 VAL 122 0.469 -2.075 9.066 958 3HG1 VAL 122 3HG1 VAL 122 0.238 -3.395 7.920 959 1HG2 VAL 122 1HG2 VAL 122 -2.900 -4.388 8.580 960 2HG2 VAL 122 2HG2 VAL 122 -1.901 -5.256 9.745 961 3HG2 VAL 122 3HG2 VAL 122 -1.292 -4.947 8.119 962 H ILE 123 HN ILE 123 -3.026 -1.203 10.547 963 HA ILE 123 HA ILE 123 -1.301 1.005 10.870 964 HB ILE 123 HB ILE 123 -4.314 0.859 11.047 965 1HG1 ILE 123 2HG1 ILE 123 -3.355 0.197 8.866 966 2HG1 ILE 123 1HG1 ILE 123 -4.267 1.700 8.764 967 1HG2 ILE 123 1HG2 ILE 123 -4.204 3.307 10.577 968 2HG2 ILE 123 2HG2 ILE 123 -2.471 3.232 10.895 969 3HG2 ILE 123 3HG2 ILE 123 -3.623 2.842 12.174 970 1HD1 ILE 123 1HD1 ILE 123 -1.383 1.211 8.415 971 2HD1 ILE 123 2HD1 ILE 123 -1.855 2.723 9.192 972 3HD1 ILE 123 3HD1 ILE 123 -2.461 2.330 7.584 973 H ALA 124 HN ALA 124 -3.323 -0.784 13.112 974 HA ALA 124 HA ALA 124 -3.442 0.996 15.235 975 1HB ALA 124 HB1 ALA 124 -3.619 -1.939 14.945 976 2HB ALA 124 HB2 ALA 124 -4.736 -0.801 15.698 977 3HB ALA 124 HB3 ALA 124 -3.294 -1.326 16.567 978 H LYS 125 HN LYS 125 -0.779 -0.895 14.056 979 HA LYS 125 HA LYS 125 0.812 -0.643 16.439 980 1HB LYS 125 HB2 LYS 125 1.039 -2.510 14.790 981 2HB LYS 125 HB1 LYS 125 1.719 -1.359 13.649 982 1HG LYS 125 HG2 LYS 125 3.670 -2.073 14.491 983 2HG LYS 125 HG1 LYS 125 3.313 -0.918 15.775 984 1HD LYS 125 HD2 LYS 125 2.425 -2.641 17.174 985 2HD LYS 125 HD1 LYS 125 2.494 -3.817 15.860 986 1HE LYS 125 HE2 LYS 125 4.768 -2.579 17.386 987 2HE LYS 125 HE1 LYS 125 4.348 -4.285 17.242 988 1HZ LYS 125 HZ1 LYS 125 5.755 -2.552 15.355 989 2HZ LYS 125 HZ2 LYS 125 4.765 -3.762 14.712 990 3HZ LYS 125 HZ3 LYS 125 6.036 -4.173 15.749 991 H LEU 126 HN LEU 126 1.001 0.817 13.187 992 HA LEU 126 HA LEU 126 3.069 2.640 13.983 993 1HB LEU 126 HB2 LEU 126 2.592 1.638 11.643 994 2HB LEU 126 HB1 LEU 126 1.409 2.925 11.503 995 HG LEU 126 HG LEU 126 3.606 3.444 10.453 996 1HD1 LEU 126 1HD1 LEU 126 1.916 5.090 11.730 997 2HD1 LEU 126 2HD1 LEU 126 3.366 5.643 10.893 998 3HD1 LEU 126 3HD1 LEU 126 3.392 5.408 12.641 999 1HD2 LEU 126 1HD2 LEU 126 5.564 3.464 11.575 1000 2HD2 LEU 126 2HD2 LEU 126 4.731 2.305 12.611 1001 3HD2 LEU 126 3HD2 LEU 126 4.821 4.002 13.081 1002 H LYS 127 HN LYS 127 -0.406 2.742 13.728 1003 HA LYS 127 HA LYS 127 -0.861 5.484 13.633 1004 1HB LYS 127 HB2 LYS 127 -2.588 3.770 13.403 1005 2HB LYS 127 HB1 LYS 127 -2.461 3.396 15.110 1006 1HG LYS 127 HG2 LYS 127 -3.400 5.434 15.747 1007 2HG LYS 127 HG1 LYS 127 -3.136 6.155 14.158 1008 1HD LYS 127 HD2 LYS 127 -4.730 4.255 13.345 1009 2HD LYS 127 HD1 LYS 127 -5.230 4.211 15.037 1010 1HE LYS 127 HE2 LYS 127 -5.303 6.601 13.199 1011 2HE LYS 127 HE1 LYS 127 -6.689 5.675 13.771 1012 1HZ LYS 127 HZ1 LYS 127 -6.043 6.337 16.059 1013 2HZ LYS 127 HZ2 LYS 127 -6.508 7.636 15.081 1014 3HZ LYS 127 HZ3 LYS 127 -4.870 7.361 15.398 1015 H ARG 128 HN ARG 128 -0.305 3.366 16.404 1016 HA ARG 128 HA ARG 128 -0.661 5.369 18.377 1017 1HB ARG 128 HB2 ARG 128 -0.742 2.915 18.819 1018 2HB ARG 128 HB1 ARG 128 0.992 2.843 18.546 1019 1HG ARG 128 HG2 ARG 128 0.692 4.840 20.442 1020 2HG ARG 128 HG1 ARG 128 -0.485 3.613 20.911 1021 1HD ARG 128 HD2 ARG 128 1.259 1.912 20.886 1022 2HD ARG 128 HD1 ARG 128 2.440 3.114 20.369 1023 HE ARG 128 HE ARG 128 1.481 4.156 22.667 1024 1HH1 ARG 128 1HH1 ARG 128 2.768 1.020 21.840 1025 2HH1 ARG 128 2HH1 ARG 128 3.401 0.724 23.424 1026 1HH2 ARG 128 1HH2 ARG 128 2.314 3.769 24.751 1027 2HH2 ARG 128 2HH2 ARG 128 3.144 2.285 25.077 1028 H LEU 129 HN LEU 129 1.686 4.912 16.031 1029 HA LEU 129 HA LEU 129 3.733 5.823 15.628 1030 1HB LEU 129 HB2 LEU 129 2.352 7.769 17.373 1031 2HB LEU 129 HB1 LEU 129 4.088 7.971 17.231 1032 HG LEU 129 HG LEU 129 3.883 8.155 14.796 1033 1HD1 LEU 129 1HD1 LEU 129 1.470 6.870 15.129 1034 2HD1 LEU 129 2HD1 LEU 129 2.050 7.622 13.645 1035 3HD1 LEU 129 3HD1 LEU 129 1.000 8.523 14.738 1036 1HD2 LEU 129 1HD2 LEU 129 2.174 10.236 14.980 1037 2HD2 LEU 129 2HD2 LEU 129 3.853 10.287 15.519 1038 3HD2 LEU 129 3HD2 LEU 129 2.562 9.987 16.683 1039 1HO1 MO2 130 1HO1 MO2 130 -4.531 -3.378 -11.416 1040 2HO1 MO2 130 2HO1 MO2 130 -5.159 -2.033 -8.807 1041 1HO2 MO2 130 1HO2 MO2 130 -3.837 -4.693 -11.134 1042 2HO2 MO2 130 2HO2 MO2 130 -4.243 -1.039 -8.128 1043 1H5* 8OG 131 1H5* ODG 131 -8.899 -7.759 -4.995 1044 2H5* 8OG 131 2H5* ODG 131 -7.240 -7.258 -5.175 1045 H4* 8OG 131 1H4* ODG 131 -7.010 -7.175 -2.751 1046 H3* 8OG 131 1H3* ODG 131 -9.495 -8.535 -2.726 1047 1H2* 8OG 131 1H2* ODG 131 -10.939 -6.989 -1.999 1048 2H2* 8OG 131 2H2* ODG 131 -9.875 -6.593 -0.669 1049 H1* 8OG 131 1H1* ODG 131 -9.242 -4.712 -1.646 1050 H1 8OG 131 H1 ODG 131 -12.561 0.145 -2.547 1051 H7 8OG 131 H7 ODG 131 -13.315 -4.286 -4.710 1052 1H2 8OG 131 H21 ODG 131 -9.664 -0.256 -0.628 1053 2H2 8OG 131 H22 ODG 131 -10.927 0.817 -1.134 1054 H3T 8OG 131 *HO1 ODG 131 -8.925 -8.774 -0.473 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -11.829 -21.170 -1.400 2 2H MET 1 HT2 MET 1 -11.285 -20.654 0.144 3 3H MET 1 HT3 MET 1 -11.806 -22.273 -0.087 4 HA MET 1 HA MET 1 -9.359 -21.856 0.019 5 1HB MET 1 HB2 MET 1 -8.980 -23.548 -1.730 6 2HB MET 1 HB1 MET 1 -10.385 -23.935 -0.746 7 1HG MET 1 HG2 MET 1 -11.876 -23.434 -2.448 8 2HG MET 1 HG1 MET 1 -10.698 -22.462 -3.328 9 1HE MET 1 HE1 MET 1 -11.469 -25.017 -5.868 10 2HE MET 1 HE2 MET 1 -10.063 -23.956 -5.950 11 3HE MET 1 HE3 MET 1 -11.574 -23.365 -5.261 12 H LYS 2 HN LYS 2 -10.448 -19.372 -1.133 13 HA LYS 2 HA LYS 2 -8.658 -19.055 -3.450 14 1HB LYS 2 HB2 LYS 2 -11.300 -18.469 -3.335 15 2HB LYS 2 HB1 LYS 2 -10.618 -16.925 -2.842 16 1HG LYS 2 HG2 LYS 2 -9.083 -17.409 -4.979 17 2HG LYS 2 HG1 LYS 2 -10.537 -18.290 -5.457 18 1HD LYS 2 HD2 LYS 2 -11.653 -16.010 -4.574 19 2HD LYS 2 HD1 LYS 2 -10.094 -15.387 -5.119 20 1HE LYS 2 HE2 LYS 2 -10.765 -16.993 -7.197 21 2HE LYS 2 HE1 LYS 2 -12.357 -16.455 -6.666 22 1HZ LYS 2 HZ1 LYS 2 -10.223 -14.467 -7.006 23 2HZ LYS 2 HZ2 LYS 2 -11.896 -14.286 -7.177 24 3HZ LYS 2 HZ3 LYS 2 -11.004 -15.071 -8.381 25 H LYS 3 HN LYS 3 -6.759 -18.231 -2.883 26 HA LYS 3 HA LYS 3 -6.613 -16.350 -0.644 27 1HB LYS 3 HB2 LYS 3 -4.208 -16.759 -0.682 28 2HB LYS 3 HB1 LYS 3 -5.092 -18.275 -0.593 29 1HG LYS 3 HG2 LYS 3 -3.712 -18.917 -2.230 30 2HG LYS 3 HG1 LYS 3 -4.802 -18.002 -3.274 31 1HD LYS 3 HD2 LYS 3 -2.931 -16.921 -3.900 32 2HD LYS 3 HD1 LYS 3 -3.143 -16.039 -2.387 33 1HE LYS 3 HE2 LYS 3 -0.915 -16.736 -2.331 34 2HE LYS 3 HE1 LYS 3 -1.757 -17.912 -1.324 35 1HZ LYS 3 HZ1 LYS 3 -0.963 -18.299 -4.159 36 2HZ LYS 3 HZ2 LYS 3 -1.807 -19.424 -3.221 37 3HZ LYS 3 HZ3 LYS 3 -0.220 -19.005 -2.813 38 H LEU 4 HN LEU 4 -6.146 -14.247 -0.899 39 HA LEU 4 HA LEU 4 -5.259 -13.335 -3.554 40 1HB LEU 4 HB2 LEU 4 -6.745 -11.458 -3.459 41 2HB LEU 4 HB1 LEU 4 -7.680 -12.922 -3.217 42 HG LEU 4 HG LEU 4 -7.198 -12.263 -0.646 43 1HD1 LEU 4 1HD1 LEU 4 -7.895 -9.633 -0.983 44 2HD1 LEU 4 2HD1 LEU 4 -6.662 -9.869 -2.221 45 3HD1 LEU 4 3HD1 LEU 4 -6.296 -10.225 -0.533 46 1HD2 LEU 4 1HD2 LEU 4 -9.375 -12.775 -1.503 47 2HD2 LEU 4 2HD2 LEU 4 -9.413 -11.280 -2.438 48 3HD2 LEU 4 3HD2 LEU 4 -9.461 -11.219 -0.676 49 H GLN 5 HN GLN 5 -3.442 -12.211 -3.471 50 HA GLN 5 HA GLN 5 -2.576 -11.107 -0.905 51 1HB GLN 5 HB2 GLN 5 -0.931 -11.556 -3.389 52 2HB GLN 5 HB1 GLN 5 -0.334 -11.141 -1.787 53 1HG GLN 5 HG2 GLN 5 -1.439 -13.314 -1.024 54 2HG GLN 5 HG1 GLN 5 -1.530 -13.710 -2.732 55 1HE2 GLN 5 1HE2 GLN 5 0.832 -12.707 -3.667 56 2HE2 GLN 5 2HE2 GLN 5 2.154 -13.571 -2.965 57 H ILE 6 HN ILE 6 -1.640 -9.078 -0.755 58 HA ILE 6 HA ILE 6 -1.887 -7.224 -2.982 59 HB ILE 6 HB ILE 6 -2.972 -5.538 -1.371 60 1HG1 ILE 6 2HG1 ILE 6 -3.719 -8.136 -0.009 61 2HG1 ILE 6 1HG1 ILE 6 -2.766 -6.827 0.682 62 1HG2 ILE 6 1HG2 ILE 6 -3.985 -6.821 -3.378 63 2HG2 ILE 6 2HG2 ILE 6 -5.061 -5.986 -2.258 64 3HG2 ILE 6 3HG2 ILE 6 -4.849 -7.733 -2.141 65 1HD1 ILE 6 1HD1 ILE 6 -5.697 -6.944 0.138 66 2HD1 ILE 6 2HD1 ILE 6 -4.867 -5.391 0.252 67 3HD1 ILE 6 3HD1 ILE 6 -4.847 -6.505 1.619 68 H ALA 7 HN ALA 7 -0.273 -5.717 -2.952 69 HA ALA 7 HA ALA 7 1.307 -5.521 -0.462 70 1HB ALA 7 HB1 ALA 7 2.966 -6.503 -1.601 71 2HB ALA 7 HB2 ALA 7 3.114 -4.971 -2.461 72 3HB ALA 7 HB3 ALA 7 2.155 -6.278 -3.148 73 H VAL 8 HN VAL 8 1.433 -3.508 0.301 74 HA VAL 8 HA VAL 8 1.012 -1.308 -1.607 75 HB VAL 8 HB VAL 8 -0.700 -0.559 -0.417 76 1HG1 VAL 8 1HG1 VAL 8 -1.284 -2.823 0.051 77 2HG1 VAL 8 2HG1 VAL 8 -1.591 -1.873 1.504 78 3HG1 VAL 8 3HG1 VAL 8 -0.156 -2.893 1.405 79 1HG2 VAL 8 1HG2 VAL 8 -0.462 0.125 1.964 80 2HG2 VAL 8 2HG2 VAL 8 0.796 0.769 0.909 81 3HG2 VAL 8 3HG2 VAL 8 1.147 -0.598 1.967 82 H GLY 9 HN GLY 9 1.927 0.752 -0.998 83 1HA GLY 9 HA2 GLY 9 4.139 0.693 0.894 84 2HA GLY 9 HA1 GLY 9 4.559 0.936 -0.795 85 H ILE 10 HN ILE 10 3.853 2.494 2.038 86 HA ILE 10 HA ILE 10 2.393 4.740 1.027 87 HB ILE 10 HB ILE 10 3.978 5.551 3.277 88 1HG1 ILE 10 2HG1 ILE 10 2.882 3.844 4.899 89 2HG1 ILE 10 1HG1 ILE 10 2.793 2.794 3.491 90 1HG2 ILE 10 1HG2 ILE 10 1.230 4.911 3.896 91 2HG2 ILE 10 2HG2 ILE 10 1.370 5.761 2.358 92 3HG2 ILE 10 3HG2 ILE 10 2.040 6.476 3.824 93 1HD1 ILE 10 1HD1 ILE 10 5.293 3.206 3.238 94 2HD1 ILE 10 2HD1 ILE 10 4.769 2.195 4.584 95 3HD1 ILE 10 3HD1 ILE 10 5.224 3.875 4.869 96 H ILE 11 HN ILE 11 3.233 5.989 -0.536 97 HA ILE 11 HA ILE 11 6.031 6.198 -0.986 98 HB ILE 11 HB ILE 11 4.210 8.243 -2.145 99 1HG1 ILE 11 2HG1 ILE 11 4.021 6.126 -3.921 100 2HG1 ILE 11 1HG1 ILE 11 3.784 5.357 -2.353 101 1HG2 ILE 11 1HG2 ILE 11 5.744 8.341 -3.804 102 2HG2 ILE 11 2HG2 ILE 11 6.074 6.610 -3.754 103 3HG2 ILE 11 3HG2 ILE 11 6.790 7.679 -2.547 104 1HD1 ILE 11 1HD1 ILE 11 2.245 7.664 -2.270 105 2HD1 ILE 11 2HD1 ILE 11 1.678 6.005 -2.456 106 3HD1 ILE 11 3HD1 ILE 11 1.990 6.996 -3.884 107 H ARG 12 HN ARG 12 7.428 7.390 0.022 108 HA ARG 12 HA ARG 12 6.607 9.455 1.850 109 1HB ARG 12 HB2 ARG 12 8.943 7.803 1.442 110 2HB ARG 12 HB1 ARG 12 9.397 9.482 1.682 111 1HG ARG 12 HG2 ARG 12 7.388 8.729 3.582 112 2HG ARG 12 HG1 ARG 12 8.734 7.595 3.629 113 1HD ARG 12 HD2 ARG 12 10.296 9.336 4.047 114 2HD ARG 12 HD1 ARG 12 9.095 10.579 3.702 115 HE ARG 12 HE ARG 12 8.105 9.101 5.817 116 1HH1 ARG 12 1HH1 ARG 12 10.900 11.090 5.176 117 2HH1 ARG 12 2HH1 ARG 12 11.075 11.594 6.823 118 1HH2 ARG 12 1HH2 ARG 12 8.334 9.762 7.984 119 2HH2 ARG 12 2HH2 ARG 12 9.620 10.840 8.418 120 H ASN 13 HN ASN 13 6.307 11.443 1.331 121 HA ASN 13 HA ASN 13 7.173 12.582 -1.146 122 1HB ASN 13 HB2 ASN 13 5.058 13.101 0.327 123 2HB ASN 13 HB1 ASN 13 6.126 14.293 1.017 124 1HD2 ASN 13 1HD2 ASN 13 4.583 15.824 0.170 125 2HD2 ASN 13 2HD2 ASN 13 4.695 16.309 -1.484 126 H GLU 14 HN GLU 14 7.769 15.078 -0.701 127 HA GLU 14 HA GLU 14 10.524 14.968 0.146 128 1HB GLU 14 HB2 GLU 14 9.974 16.096 -1.914 129 2HB GLU 14 HB1 GLU 14 8.835 17.148 -1.083 130 1HG GLU 14 HG2 GLU 14 11.591 17.232 -0.064 131 2HG GLU 14 HG1 GLU 14 11.379 17.818 -1.713 132 H ASN 15 HN ASN 15 7.811 15.363 1.930 133 HA ASN 15 HA ASN 15 9.228 17.060 3.855 134 1HB ASN 15 HB2 ASN 15 7.639 18.507 2.645 135 2HB ASN 15 HB1 ASN 15 6.322 17.433 3.102 136 1HD2 ASN 15 1HD2 ASN 15 8.716 19.689 4.293 137 2HD2 ASN 15 2HD2 ASN 15 7.913 20.054 5.778 138 H ASN 16 HN ASN 16 9.260 14.413 4.145 139 HA ASN 16 HA ASN 16 8.664 12.621 5.427 140 1HB ASN 16 HB2 ASN 16 8.416 13.096 7.769 141 2HB ASN 16 HB1 ASN 16 9.553 14.259 7.097 142 1HD2 ASN 16 1HD2 ASN 16 6.371 13.781 8.401 143 2HD2 ASN 16 2HD2 ASN 16 6.007 15.450 8.663 144 H GLU 17 HN GLU 17 6.503 13.888 3.769 145 HA GLU 17 HA GLU 17 4.192 12.777 5.219 146 1HB GLU 17 HB2 GLU 17 4.259 14.965 3.133 147 2HB GLU 17 HB1 GLU 17 2.789 14.247 3.764 148 1HG GLU 17 HG2 GLU 17 3.949 14.981 6.065 149 2HG GLU 17 HG1 GLU 17 4.628 16.198 4.986 150 H ILE 18 HN ILE 18 2.700 11.528 3.903 151 HA ILE 18 HA ILE 18 4.018 10.477 1.487 152 HB ILE 18 HB ILE 18 2.412 9.075 3.593 153 1HG1 ILE 18 2HG1 ILE 18 4.342 7.611 3.740 154 2HG1 ILE 18 1HG1 ILE 18 5.098 8.423 2.378 155 1HG2 ILE 18 1HG2 ILE 18 3.031 7.093 1.833 156 2HG2 ILE 18 2HG2 ILE 18 2.604 8.411 0.751 157 3HG2 ILE 18 3HG2 ILE 18 1.453 7.865 1.969 158 1HD1 ILE 18 1HD1 ILE 18 5.711 8.957 4.905 159 2HD1 ILE 18 2HD1 ILE 18 4.387 10.101 4.699 160 3HD1 ILE 18 3HD1 ILE 18 5.786 10.172 3.629 161 H PHE 19 HN PHE 19 2.851 10.077 -0.326 162 HA PHE 19 HA PHE 19 0.313 11.471 -0.568 163 1HB PHE 19 HB2 PHE 19 1.940 11.905 -2.289 164 2HB PHE 19 HB1 PHE 19 2.173 10.187 -2.579 165 HD1 PHE 19 HD1 PHE 19 0.088 13.094 -3.227 166 HD2 PHE 19 HD2 PHE 19 0.501 8.900 -3.814 167 HE1 PHE 19 HE1 PHE 19 -1.593 13.182 -5.018 168 HE2 PHE 19 HE2 PHE 19 -1.187 8.979 -5.601 169 HZ PHE 19 HZ PHE 19 -2.236 11.124 -6.206 170 H ILE 20 HN ILE 20 -1.177 10.137 0.460 171 HA ILE 20 HA ILE 20 -1.497 7.439 -0.665 172 HB ILE 20 HB ILE 20 -3.160 7.672 1.591 173 1HG1 ILE 20 2HG1 ILE 20 -0.363 8.655 2.198 174 2HG1 ILE 20 1HG1 ILE 20 -1.822 9.636 2.276 175 1HG2 ILE 20 1HG2 ILE 20 -0.530 6.346 1.855 176 2HG2 ILE 20 2HG2 ILE 20 -1.572 5.821 0.533 177 3HG2 ILE 20 3HG2 ILE 20 -2.150 5.737 2.197 178 1HD1 ILE 20 1HD1 ILE 20 -2.670 7.972 3.986 179 2HD1 ILE 20 2HD1 ILE 20 -1.346 9.026 4.484 180 3HD1 ILE 20 3HD1 ILE 20 -1.020 7.351 4.040 181 H THR 21 HN THR 21 -3.710 6.671 -0.943 182 HA THR 21 HA THR 21 -5.312 8.609 -2.302 183 HB THR 21 HB THR 21 -6.712 6.797 -2.921 184 HG1 THR 21 HG1 THR 21 -6.587 4.782 -1.827 185 1HG2 THR 21 1HG2 THR 21 -5.227 5.032 -3.664 186 2HG2 THR 21 2HG2 THR 21 -3.964 5.620 -2.585 187 3HG2 THR 21 3HG2 THR 21 -4.502 6.616 -3.937 188 H ARG 22 HN ARG 22 -6.855 9.865 -1.472 189 HA ARG 22 HA ARG 22 -8.169 9.016 1.019 190 1HB ARG 22 HB2 ARG 22 -6.345 10.868 1.212 191 2HB ARG 22 HB1 ARG 22 -7.567 11.908 0.496 192 1HG ARG 22 HG2 ARG 22 -9.072 10.938 2.407 193 2HG ARG 22 HG1 ARG 22 -7.516 10.603 3.168 194 1HD ARG 22 HD2 ARG 22 -8.329 12.759 3.894 195 2HD ARG 22 HD1 ARG 22 -6.899 12.972 2.884 196 HE ARG 22 HE ARG 22 -8.933 13.225 1.124 197 1HH1 ARG 22 1HH1 ARG 22 -8.240 14.735 4.192 198 2HH1 ARG 22 2HH1 ARG 22 -9.038 16.217 3.786 199 1HH2 ARG 22 1HH2 ARG 22 -9.983 15.173 0.586 200 2HH2 ARG 22 2HH2 ARG 22 -10.028 16.465 1.739 201 H ARG 23 HN ARG 23 -10.303 8.986 0.881 202 HA ARG 23 HA ARG 23 -12.404 9.220 0.057 203 1HB ARG 23 HB2 ARG 23 -12.150 11.429 1.041 204 2HB ARG 23 HB1 ARG 23 -11.414 12.027 -0.438 205 1HG ARG 23 HG2 ARG 23 -13.504 12.760 -0.840 206 2HG ARG 23 HG1 ARG 23 -13.737 11.112 -1.427 207 1HD ARG 23 HD2 ARG 23 -15.429 10.997 0.025 208 2HD ARG 23 HD1 ARG 23 -14.192 10.878 1.276 209 HE ARG 23 HE ARG 23 -14.705 13.009 1.945 210 1HH1 ARG 23 1HH1 ARG 23 -16.146 12.419 -1.178 211 2HH1 ARG 23 2HH1 ARG 23 -17.073 13.882 -1.166 212 1HH2 ARG 23 1HH2 ARG 23 -15.922 14.935 1.962 213 2HH2 ARG 23 2HH2 ARG 23 -16.945 15.311 0.616 214 H ALA 24 HN ALA 24 -11.750 11.641 -2.256 215 HA ALA 24 HA ALA 24 -10.834 10.331 -4.473 216 1HB ALA 24 HB1 ALA 24 -12.396 8.702 -4.699 217 2HB ALA 24 HB2 ALA 24 -13.260 9.987 -5.542 218 3HB ALA 24 HB3 ALA 24 -13.642 9.625 -3.859 219 H ALA 25 HN ALA 25 -13.111 12.612 -3.145 220 HA ALA 25 HA ALA 25 -13.470 14.810 -3.658 221 1HB ALA 25 HB1 ALA 25 -11.861 14.700 -6.160 222 2HB ALA 25 HB2 ALA 25 -11.027 14.563 -4.612 223 3HB ALA 25 HB3 ALA 25 -12.005 15.988 -4.964 224 H ASP 26 HN ASP 26 -14.946 12.471 -4.725 225 HA ASP 26 HA ASP 26 -16.870 13.813 -6.239 226 1HB ASP 26 HB2 ASP 26 -16.535 12.547 -8.422 227 2HB ASP 26 HB1 ASP 26 -15.407 13.862 -8.106 228 H ALA 27 HN ALA 27 -16.716 12.017 -4.042 229 HA ALA 27 HA ALA 27 -18.876 10.326 -4.569 230 1HB ALA 27 HB1 ALA 27 -16.712 9.228 -5.731 231 2HB ALA 27 HB2 ALA 27 -18.049 8.285 -5.074 232 3HB ALA 27 HB3 ALA 27 -16.585 8.522 -4.120 233 H HIS 28 HN HIS 28 -18.469 8.266 -2.767 234 HA HIS 28 HA HIS 28 -17.911 9.713 -0.260 235 1HB HIS 28 HB2 HIS 28 -20.359 8.773 -1.045 236 2HB HIS 28 HB1 HIS 28 -19.755 7.428 -0.083 237 HD1 HIS 28 HD1 HIS 28 -18.751 8.324 2.381 238 HD2 HIS 28 HD2 HIS 28 -21.645 10.603 0.458 239 HE1 HIS 28 HE1 HIS 28 -19.755 9.783 4.167 240 HE2 HIS 28 HE2 HIS 28 -21.442 11.214 2.963 241 H MET 29 HN MET 29 -15.784 8.957 -0.132 242 HA MET 29 HA MET 29 -15.556 6.247 0.888 243 1HB MET 29 HB2 MET 29 -13.919 7.224 -1.459 244 2HB MET 29 HB1 MET 29 -13.596 5.749 -0.558 245 1HG MET 29 HG2 MET 29 -16.133 6.321 -2.071 246 2HG MET 29 HG1 MET 29 -14.786 5.361 -2.678 247 1HE MET 29 HE1 MET 29 -16.293 2.157 -2.188 248 2HE MET 29 HE2 MET 29 -14.592 2.503 -1.877 249 3HE MET 29 HE3 MET 29 -15.448 3.364 -3.156 250 H ALA 30 HN ALA 30 -15.399 8.793 2.132 251 HA ALA 30 HA ALA 30 -12.752 9.698 2.475 252 1HB ALA 30 HB1 ALA 30 -15.337 10.109 3.846 253 2HB ALA 30 HB2 ALA 30 -14.172 11.286 3.240 254 3HB ALA 30 HB3 ALA 30 -13.882 10.468 4.776 255 H ASN 31 HN ASN 31 -14.468 7.001 3.803 256 HA ASN 31 HA ASN 31 -12.528 6.632 5.934 257 1HB ASN 31 HB2 ASN 31 -14.178 4.418 5.961 258 2HB ASN 31 HB1 ASN 31 -14.374 5.859 6.944 259 1HD2 ASN 31 1HD2 ASN 31 -15.675 7.611 5.951 260 2HD2 ASN 31 2HD2 ASN 31 -17.053 7.153 5.015 261 H LYS 32 HN LYS 32 -12.114 6.237 2.878 262 HA LYS 32 HA LYS 32 -11.015 3.521 3.073 263 1HB LYS 32 HB2 LYS 32 -12.603 4.774 1.027 264 2HB LYS 32 HB1 LYS 32 -11.055 4.266 0.364 265 1HG LYS 32 HG2 LYS 32 -11.869 2.106 1.889 266 2HG LYS 32 HG1 LYS 32 -13.354 2.685 1.133 267 1HD LYS 32 HD2 LYS 32 -12.707 2.024 -0.916 268 2HD LYS 32 HD1 LYS 32 -11.050 2.578 -0.674 269 1HE LYS 32 HE2 LYS 32 -11.275 0.114 -0.988 270 2HE LYS 32 HE1 LYS 32 -10.481 0.586 0.513 271 1HZ LYS 32 HZ1 LYS 32 -13.377 0.156 0.559 272 2HZ LYS 32 HZ2 LYS 32 -12.226 -0.122 1.768 273 3HZ LYS 32 HZ3 LYS 32 -12.375 -1.206 0.478 274 H LEU 33 HN LEU 33 -9.803 6.043 3.913 275 HA LEU 33 HA LEU 33 -7.830 6.928 2.131 276 1HB LEU 33 HB2 LEU 33 -8.378 8.168 4.135 277 2HB LEU 33 HB1 LEU 33 -7.839 6.841 5.146 278 HG LEU 33 HG LEU 33 -5.551 7.207 4.539 279 1HD1 LEU 33 1HD1 LEU 33 -6.750 8.849 2.394 280 2HD1 LEU 33 2HD1 LEU 33 -5.322 7.815 2.370 281 3HD1 LEU 33 3HD1 LEU 33 -5.234 9.424 3.088 282 1HD2 LEU 33 1HD2 LEU 33 -6.278 8.584 6.337 283 2HD2 LEU 33 2HD2 LEU 33 -7.017 9.742 5.231 284 3HD2 LEU 33 3HD2 LEU 33 -5.262 9.579 5.294 285 H GLU 34 HN GLU 34 -7.226 4.823 1.174 286 HA GLU 34 HA GLU 34 -5.340 3.307 2.838 287 1HB GLU 34 HB2 GLU 34 -7.405 2.343 1.394 288 2HB GLU 34 HB1 GLU 34 -6.127 2.247 0.191 289 1HG GLU 34 HG2 GLU 34 -5.065 1.216 2.585 290 2HG GLU 34 HG1 GLU 34 -6.670 0.513 2.389 291 H PHE 35 HN PHE 35 -3.784 2.071 1.057 292 HA PHE 35 HA PHE 35 -2.404 4.267 -0.336 293 1HB PHE 35 HB2 PHE 35 -0.726 1.989 0.441 294 2HB PHE 35 HB1 PHE 35 -0.431 3.714 0.611 295 HD1 PHE 35 HD1 PHE 35 -2.511 1.002 2.114 296 HD2 PHE 35 HD2 PHE 35 -0.333 4.604 2.722 297 HE1 PHE 35 HE1 PHE 35 -2.910 0.830 4.535 298 HE2 PHE 35 HE2 PHE 35 -0.728 4.441 5.143 299 HZ PHE 35 HZ PHE 35 -2.017 2.553 6.053 300 HA PRO 36 HA PRO 36 -2.319 2.012 -4.131 301 1HB PRO 36 HB2 PRO 36 0.253 2.389 -4.965 302 2HB PRO 36 HB1 PRO 36 -0.990 3.637 -5.055 303 1HG PRO 36 HG2 PRO 36 1.151 3.242 -3.003 304 2HG PRO 36 HG1 PRO 36 0.600 4.743 -3.769 305 1HD PRO 36 HD2 PRO 36 -0.182 4.047 -1.293 306 2HD PRO 36 HD1 PRO 36 -1.265 4.901 -2.409 307 H GLY 37 HN GLY 37 -1.184 0.199 -5.299 308 1HA GLY 37 HA2 GLY 37 0.361 -1.642 -5.212 309 2HA GLY 37 HA1 GLY 37 0.402 -1.461 -3.485 310 H GLY 38 HN GLY 38 -2.028 -1.989 -5.927 311 1HA GLY 38 HA2 GLY 38 -3.043 -4.283 -4.382 312 2HA GLY 38 HA1 GLY 38 -4.129 -3.117 -5.130 313 H LYS 39 HN LYS 39 -2.778 -6.114 -5.497 314 HA LYS 39 HA LYS 39 -3.647 -7.408 -7.377 315 1HB LYS 39 HB2 LYS 39 -4.136 -5.452 -8.789 316 2HB LYS 39 HB1 LYS 39 -2.412 -5.214 -9.051 317 1HG LYS 39 HG2 LYS 39 -2.378 -6.705 -10.693 318 2HG LYS 39 HG1 LYS 39 -3.208 -7.909 -9.709 319 1HD LYS 39 HD2 LYS 39 -4.849 -5.674 -10.739 320 2HD LYS 39 HD1 LYS 39 -4.271 -6.845 -11.926 321 1HE LYS 39 HE2 LYS 39 -6.113 -7.994 -11.346 322 2HE LYS 39 HE1 LYS 39 -5.145 -8.492 -9.959 323 1HZ LYS 39 HZ1 LYS 39 -6.146 -6.192 -9.071 324 2HZ LYS 39 HZ2 LYS 39 -6.895 -7.689 -8.826 325 3HZ LYS 39 HZ3 LYS 39 -7.409 -6.683 -10.084 326 H ILE 40 HN ILE 40 -0.882 -6.569 -5.929 327 HA ILE 40 HA ILE 40 1.165 -7.528 -7.571 328 HB ILE 40 HB ILE 40 2.558 -7.617 -5.723 329 1HG1 ILE 40 2HG1 ILE 40 0.525 -7.567 -3.583 330 2HG1 ILE 40 1HG1 ILE 40 0.597 -9.074 -4.486 331 1HG2 ILE 40 1HG2 ILE 40 0.679 -5.728 -4.474 332 2HG2 ILE 40 2HG2 ILE 40 1.070 -5.437 -6.165 333 3HG2 ILE 40 3HG2 ILE 40 2.358 -5.506 -4.963 334 1HD1 ILE 40 1HD1 ILE 40 2.100 -8.556 -2.337 335 2HD1 ILE 40 2HD1 ILE 40 3.183 -7.993 -3.610 336 3HD1 ILE 40 3HD1 ILE 40 2.584 -9.651 -3.633 337 H GLU 41 HN GLU 41 -1.266 -9.130 -5.811 338 HA GLU 41 HA GLU 41 -0.343 -11.616 -5.279 339 1HB GLU 41 HB2 GLU 41 -2.737 -12.365 -6.038 340 2HB GLU 41 HB1 GLU 41 -2.525 -11.320 -4.646 341 1HG GLU 41 HG2 GLU 41 -3.804 -9.776 -5.557 342 2HG GLU 41 HG1 GLU 41 -2.774 -9.690 -6.977 343 H MET 42 HN MET 42 -2.347 -11.376 -8.175 344 HA MET 42 HA MET 42 -2.300 -12.758 -10.032 345 1HB MET 42 HB2 MET 42 0.241 -11.140 -10.132 346 2HB MET 42 HB1 MET 42 -0.333 -12.095 -11.491 347 1HG MET 42 HG2 MET 42 -2.352 -10.316 -10.362 348 2HG MET 42 HG1 MET 42 -0.942 -9.482 -11.014 349 1HE MET 42 HE1 MET 42 -3.616 -12.349 -13.441 350 2HE MET 42 HE2 MET 42 -4.111 -11.697 -11.878 351 3HE MET 42 HE3 MET 42 -2.734 -12.795 -11.981 352 H GLY 43 HN GLY 43 1.207 -12.787 -9.627 353 1HA GLY 43 HA2 GLY 43 1.410 -15.393 -8.544 354 2HA GLY 43 HA1 GLY 43 1.519 -15.461 -10.288 355 H GLU 44 HN GLU 44 2.679 -12.820 -8.355 356 HA GLU 44 HA GLU 44 5.339 -13.192 -9.467 357 1HB GLU 44 HB2 GLU 44 3.855 -10.981 -8.187 358 2HB GLU 44 HB1 GLU 44 5.588 -11.008 -7.890 359 1HG GLU 44 HG2 GLU 44 5.668 -9.816 -9.783 360 2HG GLU 44 HG1 GLU 44 5.562 -11.400 -10.550 361 H THR 45 HN THR 45 7.068 -12.277 -7.644 362 HA THR 45 HA THR 45 7.004 -14.371 -5.598 363 HB THR 45 HB THR 45 9.460 -12.838 -5.692 364 HG1 THR 45 HG1 THR 45 10.045 -13.465 -7.819 365 1HG2 THR 45 1HG2 THR 45 9.950 -14.889 -4.940 366 2HG2 THR 45 2HG2 THR 45 10.140 -15.251 -6.655 367 3HG2 THR 45 3HG2 THR 45 8.633 -15.651 -5.831 368 HA PRO 46 HA PRO 46 6.230 -11.873 -2.060 369 1HB PRO 46 HB2 PRO 46 8.688 -12.313 -0.704 370 2HB PRO 46 HB1 PRO 46 7.163 -13.165 -0.462 371 1HG PRO 46 HG2 PRO 46 9.525 -13.944 -2.081 372 2HG PRO 46 HG1 PRO 46 8.363 -14.966 -1.215 373 1HD PRO 46 HD2 PRO 46 8.297 -14.767 -3.873 374 2HD PRO 46 HD1 PRO 46 6.793 -14.843 -2.932 375 H GLU 47 HN GLU 47 9.260 -11.514 -3.782 376 HA GLU 47 HA GLU 47 9.545 -8.785 -2.743 377 1HB GLU 47 HB2 GLU 47 11.425 -10.845 -3.650 378 2HB GLU 47 HB1 GLU 47 11.781 -9.238 -4.268 379 1HG GLU 47 HG2 GLU 47 12.471 -8.493 -2.282 380 2HG GLU 47 HG1 GLU 47 11.158 -9.291 -1.417 381 H GLN 48 HN GLN 48 9.303 -10.616 -5.775 382 HA GLN 48 HA GLN 48 9.496 -8.241 -7.393 383 1HB GLN 48 HB2 GLN 48 8.947 -11.136 -7.968 384 2HB GLN 48 HB1 GLN 48 8.740 -9.915 -9.215 385 1HG GLN 48 HG2 GLN 48 11.048 -9.295 -9.078 386 2HG GLN 48 HG1 GLN 48 11.293 -10.346 -7.684 387 1HE2 GLN 48 1HE2 GLN 48 12.976 -10.701 -9.684 388 2HE2 GLN 48 2HE2 GLN 48 12.618 -12.134 -10.581 389 H ALA 49 HN ALA 49 6.994 -9.699 -5.642 390 HA ALA 49 HA ALA 49 4.786 -9.276 -7.314 391 1HB ALA 49 HB1 ALA 49 3.437 -9.580 -5.409 392 2HB ALA 49 HB2 ALA 49 4.710 -9.024 -4.322 393 3HB ALA 49 HB3 ALA 49 4.867 -10.578 -5.141 394 H VAL 50 HN VAL 50 6.104 -7.189 -4.745 395 HA VAL 50 HA VAL 50 4.336 -5.036 -5.454 396 HB VAL 50 HB VAL 50 5.008 -3.967 -3.572 397 1HG1 VAL 50 1HG1 VAL 50 4.786 -6.610 -3.186 398 2HG1 VAL 50 2HG1 VAL 50 5.067 -5.458 -1.880 399 3HG1 VAL 50 3HG1 VAL 50 6.419 -6.357 -2.568 400 1HG2 VAL 50 1HG2 VAL 50 7.330 -3.971 -2.686 401 2HG2 VAL 50 2HG2 VAL 50 7.200 -3.343 -4.330 402 3HG2 VAL 50 3HG2 VAL 50 7.808 -4.975 -4.055 403 H VAL 51 HN VAL 51 7.787 -5.720 -5.853 404 HA VAL 51 HA VAL 51 8.627 -3.316 -6.915 405 HB VAL 51 HB VAL 51 9.597 -6.053 -7.747 406 1HG1 VAL 51 1HG1 VAL 51 10.471 -3.325 -8.361 407 2HG1 VAL 51 2HG1 VAL 51 10.804 -4.841 -9.199 408 3HG1 VAL 51 3HG1 VAL 51 11.756 -4.388 -7.785 409 1HG2 VAL 51 1HG2 VAL 51 10.840 -6.197 -5.858 410 2HG2 VAL 51 2HG2 VAL 51 9.548 -5.184 -5.211 411 3HG2 VAL 51 3HG2 VAL 51 11.060 -4.452 -5.741 412 H ARG 52 HN ARG 52 7.053 -6.017 -8.550 413 HA ARG 52 HA ARG 52 7.323 -4.810 -11.133 414 1HB ARG 52 HB2 ARG 52 5.982 -7.258 -10.072 415 2HB ARG 52 HB1 ARG 52 5.529 -6.664 -11.663 416 1HG ARG 52 HG2 ARG 52 8.221 -6.635 -11.873 417 2HG ARG 52 HG1 ARG 52 7.990 -7.993 -10.770 418 1HD ARG 52 HD2 ARG 52 7.953 -8.916 -12.939 419 2HD ARG 52 HD1 ARG 52 6.271 -8.859 -12.412 420 HE ARG 52 HE ARG 52 7.103 -6.556 -13.923 421 1HH1 ARG 52 1HH1 ARG 52 5.809 -9.792 -14.106 422 2HH1 ARG 52 2HH1 ARG 52 5.070 -9.544 -15.652 423 1HH2 ARG 52 1HH2 ARG 52 6.133 -6.228 -15.957 424 2HH2 ARG 52 2HH2 ARG 52 5.255 -7.521 -16.704 425 H GLU 53 HN GLU 53 4.566 -5.403 -8.968 426 HA GLU 53 HA GLU 53 2.699 -4.022 -10.575 427 1HB GLU 53 HB2 GLU 53 2.739 -5.160 -7.838 428 2HB GLU 53 HB1 GLU 53 1.542 -3.913 -8.149 429 1HG GLU 53 HG2 GLU 53 1.850 -6.552 -9.549 430 2HG GLU 53 HG1 GLU 53 0.513 -6.011 -8.536 431 H LEU 54 HN LEU 54 5.078 -2.936 -8.321 432 HA LEU 54 HA LEU 54 3.977 -0.554 -7.408 433 1HB LEU 54 HB2 LEU 54 6.599 -1.724 -7.580 434 2HB LEU 54 HB1 LEU 54 6.687 -0.022 -7.982 435 HG LEU 54 HG LEU 54 5.991 0.657 -5.867 436 1HD1 LEU 54 1HD1 LEU 54 4.108 -0.392 -5.193 437 2HD1 LEU 54 2HD1 LEU 54 5.247 -1.353 -4.249 438 3HD1 LEU 54 3HD1 LEU 54 4.639 -1.966 -5.787 439 1HD2 LEU 54 1HD2 LEU 54 7.828 -1.662 -5.872 440 2HD2 LEU 54 2HD2 LEU 54 7.262 -1.075 -4.309 441 3HD2 LEU 54 3HD2 LEU 54 8.114 0.014 -5.404 442 H GLN 55 HN GLN 55 5.707 -1.233 -10.419 443 HA GLN 55 HA GLN 55 5.711 1.384 -11.435 444 1HB GLN 55 HB2 GLN 55 6.347 -1.250 -12.387 445 2HB GLN 55 HB1 GLN 55 5.377 -0.427 -13.601 446 1HG GLN 55 HG2 GLN 55 7.112 1.530 -13.017 447 2HG GLN 55 HG1 GLN 55 8.115 0.124 -12.667 448 1HE2 GLN 55 1HE2 GLN 55 8.986 1.649 -14.621 449 2HE2 GLN 55 2HE2 GLN 55 8.695 0.946 -16.173 450 H GLU 56 HN GLU 56 3.316 -1.149 -11.358 451 HA GLU 56 HA GLU 56 1.460 0.164 -13.113 452 1HB GLU 56 HB2 GLU 56 1.735 -2.389 -12.364 453 2HB GLU 56 HB1 GLU 56 0.532 -1.896 -11.186 454 1HG GLU 56 HG2 GLU 56 -0.326 -0.907 -13.675 455 2HG GLU 56 HG1 GLU 56 0.193 -2.570 -13.937 456 H GLU 57 HN GLU 57 2.149 0.214 -9.696 457 HA GLU 57 HA GLU 57 -0.340 1.705 -9.235 458 1HB GLU 57 HB2 GLU 57 1.445 0.215 -7.321 459 2HB GLU 57 HB1 GLU 57 0.101 1.227 -6.809 460 1HG GLU 57 HG2 GLU 57 -1.272 -0.484 -7.068 461 2HG GLU 57 HG1 GLU 57 -0.897 -0.511 -8.788 462 H VAL 58 HN VAL 58 2.663 2.470 -10.042 463 HA VAL 58 HA VAL 58 2.627 4.930 -8.437 464 HB VAL 58 HB VAL 58 5.191 3.488 -9.120 465 1HG1 VAL 58 1HG1 VAL 58 6.074 5.460 -8.587 466 2HG1 VAL 58 2HG1 VAL 58 5.561 5.152 -6.929 467 3HG1 VAL 58 3HG1 VAL 58 4.524 6.077 -8.015 468 1HG2 VAL 58 1HG2 VAL 58 4.087 3.600 -6.345 469 2HG2 VAL 58 2HG2 VAL 58 5.276 2.496 -7.035 470 3HG2 VAL 58 3HG2 VAL 58 3.571 2.325 -7.446 471 H GLY 59 HN GLY 59 3.907 3.238 -11.257 472 1HA GLY 59 HA2 GLY 59 4.360 3.918 -13.383 473 2HA GLY 59 HA1 GLY 59 3.144 5.146 -13.110 474 H ILE 60 HN ILE 60 5.588 5.635 -10.858 475 HA ILE 60 HA ILE 60 6.937 7.500 -12.679 476 HB ILE 60 HB ILE 60 7.448 8.452 -10.140 477 1HG1 ILE 60 2HG1 ILE 60 4.506 8.438 -10.113 478 2HG1 ILE 60 1HG1 ILE 60 5.271 6.919 -9.674 479 1HG2 ILE 60 1HG2 ILE 60 5.722 9.299 -12.401 480 2HG2 ILE 60 2HG2 ILE 60 7.191 10.038 -11.761 481 3HG2 ILE 60 3HG2 ILE 60 5.664 10.217 -10.896 482 1HD1 ILE 60 1HD1 ILE 60 5.346 9.538 -8.290 483 2HD1 ILE 60 2HD1 ILE 60 6.727 8.453 -8.133 484 3HD1 ILE 60 3HD1 ILE 60 5.123 7.917 -7.633 485 H THR 61 HN THR 61 9.056 8.273 -11.248 486 HA THR 61 HA THR 61 10.522 5.785 -10.762 487 HB THR 61 HB THR 61 12.456 7.341 -11.362 488 HG1 THR 61 HG1 THR 61 10.410 8.865 -12.546 489 1HG2 THR 61 1HG2 THR 61 11.664 5.649 -12.938 490 2HG2 THR 61 2HG2 THR 61 12.134 7.133 -13.768 491 3HG2 THR 61 3HG2 THR 61 10.425 6.773 -13.502 492 HA PRO 62 HA PRO 62 10.990 8.051 -6.820 493 1HB PRO 62 HB2 PRO 62 9.322 6.698 -5.329 494 2HB PRO 62 HB1 PRO 62 8.669 7.604 -6.701 495 1HG PRO 62 HG2 PRO 62 9.078 4.672 -6.404 496 2HG PRO 62 HG1 PRO 62 7.838 5.547 -7.318 497 1HD PRO 62 HD2 PRO 62 10.378 4.518 -8.264 498 2HD PRO 62 HD1 PRO 62 9.094 5.321 -9.185 499 H GLN 63 HN GLN 63 12.405 7.644 -5.114 500 HA GLN 63 HA GLN 63 13.757 5.088 -5.049 501 1HB GLN 63 HB2 GLN 63 13.950 7.219 -2.921 502 2HB GLN 63 HB1 GLN 63 15.156 6.023 -3.371 503 1HG GLN 63 HG2 GLN 63 15.620 7.160 -5.417 504 2HG GLN 63 HG1 GLN 63 14.280 8.275 -5.156 505 1HE2 GLN 63 1HE2 GLN 63 16.848 7.108 -3.012 506 2HE2 GLN 63 2HE2 GLN 63 17.468 8.671 -2.616 507 H HIS 64 HN HIS 64 11.862 3.890 -4.805 508 HA HIS 64 HA HIS 64 10.644 3.977 -2.132 509 1HB HIS 64 HB2 HIS 64 8.961 4.604 -3.621 510 2HB HIS 64 HB1 HIS 64 9.585 3.583 -4.876 511 HD1 HIS 64 HD1 HIS 64 8.853 2.090 -1.531 512 HD2 HIS 64 HD2 HIS 64 7.092 2.387 -5.278 513 HE1 HIS 64 HE1 HIS 64 6.971 0.426 -1.519 514 HE2 HIS 64 HE2 HIS 64 5.849 0.707 -3.756 515 H PHE 65 HN PHE 65 10.688 2.212 -0.919 516 HA PHE 65 HA PHE 65 10.607 -0.433 -1.816 517 1HB PHE 65 HB2 PHE 65 12.991 0.554 -2.470 518 2HB PHE 65 HB1 PHE 65 13.339 0.157 -0.797 519 HD1 PHE 65 HD1 PHE 65 11.214 -1.642 -3.256 520 HD2 PHE 65 HD2 PHE 65 14.764 -1.682 -0.909 521 HE1 PHE 65 HE1 PHE 65 11.617 -3.976 -3.914 522 HE2 PHE 65 HE2 PHE 65 15.174 -4.018 -1.565 523 HZ PHE 65 HZ PHE 65 13.600 -5.168 -3.072 524 H SER 66 HN SER 66 12.641 -1.160 0.363 525 HA SER 66 HA SER 66 12.644 -1.733 2.539 526 1HB SER 66 HB2 SER 66 12.543 0.972 2.471 527 2HB SER 66 HB1 SER 66 11.096 0.622 3.413 528 HG SER 66 HG SER 66 12.441 0.408 5.008 529 H LEU 67 HN LEU 67 11.370 -2.419 4.346 530 HA LEU 67 HA LEU 67 8.536 -2.832 3.676 531 1HB LEU 67 HB2 LEU 67 9.713 -4.916 3.417 532 2HB LEU 67 HB1 LEU 67 10.488 -4.726 4.978 533 HG LEU 67 HG LEU 67 7.539 -4.765 5.041 534 1HD1 LEU 67 1HD1 LEU 67 7.482 -6.493 3.563 535 2HD1 LEU 67 2HD1 LEU 67 7.848 -7.394 5.033 536 3HD1 LEU 67 3HD1 LEU 67 9.139 -6.989 3.903 537 1HD2 LEU 67 1HD2 LEU 67 7.891 -5.439 7.147 538 2HD2 LEU 67 2HD2 LEU 67 9.561 -4.944 6.870 539 3HD2 LEU 67 3HD2 LEU 67 9.096 -6.633 6.665 540 H PHE 68 HN PHE 68 7.362 -1.606 5.002 541 HA PHE 68 HA PHE 68 8.326 -0.787 7.575 542 1HB PHE 68 HB2 PHE 68 6.980 0.910 6.955 543 2HB PHE 68 HB1 PHE 68 6.129 -0.089 5.785 544 HD1 PHE 68 HD1 PHE 68 4.264 -1.581 6.624 545 HD2 PHE 68 HD2 PHE 68 5.973 1.528 8.969 546 HE1 PHE 68 HE1 PHE 68 2.271 -1.583 8.064 547 HE2 PHE 68 HE2 PHE 68 3.985 1.533 10.418 548 HZ PHE 68 HZ PHE 68 2.128 -0.022 9.967 549 H GLU 69 HN GLU 69 5.756 -2.920 6.403 550 HA GLU 69 HA GLU 69 6.021 -4.729 8.558 551 1HB GLU 69 HB2 GLU 69 4.625 -2.540 9.346 552 2HB GLU 69 HB1 GLU 69 3.320 -3.538 8.721 553 1HG GLU 69 HG2 GLU 69 4.967 -5.190 10.320 554 2HG GLU 69 HG1 GLU 69 4.658 -3.706 11.219 555 H LYS 70 HN LYS 70 4.516 -6.535 8.378 556 HA LYS 70 HA LYS 70 2.892 -6.570 5.951 557 1HB LYS 70 HB2 LYS 70 3.900 -8.862 5.412 558 2HB LYS 70 HB1 LYS 70 4.876 -7.447 5.042 559 1HG LYS 70 HG2 LYS 70 6.487 -8.043 6.466 560 2HG LYS 70 HG1 LYS 70 5.336 -8.506 7.722 561 1HD LYS 70 HD2 LYS 70 5.413 -10.297 5.393 562 2HD LYS 70 HD1 LYS 70 6.903 -10.246 6.337 563 1HE LYS 70 HE2 LYS 70 5.878 -11.800 7.598 564 2HE LYS 70 HE1 LYS 70 5.054 -10.414 8.309 565 1HZ LYS 70 HZ1 LYS 70 4.027 -12.474 6.543 566 2HZ LYS 70 HZ2 LYS 70 3.488 -10.906 6.215 567 3HZ LYS 70 HZ3 LYS 70 3.236 -11.584 7.744 568 H LEU 71 HN LEU 71 0.944 -7.230 6.591 569 HA LEU 71 HA LEU 71 0.763 -9.188 8.775 570 1HB LEU 71 HB2 LEU 71 -0.324 -7.163 9.385 571 2HB LEU 71 HB1 LEU 71 -1.117 -7.038 7.828 572 HG LEU 71 HG LEU 71 -1.984 -9.472 8.913 573 1HD1 LEU 71 1HD1 LEU 71 -1.908 -7.273 10.960 574 2HD1 LEU 71 2HD1 LEU 71 -1.282 -8.915 11.105 575 3HD1 LEU 71 3HD1 LEU 71 -3.022 -8.637 11.046 576 1HD2 LEU 71 1HD2 LEU 71 -3.285 -6.773 8.638 577 2HD2 LEU 71 2HD2 LEU 71 -4.160 -8.239 9.080 578 3HD2 LEU 71 3HD2 LEU 71 -3.359 -8.129 7.512 579 H GLU 72 HN GLU 72 -0.280 -11.089 8.468 580 HA GLU 72 HA GLU 72 -1.639 -11.519 5.900 581 1HB GLU 72 HB2 GLU 72 0.380 -12.597 5.482 582 2HB GLU 72 HB1 GLU 72 0.576 -13.099 7.155 583 1HG GLU 72 HG2 GLU 72 -0.976 -14.849 6.918 584 2HG GLU 72 HG1 GLU 72 -1.566 -14.222 5.380 585 H TYR 73 HN TYR 73 -3.685 -12.016 6.292 586 HA TYR 73 HA TYR 73 -4.304 -13.880 8.474 587 1HB TYR 73 HB2 TYR 73 -4.774 -11.505 9.169 588 2HB TYR 73 HB1 TYR 73 -5.966 -11.426 7.874 589 HD1 TYR 73 HD1 TYR 73 -8.121 -12.398 8.128 590 HD2 TYR 73 HD2 TYR 73 -5.130 -13.068 11.077 591 HE1 TYR 73 HE1 TYR 73 -9.822 -13.347 9.629 592 HE2 TYR 73 HE2 TYR 73 -6.821 -14.020 12.587 593 HH TYR 73 HH TYR 73 -10.186 -13.767 11.969 594 H GLU 74 HN GLU 74 -6.102 -15.217 8.113 595 HA GLU 74 HA GLU 74 -7.158 -15.126 5.364 596 1HB GLU 74 HB2 GLU 74 -7.412 -17.650 5.633 597 2HB GLU 74 HB1 GLU 74 -5.783 -17.030 5.407 598 1HG GLU 74 HG2 GLU 74 -5.682 -17.055 7.993 599 2HG GLU 74 HG1 GLU 74 -7.055 -18.152 7.864 600 H PHE 75 HN PHE 75 -9.263 -14.975 5.153 601 HA PHE 75 HA PHE 75 -10.971 -14.928 7.456 602 1HB PHE 75 HB2 PHE 75 -11.122 -14.147 4.621 603 2HB PHE 75 HB1 PHE 75 -12.635 -14.713 5.304 604 HD1 PHE 75 HD1 PHE 75 -11.604 -11.886 4.310 605 HD2 PHE 75 HD2 PHE 75 -12.241 -13.667 8.124 606 HE1 PHE 75 HE1 PHE 75 -11.964 -9.659 5.289 607 HE2 PHE 75 HE2 PHE 75 -12.603 -11.444 9.106 608 HZ PHE 75 HZ PHE 75 -12.465 -9.435 7.689 609 HA PRO 76 HA PRO 76 -12.788 -18.934 7.507 610 1HB PRO 76 HB2 PRO 76 -15.484 -18.385 7.057 611 2HB PRO 76 HB1 PRO 76 -14.674 -18.346 8.626 612 1HG PRO 76 HG2 PRO 76 -15.320 -16.101 6.768 613 2HG PRO 76 HG1 PRO 76 -15.379 -16.147 8.540 614 1HD PRO 76 HD2 PRO 76 -13.374 -14.943 7.249 615 2HD PRO 76 HD1 PRO 76 -13.078 -15.855 8.744 616 H ASP 77 HN ASP 77 -11.694 -19.410 5.511 617 HA ASP 77 HA ASP 77 -11.959 -20.843 3.679 618 1HB ASP 77 HB2 ASP 77 -13.900 -21.108 2.492 619 2HB ASP 77 HB1 ASP 77 -14.565 -20.461 3.984 620 H ARG 78 HN ARG 78 -11.071 -17.879 4.115 621 HA ARG 78 HA ARG 78 -10.237 -17.520 1.330 622 1HB ARG 78 HB2 ARG 78 -12.203 -16.008 1.997 623 2HB ARG 78 HB1 ARG 78 -11.053 -15.173 3.031 624 1HG ARG 78 HG2 ARG 78 -10.840 -13.876 1.196 625 2HG ARG 78 HG1 ARG 78 -9.666 -15.117 0.757 626 1HD ARG 78 HD2 ARG 78 -10.910 -15.843 -0.956 627 2HD ARG 78 HD1 ARG 78 -12.399 -15.786 -0.014 628 HE ARG 78 HE ARG 78 -11.397 -13.771 -1.803 629 1HH1 ARG 78 1HH1 ARG 78 -13.449 -14.387 0.952 630 2HH1 ARG 78 2HH1 ARG 78 -14.437 -12.990 0.687 631 1HH2 ARG 78 1HH2 ARG 78 -12.697 -11.933 -2.154 632 2HH2 ARG 78 2HH2 ARG 78 -14.010 -11.597 -1.078 633 H HIS 79 HN HIS 79 -8.229 -16.461 1.065 634 HA HIS 79 HA HIS 79 -6.665 -16.147 3.543 635 1HB HIS 79 HB2 HIS 79 -6.051 -17.652 1.046 636 2HB HIS 79 HB1 HIS 79 -4.723 -16.818 1.845 637 HD1 HIS 79 HD1 HIS 79 -3.519 -18.859 2.723 638 HD2 HIS 79 HD2 HIS 79 -7.520 -18.733 3.837 639 HE1 HIS 79 HE1 HIS 79 -3.803 -20.696 4.416 640 HE2 HIS 79 HE2 HIS 79 -6.251 -20.656 5.012 641 H ILE 80 HN ILE 80 -6.569 -13.972 3.726 642 HA ILE 80 HA ILE 80 -5.865 -12.395 1.360 643 HB ILE 80 HB ILE 80 -7.678 -11.933 3.447 644 1HG1 ILE 80 2HG1 ILE 80 -6.691 -9.795 1.581 645 2HG1 ILE 80 1HG1 ILE 80 -7.588 -11.188 0.984 646 1HG2 ILE 80 1HG2 ILE 80 -6.966 -9.822 4.429 647 2HG2 ILE 80 2HG2 ILE 80 -5.410 -9.953 3.611 648 3HG2 ILE 80 3HG2 ILE 80 -5.853 -11.121 4.857 649 1HD1 ILE 80 1HD1 ILE 80 -9.147 -10.313 3.059 650 2HD1 ILE 80 2HD1 ILE 80 -9.401 -9.957 1.350 651 3HD1 ILE 80 3HD1 ILE 80 -8.527 -8.813 2.369 652 H THR 81 HN THR 81 -3.903 -11.550 1.101 653 HA THR 81 HA THR 81 -2.099 -11.455 3.430 654 HB THR 81 HB THR 81 -0.822 -11.753 0.795 655 HG1 THR 81 HG1 THR 81 -2.355 -13.867 1.899 656 1HG2 THR 81 1HG2 THR 81 0.368 -11.883 2.981 657 2HG2 THR 81 2HG2 THR 81 0.620 -13.265 1.916 658 3HG2 THR 81 3HG2 THR 81 -0.483 -13.397 3.286 659 H LEU 82 HN LEU 82 -1.522 -9.435 3.904 660 HA LEU 82 HA LEU 82 -1.256 -7.518 1.687 661 1HB LEU 82 HB2 LEU 82 -1.987 -5.762 3.369 662 2HB LEU 82 HB1 LEU 82 -3.224 -6.828 2.733 663 HG LEU 82 HG LEU 82 -2.394 -8.132 5.026 664 1HD1 LEU 82 1HD1 LEU 82 -2.273 -5.163 5.409 665 2HD1 LEU 82 2HD1 LEU 82 -1.132 -6.398 5.941 666 3HD1 LEU 82 3HD1 LEU 82 -2.702 -6.251 6.728 667 1HD2 LEU 82 1HD2 LEU 82 -4.699 -6.272 4.496 668 2HD2 LEU 82 2HD2 LEU 82 -4.563 -7.260 5.951 669 3HD2 LEU 82 3HD2 LEU 82 -4.672 -8.031 4.368 670 H TRP 83 HN TRP 83 0.784 -6.921 1.469 671 HA TRP 83 HA TRP 83 2.490 -6.815 3.864 672 1HB TRP 83 HB2 TRP 83 3.753 -6.613 1.192 673 2HB TRP 83 HB1 TRP 83 4.282 -7.486 2.621 674 HD1 TRP 83 HD1 TRP 83 1.418 -9.230 2.705 675 HE1 TRP 83 HE1 TRP 83 1.247 -11.217 1.083 676 HE3 TRP 83 HE3 TRP 83 5.061 -7.879 -0.616 677 HZ2 TRP 83 HZ2 TRP 83 2.492 -12.100 -1.288 678 HZ3 TRP 83 HZ3 TRP 83 5.510 -9.353 -2.533 679 HH2 TRP 83 HH2 TRP 83 4.251 -11.419 -2.861 680 H PHE 84 HN PHE 84 3.042 -4.878 4.624 681 HA PHE 84 HA PHE 84 2.600 -2.537 2.928 682 1HB PHE 84 HB2 PHE 84 2.856 -2.859 5.915 683 2HB PHE 84 HB1 PHE 84 2.898 -1.282 5.141 684 HD1 PHE 84 HD1 PHE 84 0.753 -3.564 3.433 685 HD2 PHE 84 HD2 PHE 84 0.936 -0.901 6.758 686 HE1 PHE 84 HE1 PHE 84 -1.701 -3.480 3.499 687 HE2 PHE 84 HE2 PHE 84 -1.519 -0.818 6.822 688 HZ PHE 84 HZ PHE 84 -2.841 -2.106 5.194 689 H TRP 85 HN TRP 85 4.264 -1.621 1.942 690 HA TRP 85 HA TRP 85 6.980 -2.099 2.942 691 1HB TRP 85 HB2 TRP 85 5.962 -1.216 0.240 692 2HB TRP 85 HB1 TRP 85 7.671 -1.277 0.662 693 HD1 TRP 85 HD1 TRP 85 4.748 -3.826 0.998 694 HE1 TRP 85 HE1 TRP 85 5.591 -6.101 0.143 695 HE3 TRP 85 HE3 TRP 85 9.510 -2.493 -0.298 696 HZ2 TRP 85 HZ2 TRP 85 7.960 -7.189 -0.939 697 HZ3 TRP 85 HZ3 TRP 85 11.001 -4.212 -1.236 698 HH2 TRP 85 HH2 TRP 85 10.241 -6.510 -1.549 699 H LEU 86 HN LEU 86 8.496 -0.379 3.188 700 HA LEU 86 HA LEU 86 7.172 2.192 3.699 701 1HB LEU 86 HB2 LEU 86 8.377 1.024 5.547 702 2HB LEU 86 HB1 LEU 86 9.871 1.284 4.671 703 HG LEU 86 HG LEU 86 9.413 2.910 6.533 704 1HD1 LEU 86 1HD1 LEU 86 9.530 4.534 4.067 705 2HD1 LEU 86 2HD1 LEU 86 10.742 3.265 4.246 706 3HD1 LEU 86 3HD1 LEU 86 10.594 4.522 5.475 707 1HD2 LEU 86 1HD2 LEU 86 7.705 4.440 6.454 708 2HD2 LEU 86 2HD2 LEU 86 6.915 3.028 5.752 709 3HD2 LEU 86 3HD2 LEU 86 7.522 4.310 4.704 710 H VAL 87 HN VAL 87 7.231 3.392 1.953 711 HA VAL 87 HA VAL 87 9.452 3.518 0.118 712 HB VAL 87 HB VAL 87 7.109 5.368 0.271 713 1HG1 VAL 87 1HG1 VAL 87 7.641 5.061 -2.344 714 2HG1 VAL 87 2HG1 VAL 87 9.253 4.869 -1.661 715 3HG1 VAL 87 3HG1 VAL 87 8.332 6.334 -1.341 716 1HG2 VAL 87 1HG2 VAL 87 7.209 2.532 -0.353 717 2HG2 VAL 87 2HG2 VAL 87 6.553 3.485 -1.689 718 3HG2 VAL 87 3HG2 VAL 87 5.807 3.575 -0.094 719 H GLU 88 HN GLU 88 10.848 5.285 -0.218 720 HA GLU 88 HA GLU 88 10.807 7.153 2.055 721 1HB GLU 88 HB2 GLU 88 13.263 7.359 1.774 722 2HB GLU 88 HB1 GLU 88 12.731 5.735 2.188 723 1HG GLU 88 HG2 GLU 88 12.888 5.130 -0.212 724 2HG GLU 88 HG1 GLU 88 13.563 6.729 -0.526 725 H ARG 89 HN ARG 89 10.861 7.091 -1.448 726 HA ARG 89 HA ARG 89 10.480 9.935 -1.470 727 1HB ARG 89 HB2 ARG 89 12.770 10.223 -1.371 728 2HB ARG 89 HB1 ARG 89 13.105 8.740 -2.241 729 1HG ARG 89 HG2 ARG 89 13.744 10.403 -3.718 730 2HG ARG 89 HG1 ARG 89 12.139 9.959 -4.290 731 1HD ARG 89 HD2 ARG 89 11.436 12.051 -4.018 732 2HD ARG 89 HD1 ARG 89 11.890 12.010 -2.316 733 HE ARG 89 HE ARG 89 13.385 13.176 -4.501 734 1HH1 ARG 89 1HH1 ARG 89 13.473 12.047 -1.196 735 2HH1 ARG 89 2HH1 ARG 89 14.867 12.986 -0.784 736 1HH2 ARG 89 1HH2 ARG 89 15.218 14.408 -3.956 737 2HH2 ARG 89 2HH2 ARG 89 15.857 14.326 -2.348 738 H TRP 90 HN TRP 90 10.040 10.790 -3.634 739 HA TRP 90 HA TRP 90 9.734 8.940 -5.794 740 1HB TRP 90 HB2 TRP 90 7.455 8.688 -5.885 741 2HB TRP 90 HB1 TRP 90 7.685 8.768 -4.147 742 HD1 TRP 90 HD1 TRP 90 6.776 11.202 -7.037 743 HE1 TRP 90 HE1 TRP 90 5.051 12.882 -6.128 744 HE3 TRP 90 HE3 TRP 90 6.607 9.643 -2.170 745 HZ2 TRP 90 HZ2 TRP 90 3.785 13.464 -3.680 746 HZ3 TRP 90 HZ3 TRP 90 5.106 10.815 -0.612 747 HH2 TRP 90 HH2 TRP 90 3.727 12.686 -1.352 748 H GLU 91 HN GLU 91 10.172 9.956 -7.634 749 HA GLU 91 HA GLU 91 10.295 12.847 -7.639 750 1HB GLU 91 HB2 GLU 91 11.400 10.664 -9.228 751 2HB GLU 91 HB1 GLU 91 10.843 12.003 -10.221 752 1HG GLU 91 HG2 GLU 91 12.190 13.493 -8.638 753 2HG GLU 91 HG1 GLU 91 12.950 11.997 -8.095 754 H GLY 92 HN GLY 92 8.803 14.191 -8.419 755 1HA GLY 92 HA2 GLY 92 7.086 14.965 -9.784 756 2HA GLY 92 HA1 GLY 92 7.011 13.380 -10.541 757 H GLU 93 HN GLU 93 5.067 12.514 -10.293 758 HA GLU 93 HA GLU 93 3.832 12.606 -7.634 759 1HB GLU 93 HB2 GLU 93 2.572 13.359 -10.255 760 2HB GLU 93 HB1 GLU 93 1.594 12.788 -8.910 761 1HG GLU 93 HG2 GLU 93 2.290 14.617 -7.540 762 2HG GLU 93 HG1 GLU 93 3.468 15.134 -8.746 763 HA PRO 94 HA PRO 94 3.362 8.255 -8.478 764 1HB PRO 94 HB2 PRO 94 1.526 8.056 -6.244 765 2HB PRO 94 HB1 PRO 94 3.199 7.502 -6.345 766 1HG PRO 94 HG2 PRO 94 2.402 9.560 -4.750 767 2HG PRO 94 HG1 PRO 94 4.031 9.435 -5.440 768 1HD PRO 94 HD2 PRO 94 1.695 11.067 -6.380 769 2HD PRO 94 HD1 PRO 94 3.408 11.521 -6.255 770 H TRP 95 HN TRP 95 2.058 7.285 -9.909 771 HA TRP 95 HA TRP 95 -0.800 7.887 -9.749 772 1HB TRP 95 HB2 TRP 95 -0.874 7.983 -12.258 773 2HB TRP 95 HB1 TRP 95 -0.050 9.331 -11.487 774 HD1 TRP 95 HD1 TRP 95 2.547 9.610 -11.965 775 HE1 TRP 95 HE1 TRP 95 4.111 8.623 -13.766 776 HE3 TRP 95 HE3 TRP 95 -0.387 5.743 -13.532 777 HZ2 TRP 95 HZ2 TRP 95 4.068 6.498 -15.625 778 HZ3 TRP 95 HZ3 TRP 95 0.435 4.284 -15.332 779 HH2 TRP 95 HH2 TRP 95 2.625 4.648 -16.347 780 H GLY 96 HN GLY 96 1.514 5.884 -11.570 781 1HA GLY 96 HA2 GLY 96 1.349 3.706 -12.314 782 2HA GLY 96 HA1 GLY 96 0.744 3.405 -10.699 783 H LYS 97 HN LYS 97 -1.441 3.123 -10.350 784 HA LYS 97 HA LYS 97 -3.488 3.666 -12.178 785 1HB LYS 97 HB2 LYS 97 -2.058 1.769 -13.317 786 2HB LYS 97 HB1 LYS 97 -2.937 0.726 -12.208 787 1HG LYS 97 HG2 LYS 97 -4.501 0.627 -13.783 788 2HG LYS 97 HG1 LYS 97 -4.929 2.270 -13.299 789 1HD LYS 97 HD2 LYS 97 -4.634 2.540 -15.565 790 2HD LYS 97 HD1 LYS 97 -3.022 2.935 -14.966 791 1HE LYS 97 HE2 LYS 97 -2.749 0.285 -15.281 792 2HE LYS 97 HE1 LYS 97 -3.958 0.603 -16.524 793 1HZ LYS 97 HZ1 LYS 97 -2.525 1.948 -17.698 794 2HZ LYS 97 HZ2 LYS 97 -1.468 0.765 -17.113 795 3HZ LYS 97 HZ3 LYS 97 -1.541 2.278 -16.360 796 H GLU 98 HN GLU 98 -2.962 3.712 -9.343 797 HA GLU 98 HA GLU 98 -4.285 1.637 -7.969 798 1HB GLU 98 HB2 GLU 98 -4.519 3.400 -6.145 799 2HB GLU 98 HB1 GLU 98 -2.887 3.047 -6.688 800 1HG GLU 98 HG2 GLU 98 -2.734 5.056 -7.894 801 2HG GLU 98 HG1 GLU 98 -4.472 5.338 -7.796 802 H GLY 99 HN GLY 99 -5.422 4.586 -9.501 803 1HA GLY 99 HA2 GLY 99 -7.552 5.084 -10.253 804 2HA GLY 99 HA1 GLY 99 -8.110 3.566 -9.572 805 H GLN 100 HN GLN 100 -6.385 5.723 -7.491 806 HA GLN 100 HA GLN 100 -8.877 6.843 -6.441 807 1HB GLN 100 HB2 GLN 100 -8.103 4.655 -5.252 808 2HB GLN 100 HB1 GLN 100 -6.886 5.691 -4.521 809 1HG GLN 100 HG2 GLN 100 -8.683 5.577 -2.999 810 2HG GLN 100 HG1 GLN 100 -8.756 7.172 -3.745 811 1HE2 GLN 100 1HE2 GLN 100 -10.364 7.576 -5.321 812 2HE2 GLN 100 2HE2 GLN 100 -11.814 6.636 -5.371 813 HA PRO 101 HA PRO 101 -6.016 10.351 -7.041 814 1HB PRO 101 HB2 PRO 101 -8.531 11.431 -5.813 815 2HB PRO 101 HB1 PRO 101 -7.519 12.138 -7.081 816 1HG PRO 101 HG2 PRO 101 -9.756 10.908 -7.738 817 2HG PRO 101 HG1 PRO 101 -8.286 10.629 -8.694 818 1HD PRO 101 HD2 PRO 101 -9.621 8.855 -6.708 819 2HD PRO 101 HD1 PRO 101 -8.711 8.430 -8.172 820 H GLY 102 HN GLY 102 -4.560 11.083 -5.609 821 1HA GLY 102 HA2 GLY 102 -5.311 11.187 -2.760 822 2HA GLY 102 HA1 GLY 102 -3.825 10.393 -3.257 823 H GLU 103 HN GLU 103 -3.396 12.228 -1.487 824 HA GLU 103 HA GLU 103 -2.079 14.362 -2.969 825 1HB GLU 103 HB2 GLU 103 -4.291 14.774 -1.007 826 2HB GLU 103 HB1 GLU 103 -2.952 15.913 -0.996 827 1HG GLU 103 HG2 GLU 103 -4.069 15.334 -3.647 828 2HG GLU 103 HG1 GLU 103 -5.159 16.154 -2.531 829 H TRP 104 HN TRP 104 -0.401 15.443 -1.681 830 HA TRP 104 HA TRP 104 1.007 13.594 -0.054 831 1HB TRP 104 HB2 TRP 104 1.675 16.504 0.100 832 2HB TRP 104 HB1 TRP 104 2.749 15.116 -0.034 833 HD1 TRP 104 HD1 TRP 104 1.814 13.827 -2.706 834 HE1 TRP 104 HE1 TRP 104 2.136 15.051 -4.946 835 HE3 TRP 104 HE3 TRP 104 2.224 18.614 -0.961 836 HZ2 TRP 104 HZ2 TRP 104 2.515 17.697 -5.854 837 HZ3 TRP 104 HZ3 TRP 104 2.565 20.434 -2.582 838 HH2 TRP 104 HH2 TRP 104 2.708 19.984 -4.977 839 H MET 105 HN MET 105 0.218 12.996 1.858 840 HA MET 105 HA MET 105 -0.623 15.108 3.732 841 1HB MET 105 HB2 MET 105 -2.182 13.553 4.737 842 2HB MET 105 HB1 MET 105 -2.503 13.667 3.014 843 1HG MET 105 HG2 MET 105 -1.485 11.559 2.603 844 2HG MET 105 HG1 MET 105 -0.870 11.471 4.253 845 1HE MET 105 HE1 MET 105 -2.354 9.968 6.142 846 2HE MET 105 HE2 MET 105 -3.887 10.796 6.419 847 3HE MET 105 HE3 MET 105 -2.397 11.727 6.257 848 H SER 106 HN SER 106 -0.053 14.832 5.941 849 HA SER 106 HA SER 106 2.508 13.640 6.320 850 1HB SER 106 HB2 SER 106 2.482 14.600 8.461 851 2HB SER 106 HB1 SER 106 1.476 15.699 7.519 852 HG SER 106 HG SER 106 0.747 14.725 9.704 853 H LEU 107 HN LEU 107 2.840 11.530 6.547 854 HA LEU 107 HA LEU 107 0.796 9.672 7.132 855 1HB LEU 107 HB2 LEU 107 3.432 9.554 6.232 856 2HB LEU 107 HB1 LEU 107 3.445 8.665 7.739 857 HG LEU 107 HG LEU 107 1.973 8.048 5.205 858 1HD1 LEU 107 1HD1 LEU 107 3.566 6.323 7.092 859 2HD1 LEU 107 2HD1 LEU 107 4.217 7.106 5.652 860 3HD1 LEU 107 3HD1 LEU 107 2.961 5.878 5.496 861 1HD2 LEU 107 1HD2 LEU 107 1.133 7.382 7.986 862 2HD2 LEU 107 2HD2 LEU 107 0.928 6.174 6.717 863 3HD2 LEU 107 3HD2 LEU 107 0.151 7.750 6.568 864 H VAL 108 HN VAL 108 2.823 11.565 9.164 865 HA VAL 108 HA VAL 108 2.987 9.998 11.455 866 HB VAL 108 HB VAL 108 4.199 12.117 11.185 867 1HG1 VAL 108 1HG1 VAL 108 1.872 13.190 10.360 868 2HG1 VAL 108 2HG1 VAL 108 3.239 14.142 10.939 869 3HG1 VAL 108 3HG1 VAL 108 1.905 13.762 12.027 870 1HG2 VAL 108 1HG2 VAL 108 3.402 11.040 13.471 871 2HG2 VAL 108 2HG2 VAL 108 2.556 12.580 13.615 872 3HG2 VAL 108 3HG2 VAL 108 4.308 12.552 13.422 873 H GLY 109 HN GLY 109 0.223 11.428 10.016 874 1HA GLY 109 HA2 GLY 109 -1.297 11.092 12.520 875 2HA GLY 109 HA1 GLY 109 -1.760 12.166 11.211 876 H LEU 110 HN LEU 110 -0.620 8.856 10.811 877 HA LEU 110 HA LEU 110 -2.750 8.143 9.111 878 1HB LEU 110 HB2 LEU 110 -0.403 7.066 9.430 879 2HB LEU 110 HB1 LEU 110 -1.185 6.125 10.685 880 HG LEU 110 HG LEU 110 -2.729 5.173 9.073 881 1HD1 LEU 110 1HD1 LEU 110 -1.912 5.742 6.576 882 2HD1 LEU 110 2HD1 LEU 110 -1.627 7.298 7.355 883 3HD1 LEU 110 3HD1 LEU 110 -3.236 6.578 7.386 884 1HD2 LEU 110 1HD2 LEU 110 -0.626 4.024 9.381 885 2HD2 LEU 110 2HD2 LEU 110 0.147 5.053 8.177 886 3HD2 LEU 110 3HD2 LEU 110 -1.114 3.921 7.690 887 H ASN 111 HN ASN 111 -4.790 7.548 9.563 888 HA ASN 111 HA ASN 111 -5.384 6.685 12.309 889 1HB ASN 111 HB2 ASN 111 -6.393 8.908 10.811 890 2HB ASN 111 HB1 ASN 111 -7.711 7.804 11.172 891 1HD2 ASN 111 1HD2 ASN 111 -7.674 10.316 12.230 892 2HD2 ASN 111 2HD2 ASN 111 -7.399 10.232 13.933 893 H ALA 112 HN ALA 112 -6.713 4.999 12.638 894 HA ALA 112 HA ALA 112 -7.167 3.204 10.468 895 1HB ALA 112 HB1 ALA 112 -6.731 2.678 12.977 896 2HB ALA 112 HB2 ALA 112 -7.828 1.648 12.053 897 3HB ALA 112 HB3 ALA 112 -8.477 2.879 13.139 898 H ASP 113 HN ASP 113 -8.891 5.830 11.774 899 HA ASP 113 HA ASP 113 -11.534 4.919 11.115 900 1HB ASP 113 HB2 ASP 113 -11.087 6.554 12.933 901 2HB ASP 113 HB1 ASP 113 -10.579 7.724 11.719 902 H ASP 114 HN ASP 114 -9.264 7.281 9.719 903 HA ASP 114 HA ASP 114 -10.912 8.015 7.552 904 1HB ASP 114 HB2 ASP 114 -8.283 8.638 8.508 905 2HB ASP 114 HB1 ASP 114 -8.239 8.393 6.769 906 H PHE 115 HN PHE 115 -8.371 5.597 7.890 907 HA PHE 115 HA PHE 115 -8.470 4.827 5.120 908 1HB PHE 115 HB2 PHE 115 -6.587 3.637 5.590 909 2HB PHE 115 HB1 PHE 115 -6.587 4.584 7.081 910 HD1 PHE 115 HD1 PHE 115 -5.835 1.519 6.067 911 HD2 PHE 115 HD2 PHE 115 -8.604 3.388 8.679 912 HE1 PHE 115 HE1 PHE 115 -6.001 -0.550 7.372 913 HE2 PHE 115 HE2 PHE 115 -8.774 1.320 10.002 914 HZ PHE 115 HZ PHE 115 -7.474 -0.653 9.341 915 HA PRO 116 HA PRO 116 -11.478 1.576 5.376 916 1HB PRO 116 HB2 PRO 116 -10.399 -0.532 4.093 917 2HB PRO 116 HB1 PRO 116 -10.844 0.951 3.243 918 1HG PRO 116 HG2 PRO 116 -8.154 0.027 4.160 919 2HG PRO 116 HG1 PRO 116 -8.609 0.818 2.641 920 1HD PRO 116 HD2 PRO 116 -7.471 2.124 4.764 921 2HD PRO 116 HD1 PRO 116 -8.509 2.911 3.562 922 HA PRO 117 HA PRO 117 -10.519 -0.557 9.204 923 1HB PRO 117 HB2 PRO 117 -12.775 -2.164 9.188 924 2HB PRO 117 HB1 PRO 117 -12.699 -0.519 9.826 925 1HG PRO 117 HG2 PRO 117 -13.670 -1.480 7.168 926 2HG PRO 117 HG1 PRO 117 -14.344 -0.224 8.223 927 1HD PRO 117 HD2 PRO 117 -12.909 0.409 6.056 928 2HD PRO 117 HD1 PRO 117 -12.774 1.352 7.555 929 H ALA 118 HN ALA 118 -10.876 -2.051 6.123 930 HA ALA 118 HA ALA 118 -10.613 -4.753 6.819 931 1HB ALA 118 HB1 ALA 118 -9.809 -5.045 4.480 932 2HB ALA 118 HB2 ALA 118 -9.819 -3.289 4.313 933 3HB ALA 118 HB3 ALA 118 -11.325 -4.153 4.624 934 H ASN 119 HN ASN 119 -8.319 -2.280 7.199 935 HA ASN 119 HA ASN 119 -6.211 -4.303 7.514 936 1HB ASN 119 HB2 ASN 119 -6.264 -2.156 5.593 937 2HB ASN 119 HB1 ASN 119 -4.919 -1.924 6.704 938 1HD2 ASN 119 1HD2 ASN 119 -4.853 -2.593 3.896 939 2HD2 ASN 119 2HD2 ASN 119 -4.019 -4.101 3.768 940 H GLU 120 HN GLU 120 -7.716 -3.401 9.631 941 HA GLU 120 HA GLU 120 -6.528 -1.151 10.922 942 1HB GLU 120 HB2 GLU 120 -8.792 -2.758 11.330 943 2HB GLU 120 HB1 GLU 120 -7.816 -2.936 12.780 944 1HG GLU 120 HG2 GLU 120 -8.390 -0.227 11.658 945 2HG GLU 120 HG1 GLU 120 -9.575 -1.059 12.663 946 HA PRO 121 HA PRO 121 -4.551 -4.841 13.666 947 1HB PRO 121 HB2 PRO 121 -3.942 -6.419 11.198 948 2HB PRO 121 HB1 PRO 121 -4.219 -6.982 12.850 949 1HG PRO 121 HG2 PRO 121 -6.132 -7.186 11.010 950 2HG PRO 121 HG1 PRO 121 -6.521 -6.754 12.685 951 1HD PRO 121 HD2 PRO 121 -6.483 -5.050 10.251 952 2HD PRO 121 HD1 PRO 121 -7.473 -4.907 11.717 953 H VAL 122 HN VAL 122 -3.591 -3.965 10.372 954 HA VAL 122 HA VAL 122 -0.789 -3.915 10.986 955 HB VAL 122 HB VAL 122 -2.151 -2.656 8.606 956 1HG1 VAL 122 1HG1 VAL 122 0.659 -3.353 9.316 957 2HG1 VAL 122 2HG1 VAL 122 0.020 -1.906 8.537 958 3HG1 VAL 122 3HG1 VAL 122 0.158 -3.410 7.627 959 1HG2 VAL 122 1HG2 VAL 122 -1.798 -5.465 9.312 960 2HG2 VAL 122 2HG2 VAL 122 -1.116 -5.047 7.741 961 3HG2 VAL 122 3HG2 VAL 122 -2.817 -4.725 8.077 962 H ILE 123 HN ILE 123 -3.240 -1.433 10.280 963 HA ILE 123 HA ILE 123 -1.537 0.768 10.749 964 HB ILE 123 HB ILE 123 -4.550 0.630 10.923 965 1HG1 ILE 123 2HG1 ILE 123 -3.364 0.025 8.723 966 2HG1 ILE 123 1HG1 ILE 123 -4.611 1.265 8.658 967 1HG2 ILE 123 1HG2 ILE 123 -2.648 2.960 10.860 968 2HG2 ILE 123 2HG2 ILE 123 -3.866 2.582 12.080 969 3HG2 ILE 123 3HG2 ILE 123 -4.363 3.107 10.471 970 1HD1 ILE 123 1HD1 ILE 123 -3.187 2.776 7.902 971 2HD1 ILE 123 2HD1 ILE 123 -2.042 1.454 7.673 972 3HD1 ILE 123 3HD1 ILE 123 -2.007 2.405 9.160 973 H ALA 124 HN ALA 124 -3.522 -1.196 12.864 974 HA ALA 124 HA ALA 124 -3.697 0.459 15.087 975 1HB ALA 124 HB1 ALA 124 -4.253 -1.436 16.324 976 2HB ALA 124 HB2 ALA 124 -3.209 -2.487 15.366 977 3HB ALA 124 HB3 ALA 124 -4.713 -1.874 14.679 978 H LYS 125 HN LYS 125 -0.991 -1.302 13.802 979 HA LYS 125 HA LYS 125 0.614 -1.067 16.187 980 1HB LYS 125 HB2 LYS 125 0.713 -2.627 13.892 981 2HB LYS 125 HB1 LYS 125 2.094 -1.551 13.727 982 1HG LYS 125 HG2 LYS 125 2.029 -2.520 16.399 983 2HG LYS 125 HG1 LYS 125 1.857 -3.888 15.298 984 1HD LYS 125 HD2 LYS 125 4.011 -1.785 15.099 985 2HD LYS 125 HD1 LYS 125 4.217 -3.362 15.864 986 1HE LYS 125 HE2 LYS 125 3.176 -4.034 13.426 987 2HE LYS 125 HE1 LYS 125 4.167 -2.631 13.030 988 1HZ LYS 125 HZ1 LYS 125 6.072 -3.687 13.964 989 2HZ LYS 125 HZ2 LYS 125 5.356 -4.783 12.894 990 3HZ LYS 125 HZ3 LYS 125 5.151 -4.975 14.562 991 H LEU 126 HN LEU 126 0.620 0.486 12.980 992 HA LEU 126 HA LEU 126 2.728 2.300 13.693 993 1HB LEU 126 HB2 LEU 126 2.249 1.435 11.371 994 2HB LEU 126 HB1 LEU 126 0.852 2.491 11.342 995 HG LEU 126 HG LEU 126 2.897 3.369 10.171 996 1HD1 LEU 126 1HD1 LEU 126 2.444 5.369 12.252 997 2HD1 LEU 126 2HD1 LEU 126 0.963 4.678 11.587 998 3HD1 LEU 126 3HD1 LEU 126 2.139 5.442 10.516 999 1HD2 LEU 126 1HD2 LEU 126 4.841 3.792 11.233 1000 2HD2 LEU 126 2HD2 LEU 126 4.273 2.529 12.325 1001 3HD2 LEU 126 3HD2 LEU 126 4.046 4.226 12.746 1002 H LYS 127 HN LYS 127 -0.748 2.350 13.740 1003 HA LYS 127 HA LYS 127 -1.282 5.072 13.762 1004 1HB LYS 127 HB2 LYS 127 -2.947 3.233 13.703 1005 2HB LYS 127 HB1 LYS 127 -2.678 2.970 15.415 1006 1HG LYS 127 HG2 LYS 127 -3.704 4.943 16.017 1007 2HG LYS 127 HG1 LYS 127 -3.468 5.673 14.429 1008 1HD LYS 127 HD2 LYS 127 -5.772 5.169 14.570 1009 2HD LYS 127 HD1 LYS 127 -5.070 3.922 13.538 1010 1HE LYS 127 HE2 LYS 127 -6.102 2.464 14.880 1011 2HE LYS 127 HE1 LYS 127 -4.830 2.832 16.044 1012 1HZ LYS 127 HZ1 LYS 127 -6.679 3.230 17.292 1013 2HZ LYS 127 HZ2 LYS 127 -7.615 3.744 15.980 1014 3HZ LYS 127 HZ3 LYS 127 -6.452 4.776 16.646 1015 H ARG 128 HN ARG 128 -0.371 2.923 16.411 1016 HA ARG 128 HA ARG 128 -0.540 4.919 18.436 1017 1HB ARG 128 HB2 ARG 128 -0.673 2.563 19.017 1018 2HB ARG 128 HB1 ARG 128 0.929 2.277 18.354 1019 1HG ARG 128 HG2 ARG 128 1.960 3.532 20.093 1020 2HG ARG 128 HG1 ARG 128 0.399 4.118 20.671 1021 1HD ARG 128 HD2 ARG 128 1.385 1.269 20.729 1022 2HD ARG 128 HD1 ARG 128 1.215 2.348 22.113 1023 HE ARG 128 HE ARG 128 -0.839 0.803 20.888 1024 1HH1 ARG 128 1HH1 ARG 128 -0.229 3.815 22.543 1025 2HH1 ARG 128 2HH1 ARG 128 -1.848 3.958 23.141 1026 1HH2 ARG 128 1HH2 ARG 128 -2.968 0.990 21.674 1027 2HH2 ARG 128 2HH2 ARG 128 -3.403 2.354 22.649 1028 H LEU 129 HN LEU 129 1.534 4.505 15.864 1029 HA LEU 129 HA LEU 129 3.607 5.275 15.310 1030 1HB LEU 129 HB2 LEU 129 3.113 7.419 17.352 1031 2HB LEU 129 HB1 LEU 129 4.010 7.538 15.852 1032 HG LEU 129 HG LEU 129 1.213 6.810 15.436 1033 1HD1 LEU 129 1HD1 LEU 129 0.297 9.010 15.969 1034 2HD1 LEU 129 2HD1 LEU 129 1.838 9.480 16.686 1035 3HD1 LEU 129 3HD1 LEU 129 0.884 8.189 17.415 1036 1HD2 LEU 129 1HD2 LEU 129 2.879 9.109 14.422 1037 2HD2 LEU 129 2HD2 LEU 129 1.354 8.532 13.748 1038 3HD2 LEU 129 3HD2 LEU 129 2.792 7.513 13.675 1039 1HO1 MO2 130 1HO1 MO2 130 -4.985 -3.514 -10.005 1040 2HO1 MO2 130 2HO1 MO2 130 -2.772 -0.929 -7.899 1041 1HO2 MO2 130 1HO2 MO2 130 -4.286 -3.837 -11.307 1042 2HO2 MO2 130 2HO2 MO2 130 -3.665 -0.779 -9.111 1043 1H5* 8OG 131 1H5* ODG 131 -10.164 -7.166 -4.557 1044 2H5* 8OG 131 2H5* ODG 131 -9.470 -5.631 -4.999 1045 H4* 8OG 131 1H4* ODG 131 -7.965 -5.745 -3.109 1046 H3* 8OG 131 1H3* ODG 131 -8.755 -8.461 -2.954 1047 1H2* 8OG 131 1H2* ODG 131 -10.018 -8.543 -1.111 1048 2H2* 8OG 131 2H2* ODG 131 -8.788 -7.690 -0.206 1049 H1* 8OG 131 1H1* ODG 131 -9.966 -5.819 -0.236 1050 H1 8OG 131 H1 ODG 131 -15.080 -4.764 2.622 1051 H7 8OG 131 H7 ODG 131 -14.495 -8.037 -1.097 1052 1H2 8OG 131 H21 ODG 131 -11.962 -3.216 2.975 1053 2H2 8OG 131 H22 ODG 131 -13.597 -3.322 3.539 1054 H3T 8OG 131 *HO1 ODG 131 -6.890 -6.907 -1.414 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -8.265 -24.648 -2.484 2 2H MET 1 HT2 MET 1 -7.313 -23.529 -3.371 3 3H MET 1 HT3 MET 1 -8.927 -23.857 -3.853 4 HA MET 1 HA MET 1 -9.791 -22.858 -1.935 5 1HB MET 1 HB2 MET 1 -6.945 -23.062 -1.110 6 2HB MET 1 HB1 MET 1 -7.829 -21.652 -0.544 7 1HG MET 1 HG2 MET 1 -8.209 -23.098 1.173 8 2HG MET 1 HG1 MET 1 -9.613 -23.432 0.161 9 1HE MET 1 HE1 MET 1 -9.854 -26.796 0.257 10 2HE MET 1 HE2 MET 1 -9.476 -26.358 -1.409 11 3HE MET 1 HE3 MET 1 -10.381 -25.242 -0.387 12 H LYS 2 HN LYS 2 -9.892 -20.496 -1.560 13 HA LYS 2 HA LYS 2 -8.969 -19.074 -3.951 14 1HB LYS 2 HB2 LYS 2 -11.429 -19.150 -3.270 15 2HB LYS 2 HB1 LYS 2 -10.988 -18.084 -1.944 16 1HG LYS 2 HG2 LYS 2 -11.752 -16.631 -3.579 17 2HG LYS 2 HG1 LYS 2 -9.998 -16.565 -3.763 18 1HD LYS 2 HD2 LYS 2 -10.045 -17.919 -5.688 19 2HD LYS 2 HD1 LYS 2 -11.702 -18.443 -5.378 20 1HE LYS 2 HE2 LYS 2 -12.606 -16.554 -6.252 21 2HE LYS 2 HE1 LYS 2 -11.269 -15.537 -5.718 22 1HZ LYS 2 HZ1 LYS 2 -9.920 -16.601 -7.507 23 2HZ LYS 2 HZ2 LYS 2 -11.194 -15.640 -8.068 24 3HZ LYS 2 HZ3 LYS 2 -11.338 -17.325 -8.082 25 H LYS 3 HN LYS 3 -6.993 -18.250 -3.591 26 HA LYS 3 HA LYS 3 -6.577 -16.704 -1.117 27 1HB LYS 3 HB2 LYS 3 -4.192 -17.113 -1.376 28 2HB LYS 3 HB1 LYS 3 -5.067 -18.638 -1.352 29 1HG LYS 3 HG2 LYS 3 -4.996 -18.192 -4.001 30 2HG LYS 3 HG1 LYS 3 -3.508 -17.381 -3.508 31 1HD LYS 3 HD2 LYS 3 -4.143 -20.143 -2.535 32 2HD LYS 3 HD1 LYS 3 -3.420 -19.891 -4.126 33 1HE LYS 3 HE2 LYS 3 -2.294 -19.025 -1.466 34 2HE LYS 3 HE1 LYS 3 -1.682 -20.314 -2.503 35 1HZ LYS 3 HZ1 LYS 3 -1.571 -17.396 -2.931 36 2HZ LYS 3 HZ2 LYS 3 -1.426 -18.467 -4.232 37 3HZ LYS 3 HZ3 LYS 3 -0.308 -18.522 -2.963 38 H LEU 4 HN LEU 4 -5.694 -14.649 -1.246 39 HA LEU 4 HA LEU 4 -5.099 -13.546 -3.878 40 1HB LEU 4 HB2 LEU 4 -6.631 -11.706 -3.666 41 2HB LEU 4 HB1 LEU 4 -7.519 -13.214 -3.542 42 HG LEU 4 HG LEU 4 -7.039 -12.689 -0.917 43 1HD1 LEU 4 1HD1 LEU 4 -6.681 -10.545 -0.466 44 2HD1 LEU 4 2HD1 LEU 4 -7.970 -10.033 -1.554 45 3HD1 LEU 4 3HD1 LEU 4 -6.346 -10.313 -2.182 46 1HD2 LEU 4 1HD2 LEU 4 -9.399 -11.485 -2.319 47 2HD2 LEU 4 2HD2 LEU 4 -9.328 -12.283 -0.747 48 3HD2 LEU 4 3HD2 LEU 4 -9.180 -13.233 -2.226 49 H GLN 5 HN GLN 5 -3.297 -12.411 -3.734 50 HA GLN 5 HA GLN 5 -2.459 -11.383 -1.128 51 1HB GLN 5 HB2 GLN 5 -0.807 -11.716 -3.628 52 2HB GLN 5 HB1 GLN 5 -0.214 -11.344 -2.014 53 1HG GLN 5 HG2 GLN 5 -1.263 -13.563 -1.320 54 2HG GLN 5 HG1 GLN 5 -1.381 -13.900 -3.040 55 1HE2 GLN 5 1HE2 GLN 5 0.197 -15.190 -0.905 56 2HE2 GLN 5 2HE2 GLN 5 1.835 -15.145 -1.451 57 H ILE 6 HN ILE 6 -1.512 -9.337 -0.937 58 HA ILE 6 HA ILE 6 -1.874 -7.413 -3.085 59 HB ILE 6 HB ILE 6 -3.150 -7.112 -0.359 60 1HG1 ILE 6 2HG1 ILE 6 -5.034 -6.525 -2.291 61 2HG1 ILE 6 1HG1 ILE 6 -4.142 -7.862 -3.009 62 1HG2 ILE 6 1HG2 ILE 6 -3.873 -4.894 -1.148 63 2HG2 ILE 6 2HG2 ILE 6 -2.875 -5.105 -2.588 64 3HG2 ILE 6 3HG2 ILE 6 -2.121 -5.029 -0.996 65 1HD1 ILE 6 1HD1 ILE 6 -4.800 -9.344 -1.391 66 2HD1 ILE 6 2HD1 ILE 6 -6.220 -8.305 -1.509 67 3HD1 ILE 6 3HD1 ILE 6 -5.071 -8.081 -0.191 68 H ALA 7 HN ALA 7 -0.210 -5.998 -3.116 69 HA ALA 7 HA ALA 7 1.411 -5.744 -0.659 70 1HB ALA 7 HB1 ALA 7 3.263 -5.277 -2.546 71 2HB ALA 7 HB2 ALA 7 2.246 -6.421 -3.415 72 3HB ALA 7 HB3 ALA 7 2.960 -6.877 -1.872 73 H VAL 8 HN VAL 8 1.541 -3.705 0.035 74 HA VAL 8 HA VAL 8 0.961 -1.584 -1.913 75 HB VAL 8 HB VAL 8 -0.504 -0.649 -0.535 76 1HG1 VAL 8 1HG1 VAL 8 -0.061 -3.172 1.038 77 2HG1 VAL 8 2HG1 VAL 8 -1.295 -2.854 -0.180 78 3HG1 VAL 8 3HG1 VAL 8 -1.359 -2.028 1.376 79 1HG2 VAL 8 1HG2 VAL 8 -0.025 -0.211 1.890 80 2HG2 VAL 8 2HG2 VAL 8 1.156 0.459 0.764 81 3HG2 VAL 8 3HG2 VAL 8 1.527 -1.014 1.659 82 H GLY 9 HN GLY 9 1.883 0.524 -1.457 83 1HA GLY 9 HA2 GLY 9 4.396 0.450 0.041 84 2HA GLY 9 HA1 GLY 9 4.451 0.869 -1.661 85 H ILE 10 HN ILE 10 3.997 1.994 1.468 86 HA ILE 10 HA ILE 10 2.459 4.337 0.926 87 HB ILE 10 HB ILE 10 4.255 3.496 3.206 88 1HG1 ILE 10 2HG1 ILE 10 1.816 3.964 4.270 89 2HG1 ILE 10 1HG1 ILE 10 1.355 3.526 2.629 90 1HG2 ILE 10 1HG2 ILE 10 4.494 5.576 3.923 91 2HG2 ILE 10 2HG2 ILE 10 2.741 5.729 4.029 92 3HG2 ILE 10 3HG2 ILE 10 3.578 6.187 2.550 93 1HD1 ILE 10 1HD1 ILE 10 1.382 1.442 3.428 94 2HD1 ILE 10 2HD1 ILE 10 2.405 1.872 4.799 95 3HD1 ILE 10 3HD1 ILE 10 3.129 1.564 3.221 96 H ILE 11 HN ILE 11 3.277 5.584 -0.690 97 HA ILE 11 HA ILE 11 6.057 6.042 -1.067 98 HB ILE 11 HB ILE 11 4.191 8.024 -2.216 99 1HG1 ILE 11 2HG1 ILE 11 4.123 5.092 -2.962 100 2HG1 ILE 11 1HG1 ILE 11 2.773 6.083 -2.417 101 1HG2 ILE 11 1HG2 ILE 11 5.721 8.102 -3.889 102 2HG2 ILE 11 2HG2 ILE 11 6.056 6.372 -3.815 103 3HG2 ILE 11 3HG2 ILE 11 6.762 7.458 -2.619 104 1HD1 ILE 11 1HD1 ILE 11 2.467 7.024 -4.443 105 2HD1 ILE 11 2HD1 ILE 11 3.203 5.511 -4.971 106 3HD1 ILE 11 3HD1 ILE 11 4.181 6.973 -4.850 107 H ARG 12 HN ARG 12 7.350 7.446 -0.167 108 HA ARG 12 HA ARG 12 6.223 9.451 1.647 109 1HB ARG 12 HB2 ARG 12 8.741 7.929 1.513 110 2HB ARG 12 HB1 ARG 12 8.929 9.608 1.996 111 1HG ARG 12 HG2 ARG 12 6.736 8.511 3.432 112 2HG ARG 12 HG1 ARG 12 8.104 7.406 3.565 113 1HD ARG 12 HD2 ARG 12 9.520 9.193 4.367 114 2HD ARG 12 HD1 ARG 12 8.226 10.366 4.122 115 HE ARG 12 HE ARG 12 7.323 9.723 6.118 116 1HH1 ARG 12 1HH1 ARG 12 9.563 7.261 5.070 117 2HH1 ARG 12 2HH1 ARG 12 9.452 6.357 6.542 118 1HH2 ARG 12 1HH2 ARG 12 7.177 8.537 8.055 119 2HH2 ARG 12 2HH2 ARG 12 8.096 7.080 8.238 120 H ASN 13 HN ASN 13 6.569 11.615 1.442 121 HA ASN 13 HA ASN 13 7.723 12.498 -1.101 122 1HB ASN 13 HB2 ASN 13 5.253 12.993 -0.258 123 2HB ASN 13 HB1 ASN 13 6.068 14.352 0.464 124 1HD2 ASN 13 1HD2 ASN 13 6.918 12.815 -2.581 125 2HD2 ASN 13 2HD2 ASN 13 6.543 14.176 -3.574 126 H GLU 14 HN GLU 14 8.040 15.048 -0.789 127 HA GLU 14 HA GLU 14 10.528 15.291 0.531 128 1HB GLU 14 HB2 GLU 14 10.108 16.513 -1.492 129 2HB GLU 14 HB1 GLU 14 8.707 17.303 -0.776 130 1HG GLU 14 HG2 GLU 14 10.493 18.875 -0.852 131 2HG GLU 14 HG1 GLU 14 10.243 18.420 0.832 132 H ASN 15 HN ASN 15 7.335 15.772 1.593 133 HA ASN 15 HA ASN 15 8.293 17.301 3.920 134 1HB ASN 15 HB2 ASN 15 6.531 18.360 2.412 135 2HB ASN 15 HB1 ASN 15 5.423 17.129 3.009 136 1HD2 ASN 15 1HD2 ASN 15 7.838 19.346 4.373 137 2HD2 ASN 15 2HD2 ASN 15 6.834 19.916 5.659 138 H ASN 16 HN ASN 16 8.613 14.516 3.773 139 HA ASN 16 HA ASN 16 8.137 12.551 4.837 140 1HB ASN 16 HB2 ASN 16 7.075 13.447 7.301 141 2HB ASN 16 HB1 ASN 16 8.724 12.951 6.955 142 1HD2 ASN 16 1HD2 ASN 16 6.726 15.470 7.901 143 2HD2 ASN 16 2HD2 ASN 16 7.869 16.760 7.791 144 H GLU 17 HN GLU 17 5.986 13.728 3.256 145 HA GLU 17 HA GLU 17 3.630 12.717 4.687 146 1HB GLU 17 HB2 GLU 17 2.404 13.889 2.736 147 2HB GLU 17 HB1 GLU 17 3.107 14.884 4.003 148 1HG GLU 17 HG2 GLU 17 5.094 15.224 2.546 149 2HG GLU 17 HG1 GLU 17 4.237 14.370 1.264 150 H ILE 18 HN ILE 18 2.305 11.172 3.743 151 HA ILE 18 HA ILE 18 3.566 9.686 1.566 152 HB ILE 18 HB ILE 18 3.451 8.064 3.104 153 1HG1 ILE 18 2HG1 ILE 18 1.354 6.736 3.090 154 2HG1 ILE 18 1HG1 ILE 18 0.532 8.078 2.310 155 1HG2 ILE 18 1HG2 ILE 18 2.794 9.606 4.871 156 2HG2 ILE 18 2HG2 ILE 18 2.034 8.025 5.056 157 3HG2 ILE 18 3HG2 ILE 18 1.101 9.384 4.428 158 1HD1 ILE 18 1HD1 ILE 18 1.408 7.606 0.300 159 2HD1 ILE 18 2HD1 ILE 18 1.592 6.003 0.998 160 3HD1 ILE 18 3HD1 ILE 18 2.957 7.114 0.969 161 H PHE 19 HN PHE 19 2.629 9.508 -0.332 162 HA PHE 19 HA PHE 19 0.096 10.774 -0.849 163 1HB PHE 19 HB2 PHE 19 1.835 11.008 -2.498 164 2HB PHE 19 HB1 PHE 19 2.061 9.268 -2.589 165 HD1 PHE 19 HD1 PHE 19 0.518 7.878 -3.844 166 HD2 PHE 19 HD2 PHE 19 0.006 12.098 -3.632 167 HE1 PHE 19 HE1 PHE 19 -1.042 7.781 -5.742 168 HE2 PHE 19 HE2 PHE 19 -1.551 12.007 -5.532 169 HZ PHE 19 HZ PHE 19 -2.081 9.847 -6.588 170 H ILE 20 HN ILE 20 -1.373 9.494 0.365 171 HA ILE 20 HA ILE 20 -1.762 6.756 -0.604 172 HB ILE 20 HB ILE 20 -3.260 6.777 1.566 173 1HG1 ILE 20 2HG1 ILE 20 -1.141 8.826 2.198 174 2HG1 ILE 20 1HG1 ILE 20 -2.877 9.105 2.152 175 1HG2 ILE 20 1HG2 ILE 20 -0.908 6.220 2.768 176 2HG2 ILE 20 2HG2 ILE 20 -0.442 6.139 1.069 177 3HG2 ILE 20 3HG2 ILE 20 -1.747 5.119 1.676 178 1HD1 ILE 20 1HD1 ILE 20 -1.843 7.016 3.988 179 2HD1 ILE 20 2HD1 ILE 20 -3.233 8.089 4.156 180 3HD1 ILE 20 3HD1 ILE 20 -1.602 8.710 4.413 181 H THR 21 HN THR 21 -4.059 6.042 -0.672 182 HA THR 21 HA THR 21 -5.699 8.056 -1.949 183 HB THR 21 HB THR 21 -7.116 6.274 -2.618 184 HG1 THR 21 HG1 THR 21 -7.049 4.249 -1.660 185 1HG2 THR 21 1HG2 THR 21 -4.710 6.241 -3.529 186 2HG2 THR 21 2HG2 THR 21 -5.744 4.836 -3.789 187 3HG2 THR 21 3HG2 THR 21 -4.519 4.808 -2.520 188 H ARG 22 HN ARG 22 -6.940 9.373 -0.765 189 HA ARG 22 HA ARG 22 -8.439 8.232 1.481 190 1HB ARG 22 HB2 ARG 22 -7.931 10.154 2.899 191 2HB ARG 22 HB1 ARG 22 -6.456 9.312 2.443 192 1HG ARG 22 HG2 ARG 22 -5.643 11.278 1.826 193 2HG ARG 22 HG1 ARG 22 -6.776 11.237 0.474 194 1HD ARG 22 HD2 ARG 22 -8.096 12.811 1.379 195 2HD ARG 22 HD1 ARG 22 -7.957 12.131 3.000 196 HE ARG 22 HE ARG 22 -6.396 14.260 1.874 197 1HH1 ARG 22 1HH1 ARG 22 -6.454 11.724 4.270 198 2HH1 ARG 22 2HH1 ARG 22 -5.286 12.492 5.293 199 1HH2 ARG 22 1HH2 ARG 22 -4.861 15.273 3.218 200 2HH2 ARG 22 2HH2 ARG 22 -4.382 14.507 4.696 201 H ARG 23 HN ARG 23 -10.444 8.395 0.688 202 HA ARG 23 HA ARG 23 -12.321 9.266 -0.297 203 1HB ARG 23 HB2 ARG 23 -11.313 11.327 1.604 204 2HB ARG 23 HB1 ARG 23 -12.646 11.769 0.545 205 1HG ARG 23 HG2 ARG 23 -14.119 10.550 1.698 206 2HG ARG 23 HG1 ARG 23 -13.007 9.188 1.858 207 1HD ARG 23 HD2 ARG 23 -13.044 9.782 4.037 208 2HD ARG 23 HD1 ARG 23 -11.821 10.938 3.512 209 HE ARG 23 HE ARG 23 -14.433 12.019 3.247 210 1HH1 ARG 23 1HH1 ARG 23 -11.967 11.292 5.607 211 2HH1 ARG 23 2HH1 ARG 23 -12.482 12.523 6.710 212 1HH2 ARG 23 1HH2 ARG 23 -15.112 13.640 4.697 213 2HH2 ARG 23 2HH2 ARG 23 -14.268 13.856 6.194 214 H ALA 24 HN ALA 24 -9.832 9.544 -1.836 215 HA ALA 24 HA ALA 24 -10.378 12.017 -3.323 216 1HB ALA 24 HB1 ALA 24 -7.934 10.456 -2.785 217 2HB ALA 24 HB2 ALA 24 -8.159 12.197 -2.945 218 3HB ALA 24 HB3 ALA 24 -8.065 11.184 -4.386 219 H ALA 25 HN ALA 25 -12.054 9.708 -3.606 220 HA ALA 25 HA ALA 25 -12.211 9.545 -6.405 221 1HB ALA 25 HB1 ALA 25 -10.190 7.962 -5.579 222 2HB ALA 25 HB2 ALA 25 -11.165 7.643 -7.013 223 3HB ALA 25 HB3 ALA 25 -11.538 6.827 -5.494 224 H ASP 26 HN ASP 26 -12.697 7.070 -3.887 225 HA ASP 26 HA ASP 26 -15.280 6.380 -4.735 226 1HB ASP 26 HB2 ASP 26 -13.465 5.562 -2.710 227 2HB ASP 26 HB1 ASP 26 -15.032 5.831 -1.958 228 H ALA 27 HN ALA 27 -17.323 6.860 -3.909 229 HA ALA 27 HA ALA 27 -17.465 9.408 -2.442 230 1HB ALA 27 HB1 ALA 27 -19.036 8.265 -4.668 231 2HB ALA 27 HB2 ALA 27 -18.596 9.938 -4.329 232 3HB ALA 27 HB3 ALA 27 -19.933 9.186 -3.461 233 H HIS 28 HN HIS 28 -18.755 6.138 -2.637 234 HA HIS 28 HA HIS 28 -20.330 6.561 -0.211 235 1HB HIS 28 HB2 HIS 28 -21.007 5.224 -2.423 236 2HB HIS 28 HB1 HIS 28 -20.231 3.906 -1.552 237 HD1 HIS 28 HD1 HIS 28 -22.299 6.572 0.127 238 HD2 HIS 28 HD2 HIS 28 -22.544 2.553 -0.899 239 HE1 HIS 28 HE1 HIS 28 -24.365 5.711 1.272 240 HE2 HIS 28 HE2 HIS 28 -24.541 3.299 0.565 241 H MET 29 HN MET 29 -17.736 4.484 -1.452 242 HA MET 29 HA MET 29 -17.242 3.473 1.246 243 1HB MET 29 HB2 MET 29 -16.086 2.674 -1.430 244 2HB MET 29 HB1 MET 29 -15.638 1.940 0.103 245 1HG MET 29 HG2 MET 29 -18.470 1.888 -0.117 246 2HG MET 29 HG1 MET 29 -17.782 1.275 -1.620 247 1HE MET 29 HE1 MET 29 -19.285 0.418 1.361 248 2HE MET 29 HE2 MET 29 -17.879 0.587 2.412 249 3HE MET 29 HE3 MET 29 -18.521 -1.015 2.049 250 H ALA 30 HN ALA 30 -16.689 6.154 0.970 251 HA ALA 30 HA ALA 30 -13.955 6.646 0.321 252 1HB ALA 30 HB1 ALA 30 -16.173 8.216 0.736 253 2HB ALA 30 HB2 ALA 30 -14.522 8.794 0.513 254 3HB ALA 30 HB3 ALA 30 -15.165 8.569 2.139 255 H ASN 31 HN ASN 31 -15.374 5.107 2.946 256 HA ASN 31 HA ASN 31 -13.420 6.008 4.899 257 1HB ASN 31 HB2 ASN 31 -15.995 5.222 5.177 258 2HB ASN 31 HB1 ASN 31 -15.166 3.711 5.545 259 1HD2 ASN 31 1HD2 ASN 31 -15.696 3.708 7.693 260 2HD2 ASN 31 2HD2 ASN 31 -15.042 4.834 8.828 261 H LYS 32 HN LYS 32 -12.640 4.437 2.455 262 HA LYS 32 HA LYS 32 -11.405 2.155 3.827 263 1HB LYS 32 HB2 LYS 32 -12.722 2.369 1.243 264 2HB LYS 32 HB1 LYS 32 -11.108 1.680 1.111 265 1HG LYS 32 HG2 LYS 32 -11.782 -0.264 1.932 266 2HG LYS 32 HG1 LYS 32 -12.555 0.513 3.315 267 1HD LYS 32 HD2 LYS 32 -14.433 -0.318 2.366 268 2HD LYS 32 HD1 LYS 32 -14.320 1.147 1.388 269 1HE LYS 32 HE2 LYS 32 -14.652 -0.574 -0.165 270 2HE LYS 32 HE1 LYS 32 -12.921 -0.248 -0.227 271 1HZ LYS 32 HZ1 LYS 32 -12.893 -2.500 -0.065 272 2HZ LYS 32 HZ2 LYS 32 -14.336 -2.587 0.812 273 3HZ LYS 32 HZ3 LYS 32 -12.902 -2.133 1.587 274 H LEU 33 HN LEU 33 -10.497 4.922 3.691 275 HA LEU 33 HA LEU 33 -8.519 5.609 1.990 276 1HB LEU 33 HB2 LEU 33 -9.249 6.818 4.075 277 2HB LEU 33 HB1 LEU 33 -8.189 5.760 4.984 278 HG LEU 33 HG LEU 33 -7.193 7.532 2.768 279 1HD1 LEU 33 1HD1 LEU 33 -8.246 8.915 4.487 280 2HD1 LEU 33 2HD1 LEU 33 -6.493 9.111 4.473 281 3HD1 LEU 33 3HD1 LEU 33 -7.260 8.126 5.719 282 1HD2 LEU 33 1HD2 LEU 33 -5.098 7.233 4.314 283 2HD2 LEU 33 2HD2 LEU 33 -5.532 5.995 3.137 284 3HD2 LEU 33 3HD2 LEU 33 -5.957 5.783 4.835 285 H GLU 34 HN GLU 34 -7.370 3.927 1.056 286 HA GLU 34 HA GLU 34 -5.490 2.535 2.845 287 1HB GLU 34 HB2 GLU 34 -7.423 1.348 1.287 288 2HB GLU 34 HB1 GLU 34 -5.991 1.227 0.273 289 1HG GLU 34 HG2 GLU 34 -4.836 -0.042 1.872 290 2HG GLU 34 HG1 GLU 34 -5.981 0.369 3.146 291 H PHE 35 HN PHE 35 -3.830 1.404 1.002 292 HA PHE 35 HA PHE 35 -2.683 3.739 -0.374 293 1HB PHE 35 HB2 PHE 35 -0.702 1.721 0.249 294 2HB PHE 35 HB1 PHE 35 -0.713 3.433 0.644 295 HD1 PHE 35 HD1 PHE 35 -2.387 0.280 1.748 296 HD2 PHE 35 HD2 PHE 35 -0.631 3.991 2.864 297 HE1 PHE 35 HE1 PHE 35 -2.720 -0.279 4.119 298 HE2 PHE 35 HE2 PHE 35 -0.962 3.438 5.238 299 HZ PHE 35 HZ PHE 35 -2.007 1.298 5.867 300 HA PRO 36 HA PRO 36 -2.497 1.630 -4.241 301 1HB PRO 36 HB2 PRO 36 0.116 2.122 -4.990 302 2HB PRO 36 HB1 PRO 36 -1.213 3.271 -5.179 303 1HG PRO 36 HG2 PRO 36 0.863 3.109 -3.034 304 2HG PRO 36 HG1 PRO 36 0.199 4.539 -3.848 305 1HD PRO 36 HD2 PRO 36 -0.595 3.843 -1.388 306 2HD PRO 36 HD1 PRO 36 -1.737 4.522 -2.568 307 H GLY 37 HN GLY 37 -1.300 -0.129 -5.427 308 1HA GLY 37 HA2 GLY 37 0.302 -1.916 -5.369 309 2HA GLY 37 HA1 GLY 37 0.339 -1.761 -3.640 310 H GLY 38 HN GLY 38 -2.074 -2.308 -6.086 311 1HA GLY 38 HA2 GLY 38 -3.065 -4.635 -4.576 312 2HA GLY 38 HA1 GLY 38 -4.149 -3.486 -5.354 313 H LYS 39 HN LYS 39 -2.844 -6.479 -5.685 314 HA LYS 39 HA LYS 39 -3.563 -7.807 -7.557 315 1HB LYS 39 HB2 LYS 39 -4.176 -5.838 -8.939 316 2HB LYS 39 HB1 LYS 39 -2.468 -5.577 -9.276 317 1HG LYS 39 HG2 LYS 39 -2.454 -7.110 -10.880 318 2HG LYS 39 HG1 LYS 39 -3.279 -8.293 -9.863 319 1HD LYS 39 HD2 LYS 39 -4.963 -6.082 -10.829 320 2HD LYS 39 HD1 LYS 39 -4.353 -7.163 -12.084 321 1HE LYS 39 HE2 LYS 39 -6.154 -8.402 -11.560 322 2HE LYS 39 HE1 LYS 39 -5.155 -8.951 -10.215 323 1HZ LYS 39 HZ1 LYS 39 -6.217 -6.749 -9.173 324 2HZ LYS 39 HZ2 LYS 39 -6.923 -8.279 -9.024 325 3HZ LYS 39 HZ3 LYS 39 -7.474 -7.206 -10.209 326 H ILE 40 HN ILE 40 -0.844 -6.810 -6.147 327 HA ILE 40 HA ILE 40 1.238 -7.608 -7.826 328 HB ILE 40 HB ILE 40 2.658 -7.621 -5.997 329 1HG1 ILE 40 2HG1 ILE 40 0.742 -7.726 -3.785 330 2HG1 ILE 40 1HG1 ILE 40 0.745 -9.194 -4.748 331 1HG2 ILE 40 1HG2 ILE 40 2.316 -5.545 -5.187 332 2HG2 ILE 40 2HG2 ILE 40 0.665 -5.900 -4.681 333 3HG2 ILE 40 3HG2 ILE 40 1.010 -5.546 -6.371 334 1HD1 ILE 40 1HD1 ILE 40 2.404 -8.727 -2.685 335 2HD1 ILE 40 2HD1 ILE 40 3.400 -8.182 -4.037 336 3HD1 ILE 40 3HD1 ILE 40 2.759 -9.825 -4.019 337 H GLU 41 HN GLU 41 -1.058 -9.392 -6.056 338 HA GLU 41 HA GLU 41 0.007 -11.816 -5.549 339 1HB GLU 41 HB2 GLU 41 -2.322 -12.709 -6.384 340 2HB GLU 41 HB1 GLU 41 -2.200 -11.699 -4.958 341 1HG GLU 41 HG2 GLU 41 -3.560 -10.213 -5.844 342 2HG GLU 41 HG1 GLU 41 -2.514 -10.013 -7.238 343 H MET 42 HN MET 42 -1.950 -11.648 -8.483 344 HA MET 42 HA MET 42 -1.790 -12.993 -10.362 345 1HB MET 42 HB2 MET 42 0.183 -10.859 -10.293 346 2HB MET 42 HB1 MET 42 0.668 -12.162 -11.369 347 1HG MET 42 HG2 MET 42 -1.015 -11.779 -12.828 348 2HG MET 42 HG1 MET 42 -2.120 -11.206 -11.582 349 1HE MET 42 HE1 MET 42 1.283 -8.771 -13.467 350 2HE MET 42 HE2 MET 42 1.190 -10.526 -13.306 351 3HE MET 42 HE3 MET 42 1.589 -9.530 -11.906 352 H GLY 43 HN GLY 43 1.704 -12.864 -9.897 353 1HA GLY 43 HA2 GLY 43 1.981 -15.500 -8.866 354 2HA GLY 43 HA1 GLY 43 2.193 -15.483 -10.602 355 H GLU 44 HN GLU 44 3.099 -12.836 -8.560 356 HA GLU 44 HA GLU 44 5.851 -13.098 -9.474 357 1HB GLU 44 HB2 GLU 44 4.223 -10.931 -8.231 358 2HB GLU 44 HB1 GLU 44 5.970 -10.873 -8.036 359 1HG GLU 44 HG2 GLU 44 6.184 -10.007 -10.054 360 2HG GLU 44 HG1 GLU 44 5.405 -11.420 -10.763 361 H THR 45 HN THR 45 7.417 -12.114 -7.571 362 HA THR 45 HA THR 45 7.173 -14.085 -5.405 363 HB THR 45 HB THR 45 9.733 -12.776 -5.461 364 HG1 THR 45 HG1 THR 45 10.382 -13.408 -7.537 365 1HG2 THR 45 1HG2 THR 45 10.158 -14.827 -4.746 366 2HG2 THR 45 2HG2 THR 45 10.120 -15.316 -6.441 367 3HG2 THR 45 3HG2 THR 45 8.672 -15.468 -5.444 368 HA PRO 46 HA PRO 46 6.553 -11.238 -2.112 369 1HB PRO 46 HB2 PRO 46 8.910 -11.650 -0.621 370 2HB PRO 46 HB1 PRO 46 7.374 -12.492 -0.419 371 1HG PRO 46 HG2 PRO 46 9.809 -13.336 -1.907 372 2HG PRO 46 HG1 PRO 46 8.663 -14.316 -0.972 373 1HD PRO 46 HD2 PRO 46 8.606 -14.336 -3.629 374 2HD PRO 46 HD1 PRO 46 7.095 -14.346 -2.700 375 H GLU 47 HN GLU 47 9.596 -11.181 -3.836 376 HA GLU 47 HA GLU 47 10.141 -8.455 -2.935 377 1HB GLU 47 HB2 GLU 47 11.744 -10.682 -3.868 378 2HB GLU 47 HB1 GLU 47 12.138 -9.201 -4.729 379 1HG GLU 47 HG2 GLU 47 12.992 -8.191 -2.889 380 2HG GLU 47 HG1 GLU 47 11.906 -9.033 -1.784 381 H GLN 48 HN GLN 48 9.726 -10.245 -6.006 382 HA GLN 48 HA GLN 48 9.805 -7.810 -7.542 383 1HB GLN 48 HB2 GLN 48 9.347 -10.703 -8.194 384 2HB GLN 48 HB1 GLN 48 9.022 -9.459 -9.393 385 1HG GLN 48 HG2 GLN 48 11.630 -9.209 -8.098 386 2HG GLN 48 HG1 GLN 48 11.415 -10.701 -9.013 387 1HE2 GLN 48 1HE2 GLN 48 13.153 -8.432 -9.552 388 2HE2 GLN 48 2HE2 GLN 48 12.715 -7.849 -11.118 389 H ALA 49 HN ALA 49 7.341 -9.742 -6.058 390 HA ALA 49 HA ALA 49 5.126 -9.090 -7.604 391 1HB ALA 49 HB1 ALA 49 3.777 -9.666 -5.720 392 2HB ALA 49 HB2 ALA 49 5.114 -9.380 -4.606 393 3HB ALA 49 HB3 ALA 49 5.176 -10.738 -5.730 394 H VAL 50 HN VAL 50 6.503 -7.347 -4.836 395 HA VAL 50 HA VAL 50 4.604 -5.201 -5.061 396 HB VAL 50 HB VAL 50 5.657 -4.201 -3.219 397 1HG1 VAL 50 1HG1 VAL 50 5.100 -5.801 -1.785 398 2HG1 VAL 50 2HG1 VAL 50 6.511 -6.762 -2.220 399 3HG1 VAL 50 3HG1 VAL 50 5.020 -6.920 -3.145 400 1HG2 VAL 50 1HG2 VAL 50 8.109 -5.835 -3.874 401 2HG2 VAL 50 2HG2 VAL 50 7.930 -4.821 -2.442 402 3HG2 VAL 50 3HG2 VAL 50 7.922 -4.089 -4.046 403 H VAL 51 HN VAL 51 8.042 -5.624 -5.797 404 HA VAL 51 HA VAL 51 8.549 -3.014 -6.673 405 HB VAL 51 HB VAL 51 9.925 -5.556 -7.550 406 1HG1 VAL 51 1HG1 VAL 51 10.433 -2.695 -8.038 407 2HG1 VAL 51 2HG1 VAL 51 10.901 -4.111 -8.980 408 3HG1 VAL 51 3HG1 VAL 51 11.835 -3.651 -7.556 409 1HG2 VAL 51 1HG2 VAL 51 10.851 -3.704 -5.380 410 2HG2 VAL 51 2HG2 VAL 51 11.350 -5.363 -5.709 411 3HG2 VAL 51 3HG2 VAL 51 9.751 -5.039 -5.042 412 H ARG 52 HN ARG 52 7.313 -5.840 -8.359 413 HA ARG 52 HA ARG 52 7.498 -4.599 -10.927 414 1HB ARG 52 HB2 ARG 52 7.506 -7.127 -10.365 415 2HB ARG 52 HB1 ARG 52 5.755 -6.969 -10.347 416 1HG ARG 52 HG2 ARG 52 7.189 -5.889 -12.701 417 2HG ARG 52 HG1 ARG 52 7.119 -7.643 -12.524 418 1HD ARG 52 HD2 ARG 52 4.550 -6.418 -12.006 419 2HD ARG 52 HD1 ARG 52 5.162 -5.988 -13.603 420 HE ARG 52 HE ARG 52 5.326 -8.797 -12.977 421 1HH1 ARG 52 1HH1 ARG 52 3.356 -6.254 -14.334 422 2HH1 ARG 52 2HH1 ARG 52 2.401 -7.336 -15.293 423 1HH2 ARG 52 1HH2 ARG 52 4.071 -10.219 -14.237 424 2HH2 ARG 52 2HH2 ARG 52 2.807 -9.586 -15.237 425 H GLU 53 HN GLU 53 4.899 -5.188 -8.599 426 HA GLU 53 HA GLU 53 2.891 -4.044 -10.304 427 1HB GLU 53 HB2 GLU 53 2.912 -5.586 -7.940 428 2HB GLU 53 HB1 GLU 53 2.081 -4.090 -7.549 429 1HG GLU 53 HG2 GLU 53 1.398 -5.957 -9.809 430 2HG GLU 53 HG1 GLU 53 0.528 -5.806 -8.284 431 H LEU 54 HN LEU 54 5.081 -2.841 -7.880 432 HA LEU 54 HA LEU 54 3.734 -0.531 -7.082 433 1HB LEU 54 HB2 LEU 54 6.473 -1.517 -7.024 434 2HB LEU 54 HB1 LEU 54 6.398 0.223 -7.200 435 HG LEU 54 HG LEU 54 5.331 0.514 -5.136 436 1HD1 LEU 54 1HD1 LEU 54 4.874 -1.968 -3.985 437 2HD1 LEU 54 2HD1 LEU 54 4.286 -2.138 -5.638 438 3HD1 LEU 54 3HD1 LEU 54 3.658 -0.852 -4.607 439 1HD2 LEU 54 1HD2 LEU 54 7.165 0.088 -3.975 440 2HD2 LEU 54 2HD2 LEU 54 7.731 -0.916 -5.310 441 3HD2 LEU 54 3HD2 LEU 54 6.823 -1.641 -3.985 442 H GLN 55 HN GLN 55 5.895 -1.064 -9.847 443 HA GLN 55 HA GLN 55 5.893 1.568 -10.817 444 1HB GLN 55 HB2 GLN 55 6.855 -0.964 -11.680 445 2HB GLN 55 HB1 GLN 55 5.929 -0.282 -13.009 446 1HG GLN 55 HG2 GLN 55 8.208 0.361 -13.267 447 2HG GLN 55 HG1 GLN 55 7.276 1.789 -12.818 448 1HE2 GLN 55 1HE2 GLN 55 7.551 2.689 -10.776 449 2HE2 GLN 55 2HE2 GLN 55 8.912 2.313 -9.781 450 H GLU 56 HN GLU 56 3.553 -0.963 -10.906 451 HA GLU 56 HA GLU 56 1.940 0.141 -13.000 452 1HB GLU 56 HB2 GLU 56 2.101 -2.315 -11.975 453 2HB GLU 56 HB1 GLU 56 0.786 -1.714 -10.982 454 1HG GLU 56 HG2 GLU 56 0.447 -1.130 -13.815 455 2HG GLU 56 HG1 GLU 56 0.537 -2.854 -13.456 456 H GLU 57 HN GLU 57 2.183 0.539 -9.527 457 HA GLU 57 HA GLU 57 -0.314 2.087 -9.601 458 1HB GLU 57 HB2 GLU 57 0.864 0.320 -7.619 459 2HB GLU 57 HB1 GLU 57 0.371 1.866 -6.936 460 1HG GLU 57 HG2 GLU 57 -1.673 1.017 -6.798 461 2HG GLU 57 HG1 GLU 57 -1.750 1.169 -8.552 462 H VAL 58 HN VAL 58 2.798 2.713 -10.021 463 HA VAL 58 HA VAL 58 2.558 5.370 -8.811 464 HB VAL 58 HB VAL 58 5.300 4.210 -8.909 465 1HG1 VAL 58 1HG1 VAL 58 4.323 5.750 -6.598 466 2HG1 VAL 58 2HG1 VAL 58 4.300 6.593 -8.145 467 3HG1 VAL 58 3HG1 VAL 58 5.809 5.919 -7.531 468 1HG2 VAL 58 1HG2 VAL 58 4.930 2.552 -7.476 469 2HG2 VAL 58 2HG2 VAL 58 3.225 2.978 -7.351 470 3HG2 VAL 58 3HG2 VAL 58 4.402 3.741 -6.287 471 H GLY 59 HN GLY 59 4.240 3.262 -11.078 472 1HA GLY 59 HA2 GLY 59 5.025 3.588 -13.189 473 2HA GLY 59 HA1 GLY 59 3.845 4.874 -13.300 474 H ILE 60 HN ILE 60 5.844 5.705 -10.783 475 HA ILE 60 HA ILE 60 7.472 7.363 -12.560 476 HB ILE 60 HB ILE 60 7.882 8.445 -10.137 477 1HG1 ILE 60 2HG1 ILE 60 4.971 7.801 -9.979 478 2HG1 ILE 60 1HG1 ILE 60 6.164 6.723 -9.266 479 1HG2 ILE 60 1HG2 ILE 60 5.540 9.075 -11.914 480 2HG2 ILE 60 2HG2 ILE 60 7.199 9.619 -12.169 481 3HG2 ILE 60 3HG2 ILE 60 6.296 10.175 -10.760 482 1HD1 ILE 60 1HD1 ILE 60 5.248 9.368 -8.388 483 2HD1 ILE 60 2HD1 ILE 60 6.980 9.071 -8.245 484 3HD1 ILE 60 3HD1 ILE 60 5.832 7.994 -7.451 485 H THR 61 HN THR 61 9.534 8.082 -11.010 486 HA THR 61 HA THR 61 10.865 5.544 -10.390 487 HB THR 61 HB THR 61 12.891 7.160 -10.843 488 HG1 THR 61 HG1 THR 61 10.888 8.331 -12.444 489 1HG2 THR 61 1HG2 THR 61 12.945 6.543 -13.173 490 2HG2 THR 61 2HG2 THR 61 11.217 6.177 -13.136 491 3HG2 THR 61 3HG2 THR 61 12.353 5.184 -12.217 492 HA PRO 62 HA PRO 62 11.181 7.849 -6.449 493 1HB PRO 62 HB2 PRO 62 9.520 6.309 -5.011 494 2HB PRO 62 HB1 PRO 62 8.899 7.458 -6.185 495 1HG PRO 62 HG2 PRO 62 8.840 4.555 -6.294 496 2HG PRO 62 HG1 PRO 62 7.993 5.721 -7.315 497 1HD PRO 62 HD2 PRO 62 10.556 4.330 -7.784 498 2HD PRO 62 HD1 PRO 62 9.445 5.084 -8.938 499 H GLN 63 HN GLN 63 12.347 7.371 -4.522 500 HA GLN 63 HA GLN 63 13.837 4.882 -4.535 501 1HB GLN 63 HB2 GLN 63 13.626 7.004 -2.364 502 2HB GLN 63 HB1 GLN 63 14.787 5.685 -2.399 503 1HG GLN 63 HG2 GLN 63 15.848 6.615 -4.355 504 2HG GLN 63 HG1 GLN 63 14.636 7.892 -4.436 505 1HE2 GLN 63 1HE2 GLN 63 16.793 6.489 -1.986 506 2HE2 GLN 63 2HE2 GLN 63 17.376 8.001 -1.388 507 H HIS 64 HN HIS 64 11.959 3.660 -4.687 508 HA HIS 64 HA HIS 64 10.261 3.514 -2.314 509 1HB HIS 64 HB2 HIS 64 8.503 2.995 -3.765 510 2HB HIS 64 HB1 HIS 64 9.477 4.083 -4.708 511 HD1 HIS 64 HD1 HIS 64 11.593 2.128 -5.789 512 HD2 HIS 64 HD2 HIS 64 7.513 1.356 -5.699 513 HE1 HIS 64 HE1 HIS 64 11.197 0.400 -7.571 514 HE2 HIS 64 HE2 HIS 64 8.735 -0.117 -7.438 515 H PHE 65 HN PHE 65 10.531 1.876 -0.989 516 HA PHE 65 HA PHE 65 10.713 -0.815 -1.771 517 1HB PHE 65 HB2 PHE 65 13.055 0.476 -2.220 518 2HB PHE 65 HB1 PHE 65 13.291 -0.043 -0.564 519 HD1 PHE 65 HD1 PHE 65 11.972 -1.485 -3.741 520 HD2 PHE 65 HD2 PHE 65 14.411 -2.037 -0.298 521 HE1 PHE 65 HE1 PHE 65 12.614 -3.714 -4.559 522 HE2 PHE 65 HE2 PHE 65 15.056 -4.270 -1.109 523 HZ PHE 65 HZ PHE 65 14.157 -5.110 -3.245 524 H SER 66 HN SER 66 12.529 -1.485 0.480 525 HA SER 66 HA SER 66 12.420 -2.047 2.659 526 1HB SER 66 HB2 SER 66 11.791 0.817 2.536 527 2HB SER 66 HB1 SER 66 11.240 0.020 4.009 528 HG SER 66 HG SER 66 13.254 -0.323 4.596 529 H LEU 67 HN LEU 67 11.022 -2.542 4.486 530 HA LEU 67 HA LEU 67 8.200 -2.809 3.709 531 1HB LEU 67 HB2 LEU 67 9.177 -4.975 3.467 532 2HB LEU 67 HB1 LEU 67 10.004 -4.841 5.008 533 HG LEU 67 HG LEU 67 7.043 -4.692 5.079 534 1HD1 LEU 67 1HD1 LEU 67 7.393 -7.373 5.253 535 2HD1 LEU 67 2HD1 LEU 67 8.519 -6.967 3.958 536 3HD1 LEU 67 3HD1 LEU 67 6.816 -6.531 3.814 537 1HD2 LEU 67 1HD2 LEU 67 7.872 -6.462 6.965 538 2HD2 LEU 67 2HD2 LEU 67 7.728 -4.723 7.216 539 3HD2 LEU 67 3HD2 LEU 67 9.292 -5.429 6.811 540 H PHE 68 HN PHE 68 6.953 -1.690 5.052 541 HA PHE 68 HA PHE 68 7.922 -0.797 7.599 542 1HB PHE 68 HB2 PHE 68 6.532 0.844 6.907 543 2HB PHE 68 HB1 PHE 68 5.651 -0.233 5.835 544 HD1 PHE 68 HD1 PHE 68 5.806 1.212 9.188 545 HD2 PHE 68 HD2 PHE 68 3.657 -1.365 6.577 546 HE1 PHE 68 HE1 PHE 68 3.883 1.269 10.720 547 HE2 PHE 68 HE2 PHE 68 1.728 -1.316 8.102 548 HZ PHE 68 HZ PHE 68 1.835 0.009 10.177 549 H GLU 69 HN GLU 69 5.157 -2.799 6.591 550 HA GLU 69 HA GLU 69 5.586 -4.777 8.551 551 1HB GLU 69 HB2 GLU 69 4.021 -2.472 9.381 552 2HB GLU 69 HB1 GLU 69 3.095 -3.962 9.493 553 1HG GLU 69 HG2 GLU 69 5.143 -4.896 10.728 554 2HG GLU 69 HG1 GLU 69 5.622 -3.209 10.904 555 H LYS 70 HN LYS 70 4.584 -6.597 7.888 556 HA LYS 70 HA LYS 70 2.410 -6.277 5.920 557 1HB LYS 70 HB2 LYS 70 3.180 -8.440 4.953 558 2HB LYS 70 HB1 LYS 70 4.368 -7.150 4.824 559 1HG LYS 70 HG2 LYS 70 5.836 -8.176 6.199 560 2HG LYS 70 HG1 LYS 70 4.571 -8.880 7.207 561 1HD LYS 70 HD2 LYS 70 4.737 -9.895 4.440 562 2HD LYS 70 HD1 LYS 70 6.089 -10.306 5.498 563 1HE LYS 70 HE2 LYS 70 4.044 -10.854 7.147 564 2HE LYS 70 HE1 LYS 70 3.261 -11.165 5.598 565 1HZ LYS 70 HZ1 LYS 70 4.268 -13.168 6.457 566 2HZ LYS 70 HZ2 LYS 70 5.778 -12.412 6.563 567 3HZ LYS 70 HZ3 LYS 70 5.076 -12.686 5.050 568 H LEU 71 HN LEU 71 0.529 -7.292 6.308 569 HA LEU 71 HA LEU 71 0.434 -9.195 8.550 570 1HB LEU 71 HB2 LEU 71 -0.688 -7.203 9.211 571 2HB LEU 71 HB1 LEU 71 -1.532 -7.087 7.680 572 HG LEU 71 HG LEU 71 -2.369 -9.526 8.656 573 1HD1 LEU 71 1HD1 LEU 71 -2.714 -9.476 10.906 574 2HD1 LEU 71 2HD1 LEU 71 -2.745 -7.714 10.975 575 3HD1 LEU 71 3HD1 LEU 71 -1.207 -8.563 10.829 576 1HD2 LEU 71 1HD2 LEU 71 -3.488 -6.803 8.412 577 2HD2 LEU 71 2HD2 LEU 71 -4.388 -7.942 9.413 578 3HD2 LEU 71 3HD2 LEU 71 -4.047 -8.327 7.725 579 H GLU 72 HN GLU 72 -0.506 -11.132 8.205 580 HA GLU 72 HA GLU 72 -1.800 -11.572 5.600 581 1HB GLU 72 HB2 GLU 72 0.215 -12.741 5.426 582 2HB GLU 72 HB1 GLU 72 0.195 -13.223 7.116 583 1HG GLU 72 HG2 GLU 72 -1.374 -14.909 6.737 584 2HG GLU 72 HG1 GLU 72 -1.833 -14.251 5.167 585 H TYR 73 HN TYR 73 -3.911 -11.790 5.936 586 HA TYR 73 HA TYR 73 -4.799 -13.531 8.140 587 1HB TYR 73 HB2 TYR 73 -5.285 -11.139 8.616 588 2HB TYR 73 HB1 TYR 73 -6.236 -11.064 7.136 589 HD1 TYR 73 HD1 TYR 73 -6.007 -13.121 10.252 590 HD2 TYR 73 HD2 TYR 73 -8.520 -11.330 7.324 591 HE1 TYR 73 HE1 TYR 73 -7.987 -13.878 11.497 592 HE2 TYR 73 HE2 TYR 73 -10.507 -12.080 8.561 593 HH TYR 73 HH TYR 73 -10.539 -14.404 10.754 594 H GLU 74 HN GLU 74 -6.735 -14.739 7.738 595 HA GLU 74 HA GLU 74 -7.378 -14.974 4.873 596 1HB GLU 74 HB2 GLU 74 -7.925 -17.420 5.492 597 2HB GLU 74 HB1 GLU 74 -6.242 -16.959 5.291 598 1HG GLU 74 HG2 GLU 74 -6.274 -16.592 7.839 599 2HG GLU 74 HG1 GLU 74 -7.748 -17.557 7.803 600 H PHE 75 HN PHE 75 -9.432 -14.947 4.289 601 HA PHE 75 HA PHE 75 -11.455 -14.576 6.366 602 1HB PHE 75 HB2 PHE 75 -11.011 -13.504 3.711 603 2HB PHE 75 HB1 PHE 75 -12.629 -14.181 3.848 604 HD1 PHE 75 HD1 PHE 75 -14.176 -12.528 4.193 605 HD2 PHE 75 HD2 PHE 75 -10.423 -12.282 6.184 606 HE1 PHE 75 HE1 PHE 75 -14.928 -10.491 5.350 607 HE2 PHE 75 HE2 PHE 75 -11.168 -10.246 7.346 608 HZ PHE 75 HZ PHE 75 -13.423 -9.348 6.929 609 HA PRO 76 HA PRO 76 -13.660 -18.361 5.965 610 1HB PRO 76 HB2 PRO 76 -16.091 -17.456 4.844 611 2HB PRO 76 HB1 PRO 76 -15.730 -17.675 6.557 612 1HG PRO 76 HG2 PRO 76 -15.678 -15.202 4.912 613 2HG PRO 76 HG1 PRO 76 -16.081 -15.407 6.626 614 1HD PRO 76 HD2 PRO 76 -13.742 -14.354 5.858 615 2HD PRO 76 HD1 PRO 76 -13.848 -15.418 7.275 616 H ASP 77 HN ASP 77 -12.139 -18.905 4.251 617 HA ASP 77 HA ASP 77 -11.897 -20.172 2.343 618 1HB ASP 77 HB2 ASP 77 -14.589 -20.046 2.375 619 2HB ASP 77 HB1 ASP 77 -14.267 -19.088 0.933 620 H ARG 78 HN ARG 78 -11.500 -17.103 2.830 621 HA ARG 78 HA ARG 78 -10.478 -16.617 0.128 622 1HB ARG 78 HB2 ARG 78 -12.733 -15.352 1.015 623 2HB ARG 78 HB1 ARG 78 -11.483 -14.209 1.486 624 1HG ARG 78 HG2 ARG 78 -10.696 -14.062 -0.786 625 2HG ARG 78 HG1 ARG 78 -11.832 -15.313 -1.293 626 1HD ARG 78 HD2 ARG 78 -13.386 -13.388 0.002 627 2HD ARG 78 HD1 ARG 78 -12.241 -12.474 -0.977 628 HE ARG 78 HE ARG 78 -13.303 -13.223 -2.866 629 1HH1 ARG 78 1HH1 ARG 78 -14.352 -15.130 -0.137 630 2HH1 ARG 78 2HH1 ARG 78 -15.606 -15.932 -1.022 631 1HH2 ARG 78 1HH2 ARG 78 -14.952 -14.277 -4.030 632 2HH2 ARG 78 2HH2 ARG 78 -15.946 -15.450 -3.231 633 H HIS 79 HN HIS 79 -8.361 -16.942 0.742 634 HA HIS 79 HA HIS 79 -7.241 -15.741 3.086 635 1HB HIS 79 HB2 HIS 79 -6.484 -17.866 1.721 636 2HB HIS 79 HB1 HIS 79 -5.542 -16.688 0.813 637 HD1 HIS 79 HD1 HIS 79 -4.195 -18.884 2.531 638 HD2 HIS 79 HD2 HIS 79 -4.965 -15.012 3.830 639 HE1 HIS 79 HE1 HIS 79 -2.564 -18.465 4.400 640 HE2 HIS 79 HE2 HIS 79 -3.108 -16.147 5.227 641 H ILE 80 HN ILE 80 -7.018 -13.597 3.221 642 HA ILE 80 HA ILE 80 -6.187 -12.110 0.832 643 HB ILE 80 HB ILE 80 -8.217 -11.211 1.628 644 1HG1 ILE 80 2HG1 ILE 80 -6.402 -9.350 3.076 645 2HG1 ILE 80 1HG1 ILE 80 -6.074 -9.655 1.375 646 1HG2 ILE 80 1HG2 ILE 80 -8.392 -12.252 3.764 647 2HG2 ILE 80 2HG2 ILE 80 -8.513 -10.511 4.011 648 3HG2 ILE 80 3HG2 ILE 80 -7.008 -11.352 4.382 649 1HD1 ILE 80 1HD1 ILE 80 -8.366 -8.265 2.648 650 2HD1 ILE 80 2HD1 ILE 80 -8.635 -9.120 1.129 651 3HD1 ILE 80 3HD1 ILE 80 -7.432 -7.834 1.215 652 H THR 81 HN THR 81 -4.071 -11.763 0.753 653 HA THR 81 HA THR 81 -2.589 -11.330 3.256 654 HB THR 81 HB THR 81 -1.076 -11.662 0.744 655 HG1 THR 81 HG1 THR 81 -2.767 -13.686 1.753 656 1HG2 THR 81 1HG2 THR 81 -0.181 -11.699 3.144 657 2HG2 THR 81 2HG2 THR 81 0.392 -12.923 2.011 658 3HG2 THR 81 3HG2 THR 81 -0.836 -13.335 3.207 659 H LEU 82 HN LEU 82 -1.867 -9.335 3.720 660 HA LEU 82 HA LEU 82 -1.590 -7.420 1.498 661 1HB LEU 82 HB2 LEU 82 -2.308 -5.648 3.143 662 2HB LEU 82 HB1 LEU 82 -3.559 -6.738 2.578 663 HG LEU 82 HG LEU 82 -2.700 -7.987 4.869 664 1HD1 LEU 82 1HD1 LEU 82 -2.953 -5.930 6.485 665 2HD1 LEU 82 2HD1 LEU 82 -2.269 -5.056 5.115 666 3HD1 LEU 82 3HD1 LEU 82 -1.380 -6.396 5.840 667 1HD2 LEU 82 1HD2 LEU 82 -4.922 -5.978 4.532 668 2HD2 LEU 82 2HD2 LEU 82 -4.792 -7.142 5.851 669 3HD2 LEU 82 3HD2 LEU 82 -5.009 -7.707 4.194 670 H TRP 83 HN TRP 83 0.475 -6.860 1.277 671 HA TRP 83 HA TRP 83 2.158 -6.732 3.691 672 1HB TRP 83 HB2 TRP 83 3.476 -6.639 1.040 673 2HB TRP 83 HB1 TRP 83 3.959 -7.474 2.507 674 HD1 TRP 83 HD1 TRP 83 1.035 -9.154 2.536 675 HE1 TRP 83 HE1 TRP 83 0.899 -11.197 0.982 676 HE3 TRP 83 HE3 TRP 83 4.866 -8.006 -0.641 677 HZ2 TRP 83 HZ2 TRP 83 2.241 -12.193 -1.289 678 HZ3 TRP 83 HZ3 TRP 83 5.378 -9.560 -2.480 679 HH2 TRP 83 HH2 TRP 83 4.092 -11.611 -2.794 680 H PHE 84 HN PHE 84 2.736 -4.776 4.389 681 HA PHE 84 HA PHE 84 2.421 -2.510 2.555 682 1HB PHE 84 HB2 PHE 84 2.609 -2.537 5.571 683 2HB PHE 84 HB1 PHE 84 2.437 -1.090 4.593 684 HD1 PHE 84 HD1 PHE 84 0.542 -3.373 2.888 685 HD2 PHE 84 HD2 PHE 84 0.513 -1.220 6.567 686 HE1 PHE 84 HE1 PHE 84 -1.900 -3.603 3.001 687 HE2 PHE 84 HE2 PHE 84 -1.929 -1.454 6.680 688 HZ PHE 84 HZ PHE 84 -3.139 -2.643 4.897 689 H TRP 85 HN TRP 85 4.155 -1.616 1.675 690 HA TRP 85 HA TRP 85 6.782 -2.131 2.862 691 1HB TRP 85 HB2 TRP 85 5.954 -1.353 0.070 692 2HB TRP 85 HB1 TRP 85 7.636 -1.399 0.597 693 HD1 TRP 85 HD1 TRP 85 4.683 -3.906 0.940 694 HE1 TRP 85 HE1 TRP 85 5.547 -6.235 0.280 695 HE3 TRP 85 HE3 TRP 85 9.506 -2.682 -0.229 696 HZ2 TRP 85 HZ2 TRP 85 7.955 -7.404 -0.620 697 HZ3 TRP 85 HZ3 TRP 85 11.026 -4.464 -0.980 698 HH2 TRP 85 HH2 TRP 85 10.266 -6.776 -1.170 699 H LEU 86 HN LEU 86 8.334 -0.471 3.148 700 HA LEU 86 HA LEU 86 7.091 2.145 3.599 701 1HB LEU 86 HB2 LEU 86 8.195 1.028 5.491 702 2HB LEU 86 HB1 LEU 86 9.711 1.058 4.613 703 HG LEU 86 HG LEU 86 9.486 3.594 4.582 704 1HD1 LEU 86 1HD1 LEU 86 6.974 3.180 5.428 705 2HD1 LEU 86 2HD1 LEU 86 7.872 4.665 5.737 706 3HD1 LEU 86 3HD1 LEU 86 7.779 3.418 6.980 707 1HD2 LEU 86 1HD2 LEU 86 10.738 1.937 6.286 708 2HD2 LEU 86 2HD2 LEU 86 9.686 2.792 7.413 709 3HD2 LEU 86 3HD2 LEU 86 10.815 3.695 6.403 710 H VAL 87 HN VAL 87 7.227 3.379 1.841 711 HA VAL 87 HA VAL 87 9.602 3.469 0.161 712 HB VAL 87 HB VAL 87 7.253 5.307 0.005 713 1HG1 VAL 87 1HG1 VAL 87 9.623 5.125 -1.441 714 2HG1 VAL 87 2HG1 VAL 87 8.199 6.083 -1.840 715 3HG1 VAL 87 3HG1 VAL 87 8.381 4.461 -2.500 716 1HG2 VAL 87 1HG2 VAL 87 6.479 3.582 -1.796 717 2HG2 VAL 87 2HG2 VAL 87 6.128 3.273 -0.095 718 3HG2 VAL 87 3HG2 VAL 87 7.481 2.453 -0.879 719 H GLU 88 HN GLU 88 10.975 5.271 -0.044 720 HA GLU 88 HA GLU 88 10.739 7.078 2.242 721 1HB GLU 88 HB2 GLU 88 12.814 5.793 2.102 722 2HB GLU 88 HB1 GLU 88 13.153 6.499 0.528 723 1HG GLU 88 HG2 GLU 88 14.481 7.691 2.033 724 2HG GLU 88 HG1 GLU 88 13.114 8.751 1.690 725 H ARG 89 HN ARG 89 10.960 7.242 -1.289 726 HA ARG 89 HA ARG 89 9.997 9.931 -1.211 727 1HB ARG 89 HB2 ARG 89 11.836 11.070 -2.189 728 2HB ARG 89 HB1 ARG 89 12.455 10.202 -0.793 729 1HG ARG 89 HG2 ARG 89 13.954 9.183 -2.053 730 2HG ARG 89 HG1 ARG 89 12.682 8.527 -3.083 731 1HD ARG 89 HD2 ARG 89 14.343 9.857 -4.335 732 2HD ARG 89 HD1 ARG 89 12.711 10.505 -4.459 733 HE ARG 89 HE ARG 89 14.938 11.669 -2.952 734 1HH1 ARG 89 1HH1 ARG 89 11.647 11.910 -4.113 735 2HH1 ARG 89 2HH1 ARG 89 11.526 13.601 -3.770 736 1HH2 ARG 89 1HH2 ARG 89 14.768 13.888 -2.503 737 2HH2 ARG 89 2HH2 ARG 89 13.292 14.723 -2.857 738 H TRP 90 HN TRP 90 9.743 10.863 -3.445 739 HA TRP 90 HA TRP 90 9.849 8.954 -5.608 740 1HB TRP 90 HB2 TRP 90 7.573 8.722 -6.034 741 2HB TRP 90 HB1 TRP 90 7.652 8.628 -4.282 742 HD1 TRP 90 HD1 TRP 90 6.842 11.245 -7.023 743 HE1 TRP 90 HE1 TRP 90 5.025 12.814 -6.099 744 HE3 TRP 90 HE3 TRP 90 6.512 9.392 -2.268 745 HZ2 TRP 90 HZ2 TRP 90 3.631 13.208 -3.684 746 HZ3 TRP 90 HZ3 TRP 90 4.903 10.421 -0.714 747 HH2 TRP 90 HH2 TRP 90 3.495 12.291 -1.408 748 H GLU 91 HN GLU 91 10.319 9.916 -7.471 749 HA GLU 91 HA GLU 91 10.536 12.779 -7.558 750 1HB GLU 91 HB2 GLU 91 12.218 11.351 -8.621 751 2HB GLU 91 HB1 GLU 91 10.998 10.701 -9.706 752 1HG GLU 91 HG2 GLU 91 10.878 12.635 -10.948 753 2HG GLU 91 HG1 GLU 91 11.495 13.640 -9.637 754 H GLY 92 HN GLY 92 9.244 14.231 -8.555 755 1HA GLY 92 HA2 GLY 92 7.462 15.093 -9.725 756 2HA GLY 92 HA1 GLY 92 7.383 13.571 -10.598 757 H GLU 93 HN GLU 93 5.413 12.740 -10.468 758 HA GLU 93 HA GLU 93 4.105 12.670 -7.840 759 1HB GLU 93 HB2 GLU 93 3.254 14.327 -9.837 760 2HB GLU 93 HB1 GLU 93 2.282 12.893 -10.140 761 1HG GLU 93 HG2 GLU 93 1.055 13.159 -8.269 762 2HG GLU 93 HG1 GLU 93 2.409 13.801 -7.340 763 HA PRO 94 HA PRO 94 3.599 8.382 -8.878 764 1HB PRO 94 HB2 PRO 94 1.512 8.128 -6.887 765 2HB PRO 94 HB1 PRO 94 3.183 7.567 -6.807 766 1HG PRO 94 HG2 PRO 94 2.198 9.584 -5.256 767 2HG PRO 94 HG1 PRO 94 3.900 9.455 -5.730 768 1HD PRO 94 HD2 PRO 94 1.730 11.161 -6.898 769 2HD PRO 94 HD1 PRO 94 3.427 11.570 -6.558 770 H TRP 95 HN TRP 95 2.445 7.465 -10.490 771 HA TRP 95 HA TRP 95 -0.380 8.243 -10.705 772 1HB TRP 95 HB2 TRP 95 -0.120 8.006 -13.203 773 2HB TRP 95 HB1 TRP 95 0.670 9.396 -12.478 774 HD1 TRP 95 HD1 TRP 95 3.327 9.463 -12.553 775 HE1 TRP 95 HE1 TRP 95 5.052 8.241 -14.030 776 HE3 TRP 95 HE3 TRP 95 0.378 5.650 -14.219 777 HZ2 TRP 95 HZ2 TRP 95 5.123 5.966 -15.702 778 HZ3 TRP 95 HZ3 TRP 95 1.341 3.996 -15.761 779 HH2 TRP 95 HH2 TRP 95 3.670 4.144 -16.476 780 H GLY 96 HN GLY 96 1.870 5.850 -12.082 781 1HA GLY 96 HA2 GLY 96 1.486 3.646 -12.684 782 2HA GLY 96 HA1 GLY 96 0.883 3.542 -11.043 783 H LYS 97 HN LYS 97 -1.236 3.164 -10.703 784 HA LYS 97 HA LYS 97 -3.395 3.878 -12.257 785 1HB LYS 97 HB2 LYS 97 -1.925 1.974 -13.643 786 2HB LYS 97 HB1 LYS 97 -3.210 1.036 -12.899 787 1HG LYS 97 HG2 LYS 97 -3.796 3.543 -14.430 788 2HG LYS 97 HG1 LYS 97 -3.611 1.984 -15.236 789 1HD LYS 97 HD2 LYS 97 -5.386 1.061 -13.789 790 2HD LYS 97 HD1 LYS 97 -5.597 2.656 -13.065 791 1HE LYS 97 HE2 LYS 97 -7.223 2.770 -14.653 792 2HE LYS 97 HE1 LYS 97 -5.863 3.356 -15.609 793 1HZ LYS 97 HZ1 LYS 97 -7.454 1.368 -16.375 794 2HZ LYS 97 HZ2 LYS 97 -6.245 0.479 -15.594 795 3HZ LYS 97 HZ3 LYS 97 -5.842 1.511 -16.871 796 H GLU 98 HN GLU 98 -2.746 3.515 -9.523 797 HA GLU 98 HA GLU 98 -3.729 1.201 -8.321 798 1HB GLU 98 HB2 GLU 98 -4.237 2.726 -6.359 799 2HB GLU 98 HB1 GLU 98 -2.583 2.760 -6.951 800 1HG GLU 98 HG2 GLU 98 -2.959 4.839 -8.075 801 2HG GLU 98 HG1 GLU 98 -4.681 4.779 -7.703 802 H GLY 99 HN GLY 99 -5.457 4.111 -9.386 803 1HA GLY 99 HA2 GLY 99 -7.679 3.820 -10.327 804 2HA GLY 99 HA1 GLY 99 -7.965 2.579 -9.118 805 H GLN 100 HN GLN 100 -6.552 4.482 -7.136 806 HA GLN 100 HA GLN 100 -8.817 6.332 -6.769 807 1HB GLN 100 HB2 GLN 100 -7.620 4.377 -4.868 808 2HB GLN 100 HB1 GLN 100 -8.169 5.919 -4.225 809 1HG GLN 100 HG2 GLN 100 -10.260 5.215 -4.219 810 2HG GLN 100 HG1 GLN 100 -10.182 4.871 -5.946 811 1HE2 GLN 100 1HE2 GLN 100 -11.675 3.141 -5.328 812 2HE2 GLN 100 2HE2 GLN 100 -11.021 1.640 -4.781 813 HA PRO 101 HA PRO 101 -5.316 9.206 -7.216 814 1HB PRO 101 HB2 PRO 101 -7.705 10.831 -6.409 815 2HB PRO 101 HB1 PRO 101 -6.444 11.216 -7.588 816 1HG PRO 101 HG2 PRO 101 -8.784 10.343 -8.429 817 2HG PRO 101 HG1 PRO 101 -7.296 9.712 -9.163 818 1HD PRO 101 HD2 PRO 101 -9.151 8.414 -7.228 819 2HD PRO 101 HD1 PRO 101 -8.187 7.689 -8.531 820 H GLY 102 HN GLY 102 -4.037 10.245 -5.719 821 1HA GLY 102 HA2 GLY 102 -5.030 10.361 -2.943 822 2HA GLY 102 HA1 GLY 102 -3.471 9.638 -3.304 823 H GLU 103 HN GLU 103 -3.279 11.518 -1.535 824 HA GLU 103 HA GLU 103 -2.029 13.737 -2.967 825 1HB GLU 103 HB2 GLU 103 -4.481 14.180 -2.010 826 2HB GLU 103 HB1 GLU 103 -3.577 14.454 -0.528 827 1HG GLU 103 HG2 GLU 103 -2.168 16.086 -1.807 828 2HG GLU 103 HG1 GLU 103 -3.312 15.917 -3.137 829 H TRP 104 HN TRP 104 -0.455 14.909 -1.641 830 HA TRP 104 HA TRP 104 0.987 13.114 0.064 831 1HB TRP 104 HB2 TRP 104 1.686 16.020 -0.015 832 2HB TRP 104 HB1 TRP 104 2.746 14.616 -0.048 833 HD1 TRP 104 HD1 TRP 104 1.188 13.291 -2.646 834 HE1 TRP 104 HE1 TRP 104 1.733 14.274 -4.962 835 HE3 TRP 104 HE3 TRP 104 3.062 17.818 -1.186 836 HZ2 TRP 104 HZ2 TRP 104 2.815 16.652 -6.029 837 HZ3 TRP 104 HZ3 TRP 104 3.830 19.389 -2.917 838 HH2 TRP 104 HH2 TRP 104 3.709 18.816 -5.288 839 H MET 105 HN MET 105 0.190 12.677 2.019 840 HA MET 105 HA MET 105 -0.633 14.943 3.714 841 1HB MET 105 HB2 MET 105 -2.218 13.505 4.831 842 2HB MET 105 HB1 MET 105 -2.523 13.465 3.100 843 1HG MET 105 HG2 MET 105 -1.756 11.299 2.880 844 2HG MET 105 HG1 MET 105 -0.809 11.373 4.366 845 1HE MET 105 HE1 MET 105 -2.170 11.138 6.978 846 2HE MET 105 HE2 MET 105 -1.267 9.977 6.006 847 3HE MET 105 HE3 MET 105 -2.814 9.517 6.718 848 H SER 106 HN SER 106 -0.349 14.549 6.069 849 HA SER 106 HA SER 106 2.279 13.404 6.532 850 1HB SER 106 HB2 SER 106 1.120 15.650 7.494 851 2HB SER 106 HB1 SER 106 0.749 14.532 8.806 852 HG SER 106 HG SER 106 3.342 14.925 7.721 853 H LEU 107 HN LEU 107 2.476 11.333 7.045 854 HA LEU 107 HA LEU 107 0.339 9.681 7.849 855 1HB LEU 107 HB2 LEU 107 2.707 9.154 6.792 856 2HB LEU 107 HB1 LEU 107 3.153 8.924 8.470 857 HG LEU 107 HG LEU 107 2.508 6.832 7.243 858 1HD1 LEU 107 1HD1 LEU 107 2.260 7.399 9.807 859 2HD1 LEU 107 2HD1 LEU 107 1.684 5.872 9.139 860 3HD1 LEU 107 3HD1 LEU 107 0.548 7.185 9.446 861 1HD2 LEU 107 1HD2 LEU 107 -0.352 7.464 7.585 862 2HD2 LEU 107 2HD2 LEU 107 0.459 6.495 6.355 863 3HD2 LEU 107 3HD2 LEU 107 0.461 8.254 6.233 864 H VAL 108 HN VAL 108 2.370 11.779 9.632 865 HA VAL 108 HA VAL 108 2.550 10.559 12.108 866 HB VAL 108 HB VAL 108 3.679 12.667 11.554 867 1HG1 VAL 108 1HG1 VAL 108 2.459 14.788 11.651 868 2HG1 VAL 108 2HG1 VAL 108 0.944 13.906 11.832 869 3HG1 VAL 108 3HG1 VAL 108 1.875 13.762 10.341 870 1HG2 VAL 108 1HG2 VAL 108 3.467 12.039 13.887 871 2HG2 VAL 108 2HG2 VAL 108 1.893 12.828 13.980 872 3HG2 VAL 108 3HG2 VAL 108 3.348 13.789 13.717 873 H GLY 109 HN GLY 109 -0.265 11.772 10.520 874 1HA GLY 109 HA2 GLY 109 -1.783 11.354 13.017 875 2HA GLY 109 HA1 GLY 109 -2.154 12.671 11.921 876 H LEU 110 HN LEU 110 -1.387 9.282 11.160 877 HA LEU 110 HA LEU 110 -3.468 9.059 9.269 878 1HB LEU 110 HB2 LEU 110 -1.412 7.626 9.372 879 2HB LEU 110 HB1 LEU 110 -2.120 6.800 10.749 880 HG LEU 110 HG LEU 110 -3.769 6.914 8.290 881 1HD1 LEU 110 1HD1 LEU 110 -1.897 6.337 7.096 882 2HD1 LEU 110 2HD1 LEU 110 -2.470 4.752 7.610 883 3HD1 LEU 110 3HD1 LEU 110 -1.137 5.526 8.466 884 1HD2 LEU 110 1HD2 LEU 110 -3.135 4.630 10.142 885 2HD2 LEU 110 2HD2 LEU 110 -4.490 4.775 9.023 886 3HD2 LEU 110 3HD2 LEU 110 -4.412 5.805 10.452 887 H ASN 111 HN ASN 111 -5.463 7.899 9.382 888 HA ASN 111 HA ASN 111 -6.468 7.567 12.124 889 1HB ASN 111 HB2 ASN 111 -7.380 9.315 10.070 890 2HB ASN 111 HB1 ASN 111 -8.633 8.121 10.379 891 1HD2 ASN 111 1HD2 ASN 111 -10.095 9.057 11.617 892 2HD2 ASN 111 2HD2 ASN 111 -9.776 9.956 13.057 893 H ALA 112 HN ALA 112 -7.409 5.738 12.652 894 HA ALA 112 HA ALA 112 -7.468 3.551 10.819 895 1HB ALA 112 HB1 ALA 112 -7.959 2.199 12.633 896 2HB ALA 112 HB2 ALA 112 -8.859 3.468 13.467 897 3HB ALA 112 HB3 ALA 112 -7.098 3.536 13.398 898 H ASP 113 HN ASP 113 -9.637 6.063 11.561 899 HA ASP 113 HA ASP 113 -12.073 4.633 11.048 900 1HB ASP 113 HB2 ASP 113 -11.520 6.972 12.308 901 2HB ASP 113 HB1 ASP 113 -12.067 7.572 10.745 902 H ASP 114 HN ASP 114 -10.143 7.015 9.223 903 HA ASP 114 HA ASP 114 -11.788 6.959 6.921 904 1HB ASP 114 HB2 ASP 114 -9.156 7.629 6.116 905 2HB ASP 114 HB1 ASP 114 -10.518 8.703 6.365 906 H PHE 115 HN PHE 115 -8.918 5.160 7.859 907 HA PHE 115 HA PHE 115 -8.695 3.817 5.329 908 1HB PHE 115 HB2 PHE 115 -6.679 3.112 6.111 909 2HB PHE 115 HB1 PHE 115 -6.949 4.315 7.374 910 HD1 PHE 115 HD1 PHE 115 -5.484 1.408 7.169 911 HD2 PHE 115 HD2 PHE 115 -8.972 2.990 8.995 912 HE1 PHE 115 HE1 PHE 115 -5.388 -0.353 8.882 913 HE2 PHE 115 HE2 PHE 115 -8.883 1.239 10.716 914 HZ PHE 115 HZ PHE 115 -7.091 -0.436 10.653 915 HA PRO 116 HA PRO 116 -11.181 0.246 6.158 916 1HB PRO 116 HB2 PRO 116 -9.684 -1.889 5.478 917 2HB PRO 116 HB1 PRO 116 -10.269 -0.733 4.275 918 1HG PRO 116 HG2 PRO 116 -7.565 -0.953 5.536 919 2HG PRO 116 HG1 PRO 116 -7.989 -0.627 3.846 920 1HD PRO 116 HD2 PRO 116 -7.265 1.314 5.630 921 2HD PRO 116 HD1 PRO 116 -8.319 1.607 4.233 922 HA PRO 117 HA PRO 117 -10.173 -0.783 10.415 923 1HB PRO 117 HB2 PRO 117 -12.309 -2.467 10.816 924 2HB PRO 117 HB1 PRO 117 -12.386 -0.707 10.949 925 1HG PRO 117 HG2 PRO 117 -13.165 -2.472 8.662 926 2HG PRO 117 HG1 PRO 117 -13.998 -1.047 9.313 927 1HD PRO 117 HD2 PRO 117 -12.522 -0.909 7.078 928 2HD PRO 117 HD1 PRO 117 -12.570 0.432 8.242 929 H ALA 118 HN ALA 118 -10.399 -2.975 7.774 930 HA ALA 118 HA ALA 118 -9.858 -5.383 9.178 931 1HB ALA 118 HB1 ALA 118 -10.675 -4.839 6.676 932 2HB ALA 118 HB2 ALA 118 -9.993 -6.389 7.168 933 3HB ALA 118 HB3 ALA 118 -8.973 -5.189 6.376 934 H ASN 119 HN ASN 119 -7.889 -2.711 8.571 935 HA ASN 119 HA ASN 119 -5.478 -4.372 8.909 936 1HB ASN 119 HB2 ASN 119 -6.078 -2.597 6.810 937 2HB ASN 119 HB1 ASN 119 -4.872 -1.779 7.795 938 1HD2 ASN 119 1HD2 ASN 119 -2.902 -2.955 8.276 939 2HD2 ASN 119 2HD2 ASN 119 -2.288 -4.075 7.112 940 H GLU 120 HN GLU 120 -7.199 -3.131 10.970 941 HA GLU 120 HA GLU 120 -5.857 -0.841 11.995 942 1HB GLU 120 HB2 GLU 120 -8.175 -2.379 12.669 943 2HB GLU 120 HB1 GLU 120 -7.202 -2.146 14.114 944 1HG GLU 120 HG2 GLU 120 -7.137 0.341 13.250 945 2HG GLU 120 HG1 GLU 120 -8.621 -0.155 12.438 946 HA PRO 121 HA PRO 121 -3.941 -4.301 14.990 947 1HB PRO 121 HB2 PRO 121 -3.329 -6.168 12.751 948 2HB PRO 121 HB1 PRO 121 -3.744 -6.527 14.432 949 1HG PRO 121 HG2 PRO 121 -5.533 -6.876 12.495 950 2HG PRO 121 HG1 PRO 121 -6.018 -6.224 14.072 951 1HD PRO 121 HD2 PRO 121 -5.629 -4.808 11.472 952 2HD PRO 121 HD1 PRO 121 -6.829 -4.517 12.748 953 H VAL 122 HN VAL 122 -2.965 -3.997 11.592 954 HA VAL 122 HA VAL 122 -0.167 -3.835 12.207 955 HB VAL 122 HB VAL 122 -1.249 -2.862 9.602 956 1HG1 VAL 122 1HG1 VAL 122 0.796 -3.383 8.795 957 2HG1 VAL 122 2HG1 VAL 122 0.945 -4.825 9.798 958 3HG1 VAL 122 3HG1 VAL 122 1.251 -3.233 10.492 959 1HG2 VAL 122 1HG2 VAL 122 -1.386 -5.695 10.576 960 2HG2 VAL 122 2HG2 VAL 122 -1.217 -5.316 8.861 961 3HG2 VAL 122 3HG2 VAL 122 -2.623 -4.740 9.757 962 H ILE 123 HN ILE 123 -2.599 -1.548 11.000 963 HA ILE 123 HA ILE 123 -0.919 0.711 11.019 964 HB ILE 123 HB ILE 123 -3.906 0.378 11.017 965 1HG1 ILE 123 2HG1 ILE 123 -1.953 0.295 9.038 966 2HG1 ILE 123 1HG1 ILE 123 -3.684 0.469 8.784 967 1HG2 ILE 123 1HG2 ILE 123 -3.598 2.393 12.260 968 2HG2 ILE 123 2HG2 ILE 123 -4.046 2.843 10.614 969 3HG2 ILE 123 3HG2 ILE 123 -2.365 2.962 11.133 970 1HD1 ILE 123 1HD1 ILE 123 -2.210 2.133 7.612 971 2HD1 ILE 123 2HD1 ILE 123 -1.864 2.816 9.201 972 3HD1 ILE 123 3HD1 ILE 123 -3.519 2.808 8.585 973 H ALA 124 HN ALA 124 -2.814 -0.836 13.507 974 HA ALA 124 HA ALA 124 -3.041 1.220 15.363 975 1HB ALA 124 HB1 ALA 124 -3.048 -0.618 17.076 976 2HB ALA 124 HB2 ALA 124 -2.686 -1.745 15.769 977 3HB ALA 124 HB3 ALA 124 -4.193 -0.829 15.753 978 H LYS 125 HN LYS 125 -0.329 -0.836 14.548 979 HA LYS 125 HA LYS 125 1.321 -0.159 16.749 980 1HB LYS 125 HB2 LYS 125 1.573 -1.637 14.262 981 2HB LYS 125 HB1 LYS 125 3.030 -0.717 14.613 982 1HG LYS 125 HG2 LYS 125 3.609 -2.050 16.312 983 2HG LYS 125 HG1 LYS 125 1.954 -2.169 16.913 984 1HD LYS 125 HD2 LYS 125 1.496 -4.028 15.679 985 2HD LYS 125 HD1 LYS 125 2.577 -3.556 14.367 986 1HE LYS 125 HE2 LYS 125 4.318 -4.659 15.250 987 2HE LYS 125 HE1 LYS 125 3.948 -4.118 16.888 988 1HZ LYS 125 HZ1 LYS 125 3.703 -6.464 16.815 989 2HZ LYS 125 HZ2 LYS 125 2.725 -6.397 15.436 990 3HZ LYS 125 HZ3 LYS 125 2.146 -5.809 16.912 991 H LEU 126 HN LEU 126 1.184 1.111 13.426 992 HA LEU 126 HA LEU 126 3.131 3.155 13.959 993 1HB LEU 126 HB2 LEU 126 2.386 1.949 11.706 994 2HB LEU 126 HB1 LEU 126 1.304 3.324 11.619 995 HG LEU 126 HG LEU 126 3.207 4.856 11.705 996 1HD1 LEU 126 1HD1 LEU 126 4.916 3.938 12.900 997 2HD1 LEU 126 2HD1 LEU 126 5.487 3.598 11.267 998 3HD1 LEU 126 3HD1 LEU 126 4.692 2.333 12.203 999 1HD2 LEU 126 1HD2 LEU 126 4.204 3.143 9.582 1000 2HD2 LEU 126 2HD2 LEU 126 3.435 4.726 9.492 1001 3HD2 LEU 126 3HD2 LEU 126 2.445 3.269 9.579 1002 H LYS 127 HN LYS 127 -0.335 2.897 14.033 1003 HA LYS 127 HA LYS 127 -1.095 5.563 13.819 1004 1HB LYS 127 HB2 LYS 127 -2.594 3.578 13.891 1005 2HB LYS 127 HB1 LYS 127 -2.344 3.492 15.623 1006 1HG LYS 127 HG2 LYS 127 -3.540 5.422 16.031 1007 2HG LYS 127 HG1 LYS 127 -3.340 6.018 14.382 1008 1HD LYS 127 HD2 LYS 127 -5.002 4.641 13.544 1009 2HD LYS 127 HD1 LYS 127 -4.868 3.497 14.881 1010 1HE LYS 127 HE2 LYS 127 -5.611 5.775 16.176 1011 2HE LYS 127 HE1 LYS 127 -6.460 5.949 14.640 1012 1HZ LYS 127 HZ1 LYS 127 -6.648 3.325 15.842 1013 2HZ LYS 127 HZ2 LYS 127 -7.849 4.280 15.129 1014 3HZ LYS 127 HZ3 LYS 127 -7.387 4.559 16.732 1015 H ARG 128 HN ARG 128 -0.063 3.704 16.638 1016 HA ARG 128 HA ARG 128 -0.418 5.856 18.484 1017 1HB ARG 128 HB2 ARG 128 -0.467 3.524 19.221 1018 2HB ARG 128 HB1 ARG 128 1.199 3.311 18.704 1019 1HG ARG 128 HG2 ARG 128 1.016 5.537 20.501 1020 2HG ARG 128 HG1 ARG 128 0.264 4.113 21.219 1021 1HD ARG 128 HD2 ARG 128 2.401 2.885 20.420 1022 2HD ARG 128 HD1 ARG 128 3.090 4.505 20.310 1023 HE ARG 128 HE ARG 128 2.009 4.400 22.810 1024 1HH1 ARG 128 1HH1 ARG 128 4.313 2.453 21.057 1025 2HH1 ARG 128 2HH1 ARG 128 5.185 1.982 22.477 1026 1HH2 ARG 128 1HH2 ARG 128 3.155 3.783 24.680 1027 2HH2 ARG 128 2HH2 ARG 128 4.528 2.736 24.534 1028 H LEU 129 HN LEU 129 1.722 5.385 16.003 1029 HA LEU 129 HA LEU 129 3.722 6.291 15.405 1030 1HB LEU 129 HB2 LEU 129 3.034 8.305 17.544 1031 2HB LEU 129 HB1 LEU 129 4.206 8.528 16.258 1032 HG LEU 129 HG LEU 129 1.946 7.941 14.835 1033 1HD1 LEU 129 1HD1 LEU 129 0.064 8.975 15.741 1034 2HD1 LEU 129 2HD1 LEU 129 1.001 9.799 16.988 1035 3HD1 LEU 129 3HD1 LEU 129 0.736 8.059 17.090 1036 1HD2 LEU 129 1HD2 LEU 129 2.811 9.772 13.914 1037 2HD2 LEU 129 2HD2 LEU 129 3.574 10.257 15.428 1038 3HD2 LEU 129 3HD2 LEU 129 1.901 10.707 15.100 1039 1HO1 MO2 130 1HO1 MO2 130 -5.148 -2.480 -8.461 1040 2HO1 MO2 130 2HO1 MO2 130 -2.766 -4.990 -11.873 1041 1HO2 MO2 130 1HO2 MO2 130 -5.533 -2.988 -9.833 1042 2HO2 MO2 130 2HO2 MO2 130 -4.216 -4.790 -11.498 1043 1H5* 8OG 131 1H5* ODG 131 -8.601 -3.495 -4.364 1044 2H5* 8OG 131 2H5* ODG 131 -7.501 -4.533 -5.228 1045 H4* 8OG 131 1H4* ODG 131 -7.470 -5.046 -2.866 1046 H3* 8OG 131 1H3* ODG 131 -8.075 -6.962 -4.861 1047 1H2* 8OG 131 1H2* ODG 131 -9.704 -8.198 -3.952 1048 2H2* 8OG 131 2H2* ODG 131 -8.764 -8.393 -2.490 1049 H1* 8OG 131 1H1* ODG 131 -10.037 -6.952 -1.398 1050 H1 8OG 131 H1 ODG 131 -15.750 -7.716 0.160 1051 H7 8OG 131 H7 ODG 131 -14.094 -7.200 -4.515 1052 1H2 8OG 131 H21 ODG 131 -12.907 -7.414 2.177 1053 2H2 8OG 131 H22 ODG 131 -14.621 -7.663 2.121 1054 H3T 8OG 131 *HO1 ODG 131 -6.618 -8.246 -3.584 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -9.539 -23.832 -4.490 2 2H MET 1 HT2 MET 1 -10.787 -23.588 -3.337 3 3H MET 1 HT3 MET 1 -9.670 -24.875 -3.136 4 HA MET 1 HA MET 1 -9.336 -22.872 -1.727 5 1HB MET 1 HB2 MET 1 -7.319 -24.191 -3.507 6 2HB MET 1 HB1 MET 1 -6.798 -22.915 -2.415 7 1HG MET 1 HG2 MET 1 -6.496 -24.592 -0.971 8 2HG MET 1 HG1 MET 1 -8.238 -24.459 -0.728 9 1HE MET 1 HE1 MET 1 -5.742 -26.588 -3.390 10 2HE MET 1 HE2 MET 1 -5.839 -27.893 -2.206 11 3HE MET 1 HE3 MET 1 -5.310 -26.286 -1.706 12 H LYS 2 HN LYS 2 -9.702 -20.759 -1.855 13 HA LYS 2 HA LYS 2 -8.857 -19.322 -4.282 14 1HB LYS 2 HB2 LYS 2 -11.340 -19.388 -3.373 15 2HB LYS 2 HB1 LYS 2 -10.748 -18.124 -2.304 16 1HG LYS 2 HG2 LYS 2 -10.997 -16.624 -3.906 17 2HG LYS 2 HG1 LYS 2 -9.891 -17.524 -4.947 18 1HD LYS 2 HD2 LYS 2 -12.818 -18.184 -4.659 19 2HD LYS 2 HD1 LYS 2 -12.178 -17.115 -5.909 20 1HE LYS 2 HE2 LYS 2 -11.259 -18.819 -7.083 21 2HE LYS 2 HE1 LYS 2 -10.856 -19.740 -5.635 22 1HZ LYS 2 HZ1 LYS 2 -13.207 -20.340 -5.436 23 2HZ LYS 2 HZ2 LYS 2 -12.549 -20.869 -6.902 24 3HZ LYS 2 HZ3 LYS 2 -13.548 -19.505 -6.868 25 H LYS 3 HN LYS 3 -6.865 -18.548 -3.912 26 HA LYS 3 HA LYS 3 -6.424 -17.048 -1.412 27 1HB LYS 3 HB2 LYS 3 -4.030 -17.578 -1.647 28 2HB LYS 3 HB1 LYS 3 -5.012 -19.027 -1.489 29 1HG LYS 3 HG2 LYS 3 -4.594 -18.235 -4.259 30 2HG LYS 3 HG1 LYS 3 -3.093 -18.574 -3.396 31 1HD LYS 3 HD2 LYS 3 -5.281 -20.504 -2.970 32 2HD LYS 3 HD1 LYS 3 -4.601 -20.464 -4.598 33 1HE LYS 3 HE2 LYS 3 -2.750 -20.534 -2.264 34 2HE LYS 3 HE1 LYS 3 -3.582 -22.016 -2.731 35 1HZ LYS 3 HZ1 LYS 3 -1.525 -20.507 -4.161 36 2HZ LYS 3 HZ2 LYS 3 -2.704 -21.290 -5.088 37 3HZ LYS 3 HZ3 LYS 3 -1.738 -22.181 -4.023 38 H LEU 4 HN LEU 4 -5.714 -14.988 -1.553 39 HA LEU 4 HA LEU 4 -4.779 -13.974 -4.131 40 1HB LEU 4 HB2 LEU 4 -6.301 -12.138 -4.157 41 2HB LEU 4 HB1 LEU 4 -7.237 -13.612 -3.994 42 HG LEU 4 HG LEU 4 -6.952 -12.933 -1.386 43 1HD1 LEU 4 1HD1 LEU 4 -6.736 -10.435 -3.005 44 2HD1 LEU 4 2HD1 LEU 4 -5.905 -10.885 -1.517 45 3HD1 LEU 4 3HD1 LEU 4 -7.604 -10.417 -1.470 46 1HD2 LEU 4 1HD2 LEU 4 -9.129 -11.668 -3.001 47 2HD2 LEU 4 2HD2 LEU 4 -9.219 -12.459 -1.428 48 3HD2 LEU 4 3HD2 LEU 4 -9.004 -13.424 -2.890 49 H GLN 5 HN GLN 5 -3.077 -12.678 -3.904 50 HA GLN 5 HA GLN 5 -2.395 -11.748 -1.216 51 1HB GLN 5 HB2 GLN 5 -0.628 -11.909 -3.653 52 2HB GLN 5 HB1 GLN 5 -0.116 -11.570 -2.003 53 1HG GLN 5 HG2 GLN 5 -1.127 -13.856 -1.444 54 2HG GLN 5 HG1 GLN 5 -1.103 -14.132 -3.178 55 1HE2 GLN 5 1HE2 GLN 5 0.497 -14.900 -0.544 56 2HE2 GLN 5 2HE2 GLN 5 2.119 -14.965 -1.133 57 H ILE 6 HN ILE 6 -1.541 -9.669 -0.888 58 HA ILE 6 HA ILE 6 -1.905 -7.670 -2.968 59 HB ILE 6 HB ILE 6 -3.322 -7.557 -0.300 60 1HG1 ILE 6 2HG1 ILE 6 -4.451 -8.882 -2.062 61 2HG1 ILE 6 1HG1 ILE 6 -5.360 -7.439 -1.624 62 1HG2 ILE 6 1HG2 ILE 6 -4.119 -5.346 -1.013 63 2HG2 ILE 6 2HG2 ILE 6 -3.067 -5.439 -2.425 64 3HG2 ILE 6 3HG2 ILE 6 -2.369 -5.396 -0.807 65 1HD1 ILE 6 1HD1 ILE 6 -4.571 -6.310 -3.615 66 2HD1 ILE 6 2HD1 ILE 6 -5.349 -7.837 -4.034 67 3HD1 ILE 6 3HD1 ILE 6 -3.590 -7.712 -4.041 68 H ALA 7 HN ALA 7 -0.279 -6.207 -2.887 69 HA ALA 7 HA ALA 7 1.204 -5.967 -0.341 70 1HB ALA 7 HB1 ALA 7 2.187 -6.569 -3.059 71 2HB ALA 7 HB2 ALA 7 2.854 -7.009 -1.488 72 3HB ALA 7 HB3 ALA 7 3.124 -5.393 -2.139 73 H VAL 8 HN VAL 8 1.251 -3.936 0.415 74 HA VAL 8 HA VAL 8 0.903 -1.756 -1.527 75 HB VAL 8 HB VAL 8 -0.707 -0.720 -0.332 76 1HG1 VAL 8 1HG1 VAL 8 -2.350 -2.196 0.212 77 2HG1 VAL 8 2HG1 VAL 8 -1.275 -3.213 1.172 78 3HG1 VAL 8 3HG1 VAL 8 -1.235 -3.302 -0.589 79 1HG2 VAL 8 1HG2 VAL 8 0.362 -1.895 2.233 80 2HG2 VAL 8 2HG2 VAL 8 -0.893 -0.665 2.088 81 3HG2 VAL 8 3HG2 VAL 8 0.763 -0.297 1.597 82 H GLY 9 HN GLY 9 1.656 0.337 -0.816 83 1HA GLY 9 HA2 GLY 9 3.658 0.375 1.288 84 2HA GLY 9 HA1 GLY 9 4.253 0.615 -0.345 85 H ILE 10 HN ILE 10 3.382 2.236 2.344 86 HA ILE 10 HA ILE 10 1.854 4.374 1.185 87 HB ILE 10 HB ILE 10 3.168 5.374 3.475 88 1HG1 ILE 10 2HG1 ILE 10 2.176 2.552 3.916 89 2HG1 ILE 10 1HG1 ILE 10 3.843 3.099 4.071 90 1HG2 ILE 10 1HG2 ILE 10 0.959 5.424 4.418 91 2HG2 ILE 10 2HG2 ILE 10 0.402 4.212 3.264 92 3HG2 ILE 10 3HG2 ILE 10 0.867 5.818 2.702 93 1HD1 ILE 10 1HD1 ILE 10 3.368 4.332 6.005 94 2HD1 ILE 10 2HD1 ILE 10 2.520 2.798 6.206 95 3HD1 ILE 10 3HD1 ILE 10 1.627 4.244 5.733 96 H ILE 11 HN ILE 11 2.730 5.609 -0.358 97 HA ILE 11 HA ILE 11 5.538 5.957 -0.635 98 HB ILE 11 HB ILE 11 3.803 7.902 -2.025 99 1HG1 ILE 11 2HG1 ILE 11 3.622 4.918 -2.475 100 2HG1 ILE 11 1HG1 ILE 11 2.302 6.051 -2.198 101 1HG2 ILE 11 1HG2 ILE 11 5.413 7.789 -3.624 102 2HG2 ILE 11 2HG2 ILE 11 5.681 6.062 -3.392 103 3HG2 ILE 11 3HG2 ILE 11 6.368 7.220 -2.254 104 1HD1 ILE 11 1HD1 ILE 11 2.608 7.028 -4.357 105 2HD1 ILE 11 2HD1 ILE 11 2.501 5.277 -4.541 106 3HD1 ILE 11 3HD1 ILE 11 4.069 6.079 -4.628 107 H ARG 12 HN ARG 12 6.851 7.397 0.162 108 HA ARG 12 HA ARG 12 5.780 9.562 1.808 109 1HB ARG 12 HB2 ARG 12 8.200 7.905 1.831 110 2HB ARG 12 HB1 ARG 12 8.503 9.607 2.151 111 1HG ARG 12 HG2 ARG 12 6.250 8.816 3.674 112 2HG ARG 12 HG1 ARG 12 7.522 7.619 3.909 113 1HD ARG 12 HD2 ARG 12 9.078 9.609 4.289 114 2HD ARG 12 HD1 ARG 12 7.611 10.574 4.439 115 HE ARG 12 HE ARG 12 8.637 8.641 6.330 116 1HH1 ARG 12 1HH1 ARG 12 5.876 10.514 5.301 117 2HH1 ARG 12 2HH1 ARG 12 5.091 10.433 6.842 118 1HH2 ARG 12 1HH2 ARG 12 7.603 8.532 8.355 119 2HH2 ARG 12 2HH2 ARG 12 6.070 9.307 8.575 120 H ASN 13 HN ASN 13 5.953 11.651 1.295 121 HA ASN 13 HA ASN 13 7.154 12.315 -1.270 122 1HB ASN 13 HB2 ASN 13 6.162 14.600 -0.862 123 2HB ASN 13 HB1 ASN 13 5.013 13.287 -0.984 124 1HD2 ASN 13 1HD2 ASN 13 6.258 15.789 0.937 125 2HD2 ASN 13 2HD2 ASN 13 5.256 15.542 2.320 126 H GLU 14 HN GLU 14 7.933 14.835 -1.085 127 HA GLU 14 HA GLU 14 10.549 14.636 -0.003 128 1HB GLU 14 HB2 GLU 14 10.116 15.771 -2.089 129 2HB GLU 14 HB1 GLU 14 9.030 16.902 -1.288 130 1HG GLU 14 HG2 GLU 14 10.773 18.059 -0.289 131 2HG GLU 14 HG1 GLU 14 11.899 16.713 -0.459 132 H ASN 15 HN ASN 15 7.856 15.172 1.743 133 HA ASN 15 HA ASN 15 9.278 17.001 3.559 134 1HB ASN 15 HB2 ASN 15 7.442 18.177 2.355 135 2HB ASN 15 HB1 ASN 15 6.296 17.045 3.067 136 1HD2 ASN 15 1HD2 ASN 15 8.545 19.636 3.722 137 2HD2 ASN 15 2HD2 ASN 15 7.899 20.067 5.265 138 H ASN 16 HN ASN 16 9.469 14.277 3.855 139 HA ASN 16 HA ASN 16 9.079 12.517 5.258 140 1HB ASN 16 HB2 ASN 16 9.152 13.060 7.593 141 2HB ASN 16 HB1 ASN 16 10.151 14.231 6.740 142 1HD2 ASN 16 1HD2 ASN 16 9.657 16.350 6.845 143 2HD2 ASN 16 2HD2 ASN 16 8.330 16.995 7.746 144 H GLU 17 HN GLU 17 6.726 13.623 3.836 145 HA GLU 17 HA GLU 17 4.615 12.628 5.629 146 1HB GLU 17 HB2 GLU 17 4.157 14.450 3.269 147 2HB GLU 17 HB1 GLU 17 3.031 14.040 4.546 148 1HG GLU 17 HG2 GLU 17 5.081 15.161 5.943 149 2HG GLU 17 HG1 GLU 17 5.093 16.093 4.447 150 H ILE 18 HN ILE 18 2.835 11.475 4.462 151 HA ILE 18 HA ILE 18 3.957 10.021 2.162 152 HB ILE 18 HB ILE 18 3.073 9.065 4.651 153 1HG1 ILE 18 2HG1 ILE 18 3.443 7.043 2.576 154 2HG1 ILE 18 1HG1 ILE 18 4.707 8.264 2.597 155 1HG2 ILE 18 1HG2 ILE 18 0.789 9.051 3.798 156 2HG2 ILE 18 2HG2 ILE 18 1.381 7.409 4.048 157 3HG2 ILE 18 3HG2 ILE 18 1.304 8.081 2.419 158 1HD1 ILE 18 1HD1 ILE 18 3.853 6.564 4.923 159 2HD1 ILE 18 2HD1 ILE 18 5.099 7.812 4.966 160 3HD1 ILE 18 3HD1 ILE 18 5.324 6.377 3.968 161 H PHE 19 HN PHE 19 2.676 9.529 0.422 162 HA PHE 19 HA PHE 19 0.267 11.157 0.144 163 1HB PHE 19 HB2 PHE 19 1.465 11.622 -1.734 164 2HB PHE 19 HB1 PHE 19 2.340 10.099 -1.677 165 HD1 PHE 19 HD1 PHE 19 1.709 8.283 -3.023 166 HD2 PHE 19 HD2 PHE 19 -0.850 11.668 -2.699 167 HE1 PHE 19 HE1 PHE 19 0.348 7.426 -4.885 168 HE2 PHE 19 HE2 PHE 19 -2.216 10.814 -4.560 169 HZ PHE 19 HZ PHE 19 -1.619 8.692 -5.653 170 H ILE 20 HN ILE 20 -1.473 10.089 0.918 171 HA ILE 20 HA ILE 20 -1.969 7.378 -0.112 172 HB ILE 20 HB ILE 20 -3.606 7.713 2.114 173 1HG1 ILE 20 2HG1 ILE 20 -0.820 8.732 2.685 174 2HG1 ILE 20 1HG1 ILE 20 -2.333 9.598 2.920 175 1HG2 ILE 20 1HG2 ILE 20 -0.966 6.272 2.055 176 2HG2 ILE 20 2HG2 ILE 20 -2.429 5.678 1.268 177 3HG2 ILE 20 3HG2 ILE 20 -2.388 5.875 3.020 178 1HD1 ILE 20 1HD1 ILE 20 -1.289 8.716 5.002 179 2HD1 ILE 20 2HD1 ILE 20 -1.603 7.088 4.401 180 3HD1 ILE 20 3HD1 ILE 20 -2.947 8.182 4.728 181 H THR 21 HN THR 21 -4.313 6.858 -0.326 182 HA THR 21 HA THR 21 -5.685 9.089 -1.562 183 HB THR 21 HB THR 21 -5.588 6.794 -2.586 184 HG1 THR 21 HG1 THR 21 -7.246 8.412 -3.043 185 1HG2 THR 21 1HG2 THR 21 -6.528 5.924 -0.119 186 2HG2 THR 21 2HG2 THR 21 -6.364 4.977 -1.598 187 3HG2 THR 21 3HG2 THR 21 -7.896 5.765 -1.220 188 H ARG 22 HN ARG 22 -7.549 10.042 -0.880 189 HA ARG 22 HA ARG 22 -8.642 9.145 1.704 190 1HB ARG 22 HB2 ARG 22 -7.202 11.423 1.422 191 2HB ARG 22 HB1 ARG 22 -8.816 12.031 1.081 192 1HG ARG 22 HG2 ARG 22 -9.491 11.819 3.212 193 2HG ARG 22 HG1 ARG 22 -8.607 10.310 3.453 194 1HD ARG 22 HD2 ARG 22 -6.564 11.472 3.819 195 2HD ARG 22 HD1 ARG 22 -7.264 13.000 3.287 196 HE ARG 22 HE ARG 22 -7.424 11.854 5.896 197 1HH1 ARG 22 1HH1 ARG 22 -9.113 13.881 3.612 198 2HH1 ARG 22 2HH1 ARG 22 -10.000 14.732 4.833 199 1HH2 ARG 22 1HH2 ARG 22 -8.588 12.972 7.503 200 2HH2 ARG 22 2HH2 ARG 22 -9.701 14.217 7.042 201 H ARG 23 HN ARG 23 -10.509 8.215 1.077 202 HA ARG 23 HA ARG 23 -12.632 8.008 0.302 203 1HB ARG 23 HB2 ARG 23 -13.049 10.015 1.606 204 2HB ARG 23 HB1 ARG 23 -12.510 11.023 0.271 205 1HG ARG 23 HG2 ARG 23 -14.481 9.550 -0.904 206 2HG ARG 23 HG1 ARG 23 -15.093 9.734 0.741 207 1HD ARG 23 HD2 ARG 23 -14.365 11.879 -1.235 208 2HD ARG 23 HD1 ARG 23 -15.926 11.580 -0.472 209 HE ARG 23 HE ARG 23 -13.754 13.103 0.591 210 1HH1 ARG 23 1HH1 ARG 23 -16.479 11.102 1.459 211 2HH1 ARG 23 2HH1 ARG 23 -16.671 11.825 3.021 212 1HH2 ARG 23 1HH2 ARG 23 -14.007 14.055 2.646 213 2HH2 ARG 23 2HH2 ARG 23 -15.269 13.500 3.695 214 H ALA 24 HN ALA 24 -12.695 10.845 -1.603 215 HA ALA 24 HA ALA 24 -11.487 9.915 -3.961 216 1HB ALA 24 HB1 ALA 24 -14.393 9.779 -4.432 217 2HB ALA 24 HB2 ALA 24 -13.702 8.450 -3.502 218 3HB ALA 24 HB3 ALA 24 -13.084 8.814 -5.113 219 H ALA 25 HN ALA 25 -13.043 11.039 -5.918 220 HA ALA 25 HA ALA 25 -12.494 13.776 -5.644 221 1HB ALA 25 HB1 ALA 25 -13.876 14.012 -7.727 222 2HB ALA 25 HB2 ALA 25 -14.231 12.288 -7.602 223 3HB ALA 25 HB3 ALA 25 -12.568 12.833 -7.825 224 H ASP 26 HN ASP 26 -15.723 12.288 -5.997 225 HA ASP 26 HA ASP 26 -16.834 14.557 -4.496 226 1HB ASP 26 HB2 ASP 26 -19.039 13.701 -5.465 227 2HB ASP 26 HB1 ASP 26 -17.898 14.414 -6.602 228 H ALA 27 HN ALA 27 -17.208 11.029 -4.828 229 HA ALA 27 HA ALA 27 -17.207 10.540 -2.062 230 1HB ALA 27 HB1 ALA 27 -19.274 11.347 -1.612 231 2HB ALA 27 HB2 ALA 27 -19.763 9.754 -2.189 232 3HB ALA 27 HB3 ALA 27 -19.835 11.143 -3.272 233 H HIS 28 HN HIS 28 -17.280 8.337 -1.571 234 HA HIS 28 HA HIS 28 -18.189 6.314 -3.284 235 1HB HIS 28 HB2 HIS 28 -15.752 7.450 -4.146 236 2HB HIS 28 HB1 HIS 28 -15.347 5.886 -3.449 237 HD1 HIS 28 HD1 HIS 28 -17.825 4.286 -4.363 238 HD2 HIS 28 HD2 HIS 28 -15.654 6.855 -6.804 239 HE1 HIS 28 HE1 HIS 28 -18.274 3.518 -6.715 240 HE2 HIS 28 HE2 HIS 28 -16.884 5.034 -8.169 241 H MET 29 HN MET 29 -15.082 6.487 -1.564 242 HA MET 29 HA MET 29 -16.208 4.930 0.636 243 1HB MET 29 HB2 MET 29 -13.703 4.062 -0.811 244 2HB MET 29 HB1 MET 29 -14.482 3.245 0.538 245 1HG MET 29 HG2 MET 29 -15.356 1.968 -1.078 246 2HG MET 29 HG1 MET 29 -16.516 3.288 -1.217 247 1HE MET 29 HE1 MET 29 -12.792 2.670 -3.755 248 2HE MET 29 HE2 MET 29 -13.829 1.254 -3.570 249 3HE MET 29 HE3 MET 29 -13.148 2.040 -2.146 250 H ALA 30 HN ALA 30 -15.914 6.807 1.883 251 HA ALA 30 HA ALA 30 -13.394 8.121 2.108 252 1HB ALA 30 HB1 ALA 30 -14.403 9.502 3.684 253 2HB ALA 30 HB2 ALA 30 -15.537 8.253 4.197 254 3HB ALA 30 HB3 ALA 30 -15.739 9.037 2.631 255 H ASN 31 HN ASN 31 -14.747 5.296 3.539 256 HA ASN 31 HA ASN 31 -12.848 5.323 5.753 257 1HB ASN 31 HB2 ASN 31 -15.394 4.519 5.728 258 2HB ASN 31 HB1 ASN 31 -14.637 2.995 5.276 259 1HD2 ASN 31 1HD2 ASN 31 -15.975 4.223 7.772 260 2HD2 ASN 31 2HD2 ASN 31 -14.918 3.744 9.051 261 H LYS 32 HN LYS 32 -12.274 4.814 2.737 262 HA LYS 32 HA LYS 32 -10.857 2.271 3.121 263 1HB LYS 32 HB2 LYS 32 -12.549 3.157 0.999 264 2HB LYS 32 HB1 LYS 32 -10.928 2.916 0.364 265 1HG LYS 32 HG2 LYS 32 -11.046 0.688 0.558 266 2HG LYS 32 HG1 LYS 32 -11.877 0.766 2.112 267 1HD LYS 32 HD2 LYS 32 -13.452 1.658 -0.209 268 2HD LYS 32 HD1 LYS 32 -13.031 -0.055 -0.195 269 1HE LYS 32 HE2 LYS 32 -13.861 0.019 2.259 270 2HE LYS 32 HE1 LYS 32 -14.659 1.513 1.768 271 1HZ LYS 32 HZ1 LYS 32 -15.011 -0.945 0.181 272 2HZ LYS 32 HZ2 LYS 32 -16.030 0.399 0.306 273 3HZ LYS 32 HZ3 LYS 32 -15.926 -0.704 1.584 274 H LEU 33 HN LEU 33 -9.964 4.960 3.836 275 HA LEU 33 HA LEU 33 -8.095 6.067 2.117 276 1HB LEU 33 HB2 LEU 33 -8.896 6.784 4.483 277 2HB LEU 33 HB1 LEU 33 -7.562 5.807 5.058 278 HG LEU 33 HG LEU 33 -7.360 8.224 3.266 279 1HD1 LEU 33 1HD1 LEU 33 -5.902 8.870 5.367 280 2HD1 LEU 33 2HD1 LEU 33 -6.992 7.739 6.171 281 3HD1 LEU 33 3HD1 LEU 33 -7.644 9.145 5.329 282 1HD2 LEU 33 1HD2 LEU 33 -5.661 6.645 2.628 283 2HD2 LEU 33 2HD2 LEU 33 -5.228 6.369 4.315 284 3HD2 LEU 33 3HD2 LEU 33 -4.914 7.935 3.569 285 H GLU 34 HN GLU 34 -7.117 4.297 0.973 286 HA GLU 34 HA GLU 34 -4.995 2.958 2.517 287 1HB GLU 34 HB2 GLU 34 -7.092 1.692 1.258 288 2HB GLU 34 HB1 GLU 34 -5.807 1.583 0.063 289 1HG GLU 34 HG2 GLU 34 -4.949 0.918 2.770 290 2HG GLU 34 HG1 GLU 34 -6.209 -0.142 2.139 291 H PHE 35 HN PHE 35 -3.292 2.026 0.860 292 HA PHE 35 HA PHE 35 -2.647 4.212 -1.002 293 1HB PHE 35 HB2 PHE 35 -0.214 3.056 -0.372 294 2HB PHE 35 HB1 PHE 35 -0.845 4.561 0.279 295 HD1 PHE 35 HD1 PHE 35 0.743 1.712 1.194 296 HD2 PHE 35 HD2 PHE 35 -2.687 3.979 2.287 297 HE1 PHE 35 HE1 PHE 35 0.839 0.762 3.460 298 HE2 PHE 35 HE2 PHE 35 -2.596 3.035 4.554 299 HZ PHE 35 HZ PHE 35 -0.831 1.424 5.144 300 HA PRO 36 HA PRO 36 -1.949 1.708 -4.551 301 1HB PRO 36 HB2 PRO 36 0.848 1.920 -4.843 302 2HB PRO 36 HB1 PRO 36 -0.374 2.952 -5.588 303 1HG PRO 36 HG2 PRO 36 1.247 3.402 -3.132 304 2HG PRO 36 HG1 PRO 36 0.670 4.572 -4.334 305 1HD PRO 36 HD2 PRO 36 -0.482 4.390 -1.938 306 2HD PRO 36 HD1 PRO 36 -1.457 4.671 -3.396 307 H GLY 37 HN GLY 37 -0.773 -0.239 -5.383 308 1HA GLY 37 HA2 GLY 37 0.606 -2.150 -4.951 309 2HA GLY 37 HA1 GLY 37 0.422 -1.833 -3.249 310 H GLY 38 HN GLY 38 -1.658 -2.367 -5.976 311 1HA GLY 38 HA2 GLY 38 -3.071 -4.484 -4.506 312 2HA GLY 38 HA1 GLY 38 -3.960 -3.230 -5.369 313 H LYS 39 HN LYS 39 -2.677 -6.326 -5.585 314 HA LYS 39 HA LYS 39 -3.405 -7.680 -7.441 315 1HB LYS 39 HB2 LYS 39 -4.001 -5.745 -8.866 316 2HB LYS 39 HB1 LYS 39 -2.292 -5.470 -9.176 317 1HG LYS 39 HG2 LYS 39 -2.236 -7.017 -10.764 318 2HG LYS 39 HG1 LYS 39 -3.057 -8.201 -9.745 319 1HD LYS 39 HD2 LYS 39 -4.815 -6.067 -10.689 320 2HD LYS 39 HD1 LYS 39 -4.103 -7.016 -11.995 321 1HE LYS 39 HE2 LYS 39 -5.321 -8.832 -11.496 322 2HE LYS 39 HE1 LYS 39 -5.086 -8.626 -9.760 323 1HZ LYS 39 HZ1 LYS 39 -7.284 -8.184 -9.870 324 2HZ LYS 39 HZ2 LYS 39 -7.231 -7.647 -11.473 325 3HZ LYS 39 HZ3 LYS 39 -6.736 -6.623 -10.223 326 H ILE 40 HN ILE 40 -0.689 -6.700 -6.010 327 HA ILE 40 HA ILE 40 1.421 -7.486 -7.638 328 HB ILE 40 HB ILE 40 2.793 -7.567 -5.803 329 1HG1 ILE 40 2HG1 ILE 40 0.789 -7.981 -3.672 330 2HG1 ILE 40 1HG1 ILE 40 1.027 -9.361 -4.737 331 1HG2 ILE 40 1HG2 ILE 40 2.384 -5.597 -4.781 332 2HG2 ILE 40 2HG2 ILE 40 0.726 -6.028 -4.369 333 3HG2 ILE 40 3HG2 ILE 40 1.119 -5.508 -6.004 334 1HD1 ILE 40 1HD1 ILE 40 2.962 -9.869 -3.804 335 2HD1 ILE 40 2HD1 ILE 40 2.533 -8.728 -2.533 336 3HD1 ILE 40 3HD1 ILE 40 3.537 -8.204 -3.886 337 H GLU 41 HN GLU 41 -0.939 -9.304 -5.995 338 HA GLU 41 HA GLU 41 0.076 -11.784 -5.640 339 1HB GLU 41 HB2 GLU 41 -2.294 -12.563 -6.435 340 2HB GLU 41 HB1 GLU 41 -2.115 -11.598 -4.981 341 1HG GLU 41 HG2 GLU 41 -3.456 -10.050 -5.796 342 2HG GLU 41 HG1 GLU 41 -2.428 -9.835 -7.203 343 H MET 42 HN MET 42 -1.922 -11.337 -8.526 344 HA MET 42 HA MET 42 -1.847 -12.482 -10.521 345 1HB MET 42 HB2 MET 42 0.807 -11.067 -10.339 346 2HB MET 42 HB1 MET 42 0.265 -11.871 -11.806 347 1HG MET 42 HG2 MET 42 -1.243 -9.674 -10.412 348 2HG MET 42 HG1 MET 42 -0.153 -9.434 -11.776 349 1HE MET 42 HE1 MET 42 -0.347 -10.002 -13.878 350 2HE MET 42 HE2 MET 42 -1.889 -9.882 -14.727 351 3HE MET 42 HE3 MET 42 -1.198 -11.466 -14.372 352 H GLY 43 HN GLY 43 1.619 -12.844 -9.952 353 1HA GLY 43 HA2 GLY 43 1.559 -15.532 -9.085 354 2HA GLY 43 HA1 GLY 43 1.729 -15.478 -10.825 355 H GLU 44 HN GLU 44 3.048 -13.095 -8.666 356 HA GLU 44 HA GLU 44 5.723 -13.787 -9.640 357 1HB GLU 44 HB2 GLU 44 4.400 -11.326 -8.745 358 2HB GLU 44 HB1 GLU 44 6.042 -11.510 -8.146 359 1HG GLU 44 HG2 GLU 44 6.589 -10.525 -10.079 360 2HG GLU 44 HG1 GLU 44 6.400 -12.149 -10.738 361 H THR 45 HN THR 45 7.363 -12.831 -7.675 362 HA THR 45 HA THR 45 6.855 -14.741 -5.501 363 HB THR 45 HB THR 45 9.532 -13.678 -5.493 364 HG1 THR 45 HG1 THR 45 10.202 -14.144 -7.500 365 1HG2 THR 45 1HG2 THR 45 9.739 -16.261 -6.373 366 2HG2 THR 45 2HG2 THR 45 8.222 -16.269 -5.473 367 3HG2 THR 45 3HG2 THR 45 9.708 -15.738 -4.689 368 HA PRO 46 HA PRO 46 6.381 -11.832 -2.237 369 1HB PRO 46 HB2 PRO 46 8.759 -12.378 -0.781 370 2HB PRO 46 HB1 PRO 46 7.150 -13.038 -0.491 371 1HG PRO 46 HG2 PRO 46 9.437 -14.220 -1.969 372 2HG PRO 46 HG1 PRO 46 8.172 -15.021 -1.019 373 1HD PRO 46 HD2 PRO 46 8.138 -15.110 -3.678 374 2HD PRO 46 HD1 PRO 46 6.630 -14.920 -2.764 375 H GLU 47 HN GLU 47 9.421 -11.971 -3.959 376 HA GLU 47 HA GLU 47 10.171 -9.304 -3.073 377 1HB GLU 47 HB2 GLU 47 11.538 -11.556 -4.422 378 2HB GLU 47 HB1 GLU 47 12.085 -9.941 -4.855 379 1HG GLU 47 HG2 GLU 47 13.461 -10.275 -3.105 380 2HG GLU 47 HG1 GLU 47 12.070 -9.676 -2.202 381 H GLN 48 HN GLN 48 9.789 -10.921 -6.267 382 HA GLN 48 HA GLN 48 9.692 -8.358 -7.579 383 1HB GLN 48 HB2 GLN 48 9.444 -9.642 -9.642 384 2HB GLN 48 HB1 GLN 48 10.774 -10.252 -8.667 385 1HG GLN 48 HG2 GLN 48 9.268 -12.039 -7.835 386 2HG GLN 48 HG1 GLN 48 8.042 -11.468 -8.964 387 1HE2 GLN 48 1HE2 GLN 48 11.301 -12.775 -8.735 388 2HE2 GLN 48 2HE2 GLN 48 11.316 -13.505 -10.301 389 H ALA 49 HN ALA 49 7.377 -10.062 -5.910 390 HA ALA 49 HA ALA 49 5.135 -9.854 -7.595 391 1HB ALA 49 HB1 ALA 49 3.805 -10.061 -5.538 392 2HB ALA 49 HB2 ALA 49 5.271 -9.836 -4.584 393 3HB ALA 49 HB3 ALA 49 5.100 -11.254 -5.620 394 H VAL 50 HN VAL 50 6.123 -7.742 -4.906 395 HA VAL 50 HA VAL 50 4.233 -5.725 -5.692 396 HB VAL 50 HB VAL 50 4.553 -5.756 -3.384 397 1HG1 VAL 50 1HG1 VAL 50 6.494 -7.060 -3.101 398 2HG1 VAL 50 2HG1 VAL 50 6.860 -5.500 -2.364 399 3HG1 VAL 50 3HG1 VAL 50 7.500 -5.892 -3.959 400 1HG2 VAL 50 1HG2 VAL 50 6.353 -3.536 -4.340 401 2HG2 VAL 50 2HG2 VAL 50 5.436 -3.581 -2.830 402 3HG2 VAL 50 3HG2 VAL 50 4.590 -3.492 -4.377 403 H VAL 51 HN VAL 51 7.756 -6.086 -5.854 404 HA VAL 51 HA VAL 51 8.472 -3.565 -6.688 405 HB VAL 51 HB VAL 51 9.662 -6.147 -7.722 406 1HG1 VAL 51 1HG1 VAL 51 10.362 -3.325 -8.050 407 2HG1 VAL 51 2HG1 VAL 51 10.857 -4.735 -8.988 408 3HG1 VAL 51 3HG1 VAL 51 11.696 -4.333 -7.488 409 1HG2 VAL 51 1HG2 VAL 51 9.450 -5.555 -5.123 410 2HG2 VAL 51 2HG2 VAL 51 10.915 -4.650 -5.497 411 3HG2 VAL 51 3HG2 VAL 51 10.850 -6.385 -5.803 412 H ARG 52 HN ARG 52 7.028 -6.152 -8.576 413 HA ARG 52 HA ARG 52 7.357 -4.737 -11.046 414 1HB ARG 52 HB2 ARG 52 6.395 -7.353 -10.229 415 2HB ARG 52 HB1 ARG 52 5.365 -6.639 -11.459 416 1HG ARG 52 HG2 ARG 52 6.806 -7.419 -12.952 417 2HG ARG 52 HG1 ARG 52 7.923 -6.172 -12.395 418 1HD ARG 52 HD2 ARG 52 9.235 -7.652 -11.325 419 2HD ARG 52 HD1 ARG 52 7.865 -8.591 -10.736 420 HE ARG 52 HE ARG 52 8.246 -10.042 -12.441 421 1HH1 ARG 52 1HH1 ARG 52 9.482 -6.921 -13.395 422 2HH1 ARG 52 2HH1 ARG 52 10.098 -7.489 -14.911 423 1HH2 ARG 52 1HH2 ARG 52 9.058 -10.792 -14.432 424 2HH2 ARG 52 2HH2 ARG 52 9.857 -9.687 -15.499 425 H GLU 53 HN GLU 53 4.575 -5.526 -8.984 426 HA GLU 53 HA GLU 53 2.690 -4.049 -10.454 427 1HB GLU 53 HB2 GLU 53 2.803 -5.418 -7.880 428 2HB GLU 53 HB1 GLU 53 1.785 -3.985 -7.835 429 1HG GLU 53 HG2 GLU 53 1.527 -6.284 -9.759 430 2HG GLU 53 HG1 GLU 53 0.490 -5.957 -8.373 431 H LEU 54 HN LEU 54 5.202 -3.069 -8.334 432 HA LEU 54 HA LEU 54 4.202 -0.690 -7.282 433 1HB LEU 54 HB2 LEU 54 6.588 -2.016 -7.189 434 2HB LEU 54 HB1 LEU 54 7.010 -0.613 -8.152 435 HG LEU 54 HG LEU 54 5.951 0.777 -6.288 436 1HD1 LEU 54 1HD1 LEU 54 4.903 -0.353 -4.694 437 2HD1 LEU 54 2HD1 LEU 54 6.487 -0.899 -4.140 438 3HD1 LEU 54 3HD1 LEU 54 5.555 -1.886 -5.264 439 1HD2 LEU 54 1HD2 LEU 54 8.177 1.093 -6.266 440 2HD2 LEU 54 2HD2 LEU 54 8.532 -0.634 -6.332 441 3HD2 LEU 54 3HD2 LEU 54 8.088 0.118 -4.799 442 H GLN 55 HN GLN 55 5.832 -1.330 -10.356 443 HA GLN 55 HA GLN 55 5.830 1.355 -11.256 444 1HB GLN 55 HB2 GLN 55 6.612 -1.219 -12.276 445 2HB GLN 55 HB1 GLN 55 5.703 -0.355 -13.508 446 1HG GLN 55 HG2 GLN 55 8.125 0.021 -13.661 447 2HG GLN 55 HG1 GLN 55 7.218 1.508 -13.390 448 1HE2 GLN 55 1HE2 GLN 55 9.006 -1.017 -11.677 449 2HE2 GLN 55 2HE2 GLN 55 9.642 0.020 -10.451 450 H GLU 56 HN GLU 56 3.465 -1.176 -11.218 451 HA GLU 56 HA GLU 56 1.711 0.002 -13.156 452 1HB GLU 56 HB2 GLU 56 1.920 -2.485 -12.217 453 2HB GLU 56 HB1 GLU 56 0.684 -1.902 -11.116 454 1HG GLU 56 HG2 GLU 56 0.288 -1.381 -14.003 455 2HG GLU 56 HG1 GLU 56 0.108 -3.042 -13.439 456 H GLU 57 HN GLU 57 2.132 0.189 -9.682 457 HA GLU 57 HA GLU 57 -0.285 1.845 -9.532 458 1HB GLU 57 HB2 GLU 57 0.571 -0.257 -7.902 459 2HB GLU 57 HB1 GLU 57 0.800 1.200 -6.943 460 1HG GLU 57 HG2 GLU 57 -1.358 1.168 -6.468 461 2HG GLU 57 HG1 GLU 57 -1.695 1.488 -8.167 462 H VAL 58 HN VAL 58 2.809 2.394 -10.068 463 HA VAL 58 HA VAL 58 2.766 4.917 -8.565 464 HB VAL 58 HB VAL 58 5.254 3.235 -8.950 465 1HG1 VAL 58 1HG1 VAL 58 4.763 5.993 -8.097 466 2HG1 VAL 58 2HG1 VAL 58 6.232 5.239 -8.717 467 3HG1 VAL 58 3HG1 VAL 58 5.805 5.072 -7.015 468 1HG2 VAL 58 1HG2 VAL 58 5.126 2.514 -6.776 469 2HG2 VAL 58 2HG2 VAL 58 3.421 2.511 -7.231 470 3HG2 VAL 58 3HG2 VAL 58 4.080 3.844 -6.282 471 H GLY 59 HN GLY 59 4.181 3.040 -11.200 472 1HA GLY 59 HA2 GLY 59 4.679 3.608 -13.346 473 2HA GLY 59 HA1 GLY 59 3.721 5.046 -13.119 474 H ILE 60 HN ILE 60 5.257 6.192 -11.080 475 HA ILE 60 HA ILE 60 7.329 7.376 -12.639 476 HB ILE 60 HB ILE 60 7.771 8.376 -10.166 477 1HG1 ILE 60 2HG1 ILE 60 4.805 8.327 -10.149 478 2HG1 ILE 60 1HG1 ILE 60 5.668 6.936 -9.505 479 1HG2 ILE 60 1HG2 ILE 60 6.696 10.345 -10.906 480 2HG2 ILE 60 2HG2 ILE 60 5.602 9.433 -11.946 481 3HG2 ILE 60 3HG2 ILE 60 7.316 9.538 -12.346 482 1HD1 ILE 60 1HD1 ILE 60 5.281 8.308 -7.663 483 2HD1 ILE 60 2HD1 ILE 60 5.736 9.765 -8.545 484 3HD1 ILE 60 3HD1 ILE 60 6.968 8.590 -8.089 485 H THR 61 HN THR 61 9.409 7.911 -11.169 486 HA THR 61 HA THR 61 10.533 5.308 -10.413 487 HB THR 61 HB THR 61 12.673 6.807 -10.911 488 HG1 THR 61 HG1 THR 61 12.283 8.518 -12.037 489 1HG2 THR 61 1HG2 THR 61 12.780 5.954 -13.154 490 2HG2 THR 61 2HG2 THR 61 11.036 5.679 -13.162 491 3HG2 THR 61 3HG2 THR 61 12.078 4.722 -12.105 492 HA PRO 62 HA PRO 62 10.996 7.799 -6.613 493 1HB PRO 62 HB2 PRO 62 9.223 6.627 -5.102 494 2HB PRO 62 HB1 PRO 62 8.659 7.458 -6.557 495 1HG PRO 62 HG2 PRO 62 8.978 4.537 -6.063 496 2HG PRO 62 HG1 PRO 62 7.742 5.388 -7.005 497 1HD PRO 62 HD2 PRO 62 10.187 4.218 -7.957 498 2HD PRO 62 HD1 PRO 62 8.969 5.115 -8.879 499 H GLN 63 HN GLN 63 12.292 7.440 -4.807 500 HA GLN 63 HA GLN 63 13.578 4.861 -4.568 501 1HB GLN 63 HB2 GLN 63 13.711 7.080 -2.523 502 2HB GLN 63 HB1 GLN 63 14.909 5.837 -2.857 503 1HG GLN 63 HG2 GLN 63 15.499 6.870 -4.930 504 2HG GLN 63 HG1 GLN 63 14.183 8.031 -4.776 505 1HE2 GLN 63 1HE2 GLN 63 16.658 6.874 -2.515 506 2HE2 GLN 63 2HE2 GLN 63 17.290 8.437 -2.136 507 H HIS 64 HN HIS 64 11.641 3.719 -4.363 508 HA HIS 64 HA HIS 64 10.336 3.906 -1.735 509 1HB HIS 64 HB2 HIS 64 8.708 4.537 -3.294 510 2HB HIS 64 HB1 HIS 64 9.338 3.462 -4.500 511 HD1 HIS 64 HD1 HIS 64 8.600 1.922 -1.212 512 HD2 HIS 64 HD2 HIS 64 6.694 2.498 -4.852 513 HE1 HIS 64 HE1 HIS 64 6.640 0.355 -1.195 514 HE2 HIS 64 HE2 HIS 64 5.387 0.891 -3.308 515 H PHE 65 HN PHE 65 10.435 2.170 -0.474 516 HA PHE 65 HA PHE 65 10.332 -0.494 -1.354 517 1HB PHE 65 HB2 PHE 65 12.710 0.525 -2.000 518 2HB PHE 65 HB1 PHE 65 13.058 0.099 -0.333 519 HD1 PHE 65 HD1 PHE 65 14.431 -1.773 -0.399 520 HD2 PHE 65 HD2 PHE 65 10.991 -1.623 -2.900 521 HE1 PHE 65 HE1 PHE 65 14.843 -4.095 -1.100 522 HE2 PHE 65 HE2 PHE 65 11.396 -3.944 -3.604 523 HZ PHE 65 HZ PHE 65 13.323 -5.184 -2.707 524 H SER 66 HN SER 66 12.399 -1.168 0.831 525 HA SER 66 HA SER 66 12.385 -1.758 3.009 526 1HB SER 66 HB2 SER 66 11.633 1.068 2.920 527 2HB SER 66 HB1 SER 66 11.103 0.250 4.389 528 HG SER 66 HG SER 66 13.686 0.735 3.444 529 H LEU 67 HN LEU 67 11.088 -2.439 4.826 530 HA LEU 67 HA LEU 67 8.262 -2.846 4.109 531 1HB LEU 67 HB2 LEU 67 9.441 -4.931 3.869 532 2HB LEU 67 HB1 LEU 67 10.185 -4.745 5.446 533 HG LEU 67 HG LEU 67 7.233 -4.783 5.439 534 1HD1 LEU 67 1HD1 LEU 67 7.578 -7.419 5.465 535 2HD1 LEU 67 2HD1 LEU 67 8.863 -6.994 4.333 536 3HD1 LEU 67 3HD1 LEU 67 7.196 -6.528 3.991 537 1HD2 LEU 67 1HD2 LEU 67 8.698 -6.649 7.126 538 2HD2 LEU 67 2HD2 LEU 67 7.548 -5.387 7.565 539 3HD2 LEU 67 3HD2 LEU 67 9.245 -4.982 7.307 540 H PHE 68 HN PHE 68 7.075 -1.599 5.408 541 HA PHE 68 HA PHE 68 7.981 -0.821 8.015 542 1HB PHE 68 HB2 PHE 68 6.629 0.895 7.544 543 2HB PHE 68 HB1 PHE 68 5.991 0.046 6.144 544 HD1 PHE 68 HD1 PHE 68 3.939 -1.263 6.324 545 HD2 PHE 68 HD2 PHE 68 5.411 1.005 9.602 546 HE1 PHE 68 HE1 PHE 68 1.735 -1.412 7.405 547 HE2 PHE 68 HE2 PHE 68 3.214 0.855 10.697 548 HZ PHE 68 HZ PHE 68 1.366 -0.345 9.594 549 H GLU 69 HN GLU 69 5.489 -2.965 6.724 550 HA GLU 69 HA GLU 69 5.646 -4.745 8.911 551 1HB GLU 69 HB2 GLU 69 3.829 -2.525 9.211 552 2HB GLU 69 HB1 GLU 69 2.935 -4.038 9.168 553 1HG GLU 69 HG2 GLU 69 4.311 -4.911 10.980 554 2HG GLU 69 HG1 GLU 69 5.226 -3.405 11.014 555 H LYS 70 HN LYS 70 3.924 -6.469 8.757 556 HA LYS 70 HA LYS 70 2.670 -6.631 6.122 557 1HB LYS 70 HB2 LYS 70 3.553 -8.973 5.856 558 2HB LYS 70 HB1 LYS 70 4.758 -7.704 5.693 559 1HG LYS 70 HG2 LYS 70 4.372 -8.945 8.364 560 2HG LYS 70 HG1 LYS 70 5.216 -9.865 7.117 561 1HD LYS 70 HD2 LYS 70 7.060 -8.620 7.318 562 2HD LYS 70 HD1 LYS 70 6.139 -7.115 7.263 563 1HE LYS 70 HE2 LYS 70 7.459 -7.567 9.383 564 2HE LYS 70 HE1 LYS 70 5.759 -7.142 9.585 565 1HZ LYS 70 HZ1 LYS 70 6.708 -9.114 10.900 566 2HZ LYS 70 HZ2 LYS 70 6.582 -9.969 9.446 567 3HZ LYS 70 HZ3 LYS 70 5.200 -9.296 10.152 568 H LEU 71 HN LEU 71 0.708 -7.559 6.191 569 HA LEU 71 HA LEU 71 -0.041 -8.992 8.655 570 1HB LEU 71 HB2 LEU 71 -1.196 -6.905 8.588 571 2HB LEU 71 HB1 LEU 71 -1.643 -7.131 6.909 572 HG LEU 71 HG LEU 71 -2.936 -9.215 7.829 573 1HD1 LEU 71 1HD1 LEU 71 -2.303 -7.634 10.269 574 2HD1 LEU 71 2HD1 LEU 71 -2.414 -9.381 10.052 575 3HD1 LEU 71 3HD1 LEU 71 -3.882 -8.408 10.139 576 1HD2 LEU 71 1HD2 LEU 71 -4.816 -7.997 7.548 577 2HD2 LEU 71 2HD2 LEU 71 -3.673 -6.780 6.980 578 3HD2 LEU 71 3HD2 LEU 71 -4.279 -6.717 8.636 579 H GLU 72 HN GLU 72 -0.612 -11.048 8.402 580 HA GLU 72 HA GLU 72 -1.541 -11.933 5.754 581 1HB GLU 72 HB2 GLU 72 0.588 -12.889 5.939 582 2HB GLU 72 HB1 GLU 72 0.412 -13.183 7.662 583 1HG GLU 72 HG2 GLU 72 -0.916 -15.061 7.331 584 2HG GLU 72 HG1 GLU 72 -1.293 -14.617 5.667 585 H TYR 73 HN TYR 73 -3.646 -12.336 5.909 586 HA TYR 73 HA TYR 73 -4.586 -14.073 8.071 587 1HB TYR 73 HB2 TYR 73 -5.081 -11.733 8.737 588 2HB TYR 73 HB1 TYR 73 -6.007 -11.528 7.254 589 HD1 TYR 73 HD1 TYR 73 -5.882 -13.358 10.468 590 HD2 TYR 73 HD2 TYR 73 -8.248 -12.284 7.099 591 HE1 TYR 73 HE1 TYR 73 -7.885 -14.209 11.611 592 HE2 TYR 73 HE2 TYR 73 -10.258 -13.132 8.233 593 HH TYR 73 HH TYR 73 -11.057 -13.613 10.451 594 H GLU 74 HN GLU 74 -6.519 -15.241 7.564 595 HA GLU 74 HA GLU 74 -7.060 -15.338 4.670 596 1HB GLU 74 HB2 GLU 74 -7.896 -17.743 5.338 597 2HB GLU 74 HB1 GLU 74 -6.197 -17.429 5.022 598 1HG GLU 74 HG2 GLU 74 -5.971 -17.067 7.527 599 2HG GLU 74 HG1 GLU 74 -7.571 -17.792 7.662 600 H PHE 75 HN PHE 75 -9.088 -15.367 3.941 601 HA PHE 75 HA PHE 75 -11.209 -14.769 5.877 602 1HB PHE 75 HB2 PHE 75 -10.485 -13.661 3.322 603 2HB PHE 75 HB1 PHE 75 -12.128 -14.285 3.246 604 HD1 PHE 75 HD1 PHE 75 -13.581 -12.509 3.371 605 HD2 PHE 75 HD2 PHE 75 -10.223 -12.622 5.983 606 HE1 PHE 75 HE1 PHE 75 -14.399 -10.484 4.505 607 HE2 PHE 75 HE2 PHE 75 -11.036 -10.598 7.123 608 HZ PHE 75 HZ PHE 75 -13.126 -9.527 6.384 609 HA PRO 76 HA PRO 76 -13.798 -18.293 5.339 610 1HB PRO 76 HB2 PRO 76 -15.630 -16.675 3.641 611 2HB PRO 76 HB1 PRO 76 -15.991 -17.669 5.054 612 1HG PRO 76 HG2 PRO 76 -15.838 -14.953 5.119 613 2HG PRO 76 HG1 PRO 76 -15.512 -15.990 6.517 614 1HD PRO 76 HD2 PRO 76 -13.667 -14.382 4.929 615 2HD PRO 76 HD1 PRO 76 -13.416 -15.135 6.511 616 H ASP 77 HN ASP 77 -12.084 -19.133 3.922 617 HA ASP 77 HA ASP 77 -11.532 -20.392 2.091 618 1HB ASP 77 HB2 ASP 77 -14.155 -20.594 1.967 619 2HB ASP 77 HB1 ASP 77 -13.971 -19.514 0.590 620 H ARG 78 HN ARG 78 -11.169 -17.417 2.441 621 HA ARG 78 HA ARG 78 -10.186 -16.882 -0.262 622 1HB ARG 78 HB2 ARG 78 -12.425 -15.686 0.437 623 2HB ARG 78 HB1 ARG 78 -11.350 -14.643 1.356 624 1HG ARG 78 HG2 ARG 78 -10.075 -14.498 -0.946 625 2HG ARG 78 HG1 ARG 78 -11.662 -14.933 -1.584 626 1HD ARG 78 HD2 ARG 78 -12.562 -13.039 -0.118 627 2HD ARG 78 HD1 ARG 78 -10.881 -12.523 0.028 628 HE ARG 78 HE ARG 78 -11.334 -12.821 -2.668 629 1HH1 ARG 78 1HH1 ARG 78 -12.701 -10.914 -0.085 630 2HH1 ARG 78 2HH1 ARG 78 -13.145 -9.600 -1.121 631 1HH2 ARG 78 1HH2 ARG 78 -11.917 -11.094 -4.033 632 2HH2 ARG 78 2HH2 ARG 78 -12.701 -9.702 -3.363 633 H HIS 79 HN HIS 79 -8.062 -17.268 0.361 634 HA HIS 79 HA HIS 79 -6.938 -16.135 2.731 635 1HB HIS 79 HB2 HIS 79 -6.215 -18.178 1.064 636 2HB HIS 79 HB1 HIS 79 -5.069 -16.926 0.598 637 HD1 HIS 79 HD1 HIS 79 -3.984 -15.737 2.965 638 HD2 HIS 79 HD2 HIS 79 -5.186 -19.714 3.019 639 HE1 HIS 79 HE1 HIS 79 -2.767 -16.781 4.902 640 HE2 HIS 79 HE2 HIS 79 -3.445 -19.207 4.864 641 H ILE 80 HN ILE 80 -7.023 -13.942 2.782 642 HA ILE 80 HA ILE 80 -5.981 -12.442 0.502 643 HB ILE 80 HB ILE 80 -8.071 -11.579 1.188 644 1HG1 ILE 80 2HG1 ILE 80 -6.213 -9.757 2.678 645 2HG1 ILE 80 1HG1 ILE 80 -6.061 -9.959 0.937 646 1HG2 ILE 80 1HG2 ILE 80 -8.457 -10.854 3.575 647 2HG2 ILE 80 2HG2 ILE 80 -7.010 -11.770 3.994 648 3HG2 ILE 80 3HG2 ILE 80 -8.403 -12.594 3.294 649 1HD1 ILE 80 1HD1 ILE 80 -8.733 -9.471 1.240 650 2HD1 ILE 80 2HD1 ILE 80 -7.512 -8.275 0.805 651 3HD1 ILE 80 3HD1 ILE 80 -8.011 -8.454 2.487 652 H THR 81 HN THR 81 -3.864 -12.070 0.555 653 HA THR 81 HA THR 81 -2.520 -11.742 3.142 654 HB THR 81 HB THR 81 -0.792 -11.726 0.797 655 HG1 THR 81 HG1 THR 81 -2.473 -13.972 1.203 656 1HG2 THR 81 1HG2 THR 81 -0.126 -12.235 3.163 657 2HG2 THR 81 2HG2 THR 81 0.429 -13.382 1.944 658 3HG2 THR 81 3HG2 THR 81 -0.946 -13.785 2.973 659 H LEU 82 HN LEU 82 -1.635 -9.843 3.769 660 HA LEU 82 HA LEU 82 -1.605 -7.645 1.808 661 1HB LEU 82 HB2 LEU 82 -2.636 -7.691 4.621 662 2HB LEU 82 HB1 LEU 82 -2.068 -6.193 3.908 663 HG LEU 82 HG LEU 82 -4.228 -7.882 2.658 664 1HD1 LEU 82 1HD1 LEU 82 -4.350 -6.227 5.010 665 2HD1 LEU 82 2HD1 LEU 82 -5.604 -7.222 4.268 666 3HD1 LEU 82 3HD1 LEU 82 -5.359 -5.562 3.725 667 1HD2 LEU 82 1HD2 LEU 82 -2.753 -5.955 1.512 668 2HD2 LEU 82 2HD2 LEU 82 -4.017 -4.966 2.244 669 3HD2 LEU 82 3HD2 LEU 82 -4.446 -6.248 1.111 670 H TRP 83 HN TRP 83 0.428 -7.036 1.451 671 HA TRP 83 HA TRP 83 2.339 -7.125 3.696 672 1HB TRP 83 HB2 TRP 83 3.251 -6.819 0.862 673 2HB TRP 83 HB1 TRP 83 4.083 -7.550 2.224 674 HD1 TRP 83 HD1 TRP 83 1.159 -9.440 2.566 675 HE1 TRP 83 HE1 TRP 83 1.136 -11.574 1.145 676 HE3 TRP 83 HE3 TRP 83 4.866 -8.249 -0.742 677 HZ2 TRP 83 HZ2 TRP 83 2.503 -12.624 -1.084 678 HZ3 TRP 83 HZ3 TRP 83 5.449 -9.879 -2.490 679 HH2 TRP 83 HH2 TRP 83 4.291 -12.022 -2.656 680 H PHE 84 HN PHE 84 2.934 -5.191 4.514 681 HA PHE 84 HA PHE 84 2.433 -2.811 2.864 682 1HB PHE 84 HB2 PHE 84 2.462 -3.251 5.834 683 2HB PHE 84 HB1 PHE 84 2.708 -1.640 5.172 684 HD1 PHE 84 HD1 PHE 84 0.454 -4.242 3.807 685 HD2 PHE 84 HD2 PHE 84 0.762 -0.562 5.930 686 HE1 PHE 84 HE1 PHE 84 -1.978 -3.937 3.626 687 HE2 PHE 84 HE2 PHE 84 -1.671 -0.256 5.751 688 HZ PHE 84 HZ PHE 84 -3.042 -1.942 4.598 689 H TRP 85 HN TRP 85 4.081 -1.682 2.086 690 HA TRP 85 HA TRP 85 6.773 -2.191 3.156 691 1HB TRP 85 HB2 TRP 85 6.015 -1.071 0.451 692 2HB TRP 85 HB1 TRP 85 7.629 -1.537 0.979 693 HD1 TRP 85 HD1 TRP 85 4.504 -2.922 -0.572 694 HE1 TRP 85 HE1 TRP 85 4.810 -5.433 -1.045 695 HE3 TRP 85 HE3 TRP 85 8.846 -3.717 2.009 696 HZ2 TRP 85 HZ2 TRP 85 6.648 -7.478 -0.409 697 HZ3 TRP 85 HZ3 TRP 85 9.812 -5.979 2.027 698 HH2 TRP 85 HH2 TRP 85 8.733 -7.821 0.841 699 H LEU 86 HN LEU 86 8.214 -0.452 3.533 700 HA LEU 86 HA LEU 86 6.840 2.083 4.052 701 1HB LEU 86 HB2 LEU 86 7.932 1.169 5.961 702 2HB LEU 86 HB1 LEU 86 9.427 0.940 5.076 703 HG LEU 86 HG LEU 86 9.294 3.570 4.824 704 1HD1 LEU 86 1HD1 LEU 86 7.045 3.594 5.963 705 2HD1 LEU 86 2HD1 LEU 86 8.256 4.690 6.628 706 3HD1 LEU 86 3HD1 LEU 86 7.890 3.174 7.453 707 1HD2 LEU 86 1HD2 LEU 86 11.196 2.919 5.864 708 2HD2 LEU 86 2HD2 LEU 86 10.356 1.815 6.953 709 3HD2 LEU 86 3HD2 LEU 86 10.355 3.549 7.279 710 H VAL 87 HN VAL 87 6.878 3.310 2.309 711 HA VAL 87 HA VAL 87 9.107 3.479 0.486 712 HB VAL 87 HB VAL 87 6.720 5.270 0.600 713 1HG1 VAL 87 1HG1 VAL 87 7.848 6.221 -1.075 714 2HG1 VAL 87 2HG1 VAL 87 7.310 4.836 -2.023 715 3HG1 VAL 87 3HG1 VAL 87 8.906 4.829 -1.277 716 1HG2 VAL 87 1HG2 VAL 87 6.905 2.419 0.008 717 2HG2 VAL 87 2HG2 VAL 87 6.174 3.349 -1.305 718 3HG2 VAL 87 3HG2 VAL 87 5.478 3.414 0.314 719 H GLU 88 HN GLU 88 10.453 5.252 0.129 720 HA GLU 88 HA GLU 88 10.410 7.134 2.379 721 1HB GLU 88 HB2 GLU 88 12.407 5.730 2.269 722 2HB GLU 88 HB1 GLU 88 12.754 6.340 0.657 723 1HG GLU 88 HG2 GLU 88 13.599 8.277 1.422 724 2HG GLU 88 HG1 GLU 88 12.440 8.384 2.747 725 H ARG 89 HN ARG 89 10.653 7.111 -1.185 726 HA ARG 89 HA ARG 89 9.783 9.843 -1.214 727 1HB ARG 89 HB2 ARG 89 11.663 10.955 -1.958 728 2HB ARG 89 HB1 ARG 89 12.344 9.841 -0.784 729 1HG ARG 89 HG2 ARG 89 13.789 9.304 -2.390 730 2HG ARG 89 HG1 ARG 89 12.459 8.390 -3.102 731 1HD ARG 89 HD2 ARG 89 13.047 9.667 -4.899 732 2HD ARG 89 HD1 ARG 89 11.866 10.738 -4.147 733 HE ARG 89 HE ARG 89 14.263 11.447 -3.035 734 1HH1 ARG 89 1HH1 ARG 89 13.008 11.229 -6.284 735 2HH1 ARG 89 2HH1 ARG 89 14.012 12.503 -6.892 736 1HH2 ARG 89 1HH2 ARG 89 15.584 13.123 -3.831 737 2HH2 ARG 89 2HH2 ARG 89 15.474 13.579 -5.500 738 H TRP 90 HN TRP 90 9.623 10.730 -3.468 739 HA TRP 90 HA TRP 90 9.701 8.770 -5.579 740 1HB TRP 90 HB2 TRP 90 7.417 8.692 -6.105 741 2HB TRP 90 HB1 TRP 90 7.459 8.534 -4.357 742 HD1 TRP 90 HD1 TRP 90 6.904 11.334 -6.990 743 HE1 TRP 90 HE1 TRP 90 5.122 12.938 -6.054 744 HE3 TRP 90 HE3 TRP 90 6.241 9.211 -2.390 745 HZ2 TRP 90 HZ2 TRP 90 3.626 13.250 -3.686 746 HZ3 TRP 90 HZ3 TRP 90 4.606 10.217 -0.851 747 HH2 TRP 90 HH2 TRP 90 3.331 12.200 -1.485 748 H GLU 91 HN GLU 91 10.211 9.644 -7.488 749 HA GLU 91 HA GLU 91 10.647 12.478 -7.622 750 1HB GLU 91 HB2 GLU 91 12.140 10.754 -8.671 751 2HB GLU 91 HB1 GLU 91 10.871 10.449 -9.850 752 1HG GLU 91 HG2 GLU 91 11.440 13.260 -9.703 753 2HG GLU 91 HG1 GLU 91 12.920 12.345 -9.986 754 H GLY 92 HN GLY 92 9.544 14.007 -8.772 755 1HA GLY 92 HA2 GLY 92 7.804 14.992 -9.901 756 2HA GLY 92 HA1 GLY 92 7.601 13.465 -10.747 757 H GLU 93 HN GLU 93 5.622 12.678 -10.556 758 HA GLU 93 HA GLU 93 4.277 12.881 -7.952 759 1HB GLU 93 HB2 GLU 93 2.853 13.209 -10.593 760 2HB GLU 93 HB1 GLU 93 2.183 13.432 -8.983 761 1HG GLU 93 HG2 GLU 93 3.070 15.499 -8.746 762 2HG GLU 93 HG1 GLU 93 4.497 15.120 -9.711 763 HA PRO 94 HA PRO 94 3.575 8.547 -8.601 764 1HB PRO 94 HB2 PRO 94 1.394 8.578 -6.700 765 2HB PRO 94 HB1 PRO 94 3.034 7.969 -6.477 766 1HG PRO 94 HG2 PRO 94 2.054 10.170 -5.193 767 2HG PRO 94 HG1 PRO 94 3.773 9.927 -5.554 768 1HD PRO 94 HD2 PRO 94 1.743 11.584 -7.010 769 2HD PRO 94 HD1 PRO 94 3.435 11.963 -6.616 770 H TRP 95 HN TRP 95 2.459 7.532 -10.171 771 HA TRP 95 HA TRP 95 -0.349 8.285 -10.517 772 1HB TRP 95 HB2 TRP 95 -0.020 8.078 -13.014 773 2HB TRP 95 HB1 TRP 95 0.683 9.499 -12.258 774 HD1 TRP 95 HD1 TRP 95 3.337 9.686 -12.246 775 HE1 TRP 95 HE1 TRP 95 5.157 8.571 -13.693 776 HE3 TRP 95 HE3 TRP 95 0.620 5.761 -14.063 777 HZ2 TRP 95 HZ2 TRP 95 5.389 6.337 -15.395 778 HZ3 TRP 95 HZ3 TRP 95 1.710 4.187 -15.603 779 HH2 TRP 95 HH2 TRP 95 4.050 4.462 -16.244 780 H GLY 96 HN GLY 96 2.038 6.009 -11.853 781 1HA GLY 96 HA2 GLY 96 1.762 3.800 -12.498 782 2HA GLY 96 HA1 GLY 96 1.140 3.653 -10.868 783 H LYS 97 HN LYS 97 -0.988 3.273 -10.535 784 HA LYS 97 HA LYS 97 -3.091 3.843 -12.276 785 1HB LYS 97 HB2 LYS 97 -1.776 2.094 -13.631 786 2HB LYS 97 HB1 LYS 97 -2.360 0.928 -12.453 787 1HG LYS 97 HG2 LYS 97 -3.936 0.732 -14.102 788 2HG LYS 97 HG1 LYS 97 -4.696 1.924 -13.046 789 1HD LYS 97 HD2 LYS 97 -2.933 3.084 -15.075 790 2HD LYS 97 HD1 LYS 97 -4.314 2.209 -15.741 791 1HE LYS 97 HE2 LYS 97 -4.560 4.290 -13.580 792 2HE LYS 97 HE1 LYS 97 -4.676 4.666 -15.298 793 1HZ LYS 97 HZ1 LYS 97 -6.840 4.286 -14.133 794 2HZ LYS 97 HZ2 LYS 97 -6.403 2.661 -13.964 795 3HZ LYS 97 HZ3 LYS 97 -6.595 3.327 -15.507 796 H GLU 98 HN GLU 98 -2.453 3.742 -9.441 797 HA GLU 98 HA GLU 98 -3.770 1.593 -8.153 798 1HB GLU 98 HB2 GLU 98 -3.824 3.135 -6.180 799 2HB GLU 98 HB1 GLU 98 -2.233 2.948 -6.901 800 1HG GLU 98 HG2 GLU 98 -2.786 5.099 -8.187 801 2HG GLU 98 HG1 GLU 98 -4.069 5.301 -7.000 802 H GLY 99 HN GLY 99 -4.910 4.520 -9.650 803 1HA GLY 99 HA2 GLY 99 -7.034 5.258 -10.111 804 2HA GLY 99 HA1 GLY 99 -7.596 3.650 -9.679 805 H GLN 100 HN GLN 100 -5.834 5.730 -7.479 806 HA GLN 100 HA GLN 100 -8.308 6.417 -6.075 807 1HB GLN 100 HB2 GLN 100 -6.083 4.726 -5.024 808 2HB GLN 100 HB1 GLN 100 -6.897 5.825 -3.920 809 1HG GLN 100 HG2 GLN 100 -8.698 4.204 -5.558 810 2HG GLN 100 HG1 GLN 100 -7.679 3.283 -4.454 811 1HE2 GLN 100 1HE2 GLN 100 -9.621 2.709 -3.350 812 2HE2 GLN 100 2HE2 GLN 100 -10.347 3.807 -2.231 813 HA PRO 101 HA PRO 101 -5.890 10.270 -6.666 814 1HB PRO 101 HB2 PRO 101 -8.443 10.979 -5.259 815 2HB PRO 101 HB1 PRO 101 -7.588 11.868 -6.527 816 1HG PRO 101 HG2 PRO 101 -9.700 10.422 -7.154 817 2HG PRO 101 HG1 PRO 101 -8.261 10.368 -8.191 818 1HD PRO 101 HD2 PRO 101 -9.277 8.346 -6.255 819 2HD PRO 101 HD1 PRO 101 -8.405 8.110 -7.783 820 H GLY 102 HN GLY 102 -4.357 10.870 -5.259 821 1HA GLY 102 HA2 GLY 102 -5.027 10.925 -2.388 822 2HA GLY 102 HA1 GLY 102 -3.551 10.147 -2.939 823 H GLU 103 HN GLU 103 -3.091 11.963 -1.149 824 HA GLU 103 HA GLU 103 -1.784 14.096 -2.624 825 1HB GLU 103 HB2 GLU 103 -2.651 15.827 -1.020 826 2HB GLU 103 HB1 GLU 103 -3.851 15.197 -2.139 827 1HG GLU 103 HG2 GLU 103 -4.676 13.698 -0.372 828 2HG GLU 103 HG1 GLU 103 -3.513 14.410 0.746 829 H TRP 104 HN TRP 104 -0.140 15.200 -1.328 830 HA TRP 104 HA TRP 104 1.236 13.381 0.374 831 1HB TRP 104 HB2 TRP 104 1.952 16.287 0.391 832 2HB TRP 104 HB1 TRP 104 3.005 14.879 0.329 833 HD1 TRP 104 HD1 TRP 104 1.575 13.584 -2.308 834 HE1 TRP 104 HE1 TRP 104 2.100 14.642 -4.595 835 HE3 TRP 104 HE3 TRP 104 3.199 18.167 -0.729 836 HZ2 TRP 104 HZ2 TRP 104 3.075 17.095 -5.596 837 HZ3 TRP 104 HZ3 TRP 104 3.910 19.812 -2.414 838 HH2 TRP 104 HH2 TRP 104 3.850 19.286 -4.798 839 H MET 105 HN MET 105 0.413 12.881 2.303 840 HA MET 105 HA MET 105 -0.422 15.088 4.065 841 1HB MET 105 HB2 MET 105 -2.039 13.630 5.102 842 2HB MET 105 HB1 MET 105 -2.311 13.646 3.365 843 1HG MET 105 HG2 MET 105 -1.675 11.476 3.102 844 2HG MET 105 HG1 MET 105 -0.590 11.506 4.491 845 1HE MET 105 HE1 MET 105 -2.878 12.248 7.185 846 2HE MET 105 HE2 MET 105 -1.236 11.795 6.728 847 3HE MET 105 HE3 MET 105 -2.323 10.589 7.415 848 H SER 106 HN SER 106 0.170 14.988 6.242 849 HA SER 106 HA SER 106 2.667 13.718 6.749 850 1HB SER 106 HB2 SER 106 2.427 14.672 9.026 851 2HB SER 106 HB1 SER 106 2.138 15.869 7.765 852 HG SER 106 HG SER 106 0.276 16.170 8.664 853 H LEU 107 HN LEU 107 2.920 11.638 7.202 854 HA LEU 107 HA LEU 107 0.847 9.888 7.932 855 1HB LEU 107 HB2 LEU 107 3.333 9.535 6.985 856 2HB LEU 107 HB1 LEU 107 3.624 9.167 8.674 857 HG LEU 107 HG LEU 107 3.186 7.128 7.442 858 1HD1 LEU 107 1HD1 LEU 107 1.539 6.178 8.851 859 2HD1 LEU 107 2HD1 LEU 107 0.752 7.736 9.099 860 3HD1 LEU 107 3HD1 LEU 107 2.344 7.433 9.795 861 1HD2 LEU 107 1HD2 LEU 107 1.551 6.849 5.929 862 2HD2 LEU 107 2HD2 LEU 107 1.514 8.611 5.904 863 3HD2 LEU 107 3HD2 LEU 107 0.364 7.720 6.900 864 H VAL 108 HN VAL 108 2.719 12.051 9.803 865 HA VAL 108 HA VAL 108 2.810 10.779 12.280 866 HB VAL 108 HB VAL 108 4.028 12.852 11.788 867 1HG1 VAL 108 1HG1 VAL 108 1.715 13.789 10.750 868 2HG1 VAL 108 2HG1 VAL 108 3.075 14.809 11.217 869 3HG1 VAL 108 3HG1 VAL 108 1.717 14.592 12.320 870 1HG2 VAL 108 1HG2 VAL 108 2.152 13.266 14.110 871 2HG2 VAL 108 2HG2 VAL 108 3.802 13.865 13.939 872 3HG2 VAL 108 3HG2 VAL 108 3.508 12.137 14.129 873 H GLY 109 HN GLY 109 0.074 11.717 10.545 874 1HA GLY 109 HA2 GLY 109 -1.551 11.559 12.992 875 2HA GLY 109 HA1 GLY 109 -1.888 12.769 11.763 876 H LEU 110 HN LEU 110 -1.085 9.317 11.590 877 HA LEU 110 HA LEU 110 -2.814 8.764 9.448 878 1HB LEU 110 HB2 LEU 110 -0.821 7.429 10.559 879 2HB LEU 110 HB1 LEU 110 -2.121 6.666 11.447 880 HG LEU 110 HG LEU 110 -1.510 5.322 9.524 881 1HD1 LEU 110 1HD1 LEU 110 -4.025 5.933 10.258 882 2HD1 LEU 110 2HD1 LEU 110 -3.626 4.760 9.003 883 3HD1 LEU 110 3HD1 LEU 110 -4.070 6.406 8.559 884 1HD2 LEU 110 1HD2 LEU 110 -1.062 7.726 8.272 885 2HD2 LEU 110 2HD2 LEU 110 -2.521 7.131 7.482 886 3HD2 LEU 110 3HD2 LEU 110 -1.062 6.140 7.500 887 H ASN 111 HN ASN 111 -4.895 7.943 9.354 888 HA ASN 111 HA ASN 111 -6.365 7.917 11.900 889 1HB ASN 111 HB2 ASN 111 -6.769 9.565 9.666 890 2HB ASN 111 HB1 ASN 111 -8.086 8.398 9.641 891 1HD2 ASN 111 1HD2 ASN 111 -8.413 7.981 12.358 892 2HD2 ASN 111 2HD2 ASN 111 -9.005 9.435 13.081 893 H ALA 112 HN ALA 112 -6.987 5.976 12.473 894 HA ALA 112 HA ALA 112 -7.177 3.798 10.636 895 1HB ALA 112 HB1 ALA 112 -6.581 3.712 13.142 896 2HB ALA 112 HB2 ALA 112 -7.600 2.429 12.485 897 3HB ALA 112 HB3 ALA 112 -8.323 3.747 13.411 898 H ASP 113 HN ASP 113 -9.283 6.295 11.573 899 HA ASP 113 HA ASP 113 -11.752 4.872 11.203 900 1HB ASP 113 HB2 ASP 113 -10.933 7.484 12.120 901 2HB ASP 113 HB1 ASP 113 -12.240 7.631 10.949 902 H ASP 114 HN ASP 114 -9.939 7.301 9.329 903 HA ASP 114 HA ASP 114 -11.728 7.329 7.136 904 1HB ASP 114 HB2 ASP 114 -9.296 8.636 7.878 905 2HB ASP 114 HB1 ASP 114 -9.177 8.090 6.212 906 H PHE 115 HN PHE 115 -8.903 5.400 7.884 907 HA PHE 115 HA PHE 115 -8.783 4.238 5.240 908 1HB PHE 115 HB2 PHE 115 -6.740 3.469 5.865 909 2HB PHE 115 HB1 PHE 115 -6.918 4.607 7.201 910 HD1 PHE 115 HD1 PHE 115 -8.752 3.333 8.953 911 HD2 PHE 115 HD2 PHE 115 -5.639 1.596 6.659 912 HE1 PHE 115 HE1 PHE 115 -8.608 1.490 10.574 913 HE2 PHE 115 HE2 PHE 115 -5.485 -0.253 8.266 914 HZ PHE 115 HZ PHE 115 -6.976 -0.307 10.223 915 HA PRO 116 HA PRO 116 -11.252 0.638 5.998 916 1HB PRO 116 HB2 PRO 116 -9.796 -1.470 5.147 917 2HB PRO 116 HB1 PRO 116 -10.446 -0.263 4.031 918 1HG PRO 116 HG2 PRO 116 -7.678 -0.533 5.132 919 2HG PRO 116 HG1 PRO 116 -8.193 -0.136 3.483 920 1HD PRO 116 HD2 PRO 116 -7.369 1.731 5.295 921 2HD PRO 116 HD1 PRO 116 -8.513 2.080 3.985 922 HA PRO 117 HA PRO 117 -10.070 -0.579 10.161 923 1HB PRO 117 HB2 PRO 117 -12.159 -2.341 10.532 924 2HB PRO 117 HB1 PRO 117 -12.253 -0.598 10.795 925 1HG PRO 117 HG2 PRO 117 -13.109 -2.208 8.425 926 2HG PRO 117 HG1 PRO 117 -13.922 -0.835 9.203 927 1HD PRO 117 HD2 PRO 117 -12.548 -0.535 6.922 928 2HD PRO 117 HD1 PRO 117 -12.540 0.723 8.178 929 H ALA 118 HN ALA 118 -10.328 -2.653 7.428 930 HA ALA 118 HA ALA 118 -9.750 -5.126 8.653 931 1HB ALA 118 HB1 ALA 118 -9.706 -5.990 6.553 932 2HB ALA 118 HB2 ALA 118 -8.814 -4.622 5.886 933 3HB ALA 118 HB3 ALA 118 -10.541 -4.474 6.212 934 H ASN 119 HN ASN 119 -7.770 -2.404 8.323 935 HA ASN 119 HA ASN 119 -5.389 -4.083 8.744 936 1HB ASN 119 HB2 ASN 119 -5.891 -2.215 6.611 937 2HB ASN 119 HB1 ASN 119 -4.515 -1.672 7.563 938 1HD2 ASN 119 1HD2 ASN 119 -5.084 -3.114 4.856 939 2HD2 ASN 119 2HD2 ASN 119 -3.848 -4.319 4.816 940 H GLU 120 HN GLU 120 -7.008 -2.944 10.798 941 HA GLU 120 HA GLU 120 -5.844 -0.506 11.719 942 1HB GLU 120 HB2 GLU 120 -8.037 -2.131 12.458 943 2HB GLU 120 HB1 GLU 120 -7.017 -1.972 13.879 944 1HG GLU 120 HG2 GLU 120 -7.292 0.314 13.987 945 2HG GLU 120 HG1 GLU 120 -7.741 0.443 12.288 946 HA PRO 121 HA PRO 121 -3.545 -3.661 14.761 947 1HB PRO 121 HB2 PRO 121 -3.035 -5.705 12.657 948 2HB PRO 121 HB1 PRO 121 -3.331 -5.922 14.388 949 1HG PRO 121 HG2 PRO 121 -5.229 -6.488 12.612 950 2HG PRO 121 HG1 PRO 121 -5.632 -5.707 14.153 951 1HD PRO 121 HD2 PRO 121 -5.438 -4.520 11.418 952 2HD PRO 121 HD1 PRO 121 -6.577 -4.155 12.729 953 H VAL 122 HN VAL 122 -2.892 -3.541 11.289 954 HA VAL 122 HA VAL 122 -0.048 -3.344 11.595 955 HB VAL 122 HB VAL 122 -1.474 -2.516 9.097 956 1HG1 VAL 122 1HG1 VAL 122 0.891 -2.318 9.030 957 2HG1 VAL 122 2HG1 VAL 122 0.463 -3.742 8.081 958 3HG1 VAL 122 3HG1 VAL 122 1.106 -3.930 9.712 959 1HG2 VAL 122 1HG2 VAL 122 -2.688 -4.471 9.552 960 2HG2 VAL 122 2HG2 VAL 122 -1.265 -5.311 10.168 961 3HG2 VAL 122 3HG2 VAL 122 -1.412 -4.971 8.443 962 H ILE 123 HN ILE 123 -2.610 -1.118 10.557 963 HA ILE 123 HA ILE 123 -0.930 1.145 10.340 964 HB ILE 123 HB ILE 123 -3.908 0.791 10.508 965 1HG1 ILE 123 2HG1 ILE 123 -2.109 0.545 8.446 966 2HG1 ILE 123 1HG1 ILE 123 -3.830 0.849 8.254 967 1HG2 ILE 123 1HG2 ILE 123 -4.155 3.203 10.045 968 2HG2 ILE 123 2HG2 ILE 123 -2.429 3.413 10.338 969 3HG2 ILE 123 3HG2 ILE 123 -3.488 2.881 11.645 970 1HD1 ILE 123 1HD1 ILE 123 -2.276 2.332 6.949 971 2HD1 ILE 123 2HD1 ILE 123 -1.813 3.055 8.491 972 3HD1 ILE 123 3HD1 ILE 123 -3.487 3.154 7.936 973 H ALA 124 HN ALA 124 -2.675 -0.291 12.997 974 HA ALA 124 HA ALA 124 -2.827 1.845 14.763 975 1HB ALA 124 HB1 ALA 124 -3.912 -0.223 15.289 976 2HB ALA 124 HB2 ALA 124 -2.735 0.109 16.561 977 3HB ALA 124 HB3 ALA 124 -2.373 -1.085 15.313 978 H LYS 125 HN LYS 125 -0.113 -0.127 13.811 979 HA LYS 125 HA LYS 125 1.642 0.672 15.907 980 1HB LYS 125 HB2 LYS 125 1.781 -0.950 13.509 981 2HB LYS 125 HB1 LYS 125 3.227 0.032 13.691 982 1HG LYS 125 HG2 LYS 125 3.727 -1.964 14.785 983 2HG LYS 125 HG1 LYS 125 3.315 -0.844 16.083 984 1HD LYS 125 HD2 LYS 125 0.958 -1.782 15.943 985 2HD LYS 125 HD1 LYS 125 1.637 -3.058 14.931 986 1HE LYS 125 HE2 LYS 125 2.797 -4.004 16.659 987 2HE LYS 125 HE1 LYS 125 2.961 -2.477 17.527 988 1HZ LYS 125 HZ1 LYS 125 0.461 -2.673 17.883 989 2HZ LYS 125 HZ2 LYS 125 1.455 -3.705 18.781 990 3HZ LYS 125 HZ3 LYS 125 0.633 -4.293 17.425 991 H LEU 126 HN LEU 126 1.360 1.707 12.507 992 HA LEU 126 HA LEU 126 3.234 3.856 12.857 993 1HB LEU 126 HB2 LEU 126 2.251 2.456 10.695 994 2HB LEU 126 HB1 LEU 126 1.494 4.025 10.520 995 HG LEU 126 HG LEU 126 3.725 5.091 10.609 996 1HD1 LEU 126 1HD1 LEU 126 5.627 3.364 10.111 997 2HD1 LEU 126 2HD1 LEU 126 4.570 2.260 10.989 998 3HD1 LEU 126 3HD1 LEU 126 5.157 3.727 11.772 999 1HD2 LEU 126 1HD2 LEU 126 3.174 3.010 8.514 1000 2HD2 LEU 126 2HD2 LEU 126 4.517 4.147 8.391 1001 3HD2 LEU 126 3HD2 LEU 126 2.858 4.744 8.450 1002 H LYS 127 HN LYS 127 -0.143 3.477 13.313 1003 HA LYS 127 HA LYS 127 -0.922 6.176 12.848 1004 1HB LYS 127 HB2 LYS 127 -2.436 4.201 12.855 1005 2HB LYS 127 HB1 LYS 127 -2.271 4.122 14.597 1006 1HG LYS 127 HG2 LYS 127 -3.158 6.457 14.700 1007 2HG LYS 127 HG1 LYS 127 -3.513 6.327 12.976 1008 1HD LYS 127 HD2 LYS 127 -5.525 5.643 13.788 1009 2HD LYS 127 HD1 LYS 127 -4.694 4.085 13.804 1010 1HE LYS 127 HE2 LYS 127 -5.855 4.450 15.906 1011 2HE LYS 127 HE1 LYS 127 -4.111 4.433 16.160 1012 1HZ LYS 127 HZ1 LYS 127 -5.440 6.243 17.310 1013 2HZ LYS 127 HZ2 LYS 127 -5.595 6.961 15.786 1014 3HZ LYS 127 HZ3 LYS 127 -4.061 6.732 16.460 1015 H ARG 128 HN ARG 128 -0.041 4.309 15.711 1016 HA ARG 128 HA ARG 128 -0.437 6.505 17.511 1017 1HB ARG 128 HB2 ARG 128 -0.700 4.264 18.357 1018 2HB ARG 128 HB1 ARG 128 0.919 3.825 17.833 1019 1HG ARG 128 HG2 ARG 128 1.905 5.260 19.484 1020 2HG ARG 128 HG1 ARG 128 0.323 5.903 19.929 1021 1HD ARG 128 HD2 ARG 128 -0.281 4.005 21.063 1022 2HD ARG 128 HD1 ARG 128 0.760 2.964 20.092 1023 HE ARG 128 HE ARG 128 2.393 3.261 21.649 1024 1HH1 ARG 128 1HH1 ARG 128 0.145 5.918 21.915 1025 2HH1 ARG 128 2HH1 ARG 128 0.930 6.607 23.296 1026 1HH2 ARG 128 1HH2 ARG 128 3.426 4.166 23.465 1027 2HH2 ARG 128 2HH2 ARG 128 2.793 5.614 24.176 1028 H LEU 129 HN LEU 129 1.831 5.917 15.178 1029 HA LEU 129 HA LEU 129 4.285 6.478 16.387 1030 1HB LEU 129 HB2 LEU 129 5.065 6.407 14.306 1031 2HB LEU 129 HB1 LEU 129 3.423 6.028 13.831 1032 HG LEU 129 HG LEU 129 4.605 8.792 13.897 1033 1HD1 LEU 129 1HD1 LEU 129 5.393 6.999 12.145 1034 2HD1 LEU 129 2HD1 LEU 129 5.053 8.659 11.656 1035 3HD1 LEU 129 3HD1 LEU 129 3.855 7.394 11.379 1036 1HD2 LEU 129 1HD2 LEU 129 2.329 8.627 12.235 1037 2HD2 LEU 129 2HD2 LEU 129 2.513 9.520 13.744 1038 3HD2 LEU 129 3HD2 LEU 129 1.906 7.866 13.768 1039 1HO1 MO2 130 1HO1 MO2 130 -4.574 -4.435 -10.600 1040 2HO1 MO2 130 2HO1 MO2 130 -5.025 -1.646 -8.264 1041 1HO2 MO2 130 1HO2 MO2 130 -3.325 -4.555 -11.444 1042 2HO2 MO2 130 2HO2 MO2 130 -5.123 -1.295 -9.732 1043 1H5* 8OG 131 1H5* ODG 131 -7.869 -4.559 -5.589 1044 2H5* 8OG 131 2H5* ODG 131 -6.962 -6.046 -5.553 1045 H4* 8OG 131 1H4* ODG 131 -7.494 -5.324 -3.308 1046 H3* 8OG 131 1H3* ODG 131 -8.239 -7.853 -4.341 1047 1H2* 8OG 131 1H2* ODG 131 -10.279 -8.208 -3.495 1048 2H2* 8OG 131 2H2* ODG 131 -9.705 -7.800 -1.894 1049 H1* 8OG 131 1H1* ODG 131 -10.707 -5.829 -1.964 1050 H1 8OG 131 H1 ODG 131 -16.592 -4.822 -1.950 1051 H7 8OG 131 H7 ODG 131 -14.051 -6.947 -5.679 1052 1H2 8OG 131 H21 ODG 131 -14.183 -4.013 0.453 1053 2H2 8OG 131 H22 ODG 131 -15.860 -3.987 0.021 1054 H3T 8OG 131 *HO1 ODG 131 -7.442 -8.549 -2.270 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -9.428 -23.809 -4.469 2 2H MET 1 HT2 MET 1 -10.683 -23.572 -3.323 3 3H MET 1 HT3 MET 1 -9.564 -24.858 -3.120 4 HA MET 1 HA MET 1 -9.245 -22.858 -1.702 5 1HB MET 1 HB2 MET 1 -7.222 -24.188 -3.461 6 2HB MET 1 HB1 MET 1 -6.699 -22.896 -2.390 7 1HG MET 1 HG2 MET 1 -6.402 -24.541 -0.913 8 2HG MET 1 HG1 MET 1 -8.146 -24.419 -0.684 9 1HE MET 1 HE1 MET 1 -5.624 -26.543 -3.313 10 2HE MET 1 HE2 MET 1 -5.710 -27.852 -2.133 11 3HE MET 1 HE3 MET 1 -5.195 -26.242 -1.629 12 H LYS 2 HN LYS 2 -9.627 -20.748 -1.837 13 HA LYS 2 HA LYS 2 -8.774 -19.305 -4.255 14 1HB LYS 2 HB2 LYS 2 -11.250 -19.358 -3.345 15 2HB LYS 2 HB1 LYS 2 -10.651 -18.117 -2.254 16 1HG LYS 2 HG2 LYS 2 -10.914 -16.592 -3.832 17 2HG LYS 2 HG1 LYS 2 -9.785 -17.461 -4.873 18 1HD LYS 2 HD2 LYS 2 -12.718 -18.123 -4.641 19 2HD LYS 2 HD1 LYS 2 -12.041 -17.066 -5.882 20 1HE LYS 2 HE2 LYS 2 -11.138 -18.783 -7.038 21 2HE LYS 2 HE1 LYS 2 -10.731 -19.687 -5.581 22 1HZ LYS 2 HZ1 LYS 2 -13.075 -20.303 -5.378 23 2HZ LYS 2 HZ2 LYS 2 -12.419 -20.835 -6.843 24 3HZ LYS 2 HZ3 LYS 2 -13.427 -19.477 -6.812 25 H LYS 3 HN LYS 3 -6.778 -18.536 -3.898 26 HA LYS 3 HA LYS 3 -6.309 -17.055 -1.393 27 1HB LYS 3 HB2 LYS 3 -3.913 -17.585 -1.670 28 2HB LYS 3 HB1 LYS 3 -4.900 -19.027 -1.486 29 1HG LYS 3 HG2 LYS 3 -4.558 -18.280 -4.269 30 2HG LYS 3 HG1 LYS 3 -3.020 -18.561 -3.450 31 1HD LYS 3 HD2 LYS 3 -5.156 -20.537 -2.934 32 2HD LYS 3 HD1 LYS 3 -4.489 -20.518 -4.568 33 1HE LYS 3 HE2 LYS 3 -2.623 -20.489 -2.244 34 2HE LYS 3 HE1 LYS 3 -3.417 -22.002 -2.681 35 1HZ LYS 3 HZ1 LYS 3 -1.389 -20.481 -4.126 36 2HZ LYS 3 HZ2 LYS 3 -2.565 -21.262 -5.058 37 3HZ LYS 3 HZ3 LYS 3 -1.598 -22.155 -3.995 38 H LEU 4 HN LEU 4 -5.715 -14.976 -1.542 39 HA LEU 4 HA LEU 4 -4.756 -13.948 -4.112 40 1HB LEU 4 HB2 LEU 4 -6.287 -12.116 -4.114 41 2HB LEU 4 HB1 LEU 4 -7.214 -13.597 -3.962 42 HG LEU 4 HG LEU 4 -6.919 -12.940 -1.348 43 1HD1 LEU 4 1HD1 LEU 4 -6.714 -10.431 -2.949 44 2HD1 LEU 4 2HD1 LEU 4 -5.898 -10.882 -1.452 45 3HD1 LEU 4 3HD1 LEU 4 -7.600 -10.423 -1.425 46 1HD2 LEU 4 1HD2 LEU 4 -9.117 -11.672 -2.931 47 2HD2 LEU 4 2HD2 LEU 4 -9.189 -12.495 -1.373 48 3HD2 LEU 4 3HD2 LEU 4 -8.975 -13.428 -2.854 49 H GLN 5 HN GLN 5 -3.054 -12.657 -3.884 50 HA GLN 5 HA GLN 5 -2.364 -11.729 -1.197 51 1HB GLN 5 HB2 GLN 5 -0.602 -11.876 -3.637 52 2HB GLN 5 HB1 GLN 5 -0.089 -11.556 -1.984 53 1HG GLN 5 HG2 GLN 5 -1.086 -13.844 -1.441 54 2HG GLN 5 HG1 GLN 5 -1.094 -14.104 -3.178 55 1HE2 GLN 5 1HE2 GLN 5 0.562 -14.851 -0.551 56 2HE2 GLN 5 2HE2 GLN 5 2.168 -14.935 -1.179 57 H ILE 6 HN ILE 6 -1.512 -9.648 -0.871 58 HA ILE 6 HA ILE 6 -1.888 -7.650 -2.948 59 HB ILE 6 HB ILE 6 -3.299 -7.543 -0.276 60 1HG1 ILE 6 2HG1 ILE 6 -4.430 -8.862 -2.042 61 2HG1 ILE 6 1HG1 ILE 6 -5.337 -7.420 -1.599 62 1HG2 ILE 6 1HG2 ILE 6 -4.100 -5.330 -0.985 63 2HG2 ILE 6 2HG2 ILE 6 -3.045 -5.418 -2.396 64 3HG2 ILE 6 3HG2 ILE 6 -2.350 -5.379 -0.776 65 1HD1 ILE 6 1HD1 ILE 6 -4.543 -6.287 -3.587 66 2HD1 ILE 6 2HD1 ILE 6 -5.334 -7.805 -4.007 67 3HD1 ILE 6 3HD1 ILE 6 -3.573 -7.694 -4.020 68 H ALA 7 HN ALA 7 -0.259 -6.193 -2.878 69 HA ALA 7 HA ALA 7 1.227 -5.939 -0.334 70 1HB ALA 7 HB1 ALA 7 2.208 -6.562 -3.047 71 2HB ALA 7 HB2 ALA 7 2.880 -6.983 -1.472 72 3HB ALA 7 HB3 ALA 7 3.143 -5.374 -2.142 73 H VAL 8 HN VAL 8 1.274 -3.906 0.410 74 HA VAL 8 HA VAL 8 0.932 -1.733 -1.540 75 HB VAL 8 HB VAL 8 -0.676 -0.685 -0.349 76 1HG1 VAL 8 1HG1 VAL 8 -2.331 -2.156 0.167 77 2HG1 VAL 8 2HG1 VAL 8 -1.276 -3.176 1.143 78 3HG1 VAL 8 3HG1 VAL 8 -1.210 -3.269 -0.617 79 1HG2 VAL 8 1HG2 VAL 8 0.363 -1.880 2.218 80 2HG2 VAL 8 2HG2 VAL 8 -0.875 -0.634 2.067 81 3HG2 VAL 8 3HG2 VAL 8 0.790 -0.287 1.591 82 H GLY 9 HN GLY 9 1.685 0.364 -0.828 83 1HA GLY 9 HA2 GLY 9 3.679 0.396 1.283 84 2HA GLY 9 HA1 GLY 9 4.281 0.636 -0.347 85 H ILE 10 HN ILE 10 3.384 2.250 2.345 86 HA ILE 10 HA ILE 10 1.869 4.394 1.193 87 HB ILE 10 HB ILE 10 3.198 5.392 3.474 88 1HG1 ILE 10 2HG1 ILE 10 2.201 2.575 3.925 89 2HG1 ILE 10 1HG1 ILE 10 3.871 3.113 4.063 90 1HG2 ILE 10 1HG2 ILE 10 0.992 5.433 4.435 91 2HG2 ILE 10 2HG2 ILE 10 0.428 4.238 3.268 92 3HG2 ILE 10 3HG2 ILE 10 0.897 5.848 2.723 93 1HD1 ILE 10 1HD1 ILE 10 3.421 4.352 6.000 94 2HD1 ILE 10 2HD1 ILE 10 2.569 2.822 6.212 95 3HD1 ILE 10 3HD1 ILE 10 1.677 4.271 5.745 96 H ILE 11 HN ILE 11 2.737 5.627 -0.355 97 HA ILE 11 HA ILE 11 5.544 5.973 -0.650 98 HB ILE 11 HB ILE 11 3.787 7.913 -2.025 99 1HG1 ILE 11 2HG1 ILE 11 3.643 4.929 -2.484 100 2HG1 ILE 11 1HG1 ILE 11 2.310 6.043 -2.200 101 1HG2 ILE 11 1HG2 ILE 11 5.393 7.828 -3.630 102 2HG2 ILE 11 2HG2 ILE 11 5.685 6.104 -3.406 103 3HG2 ILE 11 3HG2 ILE 11 6.359 7.267 -2.265 104 1HD1 ILE 11 1HD1 ILE 11 2.594 7.028 -4.358 105 2HD1 ILE 11 2HD1 ILE 11 2.514 5.276 -4.546 106 3HD1 ILE 11 3HD1 ILE 11 4.069 6.104 -4.635 107 H ARG 12 HN ARG 12 6.864 7.406 0.147 108 HA ARG 12 HA ARG 12 5.807 9.578 1.795 109 1HB ARG 12 HB2 ARG 12 8.220 7.911 1.810 110 2HB ARG 12 HB1 ARG 12 8.533 9.613 2.124 111 1HG ARG 12 HG2 ARG 12 6.282 8.832 3.659 112 2HG ARG 12 HG1 ARG 12 7.553 7.634 3.892 113 1HD ARG 12 HD2 ARG 12 9.113 9.623 4.260 114 2HD ARG 12 HD1 ARG 12 7.649 10.591 4.413 115 HE ARG 12 HE ARG 12 8.680 8.668 6.309 116 1HH1 ARG 12 1HH1 ARG 12 5.907 10.520 5.273 117 2HH1 ARG 12 2HH1 ARG 12 5.124 10.440 6.814 118 1HH2 ARG 12 1HH2 ARG 12 7.647 8.560 8.334 119 2HH2 ARG 12 2HH2 ARG 12 6.108 9.326 8.551 120 H ASN 13 HN ASN 13 6.004 11.670 1.294 121 HA ASN 13 HA ASN 13 7.199 12.325 -1.280 122 1HB ASN 13 HB2 ASN 13 6.203 14.608 -0.886 123 2HB ASN 13 HB1 ASN 13 5.054 13.294 -1.000 124 1HD2 ASN 13 1HD2 ASN 13 6.290 15.812 0.902 125 2HD2 ASN 13 2HD2 ASN 13 5.289 15.571 2.287 126 H GLU 14 HN GLU 14 7.974 14.845 -1.101 127 HA GLU 14 HA GLU 14 10.589 14.656 -0.021 128 1HB GLU 14 HB2 GLU 14 10.152 15.792 -2.104 129 2HB GLU 14 HB1 GLU 14 9.058 16.916 -1.304 130 1HG GLU 14 HG2 GLU 14 10.799 18.075 -0.291 131 2HG GLU 14 HG1 GLU 14 11.934 16.739 -0.486 132 H ASN 15 HN ASN 15 7.888 15.196 1.722 133 HA ASN 15 HA ASN 15 9.312 17.021 3.541 134 1HB ASN 15 HB2 ASN 15 7.464 18.186 2.332 135 2HB ASN 15 HB1 ASN 15 6.328 17.060 3.069 136 1HD2 ASN 15 1HD2 ASN 15 8.634 19.617 3.704 137 2HD2 ASN 15 2HD2 ASN 15 7.986 20.080 5.237 138 H ASN 16 HN ASN 16 9.505 14.296 3.831 139 HA ASN 16 HA ASN 16 9.117 12.532 5.231 140 1HB ASN 16 HB2 ASN 16 9.189 13.075 7.571 141 2HB ASN 16 HB1 ASN 16 10.202 14.231 6.715 142 1HD2 ASN 16 1HD2 ASN 16 9.761 16.350 6.863 143 2HD2 ASN 16 2HD2 ASN 16 8.431 17.015 7.743 144 H GLU 17 HN GLU 17 6.762 13.642 3.819 145 HA GLU 17 HA GLU 17 4.654 12.652 5.617 146 1HB GLU 17 HB2 GLU 17 4.201 14.473 3.255 147 2HB GLU 17 HB1 GLU 17 3.068 14.062 4.526 148 1HG GLU 17 HG2 GLU 17 5.117 15.182 5.931 149 2HG GLU 17 HG1 GLU 17 5.127 16.117 4.437 150 H ILE 18 HN ILE 18 2.870 11.500 4.455 151 HA ILE 18 HA ILE 18 3.982 10.042 2.154 152 HB ILE 18 HB ILE 18 3.116 9.089 4.648 153 1HG1 ILE 18 2HG1 ILE 18 3.467 7.064 2.571 154 2HG1 ILE 18 1HG1 ILE 18 4.733 8.284 2.584 155 1HG2 ILE 18 1HG2 ILE 18 0.826 9.073 3.825 156 2HG2 ILE 18 2HG2 ILE 18 1.420 7.429 4.055 157 3HG2 ILE 18 3HG2 ILE 18 1.323 8.111 2.432 158 1HD1 ILE 18 1HD1 ILE 18 3.890 6.586 4.916 159 2HD1 ILE 18 2HD1 ILE 18 5.139 7.830 4.952 160 3HD1 ILE 18 3HD1 ILE 18 5.356 6.394 3.952 161 H PHE 19 HN PHE 19 2.697 9.555 0.418 162 HA PHE 19 HA PHE 19 0.289 11.183 0.149 163 1HB PHE 19 HB2 PHE 19 1.475 11.639 -1.738 164 2HB PHE 19 HB1 PHE 19 2.349 10.116 -1.681 165 HD1 PHE 19 HD1 PHE 19 1.711 8.298 -3.020 166 HD2 PHE 19 HD2 PHE 19 -0.847 11.683 -2.689 167 HE1 PHE 19 HE1 PHE 19 0.340 7.437 -4.873 168 HE2 PHE 19 HE2 PHE 19 -2.224 10.825 -4.541 169 HZ PHE 19 HZ PHE 19 -1.632 8.701 -5.633 170 H ILE 20 HN ILE 20 -1.443 10.118 0.951 171 HA ILE 20 HA ILE 20 -1.954 7.407 -0.068 172 HB ILE 20 HB ILE 20 -3.586 7.763 2.159 173 1HG1 ILE 20 2HG1 ILE 20 -0.792 8.767 2.716 174 2HG1 ILE 20 1HG1 ILE 20 -2.298 9.647 2.949 175 1HG2 ILE 20 1HG2 ILE 20 -0.956 6.311 2.144 176 2HG2 ILE 20 2HG2 ILE 20 -2.389 5.726 1.300 177 3HG2 ILE 20 3HG2 ILE 20 -2.412 5.909 3.054 178 1HD1 ILE 20 1HD1 ILE 20 -1.252 8.769 5.032 179 2HD1 ILE 20 2HD1 ILE 20 -1.589 7.140 4.446 180 3HD1 ILE 20 3HD1 ILE 20 -2.918 8.253 4.770 181 H THR 21 HN THR 21 -4.299 6.891 -0.275 182 HA THR 21 HA THR 21 -5.669 9.127 -1.511 183 HB THR 21 HB THR 21 -5.559 6.849 -2.562 184 HG1 THR 21 HG1 THR 21 -7.215 8.429 -3.042 185 1HG2 THR 21 1HG2 THR 21 -6.485 5.939 -0.103 186 2HG2 THR 21 2HG2 THR 21 -6.318 5.012 -1.595 187 3HG2 THR 21 3HG2 THR 21 -7.855 5.783 -1.202 188 H ARG 22 HN ARG 22 -7.494 10.106 -0.798 189 HA ARG 22 HA ARG 22 -8.614 9.167 1.759 190 1HB ARG 22 HB2 ARG 22 -7.187 11.473 1.462 191 2HB ARG 22 HB1 ARG 22 -8.826 12.053 1.194 192 1HG ARG 22 HG2 ARG 22 -9.411 11.786 3.345 193 2HG ARG 22 HG1 ARG 22 -8.491 10.291 3.521 194 1HD ARG 22 HD2 ARG 22 -6.472 11.461 3.878 195 2HD ARG 22 HD1 ARG 22 -7.171 12.984 3.331 196 HE ARG 22 HE ARG 22 -7.307 11.876 5.960 197 1HH1 ARG 22 1HH1 ARG 22 -8.999 13.890 3.666 198 2HH1 ARG 22 2HH1 ARG 22 -9.859 14.771 4.885 199 1HH2 ARG 22 1HH2 ARG 22 -8.438 13.032 7.564 200 2HH2 ARG 22 2HH2 ARG 22 -9.541 14.285 7.097 201 H ARG 23 HN ARG 23 -10.471 8.233 1.104 202 HA ARG 23 HA ARG 23 -12.593 8.034 0.326 203 1HB ARG 23 HB2 ARG 23 -13.028 10.038 1.622 204 2HB ARG 23 HB1 ARG 23 -12.464 11.048 0.300 205 1HG ARG 23 HG2 ARG 23 -14.424 9.581 -0.908 206 2HG ARG 23 HG1 ARG 23 -15.060 9.780 0.726 207 1HD ARG 23 HD2 ARG 23 -14.293 11.904 -1.255 208 2HD ARG 23 HD1 ARG 23 -15.860 11.628 -0.497 209 HE ARG 23 HE ARG 23 -13.703 13.165 0.547 210 1HH1 ARG 23 1HH1 ARG 23 -16.359 11.101 1.478 211 2HH1 ARG 23 2HH1 ARG 23 -16.529 11.816 3.046 212 1HH2 ARG 23 1HH2 ARG 23 -13.924 14.105 2.609 213 2HH2 ARG 23 2HH2 ARG 23 -15.147 13.523 3.689 214 H ALA 24 HN ALA 24 -12.610 10.874 -1.580 215 HA ALA 24 HA ALA 24 -11.394 9.935 -3.928 216 1HB ALA 24 HB1 ALA 24 -14.298 9.817 -4.424 217 2HB ALA 24 HB2 ALA 24 -13.620 8.482 -3.491 218 3HB ALA 24 HB3 ALA 24 -12.988 8.846 -5.097 219 H ALA 25 HN ALA 25 -12.898 11.071 -5.904 220 HA ALA 25 HA ALA 25 -12.342 13.801 -5.625 221 1HB ALA 25 HB1 ALA 25 -13.709 14.045 -7.719 222 2HB ALA 25 HB2 ALA 25 -14.070 12.323 -7.597 223 3HB ALA 25 HB3 ALA 25 -12.404 12.862 -7.807 224 H ASP 26 HN ASP 26 -15.573 12.319 -5.974 225 HA ASP 26 HA ASP 26 -16.681 14.604 -4.493 226 1HB ASP 26 HB2 ASP 26 -18.884 13.765 -5.478 227 2HB ASP 26 HB1 ASP 26 -17.731 14.467 -6.608 228 H ALA 27 HN ALA 27 -17.072 11.078 -4.828 229 HA ALA 27 HA ALA 27 -17.092 10.585 -2.064 230 1HB ALA 27 HB1 ALA 27 -19.153 11.408 -1.623 231 2HB ALA 27 HB2 ALA 27 -19.654 9.820 -2.203 232 3HB ALA 27 HB3 ALA 27 -19.709 11.211 -3.285 233 H HIS 28 HN HIS 28 -17.182 8.383 -1.580 234 HA HIS 28 HA HIS 28 -18.101 6.371 -3.301 235 1HB HIS 28 HB2 HIS 28 -15.664 7.488 -4.163 236 2HB HIS 28 HB1 HIS 28 -15.251 5.937 -3.443 237 HD1 HIS 28 HD1 HIS 28 -17.716 4.308 -4.343 238 HD2 HIS 28 HD2 HIS 28 -15.554 6.856 -6.812 239 HE1 HIS 28 HE1 HIS 28 -18.153 3.504 -6.685 240 HE2 HIS 28 HE2 HIS 28 -16.766 5.009 -8.156 241 H MET 29 HN MET 29 -15.007 6.522 -1.555 242 HA MET 29 HA MET 29 -16.160 4.962 0.628 243 1HB MET 29 HB2 MET 29 -13.640 4.089 -0.789 244 2HB MET 29 HB1 MET 29 -14.445 3.267 0.541 245 1HG MET 29 HG2 MET 29 -15.301 2.007 -1.099 246 2HG MET 29 HG1 MET 29 -16.449 3.336 -1.249 247 1HE MET 29 HE1 MET 29 -12.710 2.674 -3.773 248 2HE MET 29 HE2 MET 29 -13.751 1.276 -3.514 249 3HE MET 29 HE3 MET 29 -13.041 2.113 -2.135 250 H ALA 30 HN ALA 30 -15.871 6.834 1.884 251 HA ALA 30 HA ALA 30 -13.356 8.144 2.136 252 1HB ALA 30 HB1 ALA 30 -14.376 9.516 3.712 253 2HB ALA 30 HB2 ALA 30 -15.500 8.258 4.223 254 3HB ALA 30 HB3 ALA 30 -15.712 9.046 2.660 255 H ASN 31 HN ASN 31 -14.702 5.300 3.529 256 HA ASN 31 HA ASN 31 -12.811 5.314 5.753 257 1HB ASN 31 HB2 ASN 31 -15.364 4.497 5.693 258 2HB ASN 31 HB1 ASN 31 -14.579 2.977 5.274 259 1HD2 ASN 31 1HD2 ASN 31 -15.946 4.304 7.738 260 2HD2 ASN 31 2HD2 ASN 31 -14.914 3.826 9.038 261 H LYS 32 HN LYS 32 -12.232 4.828 2.733 262 HA LYS 32 HA LYS 32 -10.817 2.281 3.098 263 1HB LYS 32 HB2 LYS 32 -12.511 3.177 0.987 264 2HB LYS 32 HB1 LYS 32 -10.888 2.960 0.347 265 1HG LYS 32 HG2 LYS 32 -10.996 0.732 0.491 266 2HG LYS 32 HG1 LYS 32 -11.791 0.773 2.065 267 1HD LYS 32 HD2 LYS 32 -13.418 1.677 -0.223 268 2HD LYS 32 HD1 LYS 32 -12.998 -0.037 -0.206 269 1HE LYS 32 HE2 LYS 32 -13.780 0.058 2.266 270 2HE LYS 32 HE1 LYS 32 -14.593 1.542 1.773 271 1HZ LYS 32 HZ1 LYS 32 -14.961 -0.936 0.222 272 2HZ LYS 32 HZ2 LYS 32 -15.984 0.406 0.343 273 3HZ LYS 32 HZ3 LYS 32 -15.854 -0.679 1.634 274 H LEU 33 HN LEU 33 -9.926 4.965 3.838 275 HA LEU 33 HA LEU 33 -8.050 6.080 2.131 276 1HB LEU 33 HB2 LEU 33 -8.858 6.790 4.495 277 2HB LEU 33 HB1 LEU 33 -7.530 5.805 5.072 278 HG LEU 33 HG LEU 33 -7.309 8.229 3.291 279 1HD1 LEU 33 1HD1 LEU 33 -5.870 8.882 5.390 280 2HD1 LEU 33 2HD1 LEU 33 -6.930 7.727 6.197 281 3HD1 LEU 33 3HD1 LEU 33 -7.617 9.125 5.370 282 1HD2 LEU 33 1HD2 LEU 33 -5.602 6.697 2.632 283 2HD2 LEU 33 2HD2 LEU 33 -5.216 6.318 4.310 284 3HD2 LEU 33 3HD2 LEU 33 -4.853 7.918 3.662 285 H GLU 34 HN GLU 34 -7.063 4.324 0.979 286 HA GLU 34 HA GLU 34 -4.947 2.978 2.522 287 1HB GLU 34 HB2 GLU 34 -7.048 1.715 1.259 288 2HB GLU 34 HB1 GLU 34 -5.753 1.593 0.075 289 1HG GLU 34 HG2 GLU 34 -4.925 0.940 2.797 290 2HG GLU 34 HG1 GLU 34 -6.178 -0.121 2.153 291 H PHE 35 HN PHE 35 -3.251 2.040 0.858 292 HA PHE 35 HA PHE 35 -2.605 4.225 -1.004 293 1HB PHE 35 HB2 PHE 35 -0.176 3.054 -0.381 294 2HB PHE 35 HB1 PHE 35 -0.794 4.567 0.264 295 HD1 PHE 35 HD1 PHE 35 0.777 1.712 1.189 296 HD2 PHE 35 HD2 PHE 35 -2.637 4.004 2.278 297 HE1 PHE 35 HE1 PHE 35 0.870 0.770 3.460 298 HE2 PHE 35 HE2 PHE 35 -2.550 3.067 4.548 299 HZ PHE 35 HZ PHE 35 -0.794 1.448 5.143 300 HA PRO 36 HA PRO 36 -1.940 1.715 -4.555 301 1HB PRO 36 HB2 PRO 36 0.853 1.929 -4.874 302 2HB PRO 36 HB1 PRO 36 -0.377 2.959 -5.608 303 1HG PRO 36 HG2 PRO 36 1.269 3.415 -3.172 304 2HG PRO 36 HG1 PRO 36 0.676 4.582 -4.368 305 1HD PRO 36 HD2 PRO 36 -0.447 4.398 -1.957 306 2HD PRO 36 HD1 PRO 36 -1.437 4.683 -3.403 307 H GLY 37 HN GLY 37 -0.772 -0.235 -5.392 308 1HA GLY 37 HA2 GLY 37 0.611 -2.145 -4.965 309 2HA GLY 37 HA1 GLY 37 0.444 -1.821 -3.263 310 H GLY 38 HN GLY 38 -1.665 -2.366 -5.967 311 1HA GLY 38 HA2 GLY 38 -3.061 -4.478 -4.471 312 2HA GLY 38 HA1 GLY 38 -3.959 -3.226 -5.328 313 H LYS 39 HN LYS 39 -2.619 -6.314 -5.553 314 HA LYS 39 HA LYS 39 -3.393 -7.677 -7.398 315 1HB LYS 39 HB2 LYS 39 -4.003 -5.760 -8.831 316 2HB LYS 39 HB1 LYS 39 -2.296 -5.462 -9.138 317 1HG LYS 39 HG2 LYS 39 -2.235 -6.989 -10.745 318 2HG LYS 39 HG1 LYS 39 -3.000 -8.201 -9.715 319 1HD LYS 39 HD2 LYS 39 -4.838 -6.121 -10.628 320 2HD LYS 39 HD1 LYS 39 -4.121 -7.053 -11.944 321 1HE LYS 39 HE2 LYS 39 -5.261 -8.912 -11.409 322 2HE LYS 39 HE1 LYS 39 -5.030 -8.671 -9.678 323 1HZ LYS 39 HZ1 LYS 39 -7.248 -8.314 -9.804 324 2HZ LYS 39 HZ2 LYS 39 -7.204 -7.774 -11.406 325 3HZ LYS 39 HZ3 LYS 39 -6.746 -6.737 -10.151 326 H ILE 40 HN ILE 40 -0.655 -6.667 -6.005 327 HA ILE 40 HA ILE 40 1.443 -7.466 -7.630 328 HB ILE 40 HB ILE 40 2.821 -7.545 -5.802 329 1HG1 ILE 40 2HG1 ILE 40 0.828 -7.976 -3.664 330 2HG1 ILE 40 1HG1 ILE 40 1.073 -9.351 -4.733 331 1HG2 ILE 40 1HG2 ILE 40 2.410 -5.582 -4.764 332 2HG2 ILE 40 2HG2 ILE 40 0.751 -6.017 -4.358 333 3HG2 ILE 40 3HG2 ILE 40 1.146 -5.488 -5.989 334 1HD1 ILE 40 1HD1 ILE 40 3.003 -9.853 -3.793 335 2HD1 ILE 40 2HD1 ILE 40 2.587 -8.694 -2.534 336 3HD1 ILE 40 3HD1 ILE 40 3.581 -8.192 -3.901 337 H GLU 41 HN GLU 41 -0.905 -9.289 -5.971 338 HA GLU 41 HA GLU 41 0.109 -11.767 -5.625 339 1HB GLU 41 HB2 GLU 41 -2.261 -12.547 -6.420 340 2HB GLU 41 HB1 GLU 41 -2.081 -11.585 -4.964 341 1HG GLU 41 HG2 GLU 41 -3.420 -10.034 -5.775 342 2HG GLU 41 HG1 GLU 41 -2.395 -9.819 -7.183 343 H MET 42 HN MET 42 -1.893 -11.327 -8.507 344 HA MET 42 HA MET 42 -1.819 -12.466 -10.504 345 1HB MET 42 HB2 MET 42 0.840 -11.061 -10.318 346 2HB MET 42 HB1 MET 42 0.301 -11.868 -11.785 347 1HG MET 42 HG2 MET 42 -1.196 -9.657 -10.401 348 2HG MET 42 HG1 MET 42 -0.112 -9.435 -11.774 349 1HE MET 42 HE1 MET 42 -0.324 -10.013 -13.870 350 2HE MET 42 HE2 MET 42 -1.870 -9.890 -14.709 351 3HE MET 42 HE3 MET 42 -1.185 -11.475 -14.350 352 H GLY 43 HN GLY 43 1.646 -12.847 -9.936 353 1HA GLY 43 HA2 GLY 43 1.572 -15.533 -9.066 354 2HA GLY 43 HA1 GLY 43 1.740 -15.482 -10.806 355 H GLU 44 HN GLU 44 3.075 -13.100 -8.656 356 HA GLU 44 HA GLU 44 5.746 -13.813 -9.628 357 1HB GLU 44 HB2 GLU 44 4.437 -11.340 -8.749 358 2HB GLU 44 HB1 GLU 44 6.076 -11.530 -8.144 359 1HG GLU 44 HG2 GLU 44 6.642 -10.565 -10.079 360 2HG GLU 44 HG1 GLU 44 6.435 -12.189 -10.734 361 H THR 45 HN THR 45 7.389 -12.854 -7.663 362 HA THR 45 HA THR 45 6.875 -14.757 -5.485 363 HB THR 45 HB THR 45 9.548 -13.688 -5.470 364 HG1 THR 45 HG1 THR 45 10.230 -14.188 -7.475 365 1HG2 THR 45 1HG2 THR 45 9.769 -16.272 -6.339 366 2HG2 THR 45 2HG2 THR 45 8.244 -16.283 -5.453 367 3HG2 THR 45 3HG2 THR 45 9.723 -15.745 -4.656 368 HA PRO 46 HA PRO 46 6.378 -11.842 -2.231 369 1HB PRO 46 HB2 PRO 46 8.748 -12.384 -0.761 370 2HB PRO 46 HB1 PRO 46 7.138 -13.045 -0.478 371 1HG PRO 46 HG2 PRO 46 9.434 -14.230 -1.940 372 2HG PRO 46 HG1 PRO 46 8.163 -15.029 -0.995 373 1HD PRO 46 HD2 PRO 46 8.146 -15.123 -3.656 374 2HD PRO 46 HD1 PRO 46 6.632 -14.931 -2.750 375 H GLU 47 HN GLU 47 9.427 -11.985 -3.935 376 HA GLU 47 HA GLU 47 10.177 -9.318 -3.050 377 1HB GLU 47 HB2 GLU 47 11.542 -11.569 -4.401 378 2HB GLU 47 HB1 GLU 47 12.094 -9.955 -4.827 379 1HG GLU 47 HG2 GLU 47 13.462 -10.283 -3.075 380 2HG GLU 47 HG1 GLU 47 12.065 -9.706 -2.168 381 H GLN 48 HN GLN 48 9.804 -10.933 -6.245 382 HA GLN 48 HA GLN 48 9.707 -8.369 -7.557 383 1HB GLN 48 HB2 GLN 48 9.469 -9.653 -9.621 384 2HB GLN 48 HB1 GLN 48 10.796 -10.260 -8.642 385 1HG GLN 48 HG2 GLN 48 9.300 -12.055 -7.820 386 2HG GLN 48 HG1 GLN 48 8.065 -11.480 -8.941 387 1HE2 GLN 48 1HE2 GLN 48 11.308 -12.817 -8.720 388 2HE2 GLN 48 2HE2 GLN 48 11.325 -13.527 -10.295 389 H ALA 49 HN ALA 49 7.391 -10.080 -5.897 390 HA ALA 49 HA ALA 49 5.153 -9.882 -7.585 391 1HB ALA 49 HB1 ALA 49 3.818 -10.079 -5.530 392 2HB ALA 49 HB2 ALA 49 5.284 -9.850 -4.575 393 3HB ALA 49 HB3 ALA 49 5.115 -11.272 -5.605 394 H VAL 50 HN VAL 50 6.131 -7.752 -4.906 395 HA VAL 50 HA VAL 50 4.234 -5.746 -5.705 396 HB VAL 50 HB VAL 50 4.562 -5.772 -3.394 397 1HG1 VAL 50 1HG1 VAL 50 6.530 -7.047 -3.126 398 2HG1 VAL 50 2HG1 VAL 50 6.860 -5.486 -2.376 399 3HG1 VAL 50 3HG1 VAL 50 7.511 -5.852 -3.973 400 1HG2 VAL 50 1HG2 VAL 50 6.317 -3.529 -4.383 401 2HG2 VAL 50 2HG2 VAL 50 5.427 -3.579 -2.858 402 3HG2 VAL 50 3HG2 VAL 50 4.553 -3.514 -4.389 403 H VAL 51 HN VAL 51 7.758 -6.092 -5.862 404 HA VAL 51 HA VAL 51 8.463 -3.573 -6.711 405 HB VAL 51 HB VAL 51 9.668 -6.154 -7.730 406 1HG1 VAL 51 1HG1 VAL 51 10.357 -3.329 -8.063 407 2HG1 VAL 51 2HG1 VAL 51 10.853 -4.738 -9.002 408 3HG1 VAL 51 3HG1 VAL 51 11.694 -4.335 -7.504 409 1HG2 VAL 51 1HG2 VAL 51 9.447 -5.530 -5.131 410 2HG2 VAL 51 2HG2 VAL 51 10.924 -4.650 -5.518 411 3HG2 VAL 51 3HG2 VAL 51 10.833 -6.388 -5.803 412 H ARG 52 HN ARG 52 7.031 -6.176 -8.586 413 HA ARG 52 HA ARG 52 7.361 -4.778 -11.063 414 1HB ARG 52 HB2 ARG 52 6.403 -7.390 -10.231 415 2HB ARG 52 HB1 ARG 52 5.378 -6.688 -11.473 416 1HG ARG 52 HG2 ARG 52 6.830 -7.464 -12.957 417 2HG ARG 52 HG1 ARG 52 7.949 -6.223 -12.389 418 1HD ARG 52 HD2 ARG 52 9.245 -7.713 -11.314 419 2HD ARG 52 HD1 ARG 52 7.864 -8.639 -10.728 420 HE ARG 52 HE ARG 52 8.244 -10.099 -12.426 421 1HH1 ARG 52 1HH1 ARG 52 9.506 -6.989 -13.385 422 2HH1 ARG 52 2HH1 ARG 52 10.123 -7.566 -14.896 423 1HH2 ARG 52 1HH2 ARG 52 9.055 -10.860 -14.413 424 2HH2 ARG 52 2HH2 ARG 52 9.867 -9.764 -15.480 425 H GLU 53 HN GLU 53 4.571 -5.556 -9.008 426 HA GLU 53 HA GLU 53 2.700 -4.082 -10.506 427 1HB GLU 53 HB2 GLU 53 2.769 -5.491 -7.963 428 2HB GLU 53 HB1 GLU 53 1.780 -4.039 -7.880 429 1HG GLU 53 HG2 GLU 53 1.478 -6.230 -9.920 430 2HG GLU 53 HG1 GLU 53 0.488 -6.029 -8.477 431 H LEU 54 HN LEU 54 5.178 -3.106 -8.346 432 HA LEU 54 HA LEU 54 4.162 -0.741 -7.287 433 1HB LEU 54 HB2 LEU 54 6.553 -2.045 -7.186 434 2HB LEU 54 HB1 LEU 54 6.973 -0.646 -8.156 435 HG LEU 54 HG LEU 54 5.929 0.763 -6.315 436 1HD1 LEU 54 1HD1 LEU 54 4.843 -0.319 -4.715 437 2HD1 LEU 54 2HD1 LEU 54 6.402 -0.918 -4.147 438 3HD1 LEU 54 3HD1 LEU 54 5.447 -1.875 -5.278 439 1HD2 LEU 54 1HD2 LEU 54 8.157 1.041 -6.250 440 2HD2 LEU 54 2HD2 LEU 54 8.483 -0.691 -6.310 441 3HD2 LEU 54 3HD2 LEU 54 8.030 0.068 -4.784 442 H GLN 55 HN GLN 55 5.803 -1.344 -10.363 443 HA GLN 55 HA GLN 55 5.783 1.347 -11.244 444 1HB GLN 55 HB2 GLN 55 6.579 -1.215 -12.282 445 2HB GLN 55 HB1 GLN 55 5.664 -0.348 -13.508 446 1HG GLN 55 HG2 GLN 55 8.072 0.052 -13.677 447 2HG GLN 55 HG1 GLN 55 7.169 1.532 -13.356 448 1HE2 GLN 55 1HE2 GLN 55 8.945 -1.047 -11.705 449 2HE2 GLN 55 2HE2 GLN 55 9.610 -0.039 -10.470 450 H GLU 56 HN GLU 56 3.428 -1.190 -11.205 451 HA GLU 56 HA GLU 56 1.668 -0.021 -13.145 452 1HB GLU 56 HB2 GLU 56 1.885 -2.504 -12.202 453 2HB GLU 56 HB1 GLU 56 0.653 -1.925 -11.096 454 1HG GLU 56 HG2 GLU 56 0.238 -1.404 -13.979 455 2HG GLU 56 HG1 GLU 56 0.072 -3.067 -13.418 456 H GLU 57 HN GLU 57 2.091 0.176 -9.669 457 HA GLU 57 HA GLU 57 -0.329 1.826 -9.526 458 1HB GLU 57 HB2 GLU 57 0.509 -0.274 -7.897 459 2HB GLU 57 HB1 GLU 57 0.766 1.180 -6.937 460 1HG GLU 57 HG2 GLU 57 -1.390 1.180 -6.447 461 2HG GLU 57 HG1 GLU 57 -1.734 1.504 -8.143 462 H VAL 58 HN VAL 58 2.760 2.381 -10.062 463 HA VAL 58 HA VAL 58 2.715 4.906 -8.562 464 HB VAL 58 HB VAL 58 5.204 3.228 -8.952 465 1HG1 VAL 58 1HG1 VAL 58 4.710 5.986 -8.098 466 2HG1 VAL 58 2HG1 VAL 58 6.179 5.235 -8.724 467 3HG1 VAL 58 3HG1 VAL 58 5.759 5.066 -7.020 468 1HG2 VAL 58 1HG2 VAL 58 5.075 2.492 -6.789 469 2HG2 VAL 58 2HG2 VAL 58 3.366 2.517 -7.222 470 3HG2 VAL 58 3HG2 VAL 58 4.057 3.836 -6.276 471 H GLY 59 HN GLY 59 4.127 3.030 -11.199 472 1HA GLY 59 HA2 GLY 59 4.617 3.599 -13.347 473 2HA GLY 59 HA1 GLY 59 3.657 5.034 -13.117 474 H ILE 60 HN ILE 60 5.197 6.184 -11.083 475 HA ILE 60 HA ILE 60 7.261 7.371 -12.650 476 HB ILE 60 HB ILE 60 7.711 8.370 -10.175 477 1HG1 ILE 60 2HG1 ILE 60 4.744 8.318 -10.152 478 2HG1 ILE 60 1HG1 ILE 60 5.611 6.930 -9.510 479 1HG2 ILE 60 1HG2 ILE 60 6.633 10.339 -10.910 480 2HG2 ILE 60 2HG2 ILE 60 5.538 9.428 -11.950 481 3HG2 ILE 60 3HG2 ILE 60 7.251 9.535 -12.352 482 1HD1 ILE 60 1HD1 ILE 60 5.224 8.303 -7.667 483 2HD1 ILE 60 2HD1 ILE 60 5.678 9.759 -8.551 484 3HD1 ILE 60 3HD1 ILE 60 6.911 8.584 -8.096 485 H THR 61 HN THR 61 9.347 7.908 -11.186 486 HA THR 61 HA THR 61 10.476 5.303 -10.441 487 HB THR 61 HB THR 61 12.613 6.804 -10.943 488 HG1 THR 61 HG1 THR 61 12.237 8.493 -12.120 489 1HG2 THR 61 1HG2 THR 61 12.710 5.960 -13.191 490 2HG2 THR 61 2HG2 THR 61 10.965 5.684 -13.190 491 3HG2 THR 61 3HG2 THR 61 12.014 4.723 -12.142 492 HA PRO 62 HA PRO 62 10.954 7.785 -6.636 493 1HB PRO 62 HB2 PRO 62 9.190 6.607 -5.120 494 2HB PRO 62 HB1 PRO 62 8.617 7.441 -6.569 495 1HG PRO 62 HG2 PRO 62 8.943 4.518 -6.084 496 2HG PRO 62 HG1 PRO 62 7.700 5.369 -7.017 497 1HD PRO 62 HD2 PRO 62 10.141 4.206 -7.988 498 2HD PRO 62 HD1 PRO 62 8.917 5.107 -8.899 499 H GLN 63 HN GLN 63 12.267 7.422 -4.844 500 HA GLN 63 HA GLN 63 13.551 4.842 -4.616 501 1HB GLN 63 HB2 GLN 63 13.703 7.061 -2.572 502 2HB GLN 63 HB1 GLN 63 14.895 5.815 -2.913 503 1HG GLN 63 HG2 GLN 63 15.474 6.845 -4.990 504 2HG GLN 63 HG1 GLN 63 14.162 8.009 -4.830 505 1HE2 GLN 63 1HE2 GLN 63 16.694 6.845 -2.633 506 2HE2 GLN 63 2HE2 GLN 63 17.313 8.409 -2.241 507 H HIS 64 HN HIS 64 11.613 3.702 -4.396 508 HA HIS 64 HA HIS 64 10.326 3.893 -1.760 509 1HB HIS 64 HB2 HIS 64 8.688 4.519 -3.312 510 2HB HIS 64 HB1 HIS 64 9.313 3.442 -4.519 511 HD1 HIS 64 HD1 HIS 64 8.595 1.908 -1.223 512 HD2 HIS 64 HD2 HIS 64 6.667 2.474 -4.853 513 HE1 HIS 64 HE1 HIS 64 6.635 0.340 -1.191 514 HE2 HIS 64 HE2 HIS 64 5.368 0.873 -3.297 515 H PHE 65 HN PHE 65 10.427 2.157 -0.497 516 HA PHE 65 HA PHE 65 10.325 -0.508 -1.373 517 1HB PHE 65 HB2 PHE 65 12.702 0.512 -2.023 518 2HB PHE 65 HB1 PHE 65 13.052 0.090 -0.356 519 HD1 PHE 65 HD1 PHE 65 14.426 -1.781 -0.422 520 HD2 PHE 65 HD2 PHE 65 10.982 -1.639 -2.917 521 HE1 PHE 65 HE1 PHE 65 14.840 -4.105 -1.119 522 HE2 PHE 65 HE2 PHE 65 11.388 -3.962 -3.618 523 HZ PHE 65 HZ PHE 65 13.319 -5.198 -2.721 524 H SER 66 HN SER 66 12.388 -1.186 0.808 525 HA SER 66 HA SER 66 12.381 -1.772 2.987 526 1HB SER 66 HB2 SER 66 11.626 1.054 2.898 527 2HB SER 66 HB1 SER 66 11.098 0.235 4.368 528 HG SER 66 HG SER 66 13.685 0.694 3.408 529 H LEU 67 HN LEU 67 11.095 -2.486 4.785 530 HA LEU 67 HA LEU 67 8.267 -2.891 4.075 531 1HB LEU 67 HB2 LEU 67 9.453 -4.971 3.843 532 2HB LEU 67 HB1 LEU 67 10.196 -4.776 5.419 533 HG LEU 67 HG LEU 67 7.246 -4.822 5.421 534 1HD1 LEU 67 1HD1 LEU 67 7.589 -7.459 5.434 535 2HD1 LEU 67 2HD1 LEU 67 8.872 -7.031 4.303 536 3HD1 LEU 67 3HD1 LEU 67 7.206 -6.562 3.965 537 1HD2 LEU 67 1HD2 LEU 67 8.728 -6.692 7.093 538 2HD2 LEU 67 2HD2 LEU 67 7.568 -5.442 7.542 539 3HD2 LEU 67 3HD2 LEU 67 9.262 -5.022 7.281 540 H PHE 68 HN PHE 68 7.081 -1.631 5.365 541 HA PHE 68 HA PHE 68 7.977 -0.854 7.976 542 1HB PHE 68 HB2 PHE 68 6.636 0.867 7.490 543 2HB PHE 68 HB1 PHE 68 5.989 0.013 6.099 544 HD1 PHE 68 HD1 PHE 68 3.938 -1.301 6.301 545 HD2 PHE 68 HD2 PHE 68 5.421 1.008 9.546 546 HE1 PHE 68 HE1 PHE 68 1.738 -1.437 7.391 547 HE2 PHE 68 HE2 PHE 68 3.227 0.871 10.650 548 HZ PHE 68 HZ PHE 68 1.376 -0.345 9.569 549 H GLU 69 HN GLU 69 5.479 -2.989 6.677 550 HA GLU 69 HA GLU 69 5.620 -4.769 8.867 551 1HB GLU 69 HB2 GLU 69 3.855 -2.532 9.196 552 2HB GLU 69 HB1 GLU 69 2.901 -4.003 9.079 553 1HG GLU 69 HG2 GLU 69 4.186 -4.996 10.891 554 2HG GLU 69 HG1 GLU 69 5.176 -3.542 10.995 555 H LYS 70 HN LYS 70 3.902 -6.487 8.709 556 HA LYS 70 HA LYS 70 2.641 -6.650 6.077 557 1HB LYS 70 HB2 LYS 70 3.521 -8.988 5.803 558 2HB LYS 70 HB1 LYS 70 4.732 -7.723 5.649 559 1HG LYS 70 HG2 LYS 70 4.337 -8.963 8.318 560 2HG LYS 70 HG1 LYS 70 5.166 -9.897 7.071 561 1HD LYS 70 HD2 LYS 70 7.025 -8.671 7.253 562 2HD LYS 70 HD1 LYS 70 6.121 -7.156 7.215 563 1HE LYS 70 HE2 LYS 70 7.452 -7.636 9.322 564 2HE LYS 70 HE1 LYS 70 5.759 -7.191 9.540 565 1HZ LYS 70 HZ1 LYS 70 6.688 -9.178 10.842 566 2HZ LYS 70 HZ2 LYS 70 6.560 -10.026 9.383 567 3HZ LYS 70 HZ3 LYS 70 5.181 -9.350 10.091 568 H LEU 71 HN LEU 71 0.677 -7.574 6.154 569 HA LEU 71 HA LEU 71 -0.068 -8.997 8.623 570 1HB LEU 71 HB2 LEU 71 -1.228 -6.912 8.539 571 2HB LEU 71 HB1 LEU 71 -1.675 -7.154 6.861 572 HG LEU 71 HG LEU 71 -2.958 -9.236 7.805 573 1HD1 LEU 71 1HD1 LEU 71 -2.339 -7.618 10.224 574 2HD1 LEU 71 2HD1 LEU 71 -2.440 -9.368 10.031 575 3HD1 LEU 71 3HD1 LEU 71 -3.914 -8.401 10.102 576 1HD2 LEU 71 1HD2 LEU 71 -4.843 -8.031 7.500 577 2HD2 LEU 71 2HD2 LEU 71 -3.704 -6.813 6.923 578 3HD2 LEU 71 3HD2 LEU 71 -4.318 -6.734 8.575 579 H GLU 72 HN GLU 72 -0.609 -11.061 8.378 580 HA GLU 72 HA GLU 72 -1.542 -11.966 5.737 581 1HB GLU 72 HB2 GLU 72 0.591 -12.911 5.934 582 2HB GLU 72 HB1 GLU 72 0.409 -13.198 7.659 583 1HG GLU 72 HG2 GLU 72 -0.883 -15.091 7.338 584 2HG GLU 72 HG1 GLU 72 -1.305 -14.643 5.686 585 H TYR 73 HN TYR 73 -3.649 -12.369 5.896 586 HA TYR 73 HA TYR 73 -4.584 -14.099 8.062 587 1HB TYR 73 HB2 TYR 73 -5.078 -11.758 8.727 588 2HB TYR 73 HB1 TYR 73 -6.008 -11.557 7.245 589 HD1 TYR 73 HD1 TYR 73 -5.873 -13.385 10.461 590 HD2 TYR 73 HD2 TYR 73 -8.250 -12.312 7.099 591 HE1 TYR 73 HE1 TYR 73 -7.873 -14.236 11.610 592 HE2 TYR 73 HE2 TYR 73 -10.257 -13.159 8.240 593 HH TYR 73 HH TYR 73 -11.048 -13.641 10.459 594 H GLU 74 HN GLU 74 -6.518 -15.268 7.561 595 HA GLU 74 HA GLU 74 -7.063 -15.372 4.668 596 1HB GLU 74 HB2 GLU 74 -7.898 -17.775 5.340 597 2HB GLU 74 HB1 GLU 74 -6.197 -17.462 5.029 598 1HG GLU 74 HG2 GLU 74 -5.978 -17.096 7.534 599 2HG GLU 74 HG1 GLU 74 -7.581 -17.816 7.666 600 H PHE 75 HN PHE 75 -9.091 -15.401 3.942 601 HA PHE 75 HA PHE 75 -11.212 -14.806 5.880 602 1HB PHE 75 HB2 PHE 75 -10.486 -13.683 3.332 603 2HB PHE 75 HB1 PHE 75 -12.129 -14.306 3.252 604 HD1 PHE 75 HD1 PHE 75 -13.583 -12.531 3.392 605 HD2 PHE 75 HD2 PHE 75 -10.219 -12.657 5.995 606 HE1 PHE 75 HE1 PHE 75 -14.399 -10.513 4.536 607 HE2 PHE 75 HE2 PHE 75 -11.030 -10.639 7.146 608 HZ PHE 75 HZ PHE 75 -13.122 -9.564 6.417 609 HA PRO 76 HA PRO 76 -13.805 -18.325 5.324 610 1HB PRO 76 HB2 PRO 76 -15.627 -16.701 3.620 611 2HB PRO 76 HB1 PRO 76 -15.994 -17.699 5.029 612 1HG PRO 76 HG2 PRO 76 -15.836 -14.981 5.099 613 2HG PRO 76 HG1 PRO 76 -15.528 -16.022 6.497 614 1HD PRO 76 HD2 PRO 76 -13.662 -14.412 4.940 615 2HD PRO 76 HD1 PRO 76 -13.427 -15.184 6.515 616 H ASP 77 HN ASP 77 -12.080 -19.158 3.910 617 HA ASP 77 HA ASP 77 -11.521 -20.415 2.080 618 1HB ASP 77 HB2 ASP 77 -14.149 -20.608 1.948 619 2HB ASP 77 HB1 ASP 77 -13.948 -19.543 0.560 620 H ARG 78 HN ARG 78 -11.167 -17.436 2.432 621 HA ARG 78 HA ARG 78 -10.173 -16.901 -0.268 622 1HB ARG 78 HB2 ARG 78 -12.421 -15.711 0.422 623 2HB ARG 78 HB1 ARG 78 -11.350 -14.663 1.340 624 1HG ARG 78 HG2 ARG 78 -10.072 -14.547 -0.974 625 2HG ARG 78 HG1 ARG 78 -11.675 -14.947 -1.594 626 1HD ARG 78 HD2 ARG 78 -12.507 -13.036 -0.091 627 2HD ARG 78 HD1 ARG 78 -10.815 -12.550 -0.009 628 HE ARG 78 HE ARG 78 -11.335 -12.838 -2.680 629 1HH1 ARG 78 1HH1 ARG 78 -12.700 -10.953 -0.080 630 2HH1 ARG 78 2HH1 ARG 78 -13.189 -9.652 -1.113 631 1HH2 ARG 78 1HH2 ARG 78 -11.976 -11.127 -4.039 632 2HH2 ARG 78 2HH2 ARG 78 -12.778 -9.750 -3.360 633 H HIS 79 HN HIS 79 -8.051 -17.279 0.365 634 HA HIS 79 HA HIS 79 -6.941 -16.140 2.740 635 1HB HIS 79 HB2 HIS 79 -6.203 -18.180 1.072 636 2HB HIS 79 HB1 HIS 79 -5.058 -16.923 0.617 637 HD1 HIS 79 HD1 HIS 79 -3.977 -15.742 2.982 638 HD2 HIS 79 HD2 HIS 79 -5.200 -19.712 3.042 639 HE1 HIS 79 HE1 HIS 79 -2.774 -16.785 4.928 640 HE2 HIS 79 HE2 HIS 79 -3.463 -19.208 4.893 641 H ILE 80 HN ILE 80 -7.028 -13.949 2.793 642 HA ILE 80 HA ILE 80 -5.985 -12.442 0.518 643 HB ILE 80 HB ILE 80 -8.079 -11.586 1.201 644 1HG1 ILE 80 2HG1 ILE 80 -6.224 -9.763 2.695 645 2HG1 ILE 80 1HG1 ILE 80 -6.077 -9.959 0.953 646 1HG2 ILE 80 1HG2 ILE 80 -8.471 -10.865 3.589 647 2HG2 ILE 80 2HG2 ILE 80 -7.022 -11.778 4.009 648 3HG2 ILE 80 3HG2 ILE 80 -8.412 -12.605 3.306 649 1HD1 ILE 80 1HD1 ILE 80 -8.750 -9.479 1.265 650 2HD1 ILE 80 2HD1 ILE 80 -7.532 -8.279 0.830 651 3HD1 ILE 80 3HD1 ILE 80 -8.026 -8.464 2.512 652 H THR 81 HN THR 81 -3.871 -12.064 0.574 653 HA THR 81 HA THR 81 -2.534 -11.728 3.164 654 HB THR 81 HB THR 81 -0.794 -11.730 0.830 655 HG1 THR 81 HG1 THR 81 -2.516 -13.946 1.219 656 1HG2 THR 81 1HG2 THR 81 -0.149 -12.238 3.204 657 2HG2 THR 81 2HG2 THR 81 0.414 -13.384 1.987 658 3HG2 THR 81 3HG2 THR 81 -0.969 -13.786 3.005 659 H LEU 82 HN LEU 82 -1.651 -9.825 3.783 660 HA LEU 82 HA LEU 82 -1.610 -7.642 1.804 661 1HB LEU 82 HB2 LEU 82 -2.648 -7.660 4.615 662 2HB LEU 82 HB1 LEU 82 -2.083 -6.170 3.885 663 HG LEU 82 HG LEU 82 -4.243 -7.884 2.666 664 1HD1 LEU 82 1HD1 LEU 82 -4.365 -6.202 4.986 665 2HD1 LEU 82 2HD1 LEU 82 -5.638 -7.162 4.231 666 3HD1 LEU 82 3HD1 LEU 82 -5.339 -5.511 3.687 667 1HD2 LEU 82 1HD2 LEU 82 -2.764 -5.995 1.468 668 2HD2 LEU 82 2HD2 LEU 82 -4.020 -4.980 2.176 669 3HD2 LEU 82 3HD2 LEU 82 -4.458 -6.288 1.078 670 H TRP 83 HN TRP 83 0.425 -7.037 1.452 671 HA TRP 83 HA TRP 83 2.327 -7.115 3.704 672 1HB TRP 83 HB2 TRP 83 3.249 -6.829 0.871 673 2HB TRP 83 HB1 TRP 83 4.077 -7.549 2.241 674 HD1 TRP 83 HD1 TRP 83 1.158 -9.438 2.597 675 HE1 TRP 83 HE1 TRP 83 1.134 -11.583 1.192 676 HE3 TRP 83 HE3 TRP 83 4.857 -8.269 -0.727 677 HZ2 TRP 83 HZ2 TRP 83 2.499 -12.649 -1.031 678 HZ3 TRP 83 HZ3 TRP 83 5.439 -9.911 -2.463 679 HH2 TRP 83 HH2 TRP 83 4.283 -12.057 -2.611 680 H PHE 84 HN PHE 84 2.925 -5.176 4.511 681 HA PHE 84 HA PHE 84 2.434 -2.805 2.846 682 1HB PHE 84 HB2 PHE 84 2.461 -3.226 5.819 683 2HB PHE 84 HB1 PHE 84 2.709 -1.621 5.146 684 HD1 PHE 84 HD1 PHE 84 0.452 -4.212 3.777 685 HD2 PHE 84 HD2 PHE 84 0.765 -0.545 5.921 686 HE1 PHE 84 HE1 PHE 84 -1.980 -3.902 3.597 687 HE2 PHE 84 HE2 PHE 84 -1.666 -0.232 5.742 688 HZ PHE 84 HZ PHE 84 -3.041 -1.910 4.579 689 H TRP 85 HN TRP 85 4.083 -1.671 2.076 690 HA TRP 85 HA TRP 85 6.775 -2.188 3.146 691 1HB TRP 85 HB2 TRP 85 6.019 -1.071 0.440 692 2HB TRP 85 HB1 TRP 85 7.631 -1.538 0.968 693 HD1 TRP 85 HD1 TRP 85 4.508 -2.919 -0.586 694 HE1 TRP 85 HE1 TRP 85 4.808 -5.431 -1.054 695 HE3 TRP 85 HE3 TRP 85 8.842 -3.720 2.008 696 HZ2 TRP 85 HZ2 TRP 85 6.638 -7.481 -0.409 697 HZ3 TRP 85 HZ3 TRP 85 9.800 -5.984 2.032 698 HH2 TRP 85 HH2 TRP 85 8.720 -7.827 0.848 699 H LEU 86 HN LEU 86 8.218 -0.450 3.522 700 HA LEU 86 HA LEU 86 6.846 2.087 4.036 701 1HB LEU 86 HB2 LEU 86 7.941 1.171 5.945 702 2HB LEU 86 HB1 LEU 86 9.436 0.952 5.060 703 HG LEU 86 HG LEU 86 9.296 3.578 4.810 704 1HD1 LEU 86 1HD1 LEU 86 7.037 3.597 5.930 705 2HD1 LEU 86 2HD1 LEU 86 8.240 4.698 6.604 706 3HD1 LEU 86 3HD1 LEU 86 7.871 3.183 7.427 707 1HD2 LEU 86 1HD2 LEU 86 11.192 2.941 5.867 708 2HD2 LEU 86 2HD2 LEU 86 10.349 1.830 6.947 709 3HD2 LEU 86 3HD2 LEU 86 10.334 3.563 7.277 710 H VAL 87 HN VAL 87 6.882 3.310 2.292 711 HA VAL 87 HA VAL 87 9.106 3.474 0.462 712 HB VAL 87 HB VAL 87 6.721 5.268 0.586 713 1HG1 VAL 87 1HG1 VAL 87 7.857 6.223 -1.085 714 2HG1 VAL 87 2HG1 VAL 87 7.294 4.850 -2.038 715 3HG1 VAL 87 3HG1 VAL 87 8.897 4.819 -1.308 716 1HG2 VAL 87 1HG2 VAL 87 6.900 2.419 -0.003 717 2HG2 VAL 87 2HG2 VAL 87 6.176 3.345 -1.323 718 3HG2 VAL 87 3HG2 VAL 87 5.474 3.418 0.292 719 H GLU 88 HN GLU 88 10.455 5.243 0.098 720 HA GLU 88 HA GLU 88 10.425 7.128 2.346 721 1HB GLU 88 HB2 GLU 88 12.420 5.725 2.235 722 2HB GLU 88 HB1 GLU 88 12.759 6.321 0.615 723 1HG GLU 88 HG2 GLU 88 13.634 8.246 1.363 724 2HG GLU 88 HG1 GLU 88 12.459 8.397 2.668 725 H ARG 89 HN ARG 89 10.643 7.100 -1.218 726 HA ARG 89 HA ARG 89 9.784 9.834 -1.244 727 1HB ARG 89 HB2 ARG 89 11.662 10.938 -2.008 728 2HB ARG 89 HB1 ARG 89 12.348 9.823 -0.837 729 1HG ARG 89 HG2 ARG 89 13.778 9.285 -2.457 730 2HG ARG 89 HG1 ARG 89 12.440 8.363 -3.146 731 1HD ARG 89 HD2 ARG 89 13.010 9.629 -4.959 732 2HD ARG 89 HD1 ARG 89 11.830 10.699 -4.205 733 HE ARG 89 HE ARG 89 14.250 11.413 -3.127 734 1HH1 ARG 89 1HH1 ARG 89 12.904 11.224 -6.341 735 2HH1 ARG 89 2HH1 ARG 89 13.881 12.512 -6.961 736 1HH2 ARG 89 1HH2 ARG 89 15.536 13.108 -3.940 737 2HH2 ARG 89 2HH2 ARG 89 15.376 13.581 -5.598 738 H TRP 90 HN TRP 90 9.606 10.718 -3.497 739 HA TRP 90 HA TRP 90 9.659 8.761 -5.610 740 1HB TRP 90 HB2 TRP 90 7.373 8.666 -6.102 741 2HB TRP 90 HB1 TRP 90 7.428 8.532 -4.352 742 HD1 TRP 90 HD1 TRP 90 6.836 11.285 -7.025 743 HE1 TRP 90 HE1 TRP 90 5.064 12.903 -6.096 744 HE3 TRP 90 HE3 TRP 90 6.240 9.247 -2.377 745 HZ2 TRP 90 HZ2 TRP 90 3.599 13.256 -3.715 746 HZ3 TRP 90 HZ3 TRP 90 4.623 10.280 -0.837 747 HH2 TRP 90 HH2 TRP 90 3.336 12.247 -1.491 748 H GLU 91 HN GLU 91 10.156 9.640 -7.518 749 HA GLU 91 HA GLU 91 10.579 12.477 -7.655 750 1HB GLU 91 HB2 GLU 91 12.068 10.760 -8.720 751 2HB GLU 91 HB1 GLU 91 10.787 10.447 -9.884 752 1HG GLU 91 HG2 GLU 91 11.354 13.262 -9.740 753 2HG GLU 91 HG1 GLU 91 12.825 12.344 -10.058 754 H GLY 92 HN GLY 92 9.480 14.000 -8.828 755 1HA GLY 92 HA2 GLY 92 7.718 14.982 -9.925 756 2HA GLY 92 HA1 GLY 92 7.514 13.456 -10.772 757 H GLU 93 HN GLU 93 5.537 12.666 -10.567 758 HA GLU 93 HA GLU 93 4.212 12.861 -7.952 759 1HB GLU 93 HB2 GLU 93 2.765 13.186 -10.580 760 2HB GLU 93 HB1 GLU 93 2.109 13.407 -8.965 761 1HG GLU 93 HG2 GLU 93 2.991 15.477 -8.735 762 2HG GLU 93 HG1 GLU 93 4.412 15.102 -9.709 763 HA PRO 94 HA PRO 94 3.515 8.525 -8.599 764 1HB PRO 94 HB2 PRO 94 1.342 8.550 -6.690 765 2HB PRO 94 HB1 PRO 94 2.984 7.946 -6.472 766 1HG PRO 94 HG2 PRO 94 2.002 10.144 -5.185 767 2HG PRO 94 HG1 PRO 94 3.720 9.906 -5.551 768 1HD PRO 94 HD2 PRO 94 1.681 11.556 -7.001 769 2HD PRO 94 HD1 PRO 94 3.372 11.941 -6.613 770 H TRP 95 HN TRP 95 2.395 7.507 -10.165 771 HA TRP 95 HA TRP 95 -0.415 8.254 -10.498 772 1HB TRP 95 HB2 TRP 95 -0.095 8.053 -12.997 773 2HB TRP 95 HB1 TRP 95 0.606 9.473 -12.241 774 HD1 TRP 95 HD1 TRP 95 3.258 9.670 -12.238 775 HE1 TRP 95 HE1 TRP 95 5.078 8.562 -13.692 776 HE3 TRP 95 HE3 TRP 95 0.548 5.740 -14.053 777 HZ2 TRP 95 HZ2 TRP 95 5.311 6.332 -15.397 778 HZ3 TRP 95 HZ3 TRP 95 1.640 4.171 -15.599 779 HH2 TRP 95 HH2 TRP 95 3.976 4.454 -16.246 780 H GLY 96 HN GLY 96 1.973 5.988 -11.848 781 1HA GLY 96 HA2 GLY 96 1.697 3.779 -12.503 782 2HA GLY 96 HA1 GLY 96 1.091 3.626 -10.868 783 H LYS 97 HN LYS 97 -1.041 3.260 -10.514 784 HA LYS 97 HA LYS 97 -3.153 3.818 -12.245 785 1HB LYS 97 HB2 LYS 97 -1.845 2.055 -13.593 786 2HB LYS 97 HB1 LYS 97 -2.437 0.901 -12.409 787 1HG LYS 97 HG2 LYS 97 -4.001 0.715 -14.079 788 2HG LYS 97 HG1 LYS 97 -4.766 1.884 -12.999 789 1HD LYS 97 HD2 LYS 97 -3.017 3.090 -15.014 790 2HD LYS 97 HD1 LYS 97 -4.397 2.220 -15.689 791 1HE LYS 97 HE2 LYS 97 -4.667 4.239 -13.476 792 2HE LYS 97 HE1 LYS 97 -4.747 4.680 -15.181 793 1HZ LYS 97 HZ1 LYS 97 -6.936 4.273 -14.102 794 2HZ LYS 97 HZ2 LYS 97 -6.508 2.645 -13.935 795 3HZ LYS 97 HZ3 LYS 97 -6.655 3.324 -15.476 796 H GLU 98 HN GLU 98 -2.507 3.743 -9.417 797 HA GLU 98 HA GLU 98 -3.821 1.602 -8.108 798 1HB GLU 98 HB2 GLU 98 -3.842 3.140 -6.140 799 2HB GLU 98 HB1 GLU 98 -2.261 2.961 -6.882 800 1HG GLU 98 HG2 GLU 98 -2.821 5.111 -8.150 801 2HG GLU 98 HG1 GLU 98 -4.113 5.306 -6.972 802 H GLY 99 HN GLY 99 -4.954 4.527 -9.613 803 1HA GLY 99 HA2 GLY 99 -7.075 5.282 -10.055 804 2HA GLY 99 HA1 GLY 99 -7.644 3.677 -9.626 805 H GLN 100 HN GLN 100 -5.867 5.756 -7.434 806 HA GLN 100 HA GLN 100 -8.332 6.436 -6.013 807 1HB GLN 100 HB2 GLN 100 -6.101 4.744 -4.980 808 2HB GLN 100 HB1 GLN 100 -6.900 5.846 -3.869 809 1HG GLN 100 HG2 GLN 100 -8.701 4.205 -5.501 810 2HG GLN 100 HG1 GLN 100 -7.697 3.314 -4.356 811 1HE2 GLN 100 1HE2 GLN 100 -9.735 2.789 -3.340 812 2HE2 GLN 100 2HE2 GLN 100 -10.447 3.909 -2.234 813 HA PRO 101 HA PRO 101 -5.935 10.299 -6.618 814 1HB PRO 101 HB2 PRO 101 -8.473 10.991 -5.175 815 2HB PRO 101 HB1 PRO 101 -7.638 11.891 -6.451 816 1HG PRO 101 HG2 PRO 101 -9.751 10.438 -7.058 817 2HG PRO 101 HG1 PRO 101 -8.323 10.393 -8.113 818 1HD PRO 101 HD2 PRO 101 -9.310 8.361 -6.172 819 2HD PRO 101 HD1 PRO 101 -8.454 8.134 -7.710 820 H GLY 102 HN GLY 102 -4.384 10.896 -5.229 821 1HA GLY 102 HA2 GLY 102 -5.018 10.948 -2.350 822 2HA GLY 102 HA1 GLY 102 -3.550 10.171 -2.919 823 H GLU 103 HN GLU 103 -3.068 11.984 -1.135 824 HA GLU 103 HA GLU 103 -1.769 14.115 -2.616 825 1HB GLU 103 HB2 GLU 103 -2.626 15.839 -0.981 826 2HB GLU 103 HB1 GLU 103 -3.810 15.243 -2.137 827 1HG GLU 103 HG2 GLU 103 -4.675 13.712 -0.407 828 2HG GLU 103 HG1 GLU 103 -3.539 14.415 0.743 829 H TRP 104 HN TRP 104 -0.118 15.220 -1.328 830 HA TRP 104 HA TRP 104 1.256 13.400 0.377 831 1HB TRP 104 HB2 TRP 104 1.993 16.298 0.393 832 2HB TRP 104 HB1 TRP 104 3.033 14.883 0.309 833 HD1 TRP 104 HD1 TRP 104 1.601 13.606 -2.320 834 HE1 TRP 104 HE1 TRP 104 2.098 14.682 -4.605 835 HE3 TRP 104 HE3 TRP 104 3.192 18.197 -0.729 836 HZ2 TRP 104 HZ2 TRP 104 3.040 17.149 -5.602 837 HZ3 TRP 104 HZ3 TRP 104 3.874 19.858 -2.412 838 HH2 TRP 104 HH2 TRP 104 3.799 19.342 -4.798 839 H MET 105 HN MET 105 0.434 12.912 2.311 840 HA MET 105 HA MET 105 -0.384 15.132 4.065 841 1HB MET 105 HB2 MET 105 -2.008 13.688 5.111 842 2HB MET 105 HB1 MET 105 -2.284 13.699 3.376 843 1HG MET 105 HG2 MET 105 -1.644 11.524 3.116 844 2HG MET 105 HG1 MET 105 -0.581 11.552 4.522 845 1HE MET 105 HE1 MET 105 -2.938 12.335 7.163 846 2HE MET 105 HE2 MET 105 -1.283 11.892 6.748 847 3HE MET 105 HE3 MET 105 -2.375 10.685 7.427 848 H SER 106 HN SER 106 0.197 15.021 6.251 849 HA SER 106 HA SER 106 2.692 13.745 6.756 850 1HB SER 106 HB2 SER 106 2.453 14.695 9.036 851 2HB SER 106 HB1 SER 106 2.166 15.897 7.777 852 HG SER 106 HG SER 106 0.283 16.186 8.636 853 H LEU 107 HN LEU 107 2.940 11.665 7.202 854 HA LEU 107 HA LEU 107 0.866 9.912 7.917 855 1HB LEU 107 HB2 LEU 107 3.356 9.561 6.991 856 2HB LEU 107 HB1 LEU 107 3.641 9.201 8.683 857 HG LEU 107 HG LEU 107 3.217 7.157 7.449 858 1HD1 LEU 107 1HD1 LEU 107 1.599 6.197 8.873 859 2HD1 LEU 107 2HD1 LEU 107 0.773 7.738 9.099 860 3HD1 LEU 107 3HD1 LEU 107 2.369 7.480 9.807 861 1HD2 LEU 107 1HD2 LEU 107 1.588 6.871 5.934 862 2HD2 LEU 107 2HD2 LEU 107 1.524 8.634 5.919 863 3HD2 LEU 107 3HD2 LEU 107 0.390 7.720 6.912 864 H VAL 108 HN VAL 108 2.717 12.074 9.812 865 HA VAL 108 HA VAL 108 2.781 10.792 12.287 866 HB VAL 108 HB VAL 108 4.011 12.861 11.814 867 1HG1 VAL 108 1HG1 VAL 108 1.711 13.812 10.757 868 2HG1 VAL 108 2HG1 VAL 108 3.072 14.825 11.239 869 3HG1 VAL 108 3HG1 VAL 108 1.702 14.609 12.329 870 1HG2 VAL 108 1HG2 VAL 108 2.115 13.281 14.118 871 2HG2 VAL 108 2HG2 VAL 108 3.773 13.864 13.966 872 3HG2 VAL 108 3HG2 VAL 108 3.458 12.138 14.148 873 H GLY 109 HN GLY 109 0.061 11.734 10.529 874 1HA GLY 109 HA2 GLY 109 -1.581 11.595 12.967 875 2HA GLY 109 HA1 GLY 109 -1.911 12.788 11.720 876 H LEU 110 HN LEU 110 -1.095 9.338 11.576 877 HA LEU 110 HA LEU 110 -2.830 8.764 9.444 878 1HB LEU 110 HB2 LEU 110 -0.822 7.448 10.557 879 2HB LEU 110 HB1 LEU 110 -2.116 6.677 11.446 880 HG LEU 110 HG LEU 110 -1.501 5.331 9.529 881 1HD1 LEU 110 1HD1 LEU 110 -4.019 5.934 10.252 882 2HD1 LEU 110 2HD1 LEU 110 -3.614 4.765 8.998 883 3HD1 LEU 110 3HD1 LEU 110 -4.062 6.410 8.554 884 1HD2 LEU 110 1HD2 LEU 110 -1.040 7.723 8.273 885 2HD2 LEU 110 2HD2 LEU 110 -2.509 7.147 7.485 886 3HD2 LEU 110 3HD2 LEU 110 -1.060 6.140 7.498 887 H ASN 111 HN ASN 111 -4.909 7.932 9.367 888 HA ASN 111 HA ASN 111 -6.356 7.892 11.927 889 1HB ASN 111 HB2 ASN 111 -6.783 9.561 9.710 890 2HB ASN 111 HB1 ASN 111 -8.103 8.395 9.693 891 1HD2 ASN 111 1HD2 ASN 111 -8.478 7.949 12.364 892 2HD2 ASN 111 2HD2 ASN 111 -9.027 9.400 13.125 893 H ALA 112 HN ALA 112 -7.006 5.959 12.490 894 HA ALA 112 HA ALA 112 -7.191 3.786 10.645 895 1HB ALA 112 HB1 ALA 112 -6.615 3.695 13.157 896 2HB ALA 112 HB2 ALA 112 -7.629 2.415 12.487 897 3HB ALA 112 HB3 ALA 112 -8.359 3.731 13.411 898 H ASP 113 HN ASP 113 -9.297 6.289 11.574 899 HA ASP 113 HA ASP 113 -11.766 4.874 11.183 900 1HB ASP 113 HB2 ASP 113 -10.947 7.481 12.113 901 2HB ASP 113 HB1 ASP 113 -12.243 7.636 10.932 902 H ASP 114 HN ASP 114 -9.933 7.302 9.329 903 HA ASP 114 HA ASP 114 -11.703 7.343 7.123 904 1HB ASP 114 HB2 ASP 114 -9.273 8.639 7.888 905 2HB ASP 114 HB1 ASP 114 -9.140 8.094 6.223 906 H PHE 115 HN PHE 115 -8.890 5.401 7.887 907 HA PHE 115 HA PHE 115 -8.759 4.244 5.243 908 1HB PHE 115 HB2 PHE 115 -6.723 3.465 5.878 909 2HB PHE 115 HB1 PHE 115 -6.905 4.600 7.216 910 HD1 PHE 115 HD1 PHE 115 -8.753 3.332 8.955 911 HD2 PHE 115 HD2 PHE 115 -5.639 1.582 6.672 912 HE1 PHE 115 HE1 PHE 115 -8.630 1.483 10.570 913 HE2 PHE 115 HE2 PHE 115 -5.506 -0.273 8.274 914 HZ PHE 115 HZ PHE 115 -7.006 -0.323 10.222 915 HA PRO 116 HA PRO 116 -11.251 0.654 5.977 916 1HB PRO 116 HB2 PRO 116 -9.798 -1.462 5.137 917 2HB PRO 116 HB1 PRO 116 -10.434 -0.252 4.016 918 1HG PRO 116 HG2 PRO 116 -7.675 -0.532 5.137 919 2HG PRO 116 HG1 PRO 116 -8.177 -0.135 3.485 920 1HD PRO 116 HD2 PRO 116 -7.358 1.730 5.300 921 2HD PRO 116 HD1 PRO 116 -8.492 2.083 3.984 922 HA PRO 117 HA PRO 117 -10.107 -0.569 10.147 923 1HB PRO 117 HB2 PRO 117 -12.211 -2.316 10.506 924 2HB PRO 117 HB1 PRO 117 -12.295 -0.571 10.765 925 1HG PRO 117 HG2 PRO 117 -13.145 -2.179 8.391 926 2HG PRO 117 HG1 PRO 117 -13.953 -0.801 9.161 927 1HD PRO 117 HD2 PRO 117 -12.560 -0.511 6.892 928 2HD PRO 117 HD1 PRO 117 -12.555 0.748 8.145 929 H ALA 118 HN ALA 118 -10.360 -2.642 7.414 930 HA ALA 118 HA ALA 118 -9.804 -5.117 8.647 931 1HB ALA 118 HB1 ALA 118 -9.756 -5.987 6.549 932 2HB ALA 118 HB2 ALA 118 -8.861 -4.622 5.881 933 3HB ALA 118 HB3 ALA 118 -10.587 -4.470 6.206 934 H ASN 119 HN ASN 119 -7.806 -2.409 8.318 935 HA ASN 119 HA ASN 119 -5.437 -4.104 8.746 936 1HB ASN 119 HB2 ASN 119 -5.923 -2.229 6.614 937 2HB ASN 119 HB1 ASN 119 -4.543 -1.698 7.567 938 1HD2 ASN 119 1HD2 ASN 119 -5.035 -3.046 4.842 939 2HD2 ASN 119 2HD2 ASN 119 -3.842 -4.295 4.807 940 H GLU 120 HN GLU 120 -7.053 -2.955 10.797 941 HA GLU 120 HA GLU 120 -5.882 -0.523 11.719 942 1HB GLU 120 HB2 GLU 120 -8.075 -2.146 12.462 943 2HB GLU 120 HB1 GLU 120 -7.052 -1.989 13.882 944 1HG GLU 120 HG2 GLU 120 -7.326 0.296 13.994 945 2HG GLU 120 HG1 GLU 120 -7.773 0.428 12.293 946 HA PRO 121 HA PRO 121 -3.579 -3.681 14.754 947 1HB PRO 121 HB2 PRO 121 -3.067 -5.723 12.649 948 2HB PRO 121 HB1 PRO 121 -3.364 -5.941 14.379 949 1HG PRO 121 HG2 PRO 121 -5.259 -6.507 12.599 950 2HG PRO 121 HG1 PRO 121 -5.666 -5.730 14.142 951 1HD PRO 121 HD2 PRO 121 -5.470 -4.537 11.409 952 2HD PRO 121 HD1 PRO 121 -6.611 -4.175 12.721 953 H VAL 122 HN VAL 122 -2.922 -3.552 11.282 954 HA VAL 122 HA VAL 122 -0.079 -3.352 11.595 955 HB VAL 122 HB VAL 122 -1.512 -2.525 9.098 956 1HG1 VAL 122 1HG1 VAL 122 0.826 -2.288 8.968 957 2HG1 VAL 122 2HG1 VAL 122 0.452 -3.778 8.102 958 3HG1 VAL 122 3HG1 VAL 122 1.105 -3.848 9.740 959 1HG2 VAL 122 1HG2 VAL 122 -2.696 -4.502 9.559 960 2HG2 VAL 122 2HG2 VAL 122 -1.253 -5.324 10.155 961 3HG2 VAL 122 3HG2 VAL 122 -1.422 -4.975 8.435 962 H ILE 123 HN ILE 123 -2.640 -1.126 10.556 963 HA ILE 123 HA ILE 123 -0.959 1.138 10.350 964 HB ILE 123 HB ILE 123 -3.938 0.788 10.505 965 1HG1 ILE 123 2HG1 ILE 123 -2.131 0.534 8.450 966 2HG1 ILE 123 1HG1 ILE 123 -3.850 0.838 8.251 967 1HG2 ILE 123 1HG2 ILE 123 -4.171 3.203 10.031 968 2HG2 ILE 123 2HG2 ILE 123 -2.447 3.404 10.339 969 3HG2 ILE 123 3HG2 ILE 123 -3.520 2.880 11.637 970 1HD1 ILE 123 1HD1 ILE 123 -2.306 2.321 6.943 971 2HD1 ILE 123 2HD1 ILE 123 -1.823 3.037 8.482 972 3HD1 ILE 123 3HD1 ILE 123 -3.502 3.149 7.944 973 H ALA 124 HN ALA 124 -2.717 -0.302 12.996 974 HA ALA 124 HA ALA 124 -2.877 1.832 14.765 975 1HB ALA 124 HB1 ALA 124 -3.964 -0.234 15.288 976 2HB ALA 124 HB2 ALA 124 -2.787 0.093 16.561 977 3HB ALA 124 HB3 ALA 124 -2.427 -1.098 15.311 978 H LYS 125 HN LYS 125 -0.157 -0.133 13.816 979 HA LYS 125 HA LYS 125 1.589 0.664 15.921 980 1HB LYS 125 HB2 LYS 125 1.738 -0.954 13.518 981 2HB LYS 125 HB1 LYS 125 3.187 0.021 13.720 982 1HG LYS 125 HG2 LYS 125 3.658 -1.991 14.804 983 2HG LYS 125 HG1 LYS 125 3.259 -0.864 16.103 984 1HD LYS 125 HD2 LYS 125 0.891 -1.772 15.963 985 2HD LYS 125 HD1 LYS 125 1.551 -3.056 14.948 986 1HE LYS 125 HE2 LYS 125 2.704 -4.016 16.676 987 2HE LYS 125 HE1 LYS 125 2.879 -2.494 17.548 988 1HZ LYS 125 HZ1 LYS 125 0.374 -2.670 17.893 989 2HZ LYS 125 HZ2 LYS 125 1.359 -3.707 18.796 990 3HZ LYS 125 HZ3 LYS 125 0.538 -4.291 17.437 991 H LEU 126 HN LEU 126 1.321 1.697 12.520 992 HA LEU 126 HA LEU 126 3.194 3.846 12.877 993 1HB LEU 126 HB2 LEU 126 2.230 2.445 10.710 994 2HB LEU 126 HB1 LEU 126 1.460 4.009 10.532 995 HG LEU 126 HG LEU 126 3.678 5.096 10.623 996 1HD1 LEU 126 1HD1 LEU 126 5.591 3.355 10.136 997 2HD1 LEU 126 2HD1 LEU 126 4.543 2.285 11.066 998 3HD1 LEU 126 3HD1 LEU 126 5.139 3.779 11.786 999 1HD2 LEU 126 1HD2 LEU 126 3.299 2.957 8.535 1000 2HD2 LEU 126 2HD2 LEU 126 4.465 4.275 8.413 1001 3HD2 LEU 126 3HD2 LEU 126 2.738 4.628 8.469 1002 H LYS 127 HN LYS 127 -0.183 3.466 13.320 1003 HA LYS 127 HA LYS 127 -0.960 6.165 12.851 1004 1HB LYS 127 HB2 LYS 127 -2.478 4.196 12.852 1005 2HB LYS 127 HB1 LYS 127 -2.312 4.107 14.594 1006 1HG LYS 127 HG2 LYS 127 -3.190 6.454 14.699 1007 2HG LYS 127 HG1 LYS 127 -3.566 6.311 12.980 1008 1HD LYS 127 HD2 LYS 127 -5.567 5.630 13.822 1009 2HD LYS 127 HD1 LYS 127 -4.735 4.074 13.835 1010 1HE LYS 127 HE2 LYS 127 -5.862 4.435 15.950 1011 2HE LYS 127 HE1 LYS 127 -4.115 4.444 16.183 1012 1HZ LYS 127 HZ1 LYS 127 -5.442 6.241 17.342 1013 2HZ LYS 127 HZ2 LYS 127 -5.651 6.945 15.818 1014 3HZ LYS 127 HZ3 LYS 127 -4.095 6.751 16.454 1015 H ARG 128 HN ARG 128 -0.088 4.301 15.717 1016 HA ARG 128 HA ARG 128 -0.490 6.493 17.517 1017 1HB ARG 128 HB2 ARG 128 -0.740 4.250 18.360 1018 2HB ARG 128 HB1 ARG 128 0.881 3.822 17.836 1019 1HG ARG 128 HG2 ARG 128 1.859 5.259 19.488 1020 2HG ARG 128 HG1 ARG 128 0.273 5.893 19.933 1021 1HD ARG 128 HD2 ARG 128 -0.318 3.994 21.070 1022 2HD ARG 128 HD1 ARG 128 0.722 2.956 20.094 1023 HE ARG 128 HE ARG 128 2.359 3.255 21.646 1024 1HH1 ARG 128 1HH1 ARG 128 0.106 5.907 21.920 1025 2HH1 ARG 128 2HH1 ARG 128 0.895 6.598 23.299 1026 1HH2 ARG 128 1HH2 ARG 128 3.397 4.162 23.460 1027 2HH2 ARG 128 2HH2 ARG 128 2.762 5.607 24.173 1028 H LEU 129 HN LEU 129 1.784 5.914 15.184 1029 HA LEU 129 HA LEU 129 4.233 6.494 16.396 1030 1HB LEU 129 HB2 LEU 129 5.015 6.417 14.317 1031 2HB LEU 129 HB1 LEU 129 3.376 6.035 13.840 1032 HG LEU 129 HG LEU 129 4.552 8.801 13.905 1033 1HD1 LEU 129 1HD1 LEU 129 5.351 7.007 12.159 1034 2HD1 LEU 129 2HD1 LEU 129 5.012 8.665 11.666 1035 3HD1 LEU 129 3HD1 LEU 129 3.817 7.399 11.385 1036 1HD2 LEU 129 1HD2 LEU 129 2.284 8.629 12.231 1037 2HD2 LEU 129 2HD2 LEU 129 2.459 9.526 13.739 1038 3HD2 LEU 129 3HD2 LEU 129 1.856 7.870 13.764 1039 1HO1 MO2 130 1HO1 MO2 130 -4.598 -4.500 -10.578 1040 2HO1 MO2 130 2HO1 MO2 130 -5.102 -1.692 -8.264 1041 1HO2 MO2 130 1HO2 MO2 130 -3.352 -4.584 -11.430 1042 2HO2 MO2 130 2HO2 MO2 130 -5.191 -1.344 -9.733 1043 1H5* 8OG 131 1H5* ODG 131 -7.986 -4.585 -5.558 1044 2H5* 8OG 131 2H5* ODG 131 -7.091 -6.079 -5.532 1045 H4* 8OG 131 1H4* ODG 131 -7.615 -5.367 -3.283 1046 H3* 8OG 131 1H3* ODG 131 -8.380 -7.884 -4.329 1047 1H2* 8OG 131 1H2* ODG 131 -10.422 -8.228 -3.484 1048 2H2* 8OG 131 2H2* ODG 131 -9.843 -7.834 -1.880 1049 H1* 8OG 131 1H1* ODG 131 -10.830 -5.856 -1.937 1050 H1 8OG 131 H1 ODG 131 -16.706 -4.803 -1.910 1051 H7 8OG 131 H7 ODG 131 -14.186 -6.925 -5.655 1052 1H2 8OG 131 H21 ODG 131 -14.289 -4.026 0.496 1053 2H2 8OG 131 H22 ODG 131 -15.966 -3.985 0.065 1054 H3T 8OG 131 *HO1 ODG 131 -7.587 -8.598 -2.264 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -7.708 -24.464 -3.934 2 2H MET 1 HT2 MET 1 -7.889 -25.587 -2.650 3 3H MET 1 HT3 MET 1 -6.356 -24.886 -2.971 4 HA MET 1 HA MET 1 -8.753 -23.667 -1.817 5 1HB MET 1 HB2 MET 1 -6.248 -24.681 -0.892 6 2HB MET 1 HB1 MET 1 -6.270 -22.945 -0.615 7 1HG MET 1 HG2 MET 1 -7.866 -23.077 0.965 8 2HG MET 1 HG1 MET 1 -8.709 -24.399 0.160 9 1HE MET 1 HE1 MET 1 -7.993 -25.928 3.667 10 2HE MET 1 HE2 MET 1 -9.197 -25.258 2.565 11 3HE MET 1 HE3 MET 1 -8.129 -24.181 3.466 12 H LYS 2 HN LYS 2 -9.114 -21.525 -2.017 13 HA LYS 2 HA LYS 2 -7.557 -20.083 -3.995 14 1HB LYS 2 HB2 LYS 2 -10.215 -19.763 -2.717 15 2HB LYS 2 HB1 LYS 2 -9.409 -18.288 -3.233 16 1HG LYS 2 HG2 LYS 2 -9.403 -18.939 -5.480 17 2HG LYS 2 HG1 LYS 2 -9.746 -20.624 -5.081 18 1HD LYS 2 HD2 LYS 2 -11.943 -19.664 -4.075 19 2HD LYS 2 HD1 LYS 2 -11.587 -18.265 -5.090 20 1HE LYS 2 HE2 LYS 2 -12.739 -19.413 -6.646 21 2HE LYS 2 HE1 LYS 2 -11.215 -20.270 -6.862 22 1HZ LYS 2 HZ1 LYS 2 -13.384 -21.153 -5.039 23 2HZ LYS 2 HZ2 LYS 2 -11.973 -22.004 -5.418 24 3HZ LYS 2 HZ3 LYS 2 -13.152 -21.751 -6.605 25 H LYS 3 HN LYS 3 -6.229 -18.392 -3.619 26 HA LYS 3 HA LYS 3 -6.071 -17.302 -0.899 27 1HB LYS 3 HB2 LYS 3 -3.650 -18.123 -2.511 28 2HB LYS 3 HB1 LYS 3 -3.654 -17.452 -0.886 29 1HG LYS 3 HG2 LYS 3 -3.716 -19.505 -0.070 30 2HG LYS 3 HG1 LYS 3 -5.304 -19.728 -0.807 31 1HD LYS 3 HD2 LYS 3 -3.980 -21.499 -1.621 32 2HD LYS 3 HD1 LYS 3 -4.063 -20.331 -2.942 33 1HE LYS 3 HE2 LYS 3 -1.825 -19.826 -1.161 34 2HE LYS 3 HE1 LYS 3 -1.768 -21.443 -1.860 35 1HZ LYS 3 HZ1 LYS 3 -0.711 -19.467 -3.120 36 2HZ LYS 3 HZ2 LYS 3 -2.299 -19.122 -3.591 37 3HZ LYS 3 HZ3 LYS 3 -1.605 -20.614 -3.985 38 H LEU 4 HN LEU 4 -6.197 -15.168 -0.951 39 HA LEU 4 HA LEU 4 -5.365 -13.769 -3.405 40 1HB LEU 4 HB2 LEU 4 -7.026 -12.138 -3.011 41 2HB LEU 4 HB1 LEU 4 -7.801 -13.693 -2.772 42 HG LEU 4 HG LEU 4 -7.092 -13.165 -0.231 43 1HD1 LEU 4 1HD1 LEU 4 -7.854 -10.451 -1.243 44 2HD1 LEU 4 2HD1 LEU 4 -6.166 -10.935 -1.101 45 3HD1 LEU 4 3HD1 LEU 4 -7.198 -10.908 0.329 46 1HD2 LEU 4 1HD2 LEU 4 -9.456 -12.017 -0.155 47 2HD2 LEU 4 2HD2 LEU 4 -9.289 -13.730 -0.541 48 3HD2 LEU 4 3HD2 LEU 4 -9.524 -12.554 -1.834 49 H GLN 5 HN GLN 5 -3.697 -12.421 -3.263 50 HA GLN 5 HA GLN 5 -2.714 -11.707 -0.594 51 1HB GLN 5 HB2 GLN 5 -1.142 -11.287 -3.104 52 2HB GLN 5 HB1 GLN 5 -0.567 -11.576 -1.473 53 1HG GLN 5 HG2 GLN 5 -1.232 -13.890 -1.602 54 2HG GLN 5 HG1 GLN 5 -1.943 -13.623 -3.192 55 1HE2 GLN 5 1HE2 GLN 5 0.900 -14.291 -1.430 56 2HE2 GLN 5 2HE2 GLN 5 1.991 -14.364 -2.768 57 H ILE 6 HN ILE 6 -1.770 -9.569 -0.290 58 HA ILE 6 HA ILE 6 -2.735 -7.470 -2.061 59 HB ILE 6 HB ILE 6 -3.273 -7.404 0.908 60 1HG1 ILE 6 2HG1 ILE 6 -5.286 -7.817 -1.311 61 2HG1 ILE 6 1HG1 ILE 6 -4.648 -9.120 -0.313 62 1HG2 ILE 6 1HG2 ILE 6 -2.963 -5.329 -0.737 63 2HG2 ILE 6 2HG2 ILE 6 -4.086 -5.320 0.623 64 3HG2 ILE 6 3HG2 ILE 6 -4.676 -5.654 -1.006 65 1HD1 ILE 6 1HD1 ILE 6 -6.909 -8.126 0.313 66 2HD1 ILE 6 2HD1 ILE 6 -5.994 -6.742 0.906 67 3HD1 ILE 6 3HD1 ILE 6 -5.723 -8.341 1.597 68 H ALA 7 HN ALA 7 -1.321 -5.772 -2.188 69 HA ALA 7 HA ALA 7 0.846 -5.676 -0.190 70 1HB ALA 7 HB1 ALA 7 2.068 -6.411 -1.979 71 2HB ALA 7 HB2 ALA 7 2.136 -4.675 -2.274 72 3HB ALA 7 HB3 ALA 7 0.990 -5.675 -3.166 73 H VAL 8 HN VAL 8 1.633 -3.568 0.305 74 HA VAL 8 HA VAL 8 0.217 -1.332 -0.898 75 HB VAL 8 HB VAL 8 -1.235 -1.105 0.753 76 1HG1 VAL 8 1HG1 VAL 8 -0.797 -3.471 1.393 77 2HG1 VAL 8 2HG1 VAL 8 -1.327 -2.452 2.731 78 3HG1 VAL 8 3HG1 VAL 8 0.375 -2.886 2.574 79 1HG2 VAL 8 1HG2 VAL 8 0.378 0.619 1.423 80 2HG2 VAL 8 2HG2 VAL 8 1.155 -0.536 2.505 81 3HG2 VAL 8 3HG2 VAL 8 -0.504 -0.025 2.807 82 H GLY 9 HN GLY 9 1.209 0.676 -0.634 83 1HA GLY 9 HA2 GLY 9 3.737 0.775 0.804 84 2HA GLY 9 HA1 GLY 9 3.835 0.938 -0.938 85 H ILE 10 HN ILE 10 3.511 2.575 1.939 86 HA ILE 10 HA ILE 10 2.030 4.840 0.884 87 HB ILE 10 HB ILE 10 3.492 5.590 3.233 88 1HG1 ILE 10 2HG1 ILE 10 2.230 3.886 4.758 89 2HG1 ILE 10 1HG1 ILE 10 2.259 2.850 3.336 90 1HG2 ILE 10 1HG2 ILE 10 0.678 4.992 3.628 91 2HG2 ILE 10 2HG2 ILE 10 0.979 5.912 2.153 92 3HG2 ILE 10 3HG2 ILE 10 1.536 6.530 3.707 93 1HD1 ILE 10 1HD1 ILE 10 4.533 3.851 4.993 94 2HD1 ILE 10 2HD1 ILE 10 4.794 3.336 3.327 95 3HD1 ILE 10 3HD1 ILE 10 4.141 2.202 4.509 96 H ILE 11 HN ILE 11 3.000 6.055 -0.608 97 HA ILE 11 HA ILE 11 5.819 6.153 -0.927 98 HB ILE 11 HB ILE 11 4.103 8.246 -2.169 99 1HG1 ILE 11 2HG1 ILE 11 3.919 5.289 -2.647 100 2HG1 ILE 11 1HG1 ILE 11 2.630 6.487 -2.589 101 1HG2 ILE 11 1HG2 ILE 11 6.697 7.629 -2.432 102 2HG2 ILE 11 2HG2 ILE 11 5.734 8.325 -3.737 103 3HG2 ILE 11 3HG2 ILE 11 6.021 6.587 -3.684 104 1HD1 ILE 11 1HD1 ILE 11 4.641 6.164 -4.800 105 2HD1 ILE 11 2HD1 ILE 11 3.349 7.362 -4.747 106 3HD1 ILE 11 3HD1 ILE 11 2.956 5.646 -4.841 107 H ARG 12 HN ARG 12 7.225 7.282 0.156 108 HA ARG 12 HA ARG 12 6.400 9.440 1.885 109 1HB ARG 12 HB2 ARG 12 8.763 7.732 1.576 110 2HB ARG 12 HB1 ARG 12 9.134 9.389 2.025 111 1HG ARG 12 HG2 ARG 12 6.967 8.114 3.547 112 2HG ARG 12 HG1 ARG 12 8.579 7.450 3.784 113 1HD ARG 12 HD2 ARG 12 9.435 9.502 4.540 114 2HD ARG 12 HD1 ARG 12 8.047 10.399 3.923 115 HE ARG 12 HE ARG 12 6.972 9.974 5.887 116 1HH1 ARG 12 1HH1 ARG 12 9.552 7.652 5.526 117 2HH1 ARG 12 2HH1 ARG 12 9.316 6.959 7.096 118 1HH2 ARG 12 1HH2 ARG 12 6.661 9.065 7.952 119 2HH2 ARG 12 2HH2 ARG 12 7.675 7.761 8.473 120 H ASN 13 HN ASN 13 6.412 11.483 1.420 121 HA ASN 13 HA ASN 13 7.453 12.473 -1.075 122 1HB ASN 13 HB2 ASN 13 6.645 14.519 0.822 123 2HB ASN 13 HB1 ASN 13 6.071 14.217 -0.805 124 1HD2 ASN 13 1HD2 ASN 13 4.638 14.943 1.651 125 2HD2 ASN 13 2HD2 ASN 13 3.434 13.722 1.867 126 H GLU 14 HN GLU 14 8.413 14.916 -0.618 127 HA GLU 14 HA GLU 14 11.046 14.346 0.427 128 1HB GLU 14 HB2 GLU 14 10.767 15.493 -1.715 129 2HB GLU 14 HB1 GLU 14 9.916 16.806 -0.911 130 1HG GLU 14 HG2 GLU 14 11.812 17.790 -0.268 131 2HG GLU 14 HG1 GLU 14 12.548 16.265 0.223 132 H ASN 15 HN ASN 15 8.524 14.942 2.199 133 HA ASN 15 HA ASN 15 10.002 16.687 4.024 134 1HB ASN 15 HB2 ASN 15 8.469 18.147 2.771 135 2HB ASN 15 HB1 ASN 15 7.111 17.143 3.269 136 1HD2 ASN 15 1HD2 ASN 15 9.616 19.321 4.392 137 2HD2 ASN 15 2HD2 ASN 15 8.821 19.785 5.854 138 H ASN 16 HN ASN 16 9.909 14.030 4.431 139 HA ASN 16 HA ASN 16 9.222 12.341 5.818 140 1HB ASN 16 HB2 ASN 16 9.646 14.720 7.317 141 2HB ASN 16 HB1 ASN 16 8.310 13.843 8.051 142 1HD2 ASN 16 1HD2 ASN 16 11.540 14.237 8.126 143 2HD2 ASN 16 2HD2 ASN 16 12.016 12.708 8.775 144 H GLU 17 HN GLU 17 7.169 13.575 4.089 145 HA GLU 17 HA GLU 17 4.766 12.751 5.580 146 1HB GLU 17 HB2 GLU 17 5.134 14.898 3.500 147 2HB GLU 17 HB1 GLU 17 3.556 14.244 3.881 148 1HG GLU 17 HG2 GLU 17 4.195 14.880 6.321 149 2HG GLU 17 HG1 GLU 17 5.353 15.945 5.532 150 H ILE 18 HN ILE 18 3.084 11.758 4.129 151 HA ILE 18 HA ILE 18 4.381 10.428 1.842 152 HB ILE 18 HB ILE 18 2.607 9.263 3.950 153 1HG1 ILE 18 2HG1 ILE 18 5.007 7.937 2.794 154 2HG1 ILE 18 1HG1 ILE 18 5.253 9.334 3.837 155 1HG2 ILE 18 1HG2 ILE 18 2.625 8.568 1.130 156 2HG2 ILE 18 2HG2 ILE 18 1.530 8.056 2.410 157 3HG2 ILE 18 3HG2 ILE 18 3.056 7.210 2.163 158 1HD1 ILE 18 1HD1 ILE 18 4.239 8.256 5.672 159 2HD1 ILE 18 2HD1 ILE 18 5.353 7.092 4.954 160 3HD1 ILE 18 3HD1 ILE 18 3.620 6.956 4.655 161 H PHE 19 HN PHE 19 3.283 10.245 -0.021 162 HA PHE 19 HA PHE 19 0.922 11.892 -0.320 163 1HB PHE 19 HB2 PHE 19 2.251 12.352 -2.111 164 2HB PHE 19 HB1 PHE 19 3.011 10.767 -2.088 165 HD1 PHE 19 HD1 PHE 19 2.370 9.113 -3.603 166 HD2 PHE 19 HD2 PHE 19 -0.063 12.567 -3.109 167 HE1 PHE 19 HE1 PHE 19 1.033 8.443 -5.557 168 HE2 PHE 19 HE2 PHE 19 -1.403 11.903 -5.060 169 HZ PHE 19 HZ PHE 19 -0.859 9.840 -6.286 170 H ILE 20 HN ILE 20 -0.780 10.777 0.574 171 HA ILE 20 HA ILE 20 -1.447 8.184 -0.648 172 HB ILE 20 HB ILE 20 -3.105 8.496 1.562 173 1HG1 ILE 20 2HG1 ILE 20 -1.248 8.704 3.380 174 2HG1 ILE 20 1HG1 ILE 20 -0.373 9.595 2.140 175 1HG2 ILE 20 1HG2 ILE 20 -1.277 6.800 2.517 176 2HG2 ILE 20 2HG2 ILE 20 -0.793 6.824 0.822 177 3HG2 ILE 20 3HG2 ILE 20 -2.437 6.362 1.263 178 1HD1 ILE 20 1HD1 ILE 20 -1.980 11.295 2.082 179 2HD1 ILE 20 2HD1 ILE 20 -1.755 10.933 3.793 180 3HD1 ILE 20 3HD1 ILE 20 -3.170 10.315 2.938 181 H THR 21 HN THR 21 -3.631 7.880 -1.341 182 HA THR 21 HA THR 21 -4.881 10.244 -2.332 183 HB THR 21 HB THR 21 -5.117 8.294 -3.666 184 HG1 THR 21 HG1 THR 21 -7.615 8.607 -2.368 185 1HG2 THR 21 1HG2 THR 21 -4.791 6.501 -2.158 186 2HG2 THR 21 2HG2 THR 21 -6.398 6.303 -2.860 187 3HG2 THR 21 3HG2 THR 21 -6.221 6.940 -1.225 188 H ARG 22 HN ARG 22 -5.956 11.614 -1.079 189 HA ARG 22 HA ARG 22 -7.643 10.512 1.073 190 1HB ARG 22 HB2 ARG 22 -5.698 11.832 1.872 191 2HB ARG 22 HB1 ARG 22 -6.313 13.224 0.990 192 1HG ARG 22 HG2 ARG 22 -7.864 13.688 2.543 193 2HG ARG 22 HG1 ARG 22 -8.232 11.987 2.833 194 1HD ARG 22 HD2 ARG 22 -6.993 12.005 4.675 195 2HD ARG 22 HD1 ARG 22 -5.584 12.524 3.751 196 HE ARG 22 HE ARG 22 -7.092 14.791 4.144 197 1HH1 ARG 22 1HH1 ARG 22 -5.536 12.417 6.175 198 2HH1 ARG 22 2HH1 ARG 22 -5.249 13.530 7.470 199 1HH2 ARG 22 1HH2 ARG 22 -6.714 16.257 5.847 200 2HH2 ARG 22 2HH2 ARG 22 -5.918 15.709 7.285 201 H ARG 23 HN ARG 23 -9.699 10.571 0.484 202 HA ARG 23 HA ARG 23 -11.672 11.225 -0.451 203 1HB ARG 23 HB2 ARG 23 -10.850 14.049 0.163 204 2HB ARG 23 HB1 ARG 23 -12.451 13.328 0.245 205 1HG ARG 23 HG2 ARG 23 -11.944 12.179 2.239 206 2HG ARG 23 HG1 ARG 23 -10.216 12.497 2.070 207 1HD ARG 23 HD2 ARG 23 -11.174 15.018 2.082 208 2HD ARG 23 HD1 ARG 23 -12.375 14.222 3.098 209 HE ARG 23 HE ARG 23 -9.664 13.614 3.829 210 1HH1 ARG 23 1HH1 ARG 23 -12.294 15.872 4.232 211 2HH1 ARG 23 2HH1 ARG 23 -11.727 16.450 5.762 212 1HH2 ARG 23 1HH2 ARG 23 -8.917 14.374 5.842 213 2HH2 ARG 23 2HH2 ARG 23 -9.810 15.601 6.677 214 H ALA 24 HN ALA 24 -9.282 11.208 -2.236 215 HA ALA 24 HA ALA 24 -8.656 11.850 -4.337 216 1HB ALA 24 HB1 ALA 24 -10.949 10.765 -4.617 217 2HB ALA 24 HB2 ALA 24 -10.362 11.768 -5.944 218 3HB ALA 24 HB3 ALA 24 -11.566 12.404 -4.824 219 H ALA 25 HN ALA 25 -9.672 13.683 -6.149 220 HA ALA 25 HA ALA 25 -8.729 16.152 -4.986 221 1HB ALA 25 HB1 ALA 25 -8.381 16.881 -7.118 222 2HB ALA 25 HB2 ALA 25 -9.813 16.067 -7.750 223 3HB ALA 25 HB3 ALA 25 -8.352 15.140 -7.402 224 H ASP 26 HN ASP 26 -11.771 14.746 -5.951 225 HA ASP 26 HA ASP 26 -13.146 17.288 -5.420 226 1HB ASP 26 HB2 ASP 26 -15.107 16.199 -6.507 227 2HB ASP 26 HB1 ASP 26 -13.710 16.333 -7.570 228 H ALA 27 HN ALA 27 -15.572 16.619 -4.622 229 HA ALA 27 HA ALA 27 -15.103 15.451 -1.996 230 1HB ALA 27 HB1 ALA 27 -16.490 17.642 -2.727 231 2HB ALA 27 HB2 ALA 27 -16.793 16.740 -1.243 232 3HB ALA 27 HB3 ALA 27 -17.791 16.453 -2.667 233 H HIS 28 HN HIS 28 -14.872 13.409 -3.595 234 HA HIS 28 HA HIS 28 -17.461 12.009 -3.448 235 1HB HIS 28 HB2 HIS 28 -16.082 12.568 -5.772 236 2HB HIS 28 HB1 HIS 28 -15.573 10.922 -5.406 237 HD1 HIS 28 HD1 HIS 28 -16.988 9.286 -6.580 238 HD2 HIS 28 HD2 HIS 28 -19.154 12.645 -5.444 239 HE1 HIS 28 HE1 HIS 28 -19.340 8.868 -7.366 240 HE2 HIS 28 HE2 HIS 28 -20.650 10.875 -6.592 241 H MET 29 HN MET 29 -17.393 10.521 -1.908 242 HA MET 29 HA MET 29 -16.680 8.860 -0.527 243 1HB MET 29 HB2 MET 29 -14.756 8.385 -2.808 244 2HB MET 29 HB1 MET 29 -14.951 7.297 -1.440 245 1HG MET 29 HG2 MET 29 -17.039 8.017 -3.483 246 2HG MET 29 HG1 MET 29 -16.196 6.477 -3.325 247 1HE MET 29 HE1 MET 29 -19.172 8.339 -2.846 248 2HE MET 29 HE2 MET 29 -20.167 7.357 -1.773 249 3HE MET 29 HE3 MET 29 -19.592 6.688 -3.300 250 H ALA 30 HN ALA 30 -15.989 10.527 0.956 251 HA ALA 30 HA ALA 30 -13.209 11.298 0.991 252 1HB ALA 30 HB1 ALA 30 -14.397 13.033 1.834 253 2HB ALA 30 HB2 ALA 30 -14.081 12.186 3.348 254 3HB ALA 30 HB3 ALA 30 -15.635 11.991 2.537 255 H ASN 31 HN ASN 31 -14.939 8.609 2.077 256 HA ASN 31 HA ASN 31 -13.114 8.084 4.301 257 1HB ASN 31 HB2 ASN 31 -15.796 7.607 4.027 258 2HB ASN 31 HB1 ASN 31 -15.114 6.032 3.633 259 1HD2 ASN 31 1HD2 ASN 31 -14.403 4.763 5.230 260 2HD2 ASN 31 2HD2 ASN 31 -14.336 5.215 6.895 261 H LYS 32 HN LYS 32 -12.215 8.041 1.507 262 HA LYS 32 HA LYS 32 -11.462 5.210 1.294 263 1HB LYS 32 HB2 LYS 32 -12.429 7.079 -0.683 264 2HB LYS 32 HB1 LYS 32 -10.849 6.458 -1.143 265 1HG LYS 32 HG2 LYS 32 -11.665 4.180 -0.959 266 2HG LYS 32 HG1 LYS 32 -13.242 4.773 -0.435 267 1HD LYS 32 HD2 LYS 32 -13.775 4.636 -2.613 268 2HD LYS 32 HD1 LYS 32 -12.889 6.157 -2.751 269 1HE LYS 32 HE2 LYS 32 -11.165 5.201 -3.842 270 2HE LYS 32 HE1 LYS 32 -11.234 3.730 -2.872 271 1HZ LYS 32 HZ1 LYS 32 -13.467 3.476 -4.275 272 2HZ LYS 32 HZ2 LYS 32 -11.977 2.873 -4.802 273 3HZ LYS 32 HZ3 LYS 32 -12.545 4.354 -5.390 274 H LEU 33 HN LEU 33 -10.230 7.315 2.890 275 HA LEU 33 HA LEU 33 -7.816 8.202 1.737 276 1HB LEU 33 HB2 LEU 33 -8.720 9.233 3.728 277 2HB LEU 33 HB1 LEU 33 -8.574 7.730 4.617 278 HG LEU 33 HG LEU 33 -6.185 7.874 4.621 279 1HD1 LEU 33 1HD1 LEU 33 -5.096 9.939 3.621 280 2HD1 LEU 33 2HD1 LEU 33 -6.596 10.158 2.720 281 3HD1 LEU 33 3HD1 LEU 33 -5.636 8.697 2.491 282 1HD2 LEU 33 1HD2 LEU 33 -6.020 10.376 5.529 283 2HD2 LEU 33 2HD2 LEU 33 -6.791 9.080 6.441 284 3HD2 LEU 33 3HD2 LEU 33 -7.775 10.204 5.506 285 H GLU 34 HN GLU 34 -7.360 6.064 0.639 286 HA GLU 34 HA GLU 34 -5.787 4.338 2.434 287 1HB GLU 34 HB2 GLU 34 -7.932 3.514 1.025 288 2HB GLU 34 HB1 GLU 34 -6.673 3.247 -0.174 289 1HG GLU 34 HG2 GLU 34 -5.656 2.203 2.205 290 2HG GLU 34 HG1 GLU 34 -7.347 1.704 2.156 291 H PHE 35 HN PHE 35 -4.187 2.967 0.987 292 HA PHE 35 HA PHE 35 -2.728 4.885 -0.710 293 1HB PHE 35 HB2 PHE 35 -0.787 3.165 0.176 294 2HB PHE 35 HB1 PHE 35 -1.141 4.735 0.883 295 HD1 PHE 35 HD1 PHE 35 -1.363 4.801 3.160 296 HD2 PHE 35 HD2 PHE 35 -2.429 1.236 1.094 297 HE1 PHE 35 HE1 PHE 35 -1.887 3.718 5.306 298 HE2 PHE 35 HE2 PHE 35 -2.955 0.147 3.236 299 HZ PHE 35 HZ PHE 35 -2.686 1.387 5.345 300 HA PRO 36 HA PRO 36 -2.318 2.196 -4.189 301 1HB PRO 36 HB2 PRO 36 0.478 1.883 -4.233 302 2HB PRO 36 HB1 PRO 36 -0.449 3.130 -5.070 303 1HG PRO 36 HG2 PRO 36 1.001 3.266 -2.477 304 2HG PRO 36 HG1 PRO 36 0.790 4.516 -3.716 305 1HD PRO 36 HD2 PRO 36 -0.596 4.591 -1.436 306 2HD PRO 36 HD1 PRO 36 -1.348 5.060 -2.976 307 H GLY 37 HN GLY 37 -1.411 0.007 -4.850 308 1HA GLY 37 HA2 GLY 37 -0.433 -2.084 -4.145 309 2HA GLY 37 HA1 GLY 37 -0.779 -1.627 -2.504 310 H GLY 38 HN GLY 38 -2.552 -2.016 -5.464 311 1HA GLY 38 HA2 GLY 38 -4.349 -3.953 -4.217 312 2HA GLY 38 HA1 GLY 38 -5.062 -2.502 -4.916 313 H LYS 39 HN LYS 39 -4.009 -5.669 -5.521 314 HA LYS 39 HA LYS 39 -4.914 -6.650 -7.584 315 1HB LYS 39 HB2 LYS 39 -5.120 -4.558 -8.832 316 2HB LYS 39 HB1 LYS 39 -3.369 -4.395 -8.879 317 1HG LYS 39 HG2 LYS 39 -3.202 -5.713 -10.659 318 2HG LYS 39 HG1 LYS 39 -4.245 -6.942 -9.941 319 1HD LYS 39 HD2 LYS 39 -5.364 -4.407 -11.100 320 2HD LYS 39 HD1 LYS 39 -5.033 -5.819 -12.107 321 1HE LYS 39 HE2 LYS 39 -7.275 -6.072 -11.527 322 2HE LYS 39 HE1 LYS 39 -6.430 -7.118 -10.386 323 1HZ LYS 39 HZ1 LYS 39 -7.038 -4.332 -9.652 324 2HZ LYS 39 HZ2 LYS 39 -6.809 -5.674 -8.649 325 3HZ LYS 39 HZ3 LYS 39 -8.242 -5.515 -9.534 326 H ILE 40 HN ILE 40 -2.023 -5.825 -6.131 327 HA ILE 40 HA ILE 40 0.016 -6.928 -7.543 328 HB ILE 40 HB ILE 40 0.783 -6.112 -5.560 329 1HG1 ILE 40 2HG1 ILE 40 0.545 -8.913 -4.521 330 2HG1 ILE 40 1HG1 ILE 40 1.463 -8.616 -5.993 331 1HG2 ILE 40 1HG2 ILE 40 -0.794 -5.664 -4.063 332 2HG2 ILE 40 2HG2 ILE 40 -0.461 -7.261 -3.394 333 3HG2 ILE 40 3HG2 ILE 40 -1.775 -7.045 -4.549 334 1HD1 ILE 40 1HD1 ILE 40 2.086 -7.974 -3.204 335 2HD1 ILE 40 2HD1 ILE 40 2.520 -6.749 -4.394 336 3HD1 ILE 40 3HD1 ILE 40 3.149 -8.387 -4.545 337 H GLU 41 HN GLU 41 -1.372 -8.850 -5.003 338 HA GLU 41 HA GLU 41 -0.927 -11.225 -4.943 339 1HB GLU 41 HB2 GLU 41 -3.287 -12.023 -5.731 340 2HB GLU 41 HB1 GLU 41 -3.117 -10.980 -4.334 341 1HG GLU 41 HG2 GLU 41 -4.422 -9.461 -5.256 342 2HG GLU 41 HG1 GLU 41 -3.371 -9.337 -6.655 343 H MET 42 HN MET 42 -2.861 -10.959 -7.891 344 HA MET 42 HA MET 42 -2.752 -12.273 -9.783 345 1HB MET 42 HB2 MET 42 -1.256 -10.128 -9.967 346 2HB MET 42 HB1 MET 42 0.066 -11.285 -10.020 347 1HG MET 42 HG2 MET 42 -1.127 -12.404 -11.923 348 2HG MET 42 HG1 MET 42 -2.238 -11.035 -11.929 349 1HE MET 42 HE1 MET 42 -1.550 -8.766 -11.863 350 2HE MET 42 HE2 MET 42 -0.775 -8.237 -13.357 351 3HE MET 42 HE3 MET 42 0.129 -8.227 -11.843 352 H GLY 43 HN GLY 43 0.249 -13.023 -10.614 353 1HA GLY 43 HA2 GLY 43 0.349 -15.488 -8.995 354 2HA GLY 43 HA1 GLY 43 0.479 -15.531 -10.743 355 H GLU 44 HN GLU 44 1.969 -12.829 -9.332 356 HA GLU 44 HA GLU 44 4.548 -13.664 -10.204 357 1HB GLU 44 HB2 GLU 44 3.303 -11.239 -9.276 358 2HB GLU 44 HB1 GLU 44 4.850 -11.461 -8.472 359 1HG GLU 44 HG2 GLU 44 5.496 -10.298 -10.322 360 2HG GLU 44 HG1 GLU 44 5.698 -11.953 -10.894 361 H THR 45 HN THR 45 6.266 -12.717 -8.196 362 HA THR 45 HA THR 45 5.983 -14.876 -6.226 363 HB THR 45 HB THR 45 8.540 -13.507 -6.183 364 HG1 THR 45 HG1 THR 45 7.747 -14.625 -8.664 365 1HG2 THR 45 1HG2 THR 45 8.847 -15.589 -5.415 366 2HG2 THR 45 2HG2 THR 45 9.113 -15.954 -7.120 367 3HG2 THR 45 3HG2 THR 45 7.539 -16.261 -6.387 368 HA PRO 46 HA PRO 46 5.198 -12.345 -2.710 369 1HB PRO 46 HB2 PRO 46 7.534 -12.979 -1.221 370 2HB PRO 46 HB1 PRO 46 5.941 -13.718 -1.076 371 1HG PRO 46 HG2 PRO 46 8.330 -14.655 -2.569 372 2HG PRO 46 HG1 PRO 46 7.052 -15.596 -1.779 373 1HD PRO 46 HD2 PRO 46 7.149 -15.377 -4.434 374 2HD PRO 46 HD1 PRO 46 5.594 -15.353 -3.579 375 H GLU 47 HN GLU 47 8.311 -12.205 -4.300 376 HA GLU 47 HA GLU 47 8.832 -9.559 -3.166 377 1HB GLU 47 HB2 GLU 47 10.510 -11.673 -4.406 378 2HB GLU 47 HB1 GLU 47 11.019 -10.006 -4.638 379 1HG GLU 47 HG2 GLU 47 11.925 -9.991 -2.627 380 2HG GLU 47 HG1 GLU 47 10.356 -10.341 -1.903 381 H GLN 48 HN GLN 48 8.647 -11.166 -6.366 382 HA GLN 48 HA GLN 48 8.833 -8.638 -7.738 383 1HB GLN 48 HB2 GLN 48 8.605 -11.496 -8.533 384 2HB GLN 48 HB1 GLN 48 8.089 -10.284 -9.699 385 1HG GLN 48 HG2 GLN 48 10.227 -9.343 -9.837 386 2HG GLN 48 HG1 GLN 48 10.768 -10.144 -8.364 387 1HE2 GLN 48 1HE2 GLN 48 12.473 -11.243 -9.167 388 2HE2 GLN 48 2HE2 GLN 48 12.355 -12.480 -10.368 389 H ALA 49 HN ALA 49 6.334 -10.181 -6.161 390 HA ALA 49 HA ALA 49 4.176 -9.740 -7.922 391 1HB ALA 49 HB1 ALA 49 2.775 -9.967 -5.885 392 2HB ALA 49 HB2 ALA 49 4.251 -9.990 -4.923 393 3HB ALA 49 HB3 ALA 49 3.942 -11.270 -6.092 394 H VAL 50 HN VAL 50 5.246 -7.832 -5.093 395 HA VAL 50 HA VAL 50 3.487 -5.667 -5.808 396 HB VAL 50 HB VAL 50 3.719 -5.631 -3.528 397 1HG1 VAL 50 1HG1 VAL 50 6.401 -6.727 -4.045 398 2HG1 VAL 50 2HG1 VAL 50 5.213 -7.147 -2.810 399 3HG1 VAL 50 3HG1 VAL 50 6.239 -5.728 -2.602 400 1HG2 VAL 50 1HG2 VAL 50 6.029 -3.846 -4.263 401 2HG2 VAL 50 2HG2 VAL 50 4.940 -3.686 -2.882 402 3HG2 VAL 50 3HG2 VAL 50 4.337 -3.422 -4.520 403 H VAL 51 HN VAL 51 6.967 -6.290 -6.017 404 HA VAL 51 HA VAL 51 7.871 -3.796 -6.767 405 HB VAL 51 HB VAL 51 8.819 -6.428 -7.918 406 1HG1 VAL 51 1HG1 VAL 51 10.959 -4.656 -7.648 407 2HG1 VAL 51 2HG1 VAL 51 9.653 -3.700 -8.350 408 3HG1 VAL 51 3HG1 VAL 51 10.190 -5.178 -9.147 409 1HG2 VAL 51 1HG2 VAL 51 8.745 -5.905 -5.307 410 2HG2 VAL 51 2HG2 VAL 51 10.247 -5.070 -5.704 411 3HG2 VAL 51 3HG2 VAL 51 10.075 -6.789 -6.056 412 H ARG 52 HN ARG 52 6.164 -6.188 -8.678 413 HA ARG 52 HA ARG 52 6.481 -4.740 -11.135 414 1HB ARG 52 HB2 ARG 52 6.211 -7.177 -11.157 415 2HB ARG 52 HB1 ARG 52 4.622 -7.015 -10.424 416 1HG ARG 52 HG2 ARG 52 3.683 -6.784 -12.412 417 2HG ARG 52 HG1 ARG 52 4.729 -5.414 -12.785 418 1HD ARG 52 HD2 ARG 52 5.630 -8.270 -13.062 419 2HD ARG 52 HD1 ARG 52 4.836 -7.394 -14.369 420 HE ARG 52 HE ARG 52 7.546 -7.153 -13.569 421 1HH1 ARG 52 1HH1 ARG 52 4.854 -5.290 -14.777 422 2HH1 ARG 52 2HH1 ARG 52 5.856 -4.100 -15.536 423 1HH2 ARG 52 1HH2 ARG 52 8.866 -5.589 -14.566 424 2HH2 ARG 52 2HH2 ARG 52 8.135 -4.270 -15.418 425 H GLU 53 HN GLU 53 3.927 -5.183 -8.737 426 HA GLU 53 HA GLU 53 1.976 -3.632 -10.088 427 1HB GLU 53 HB2 GLU 53 2.176 -5.087 -7.629 428 2HB GLU 53 HB1 GLU 53 1.536 -3.486 -7.283 429 1HG GLU 53 HG2 GLU 53 0.413 -5.526 -9.185 430 2HG GLU 53 HG1 GLU 53 -0.287 -4.975 -7.663 431 H LEU 54 HN LEU 54 4.691 -2.871 -8.083 432 HA LEU 54 HA LEU 54 4.050 -0.382 -7.069 433 1HB LEU 54 HB2 LEU 54 6.320 -1.953 -7.234 434 2HB LEU 54 HB1 LEU 54 6.767 -0.517 -8.134 435 HG LEU 54 HG LEU 54 5.958 0.803 -6.090 436 1HD1 LEU 54 1HD1 LEU 54 4.867 -0.507 -4.622 437 2HD1 LEU 54 2HD1 LEU 54 6.493 -0.860 -4.038 438 3HD1 LEU 54 3HD1 LEU 54 5.695 -1.971 -5.152 439 1HD2 LEU 54 1HD2 LEU 54 8.394 -0.070 -6.859 440 2HD2 LEU 54 2HD2 LEU 54 8.295 -0.766 -5.241 441 3HD2 LEU 54 3HD2 LEU 54 8.113 0.974 -5.466 442 H GLN 55 HN GLN 55 5.323 -1.227 -10.260 443 HA GLN 55 HA GLN 55 5.558 1.410 -11.235 444 1HB GLN 55 HB2 GLN 55 6.640 -0.519 -12.314 445 2HB GLN 55 HB1 GLN 55 5.063 -1.158 -12.759 446 1HG GLN 55 HG2 GLN 55 4.983 1.366 -13.807 447 2HG GLN 55 HG1 GLN 55 6.675 0.917 -14.022 448 1HE2 GLN 55 1HE2 GLN 55 3.376 -0.209 -14.583 449 2HE2 GLN 55 2HE2 GLN 55 3.733 -1.101 -16.018 450 H GLU 56 HN GLU 56 2.902 -0.850 -11.036 451 HA GLU 56 HA GLU 56 1.126 0.663 -12.708 452 1HB GLU 56 HB2 GLU 56 1.144 -1.906 -11.906 453 2HB GLU 56 HB1 GLU 56 0.020 -1.246 -10.732 454 1HG GLU 56 HG2 GLU 56 -0.491 -0.435 -13.501 455 2HG GLU 56 HG1 GLU 56 -0.663 -2.162 -13.188 456 H GLU 57 HN GLU 57 1.982 0.648 -9.343 457 HA GLU 57 HA GLU 57 -0.279 2.427 -8.754 458 1HB GLU 57 HB2 GLU 57 1.499 1.090 -6.723 459 2HB GLU 57 HB1 GLU 57 -0.077 1.827 -6.464 460 1HG GLU 57 HG2 GLU 57 0.236 -0.531 -8.277 461 2HG GLU 57 HG1 GLU 57 0.104 -0.735 -6.532 462 H VAL 58 HN VAL 58 2.763 2.781 -9.755 463 HA VAL 58 HA VAL 58 3.103 5.275 -8.245 464 HB VAL 58 HB VAL 58 5.433 3.480 -8.933 465 1HG1 VAL 58 1HG1 VAL 58 6.156 5.173 -6.883 466 2HG1 VAL 58 2HG1 VAL 58 5.149 6.188 -7.916 467 3HG1 VAL 58 3HG1 VAL 58 6.560 5.373 -8.588 468 1HG2 VAL 58 1HG2 VAL 58 3.759 2.621 -7.151 469 2HG2 VAL 58 2HG2 VAL 58 4.437 3.898 -6.142 470 3HG2 VAL 58 3HG2 VAL 58 5.482 2.627 -6.777 471 H GLY 59 HN GLY 59 4.077 3.323 -11.016 472 1HA GLY 59 HA2 GLY 59 4.553 3.851 -13.181 473 2HA GLY 59 HA1 GLY 59 3.484 5.214 -12.940 474 H ILE 60 HN ILE 60 6.041 5.508 -10.774 475 HA ILE 60 HA ILE 60 7.549 7.126 -12.704 476 HB ILE 60 HB ILE 60 8.119 8.211 -10.231 477 1HG1 ILE 60 2HG1 ILE 60 5.172 8.386 -10.278 478 2HG1 ILE 60 1HG1 ILE 60 5.857 6.892 -9.660 479 1HG2 ILE 60 1HG2 ILE 60 7.921 9.447 -12.294 480 2HG2 ILE 60 2HG2 ILE 60 6.895 10.176 -11.058 481 3HG2 ILE 60 3HG2 ILE 60 6.178 9.172 -12.318 482 1HD1 ILE 60 1HD1 ILE 60 5.480 8.372 -7.830 483 2HD1 ILE 60 2HD1 ILE 60 6.372 9.664 -8.635 484 3HD1 ILE 60 3HD1 ILE 60 7.220 8.220 -8.081 485 H THR 61 HN THR 61 9.706 7.812 -11.302 486 HA THR 61 HA THR 61 10.947 5.257 -10.585 487 HB THR 61 HB THR 61 13.021 6.664 -11.222 488 HG1 THR 61 HG1 THR 61 11.085 8.090 -12.687 489 1HG2 THR 61 1HG2 THR 61 12.846 6.127 -13.572 490 2HG2 THR 61 2HG2 THR 61 11.097 5.934 -13.413 491 3HG2 THR 61 3HG2 THR 61 12.190 4.803 -12.609 492 HA PRO 62 HA PRO 62 11.475 7.803 -6.826 493 1HB PRO 62 HB2 PRO 62 9.659 6.700 -5.298 494 2HB PRO 62 HB1 PRO 62 9.128 7.555 -6.751 495 1HG PRO 62 HG2 PRO 62 9.258 4.632 -6.230 496 2HG PRO 62 HG1 PRO 62 8.148 5.539 -7.271 497 1HD PRO 62 HD2 PRO 62 10.632 4.221 -7.995 498 2HD PRO 62 HD1 PRO 62 9.458 5.035 -9.046 499 H GLN 63 HN GLN 63 12.688 7.434 -4.955 500 HA GLN 63 HA GLN 63 13.940 4.843 -4.672 501 1HB GLN 63 HB2 GLN 63 14.042 7.351 -2.961 502 2HB GLN 63 HB1 GLN 63 14.956 5.890 -2.609 503 1HG GLN 63 HG2 GLN 63 16.239 6.122 -4.603 504 2HG GLN 63 HG1 GLN 63 15.214 7.438 -5.173 505 1HE2 GLN 63 1HE2 GLN 63 17.808 6.522 -3.092 506 2HE2 GLN 63 2HE2 GLN 63 18.254 8.114 -2.592 507 H HIS 64 HN HIS 64 11.969 3.714 -4.510 508 HA HIS 64 HA HIS 64 10.622 3.926 -1.902 509 1HB HIS 64 HB2 HIS 64 9.053 4.649 -3.486 510 2HB HIS 64 HB1 HIS 64 9.634 3.537 -4.686 511 HD1 HIS 64 HD1 HIS 64 6.966 3.145 -4.930 512 HD2 HIS 64 HD2 HIS 64 8.762 1.619 -1.512 513 HE1 HIS 64 HE1 HIS 64 5.357 1.441 -4.026 514 HE2 HIS 64 HE2 HIS 64 6.507 0.468 -2.008 515 H PHE 65 HN PHE 65 10.571 2.156 -0.679 516 HA PHE 65 HA PHE 65 10.393 -0.479 -1.608 517 1HB PHE 65 HB2 PHE 65 12.841 0.455 -2.143 518 2HB PHE 65 HB1 PHE 65 13.101 -0.054 -0.485 519 HD1 PHE 65 HD1 PHE 65 14.411 -1.981 -0.627 520 HD2 PHE 65 HD2 PHE 65 11.008 -1.572 -3.149 521 HE1 PHE 65 HE1 PHE 65 14.722 -4.292 -1.416 522 HE2 PHE 65 HE2 PHE 65 11.311 -3.881 -3.942 523 HZ PHE 65 HZ PHE 65 13.170 -5.243 -3.078 524 H SER 66 HN SER 66 12.363 -1.280 0.631 525 HA SER 66 HA SER 66 12.211 -1.951 2.785 526 1HB SER 66 HB2 SER 66 12.421 0.733 2.792 527 2HB SER 66 HB1 SER 66 10.880 0.558 3.633 528 HG SER 66 HG SER 66 11.880 -0.267 5.302 529 H LEU 67 HN LEU 67 10.663 -2.003 4.780 530 HA LEU 67 HA LEU 67 7.874 -2.172 3.971 531 1HB LEU 67 HB2 LEU 67 7.565 -4.405 4.403 532 2HB LEU 67 HB1 LEU 67 9.159 -4.413 3.677 533 HG LEU 67 HG LEU 67 9.967 -4.277 6.177 534 1HD1 LEU 67 1HD1 LEU 67 8.515 -4.770 7.807 535 2HD1 LEU 67 2HD1 LEU 67 7.676 -5.975 6.829 536 3HD1 LEU 67 3HD1 LEU 67 7.284 -4.265 6.648 537 1HD2 LEU 67 1HD2 LEU 67 10.103 -6.699 6.222 538 2HD2 LEU 67 2HD2 LEU 67 10.421 -6.101 4.594 539 3HD2 LEU 67 3HD2 LEU 67 8.854 -6.812 4.981 540 H PHE 68 HN PHE 68 6.626 -1.280 5.457 541 HA PHE 68 HA PHE 68 7.711 -0.514 7.998 542 1HB PHE 68 HB2 PHE 68 6.193 1.108 7.709 543 2HB PHE 68 HB1 PHE 68 5.495 0.251 6.342 544 HD1 PHE 68 HD1 PHE 68 3.472 -1.008 6.575 545 HD2 PHE 68 HD2 PHE 68 5.264 0.842 9.959 546 HE1 PHE 68 HE1 PHE 68 1.409 -1.372 7.855 547 HE2 PHE 68 HE2 PHE 68 3.203 0.478 11.250 548 HZ PHE 68 HZ PHE 68 1.267 -0.623 10.197 549 H GLU 69 HN GLU 69 5.243 -2.753 6.848 550 HA GLU 69 HA GLU 69 5.711 -4.638 8.895 551 1HB GLU 69 HB2 GLU 69 3.670 -2.591 9.402 552 2HB GLU 69 HB1 GLU 69 3.072 -4.237 9.564 553 1HG GLU 69 HG2 GLU 69 5.467 -4.302 10.915 554 2HG GLU 69 HG1 GLU 69 4.826 -2.706 11.299 555 H LYS 70 HN LYS 70 4.100 -6.466 8.759 556 HA LYS 70 HA LYS 70 2.575 -6.485 6.267 557 1HB LYS 70 HB2 LYS 70 3.575 -8.777 5.748 558 2HB LYS 70 HB1 LYS 70 4.600 -7.379 5.452 559 1HG LYS 70 HG2 LYS 70 5.451 -7.873 7.878 560 2HG LYS 70 HG1 LYS 70 4.822 -9.487 7.540 561 1HD LYS 70 HD2 LYS 70 6.734 -8.029 5.725 562 2HD LYS 70 HD1 LYS 70 7.250 -9.148 6.987 563 1HE LYS 70 HE2 LYS 70 5.210 -10.403 5.450 564 2HE LYS 70 HE1 LYS 70 6.405 -9.729 4.341 565 1HZ LYS 70 HZ1 LYS 70 7.466 -11.157 6.638 566 2HZ LYS 70 HZ2 LYS 70 7.978 -11.164 5.027 567 3HZ LYS 70 HZ3 LYS 70 6.655 -12.107 5.496 568 H LEU 71 HN LEU 71 0.656 -7.443 6.545 569 HA LEU 71 HA LEU 71 0.275 -9.098 8.945 570 1HB LEU 71 HB2 LEU 71 -1.128 -7.164 8.981 571 2HB LEU 71 HB1 LEU 71 -1.648 -7.435 7.330 572 HG LEU 71 HG LEU 71 -2.834 -9.476 8.054 573 1HD1 LEU 71 1HD1 LEU 71 -2.665 -8.742 10.899 574 2HD1 LEU 71 2HD1 LEU 71 -1.217 -9.471 10.206 575 3HD1 LEU 71 3HD1 LEU 71 -2.756 -10.328 10.136 576 1HD2 LEU 71 1HD2 LEU 71 -3.970 -7.542 9.923 577 2HD2 LEU 71 2HD2 LEU 71 -4.670 -8.273 8.480 578 3HD2 LEU 71 3HD2 LEU 71 -3.616 -6.868 8.332 579 H GLU 72 HN GLU 72 0.047 -11.211 8.653 580 HA GLU 72 HA GLU 72 -1.004 -12.168 6.076 581 1HB GLU 72 HB2 GLU 72 1.252 -12.785 6.019 582 2HB GLU 72 HB1 GLU 72 1.297 -13.144 7.739 583 1HG GLU 72 HG2 GLU 72 0.217 -15.192 7.457 584 2HG GLU 72 HG1 GLU 72 -0.343 -14.776 5.839 585 H TYR 73 HN TYR 73 -2.974 -12.949 6.377 586 HA TYR 73 HA TYR 73 -3.431 -14.843 8.560 587 1HB TYR 73 HB2 TYR 73 -4.246 -12.547 9.242 588 2HB TYR 73 HB1 TYR 73 -5.409 -12.648 7.925 589 HD1 TYR 73 HD1 TYR 73 -7.538 -13.074 8.688 590 HD2 TYR 73 HD2 TYR 73 -4.264 -15.004 10.600 591 HE1 TYR 73 HE1 TYR 73 -9.107 -14.264 10.162 592 HE2 TYR 73 HE2 TYR 73 -5.823 -16.200 12.077 593 HH TYR 73 HH TYR 73 -8.199 -16.902 12.067 594 H GLU 74 HN GLU 74 -5.028 -16.406 8.116 595 HA GLU 74 HA GLU 74 -5.992 -16.397 5.334 596 1HB GLU 74 HB2 GLU 74 -5.930 -18.984 5.664 597 2HB GLU 74 HB1 GLU 74 -4.458 -18.117 5.253 598 1HG GLU 74 HG2 GLU 74 -4.038 -18.039 7.779 599 2HG GLU 74 HG1 GLU 74 -5.281 -19.282 7.885 600 H PHE 75 HN PHE 75 -8.044 -16.978 4.931 601 HA PHE 75 HA PHE 75 -9.797 -17.335 7.256 602 1HB PHE 75 HB2 PHE 75 -9.970 -15.782 4.804 603 2HB PHE 75 HB1 PHE 75 -11.385 -16.800 5.024 604 HD1 PHE 75 HD1 PHE 75 -9.207 -14.623 7.135 605 HD2 PHE 75 HD2 PHE 75 -13.157 -15.797 6.073 606 HE1 PHE 75 HE1 PHE 75 -10.119 -12.982 8.726 607 HE2 PHE 75 HE2 PHE 75 -14.076 -14.157 7.661 608 HZ PHE 75 HZ PHE 75 -12.557 -12.747 8.989 609 HA PRO 76 HA PRO 76 -11.162 -21.409 6.297 610 1HB PRO 76 HB2 PRO 76 -13.884 -20.963 5.733 611 2HB PRO 76 HB1 PRO 76 -13.186 -21.344 7.307 612 1HG PRO 76 HG2 PRO 76 -13.959 -18.708 6.165 613 2HG PRO 76 HG1 PRO 76 -14.034 -19.275 7.844 614 1HD PRO 76 HD2 PRO 76 -12.132 -17.577 7.028 615 2HD PRO 76 HD1 PRO 76 -11.779 -18.846 8.217 616 H ASP 77 HN ASP 77 -9.897 -21.274 4.335 617 HA ASP 77 HA ASP 77 -9.745 -22.085 2.182 618 1HB ASP 77 HB2 ASP 77 -12.607 -21.284 1.669 619 2HB ASP 77 HB1 ASP 77 -11.621 -22.431 0.769 620 H ARG 78 HN ARG 78 -9.865 -19.146 3.288 621 HA ARG 78 HA ARG 78 -9.337 -17.951 0.665 622 1HB ARG 78 HB2 ARG 78 -11.665 -17.387 1.793 623 2HB ARG 78 HB1 ARG 78 -10.684 -16.267 2.728 624 1HG ARG 78 HG2 ARG 78 -10.403 -14.867 0.999 625 2HG ARG 78 HG1 ARG 78 -10.216 -16.180 -0.165 626 1HD ARG 78 HD2 ARG 78 -12.858 -16.381 0.559 627 2HD ARG 78 HD1 ARG 78 -12.586 -14.639 0.568 628 HE ARG 78 HE ARG 78 -11.488 -15.576 -1.783 629 1HH1 ARG 78 1HH1 ARG 78 -14.644 -15.524 -0.296 630 2HH1 ARG 78 2HH1 ARG 78 -15.492 -15.487 -1.805 631 1HH2 ARG 78 1HH2 ARG 78 -12.602 -15.525 -3.770 632 2HH2 ARG 78 2HH2 ARG 78 -14.333 -15.488 -3.777 633 H HIS 79 HN HIS 79 -7.130 -17.969 1.009 634 HA HIS 79 HA HIS 79 -5.994 -16.929 3.442 635 1HB HIS 79 HB2 HIS 79 -4.761 -17.820 0.834 636 2HB HIS 79 HB1 HIS 79 -3.819 -17.237 2.201 637 HD1 HIS 79 HD1 HIS 79 -2.858 -19.118 3.464 638 HD2 HIS 79 HD2 HIS 79 -6.594 -20.066 1.914 639 HE1 HIS 79 HE1 HIS 79 -3.316 -21.476 4.207 640 HE2 HIS 79 HE2 HIS 79 -5.619 -21.997 3.330 641 H ILE 80 HN ILE 80 -6.148 -14.799 3.800 642 HA ILE 80 HA ILE 80 -5.779 -12.948 1.566 643 HB ILE 80 HB ILE 80 -7.760 -12.429 2.751 644 1HG1 ILE 80 2HG1 ILE 80 -5.983 -10.511 4.164 645 2HG1 ILE 80 1HG1 ILE 80 -5.861 -10.588 2.411 646 1HG2 ILE 80 1HG2 ILE 80 -7.732 -12.022 5.231 647 2HG2 ILE 80 2HG2 ILE 80 -6.123 -12.740 5.256 648 3HG2 ILE 80 3HG2 ILE 80 -7.508 -13.700 4.738 649 1HD1 ILE 80 1HD1 ILE 80 -8.012 -9.538 4.117 650 2HD1 ILE 80 2HD1 ILE 80 -8.527 -10.429 2.685 651 3HD1 ILE 80 3HD1 ILE 80 -7.472 -9.027 2.517 652 H THR 81 HN THR 81 -3.739 -12.322 1.257 653 HA THR 81 HA THR 81 -1.945 -12.103 3.565 654 HB THR 81 HB THR 81 -0.580 -11.641 1.098 655 HG1 THR 81 HG1 THR 81 -2.171 -13.987 1.112 656 1HG2 THR 81 1HG2 THR 81 0.789 -13.402 1.731 657 2HG2 THR 81 2HG2 THR 81 -0.502 -14.216 2.616 658 3HG2 THR 81 3HG2 THR 81 0.221 -12.744 3.265 659 H LEU 82 HN LEU 82 -1.086 -10.205 4.217 660 HA LEU 82 HA LEU 82 -1.677 -7.811 2.600 661 1HB LEU 82 HB2 LEU 82 -2.605 -8.486 5.211 662 2HB LEU 82 HB1 LEU 82 -1.521 -7.116 5.355 663 HG LEU 82 HG LEU 82 -2.895 -5.939 3.618 664 1HD1 LEU 82 1HD1 LEU 82 -4.903 -8.117 4.129 665 2HD1 LEU 82 2HD1 LEU 82 -3.877 -8.053 2.696 666 3HD1 LEU 82 3HD1 LEU 82 -5.032 -6.759 3.011 667 1HD2 LEU 82 1HD2 LEU 82 -4.985 -5.968 5.339 668 2HD2 LEU 82 2HD2 LEU 82 -3.495 -5.062 5.600 669 3HD2 LEU 82 3HD2 LEU 82 -3.710 -6.643 6.352 670 H TRP 83 HN TRP 83 0.184 -6.945 1.912 671 HA TRP 83 HA TRP 83 2.504 -6.999 3.740 672 1HB TRP 83 HB2 TRP 83 2.864 -6.552 0.805 673 2HB TRP 83 HB1 TRP 83 3.980 -7.241 1.971 674 HD1 TRP 83 HD1 TRP 83 1.486 -9.447 2.831 675 HE1 TRP 83 HE1 TRP 83 1.323 -11.515 1.322 676 HE3 TRP 83 HE3 TRP 83 4.056 -7.696 -1.220 677 HZ2 TRP 83 HZ2 TRP 83 2.168 -12.309 -1.250 678 HZ3 TRP 83 HZ3 TRP 83 4.338 -9.174 -3.164 679 HH2 TRP 83 HH2 TRP 83 3.413 -11.435 -3.179 680 H PHE 84 HN PHE 84 3.107 -5.047 4.501 681 HA PHE 84 HA PHE 84 2.311 -2.684 2.939 682 1HB PHE 84 HB2 PHE 84 2.622 -2.962 5.933 683 2HB PHE 84 HB1 PHE 84 2.427 -1.420 5.111 684 HD1 PHE 84 HD1 PHE 84 0.332 -0.568 5.572 685 HD2 PHE 84 HD2 PHE 84 0.739 -4.722 4.709 686 HE1 PHE 84 HE1 PHE 84 -2.111 -0.830 5.658 687 HE2 PHE 84 HE2 PHE 84 -1.695 -4.982 4.797 688 HZ PHE 84 HZ PHE 84 -3.129 -3.041 5.269 689 H TRP 85 HN TRP 85 3.960 -1.819 1.901 690 HA TRP 85 HA TRP 85 6.670 -2.169 2.906 691 1HB TRP 85 HB2 TRP 85 5.813 -0.962 0.277 692 2HB TRP 85 HB1 TRP 85 7.416 -1.550 0.710 693 HD1 TRP 85 HD1 TRP 85 4.115 -2.688 -0.688 694 HE1 TRP 85 HE1 TRP 85 4.230 -5.198 -1.242 695 HE3 TRP 85 HE3 TRP 85 8.558 -3.820 1.571 696 HZ2 TRP 85 HZ2 TRP 85 5.972 -7.370 -0.783 697 HZ3 TRP 85 HZ3 TRP 85 9.379 -6.136 1.468 698 HH2 TRP 85 HH2 TRP 85 8.111 -7.874 0.315 699 H LEU 86 HN LEU 86 8.131 -0.443 3.226 700 HA LEU 86 HA LEU 86 6.804 2.114 3.788 701 1HB LEU 86 HB2 LEU 86 7.807 1.161 5.727 702 2HB LEU 86 HB1 LEU 86 9.317 0.876 4.884 703 HG LEU 86 HG LEU 86 9.597 3.360 4.690 704 1HD1 LEU 86 1HD1 LEU 86 7.401 3.522 6.736 705 2HD1 LEU 86 2HD1 LEU 86 7.131 3.809 5.017 706 3HD1 LEU 86 3HD1 LEU 86 8.237 4.843 5.921 707 1HD2 LEU 86 1HD2 LEU 86 10.515 3.594 6.831 708 2HD2 LEU 86 2HD2 LEU 86 10.565 1.860 6.516 709 3HD2 LEU 86 3HD2 LEU 86 9.312 2.531 7.561 710 H VAL 87 HN VAL 87 6.937 3.332 2.042 711 HA VAL 87 HA VAL 87 9.228 3.435 0.294 712 HB VAL 87 HB VAL 87 6.911 5.322 0.347 713 1HG1 VAL 87 1HG1 VAL 87 9.142 4.822 -1.449 714 2HG1 VAL 87 2HG1 VAL 87 8.100 6.234 -1.300 715 3HG1 VAL 87 3HG1 VAL 87 7.579 4.850 -2.262 716 1HG2 VAL 87 1HG2 VAL 87 6.334 3.440 -1.585 717 2HG2 VAL 87 2HG2 VAL 87 5.600 3.522 0.017 718 3HG2 VAL 87 3HG2 VAL 87 6.991 2.467 -0.265 719 H GLU 88 HN GLU 88 10.657 5.177 0.013 720 HA GLU 88 HA GLU 88 10.574 7.035 2.288 721 1HB GLU 88 HB2 GLU 88 12.487 5.517 2.321 722 2HB GLU 88 HB1 GLU 88 12.988 6.100 0.741 723 1HG GLU 88 HG2 GLU 88 14.363 7.310 2.096 724 2HG GLU 88 HG1 GLU 88 13.006 8.424 1.935 725 H ARG 89 HN ARG 89 10.995 7.002 -1.243 726 HA ARG 89 HA ARG 89 10.379 9.808 -1.305 727 1HB ARG 89 HB2 ARG 89 12.847 9.535 -2.797 728 2HB ARG 89 HB1 ARG 89 12.388 10.739 -1.604 729 1HG ARG 89 HG2 ARG 89 13.160 9.352 0.187 730 2HG ARG 89 HG1 ARG 89 13.439 8.004 -0.916 731 1HD ARG 89 HD2 ARG 89 15.429 8.802 -1.556 732 2HD ARG 89 HD1 ARG 89 14.814 10.446 -1.718 733 HE ARG 89 HE ARG 89 16.326 9.430 0.432 734 1HH1 ARG 89 1HH1 ARG 89 13.593 11.503 -0.211 735 2HH1 ARG 89 2HH1 ARG 89 13.823 12.459 1.213 736 1HH2 ARG 89 1HH2 ARG 89 16.630 10.687 2.307 737 2HH2 ARG 89 2HH2 ARG 89 15.547 11.997 2.644 738 H TRP 90 HN TRP 90 10.367 10.698 -3.553 739 HA TRP 90 HA TRP 90 10.293 8.739 -5.670 740 1HB TRP 90 HB2 TRP 90 8.034 8.954 -6.279 741 2HB TRP 90 HB1 TRP 90 8.004 8.760 -4.533 742 HD1 TRP 90 HD1 TRP 90 7.819 11.633 -7.137 743 HE1 TRP 90 HE1 TRP 90 6.254 13.445 -6.193 744 HE3 TRP 90 HE3 TRP 90 6.892 9.587 -2.552 745 HZ2 TRP 90 HZ2 TRP 90 4.811 13.936 -3.816 746 HZ3 TRP 90 HZ3 TRP 90 5.403 10.780 -1.005 747 HH2 TRP 90 HH2 TRP 90 4.384 12.914 -1.623 748 H GLU 91 HN GLU 91 10.945 9.552 -7.576 749 HA GLU 91 HA GLU 91 11.450 12.427 -7.680 750 1HB GLU 91 HB2 GLU 91 12.809 10.114 -8.621 751 2HB GLU 91 HB1 GLU 91 12.367 11.074 -10.026 752 1HG GLU 91 HG2 GLU 91 13.646 12.404 -7.686 753 2HG GLU 91 HG1 GLU 91 14.634 11.469 -8.808 754 H GLY 92 HN GLY 92 10.489 13.810 -9.078 755 1HA GLY 92 HA2 GLY 92 9.211 14.515 -10.892 756 2HA GLY 92 HA1 GLY 92 8.948 12.833 -11.327 757 H GLU 93 HN GLU 93 6.767 12.836 -11.574 758 HA GLU 93 HA GLU 93 5.167 13.643 -9.237 759 1HB GLU 93 HB2 GLU 93 4.942 14.648 -11.743 760 2HB GLU 93 HB1 GLU 93 3.804 13.311 -11.838 761 1HG GLU 93 HG2 GLU 93 2.673 14.193 -9.820 762 2HG GLU 93 HG1 GLU 93 3.759 15.580 -9.864 763 HA PRO 94 HA PRO 94 4.160 9.293 -9.035 764 1HB PRO 94 HB2 PRO 94 2.226 9.906 -6.976 765 2HB PRO 94 HB1 PRO 94 3.800 9.126 -6.809 766 1HG PRO 94 HG2 PRO 94 3.238 11.609 -5.827 767 2HG PRO 94 HG1 PRO 94 4.863 11.087 -6.308 768 1HD PRO 94 HD2 PRO 94 2.878 12.748 -7.820 769 2HD PRO 94 HD1 PRO 94 4.636 12.961 -7.659 770 H TRP 95 HN TRP 95 2.785 8.182 -10.289 771 HA TRP 95 HA TRP 95 0.041 9.168 -10.467 772 1HB TRP 95 HB2 TRP 95 0.013 8.679 -12.912 773 2HB TRP 95 HB1 TRP 95 1.033 10.032 -12.457 774 HD1 TRP 95 HD1 TRP 95 3.623 9.823 -12.932 775 HE1 TRP 95 HE1 TRP 95 5.011 8.225 -14.406 776 HE3 TRP 95 HE3 TRP 95 0.171 6.117 -13.563 777 HZ2 TRP 95 HZ2 TRP 95 4.657 5.734 -15.689 778 HZ3 TRP 95 HZ3 TRP 95 0.764 4.167 -14.935 779 HH2 TRP 95 HH2 TRP 95 2.968 3.974 -15.966 780 H GLY 96 HN GLY 96 2.109 6.491 -11.599 781 1HA GLY 96 HA2 GLY 96 1.624 4.236 -11.810 782 2HA GLY 96 HA1 GLY 96 1.043 4.440 -10.169 783 H LYS 97 HN LYS 97 -1.072 4.191 -9.749 784 HA LYS 97 HA LYS 97 -3.266 4.773 -11.246 785 1HB LYS 97 HB2 LYS 97 -1.867 2.554 -12.426 786 2HB LYS 97 HB1 LYS 97 -3.437 2.013 -11.853 787 1HG LYS 97 HG2 LYS 97 -3.093 4.448 -13.575 788 2HG LYS 97 HG1 LYS 97 -3.327 2.828 -14.235 789 1HD LYS 97 HD2 LYS 97 -5.519 3.224 -14.084 790 2HD LYS 97 HD1 LYS 97 -5.327 3.054 -12.338 791 1HE LYS 97 HE2 LYS 97 -5.584 5.257 -11.973 792 2HE LYS 97 HE1 LYS 97 -4.631 5.702 -13.389 793 1HZ LYS 97 HZ1 LYS 97 -7.273 4.546 -13.853 794 2HZ LYS 97 HZ2 LYS 97 -6.452 5.747 -14.716 795 3HZ LYS 97 HZ3 LYS 97 -7.215 6.128 -13.255 796 H GLU 98 HN GLU 98 -2.543 4.575 -8.551 797 HA GLU 98 HA GLU 98 -3.597 2.285 -7.268 798 1HB GLU 98 HB2 GLU 98 -3.641 3.747 -5.237 799 2HB GLU 98 HB1 GLU 98 -2.088 3.701 -6.061 800 1HG GLU 98 HG2 GLU 98 -2.139 5.918 -5.930 801 2HG GLU 98 HG1 GLU 98 -3.315 5.844 -7.242 802 H GLY 99 HN GLY 99 -5.020 5.412 -8.143 803 1HA GLY 99 HA2 GLY 99 -7.551 4.597 -8.672 804 2HA GLY 99 HA1 GLY 99 -7.553 4.757 -6.922 805 H GLN 100 HN GLN 100 -7.833 6.722 -6.038 806 HA GLN 100 HA GLN 100 -8.314 8.945 -7.865 807 1HB GLN 100 HB2 GLN 100 -8.800 8.948 -4.896 808 2HB GLN 100 HB1 GLN 100 -9.553 9.953 -6.127 809 1HG GLN 100 HG2 GLN 100 -10.921 8.226 -6.877 810 2HG GLN 100 HG1 GLN 100 -9.926 6.984 -6.116 811 1HE2 GLN 100 1HE2 GLN 100 -12.640 8.954 -5.818 812 2HE2 GLN 100 2HE2 GLN 100 -13.015 8.620 -4.165 813 HA PRO 101 HA PRO 101 -4.272 10.726 -7.330 814 1HB PRO 101 HB2 PRO 101 -6.062 13.088 -7.790 815 2HB PRO 101 HB1 PRO 101 -4.460 12.762 -8.463 816 1HG PRO 101 HG2 PRO 101 -6.589 12.323 -9.941 817 2HG PRO 101 HG1 PRO 101 -5.283 11.121 -9.917 818 1HD PRO 101 HD2 PRO 101 -7.959 11.038 -8.607 819 2HD PRO 101 HD1 PRO 101 -6.993 9.715 -9.292 820 H GLY 102 HN GLY 102 -3.193 11.769 -5.694 821 1HA GLY 102 HA2 GLY 102 -4.816 13.008 -3.566 822 2HA GLY 102 HA1 GLY 102 -3.611 11.793 -3.170 823 H GLU 103 HN GLU 103 -3.244 13.989 -1.851 824 HA GLU 103 HA GLU 103 -1.134 15.459 -3.292 825 1HB GLU 103 HB2 GLU 103 -3.183 16.418 -1.314 826 2HB GLU 103 HB1 GLU 103 -1.668 17.286 -1.529 827 1HG GLU 103 HG2 GLU 103 -2.297 17.255 -4.041 828 2HG GLU 103 HG1 GLU 103 -3.923 16.917 -3.449 829 H TRP 104 HN TRP 104 0.668 16.198 -1.970 830 HA TRP 104 HA TRP 104 1.712 14.177 -0.324 831 1HB TRP 104 HB2 TRP 104 2.691 17.007 -0.094 832 2HB TRP 104 HB1 TRP 104 3.618 15.512 -0.101 833 HD1 TRP 104 HD1 TRP 104 2.540 14.294 -2.841 834 HE1 TRP 104 HE1 TRP 104 3.256 15.372 -5.066 835 HE3 TRP 104 HE3 TRP 104 3.860 18.921 -1.114 836 HZ2 TRP 104 HZ2 TRP 104 4.248 17.856 -5.968 837 HZ3 TRP 104 HZ3 TRP 104 4.683 20.591 -2.723 838 HH2 TRP 104 HH2 TRP 104 4.873 20.067 -5.099 839 H MET 105 HN MET 105 0.783 13.605 1.547 840 HA MET 105 HA MET 105 0.115 15.738 3.466 841 1HB MET 105 HB2 MET 105 -1.193 13.077 3.708 842 2HB MET 105 HB1 MET 105 -1.801 14.668 4.135 843 1HG MET 105 HG2 MET 105 -1.721 14.976 1.498 844 2HG MET 105 HG1 MET 105 -1.908 13.224 1.557 845 1HE MET 105 HE1 MET 105 -3.097 16.556 1.907 846 2HE MET 105 HE2 MET 105 -4.112 16.505 3.348 847 3HE MET 105 HE3 MET 105 -4.846 16.404 1.748 848 H SER 106 HN SER 106 0.379 15.209 5.720 849 HA SER 106 HA SER 106 2.789 13.690 6.174 850 1HB SER 106 HB2 SER 106 2.748 15.662 7.439 851 2HB SER 106 HB1 SER 106 1.053 15.457 7.877 852 HG SER 106 HG SER 106 1.777 14.567 9.626 853 H LEU 107 HN LEU 107 2.792 11.583 6.532 854 HA LEU 107 HA LEU 107 0.399 10.154 7.166 855 1HB LEU 107 HB2 LEU 107 2.476 9.351 5.844 856 2HB LEU 107 HB1 LEU 107 3.138 8.971 7.422 857 HG LEU 107 HG LEU 107 0.891 7.673 7.750 858 1HD1 LEU 107 1HD1 LEU 107 1.016 8.117 4.797 859 2HD1 LEU 107 2HD1 LEU 107 -0.369 8.197 5.887 860 3HD1 LEU 107 3HD1 LEU 107 0.320 6.633 5.449 861 1HD2 LEU 107 1HD2 LEU 107 2.405 6.066 5.899 862 2HD2 LEU 107 2HD2 LEU 107 2.238 5.912 7.647 863 3HD2 LEU 107 3HD2 LEU 107 3.477 6.967 6.971 864 H VAL 108 HN VAL 108 2.801 11.680 9.066 865 HA VAL 108 HA VAL 108 2.972 10.165 11.351 866 HB VAL 108 HB VAL 108 2.653 13.167 11.359 867 1HG1 VAL 108 1HG1 VAL 108 3.969 11.210 13.229 868 2HG1 VAL 108 2HG1 VAL 108 2.648 12.327 13.575 869 3HG1 VAL 108 3HG1 VAL 108 4.273 12.946 13.280 870 1HG2 VAL 108 1HG2 VAL 108 4.544 13.374 10.213 871 2HG2 VAL 108 2HG2 VAL 108 4.578 11.626 9.975 872 3HG2 VAL 108 3HG2 VAL 108 5.385 12.342 11.369 873 H GLY 109 HN GLY 109 0.193 11.771 10.100 874 1HA GLY 109 HA2 GLY 109 -1.295 11.009 12.522 875 2HA GLY 109 HA1 GLY 109 -1.558 12.571 11.760 876 H LEU 110 HN LEU 110 -1.171 9.288 10.468 877 HA LEU 110 HA LEU 110 -3.066 9.613 8.420 878 1HB LEU 110 HB2 LEU 110 -1.328 7.895 8.363 879 2HB LEU 110 HB1 LEU 110 -2.070 7.080 9.727 880 HG LEU 110 HG LEU 110 -3.775 7.488 7.335 881 1HD1 LEU 110 1HD1 LEU 110 -1.764 6.823 6.231 882 2HD1 LEU 110 2HD1 LEU 110 -2.832 5.421 6.307 883 3HD1 LEU 110 3HD1 LEU 110 -1.468 5.554 7.419 884 1HD2 LEU 110 1HD2 LEU 110 -3.352 5.285 9.344 885 2HD2 LEU 110 2HD2 LEU 110 -4.457 5.169 7.975 886 3HD2 LEU 110 3HD2 LEU 110 -4.726 6.384 9.223 887 H ASN 111 HN ASN 111 -5.180 8.784 8.184 888 HA ASN 111 HA ASN 111 -6.620 8.605 10.728 889 1HB ASN 111 HB2 ASN 111 -7.084 10.281 8.681 890 2HB ASN 111 HB1 ASN 111 -8.130 8.945 8.209 891 1HD2 ASN 111 1HD2 ASN 111 -7.266 10.395 11.331 892 2HD2 ASN 111 2HD2 ASN 111 -8.891 10.691 11.836 893 H ALA 112 HN ALA 112 -6.716 6.525 11.328 894 HA ALA 112 HA ALA 112 -7.128 4.372 9.489 895 1HB ALA 112 HB1 ALA 112 -7.288 4.502 12.501 896 2HB ALA 112 HB2 ALA 112 -5.947 3.910 11.523 897 3HB ALA 112 HB3 ALA 112 -7.467 3.017 11.567 898 H ASP 113 HN ASP 113 -9.152 6.658 11.011 899 HA ASP 113 HA ASP 113 -11.542 5.060 11.059 900 1HB ASP 113 HB2 ASP 113 -10.982 7.089 12.551 901 2HB ASP 113 HB1 ASP 113 -11.462 8.067 11.167 902 H ASP 114 HN ASP 114 -10.322 7.738 9.070 903 HA ASP 114 HA ASP 114 -12.514 7.825 7.302 904 1HB ASP 114 HB2 ASP 114 -10.001 9.165 7.620 905 2HB ASP 114 HB1 ASP 114 -10.257 8.778 5.926 906 H PHE 115 HN PHE 115 -9.490 6.027 7.227 907 HA PHE 115 HA PHE 115 -9.898 5.109 4.536 908 1HB PHE 115 HB2 PHE 115 -7.765 4.322 4.664 909 2HB PHE 115 HB1 PHE 115 -7.691 5.388 6.063 910 HD1 PHE 115 HD1 PHE 115 -6.313 2.587 5.160 911 HD2 PHE 115 HD2 PHE 115 -9.167 3.833 8.047 912 HE1 PHE 115 HE1 PHE 115 -5.683 0.695 6.593 913 HE2 PHE 115 HE2 PHE 115 -8.545 1.940 9.490 914 HZ PHE 115 HZ PHE 115 -6.800 0.376 8.759 915 HA PRO 116 HA PRO 116 -12.258 1.436 4.934 916 1HB PRO 116 HB2 PRO 116 -10.489 -0.620 4.270 917 2HB PRO 116 HB1 PRO 116 -11.463 0.318 3.136 918 1HG PRO 116 HG2 PRO 116 -8.603 0.654 3.908 919 2HG PRO 116 HG1 PRO 116 -9.375 0.871 2.326 920 1HD PRO 116 HD2 PRO 116 -8.679 2.967 3.829 921 2HD PRO 116 HD1 PRO 116 -10.171 2.984 2.868 922 HA PRO 117 HA PRO 117 -11.376 0.043 9.094 923 1HB PRO 117 HB2 PRO 117 -13.590 -1.494 9.405 924 2HB PRO 117 HB1 PRO 117 -13.628 0.271 9.492 925 1HG PRO 117 HG2 PRO 117 -14.334 -1.526 7.203 926 2HG PRO 117 HG1 PRO 117 -15.189 -0.094 7.806 927 1HD PRO 117 HD2 PRO 117 -13.581 -0.008 5.638 928 2HD PRO 117 HD1 PRO 117 -13.752 1.367 6.747 929 H ALA 118 HN ALA 118 -11.638 -1.919 6.293 930 HA ALA 118 HA ALA 118 -11.211 -4.436 7.581 931 1HB ALA 118 HB1 ALA 118 -12.212 -4.838 5.592 932 2HB ALA 118 HB2 ALA 118 -10.536 -4.971 5.055 933 3HB ALA 118 HB3 ALA 118 -11.430 -3.472 4.798 934 H ASN 119 HN ASN 119 -9.158 -1.839 6.977 935 HA ASN 119 HA ASN 119 -6.813 -3.625 7.001 936 1HB ASN 119 HB2 ASN 119 -7.521 -1.445 5.257 937 2HB ASN 119 HB1 ASN 119 -5.998 -1.101 6.069 938 1HD2 ASN 119 1HD2 ASN 119 -6.704 -1.814 3.258 939 2HD2 ASN 119 2HD2 ASN 119 -5.677 -3.148 2.873 940 H GLU 120 HN GLU 120 -8.292 -2.374 9.335 941 HA GLU 120 HA GLU 120 -6.564 -0.332 10.333 942 1HB GLU 120 HB2 GLU 120 -7.921 -1.464 12.523 943 2HB GLU 120 HB1 GLU 120 -8.269 0.033 11.686 944 1HG GLU 120 HG2 GLU 120 -9.807 -1.069 10.228 945 2HG GLU 120 HG1 GLU 120 -9.380 -2.641 10.899 946 HA PRO 121 HA PRO 121 -5.130 -4.301 13.070 947 1HB PRO 121 HB2 PRO 121 -4.646 -5.764 10.503 948 2HB PRO 121 HB1 PRO 121 -4.969 -6.413 12.119 949 1HG PRO 121 HG2 PRO 121 -6.902 -6.337 10.301 950 2HG PRO 121 HG1 PRO 121 -7.244 -5.942 11.995 951 1HD PRO 121 HD2 PRO 121 -7.029 -4.147 9.637 952 2HD PRO 121 HD1 PRO 121 -8.012 -3.975 11.103 953 H VAL 122 HN VAL 122 -3.992 -3.534 9.800 954 HA VAL 122 HA VAL 122 -1.225 -3.730 10.524 955 HB VAL 122 HB VAL 122 -1.971 -2.229 8.081 956 1HG1 VAL 122 1HG1 VAL 122 0.273 -3.589 9.090 957 2HG1 VAL 122 2HG1 VAL 122 0.103 -2.785 7.530 958 3HG1 VAL 122 3HG1 VAL 122 -0.275 -4.499 7.681 959 1HG2 VAL 122 1HG2 VAL 122 -3.016 -4.912 8.663 960 2HG2 VAL 122 2HG2 VAL 122 -2.197 -4.742 7.111 961 3HG2 VAL 122 3HG2 VAL 122 -3.565 -3.700 7.504 962 H ILE 123 HN ILE 123 -3.379 -1.043 9.635 963 HA ILE 123 HA ILE 123 -1.479 0.990 10.091 964 HB ILE 123 HB ILE 123 -4.489 1.051 9.984 965 1HG1 ILE 123 2HG1 ILE 123 -2.890 0.615 7.953 966 2HG1 ILE 123 1HG1 ILE 123 -4.242 1.728 7.780 967 1HG2 ILE 123 1HG2 ILE 123 -2.576 3.361 10.271 968 2HG2 ILE 123 2HG2 ILE 123 -3.833 2.878 11.411 969 3HG2 ILE 123 3HG2 ILE 123 -4.275 3.518 9.828 970 1HD1 ILE 123 1HD1 ILE 123 -2.024 2.474 6.835 971 2HD1 ILE 123 2HD1 ILE 123 -1.487 2.657 8.506 972 3HD1 ILE 123 3HD1 ILE 123 -2.850 3.607 7.907 973 H ALA 124 HN ALA 124 -3.669 -0.710 12.212 974 HA ALA 124 HA ALA 124 -3.790 1.052 14.360 975 1HB ALA 124 HB1 ALA 124 -5.047 -1.121 14.084 976 2HB ALA 124 HB2 ALA 124 -4.420 -0.801 15.701 977 3HB ALA 124 HB3 ALA 124 -3.588 -1.939 14.641 978 H LYS 125 HN LYS 125 -1.255 -1.095 13.298 979 HA LYS 125 HA LYS 125 0.329 -0.936 15.664 980 1HB LYS 125 HB2 LYS 125 1.112 -1.637 12.830 981 2HB LYS 125 HB1 LYS 125 2.129 -1.873 14.245 982 1HG LYS 125 HG2 LYS 125 -0.509 -3.215 13.688 983 2HG LYS 125 HG1 LYS 125 1.091 -3.954 13.611 984 1HD LYS 125 HD2 LYS 125 1.133 -2.976 16.125 985 2HD LYS 125 HD1 LYS 125 -0.591 -3.303 15.944 986 1HE LYS 125 HE2 LYS 125 0.678 -5.207 16.897 987 2HE LYS 125 HE1 LYS 125 -0.153 -5.601 15.393 988 1HZ LYS 125 HZ1 LYS 125 2.595 -4.673 15.152 989 2HZ LYS 125 HZ2 LYS 125 1.781 -5.879 14.292 990 3HZ LYS 125 HZ3 LYS 125 2.381 -6.205 15.838 991 H LEU 126 HN LEU 126 0.509 0.722 12.519 992 HA LEU 126 HA LEU 126 2.689 2.392 13.355 993 1HB LEU 126 HB2 LEU 126 2.940 2.447 11.147 994 2HB LEU 126 HB1 LEU 126 1.360 1.734 10.902 995 HG LEU 126 HG LEU 126 1.718 4.690 11.356 996 1HD1 LEU 126 1HD1 LEU 126 1.275 4.528 8.714 997 2HD1 LEU 126 2HD1 LEU 126 2.250 3.077 8.944 998 3HD1 LEU 126 3HD1 LEU 126 2.884 4.652 9.426 999 1HD2 LEU 126 1HD2 LEU 126 -0.439 4.242 9.708 1000 2HD2 LEU 126 2HD2 LEU 126 -0.508 4.536 11.445 1001 3HD2 LEU 126 3HD2 LEU 126 -0.506 2.884 10.831 1002 H LYS 127 HN LYS 127 -0.783 2.647 13.238 1003 HA LYS 127 HA LYS 127 -1.157 5.389 13.365 1004 1HB LYS 127 HB2 LYS 127 -2.919 3.646 13.155 1005 2HB LYS 127 HB1 LYS 127 -2.755 3.321 14.869 1006 1HG LYS 127 HG2 LYS 127 -3.695 5.333 15.481 1007 2HG LYS 127 HG1 LYS 127 -3.328 6.095 13.934 1008 1HD LYS 127 HD2 LYS 127 -5.132 5.120 12.874 1009 2HD LYS 127 HD1 LYS 127 -5.210 3.779 14.018 1010 1HE LYS 127 HE2 LYS 127 -7.093 5.290 14.328 1011 2HE LYS 127 HE1 LYS 127 -6.043 5.300 15.744 1012 1HZ LYS 127 HZ1 LYS 127 -6.463 7.396 13.729 1013 2HZ LYS 127 HZ2 LYS 127 -4.975 7.316 14.529 1014 3HZ LYS 127 HZ3 LYS 127 -6.401 7.524 15.415 1015 H ARG 128 HN ARG 128 -0.506 3.085 15.962 1016 HA ARG 128 HA ARG 128 -0.691 4.971 18.072 1017 1HB ARG 128 HB2 ARG 128 -0.885 2.619 18.562 1018 2HB ARG 128 HB1 ARG 128 0.697 2.295 17.869 1019 1HG ARG 128 HG2 ARG 128 1.781 3.478 19.662 1020 2HG ARG 128 HG1 ARG 128 0.222 3.978 20.320 1021 1HD ARG 128 HD2 ARG 128 -0.296 1.838 21.056 1022 2HD ARG 128 HD1 ARG 128 0.846 1.076 19.952 1023 HE ARG 128 HE ARG 128 2.503 1.368 21.507 1024 1HH1 ARG 128 1HH1 ARG 128 -0.252 3.316 22.399 1025 2HH1 ARG 128 2HH1 ARG 128 0.390 3.738 23.951 1026 1HH2 ARG 128 1HH2 ARG 128 3.349 1.920 23.549 1027 2HH2 ARG 128 2HH2 ARG 128 2.434 2.945 24.604 1028 H LEU 129 HN LEU 129 1.514 4.591 15.576 1029 HA LEU 129 HA LEU 129 3.592 5.416 15.132 1030 1HB LEU 129 HB2 LEU 129 2.296 7.371 16.919 1031 2HB LEU 129 HB1 LEU 129 4.038 7.523 16.791 1032 HG LEU 129 HG LEU 129 3.912 7.884 14.423 1033 1HD1 LEU 129 1HD1 LEU 129 1.228 6.745 14.754 1034 2HD1 LEU 129 2HD1 LEU 129 2.325 6.694 13.374 1035 3HD1 LEU 129 3HD1 LEU 129 1.322 8.118 13.652 1036 1HD2 LEU 129 1HD2 LEU 129 3.548 9.854 15.756 1037 2HD2 LEU 129 2HD2 LEU 129 1.831 9.481 15.910 1038 3HD2 LEU 129 3HD2 LEU 129 2.501 9.920 14.338 1039 1HO1 MO2 130 1HO1 MO2 130 -5.547 -3.117 -9.497 1040 2HO1 MO2 130 2HO1 MO2 130 -5.448 0.179 -8.788 1041 1HO2 MO2 130 1HO2 MO2 130 -5.037 -2.568 -10.810 1042 2HO2 MO2 130 2HO2 MO2 130 -4.228 1.010 -8.458 1043 1H5* 8OG 131 1H5* ODG 131 -8.672 -9.616 -3.041 1044 2H5* 8OG 131 2H5* ODG 131 -9.983 -8.526 -3.380 1045 H4* 8OG 131 1H4* ODG 131 -7.747 -8.167 -1.395 1046 H3* 8OG 131 1H3* ODG 131 -10.296 -9.362 -1.078 1047 1H2* 8OG 131 1H2* ODG 131 -11.503 -7.779 -0.057 1048 2H2* 8OG 131 2H2* ODG 131 -10.232 -7.545 1.122 1049 H1* 8OG 131 1H1* ODG 131 -9.610 -5.646 0.173 1050 H1 8OG 131 H1 ODG 131 -12.664 -0.537 0.051 1051 H7 8OG 131 H7 ODG 131 -14.027 -4.748 -2.249 1052 1H2 8OG 131 H21 ODG 131 -9.570 -1.255 1.516 1053 2H2 8OG 131 H22 ODG 131 -10.807 -0.072 1.257 1054 H3T 8OG 131 *HO1 ODG 131 -9.429 -9.815 1.031 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -10.755 -21.106 -0.696 2 2H MET 1 HT2 MET 1 -11.153 -22.744 -1.020 3 3H MET 1 HT3 MET 1 -11.209 -21.579 -2.280 4 HA MET 1 HA MET 1 -8.747 -22.166 -0.804 5 1HB MET 1 HB2 MET 1 -8.219 -23.679 -2.748 6 2HB MET 1 HB1 MET 1 -9.457 -24.285 -1.656 7 1HG MET 1 HG2 MET 1 -11.165 -23.911 -3.181 8 2HG MET 1 HG1 MET 1 -10.206 -22.771 -4.123 9 1HE MET 1 HE1 MET 1 -9.243 -23.236 -6.174 10 2HE MET 1 HE2 MET 1 -8.538 -24.750 -6.738 11 3HE MET 1 HE3 MET 1 -7.763 -23.850 -5.434 12 H LYS 2 HN LYS 2 -9.949 -19.703 -1.862 13 HA LYS 2 HA LYS 2 -8.126 -19.155 -4.107 14 1HB LYS 2 HB2 LYS 2 -10.786 -18.750 -4.077 15 2HB LYS 2 HB1 LYS 2 -10.255 -17.209 -3.418 16 1HG LYS 2 HG2 LYS 2 -8.594 -17.394 -5.514 17 2HG LYS 2 HG1 LYS 2 -9.965 -18.315 -6.136 18 1HD LYS 2 HD2 LYS 2 -11.292 -16.226 -5.141 19 2HD LYS 2 HD1 LYS 2 -9.749 -15.433 -5.466 20 1HE LYS 2 HE2 LYS 2 -10.761 -17.155 -7.626 21 2HE LYS 2 HE1 LYS 2 -11.735 -15.724 -7.286 22 1HZ LYS 2 HZ1 LYS 2 -9.875 -14.325 -7.674 23 2HZ LYS 2 HZ2 LYS 2 -9.960 -15.399 -8.978 24 3HZ LYS 2 HZ3 LYS 2 -8.808 -15.636 -7.762 25 H LYS 3 HN LYS 3 -6.265 -18.447 -3.236 26 HA LYS 3 HA LYS 3 -6.314 -16.605 -0.979 27 1HB LYS 3 HB2 LYS 3 -3.988 -17.876 -2.433 28 2HB LYS 3 HB1 LYS 3 -3.862 -16.886 -0.985 29 1HG LYS 3 HG2 LYS 3 -3.838 -18.906 0.014 30 2HG LYS 3 HG1 LYS 3 -5.588 -18.714 -0.091 31 1HD LYS 3 HD2 LYS 3 -5.697 -20.584 -1.289 32 2HD LYS 3 HD1 LYS 3 -4.736 -19.809 -2.551 33 1HE LYS 3 HE2 LYS 3 -3.716 -21.905 -1.840 34 2HE LYS 3 HE1 LYS 3 -2.685 -20.533 -1.438 35 1HZ LYS 3 HZ1 LYS 3 -2.621 -21.619 0.530 36 2HZ LYS 3 HZ2 LYS 3 -4.133 -22.349 0.326 37 3HZ LYS 3 HZ3 LYS 3 -4.035 -20.733 0.812 38 H LEU 4 HN LEU 4 -5.951 -14.474 -1.119 39 HA LEU 4 HA LEU 4 -5.012 -13.398 -3.695 40 1HB LEU 4 HB2 LEU 4 -6.549 -11.567 -3.519 41 2HB LEU 4 HB1 LEU 4 -7.446 -13.067 -3.381 42 HG LEU 4 HG LEU 4 -7.031 -12.551 -0.768 43 1HD1 LEU 4 1HD1 LEU 4 -6.207 -10.499 -0.491 44 2HD1 LEU 4 2HD1 LEU 4 -7.794 -9.914 -0.990 45 3HD1 LEU 4 3HD1 LEU 4 -6.496 -10.063 -2.175 46 1HD2 LEU 4 1HD2 LEU 4 -9.162 -12.879 -2.254 47 2HD2 LEU 4 2HD2 LEU 4 -9.281 -11.126 -2.107 48 3HD2 LEU 4 3HD2 LEU 4 -9.287 -12.135 -0.659 49 H GLN 5 HN GLN 5 -3.230 -12.242 -3.527 50 HA GLN 5 HA GLN 5 -2.420 -11.235 -0.904 51 1HB GLN 5 HB2 GLN 5 -0.740 -11.525 -3.389 52 2HB GLN 5 HB1 GLN 5 -0.169 -11.189 -1.759 53 1HG GLN 5 HG2 GLN 5 -1.212 -13.419 -1.121 54 2HG GLN 5 HG1 GLN 5 -1.335 -13.719 -2.847 55 1HE2 GLN 5 1HE2 GLN 5 0.477 -14.364 -0.250 56 2HE2 GLN 5 2HE2 GLN 5 2.023 -14.582 -0.988 57 H ILE 6 HN ILE 6 -1.499 -9.174 -0.684 58 HA ILE 6 HA ILE 6 -1.864 -7.245 -2.830 59 HB ILE 6 HB ILE 6 -3.210 -7.001 -0.134 60 1HG1 ILE 6 2HG1 ILE 6 -4.359 -6.930 -2.932 61 2HG1 ILE 6 1HG1 ILE 6 -4.404 -8.330 -1.865 62 1HG2 ILE 6 1HG2 ILE 6 -2.201 -4.885 -0.704 63 2HG2 ILE 6 2HG2 ILE 6 -3.951 -4.782 -0.901 64 3HG2 ILE 6 3HG2 ILE 6 -2.911 -4.947 -2.317 65 1HD1 ILE 6 1HD1 ILE 6 -6.440 -7.514 -1.375 66 2HD1 ILE 6 2HD1 ILE 6 -6.011 -5.866 -1.833 67 3HD1 ILE 6 3HD1 ILE 6 -5.526 -6.499 -0.260 68 H ALA 7 HN ALA 7 -0.236 -5.784 -2.835 69 HA ALA 7 HA ALA 7 1.367 -5.520 -0.367 70 1HB ALA 7 HB1 ALA 7 2.203 -6.243 -3.087 71 2HB ALA 7 HB2 ALA 7 2.985 -6.557 -1.539 72 3HB ALA 7 HB3 ALA 7 3.180 -4.990 -2.324 73 H VAL 8 HN VAL 8 1.481 -3.491 0.357 74 HA VAL 8 HA VAL 8 0.953 -1.324 -1.562 75 HB VAL 8 HB VAL 8 -0.543 -0.381 -0.215 76 1HG1 VAL 8 1HG1 VAL 8 -1.403 -2.593 -0.043 77 2HG1 VAL 8 2HG1 VAL 8 -1.565 -1.837 1.543 78 3HG1 VAL 8 3HG1 VAL 8 -0.270 -2.997 1.247 79 1HG2 VAL 8 1HG2 VAL 8 1.093 0.580 1.241 80 2HG2 VAL 8 2HG2 VAL 8 1.322 -0.953 2.083 81 3HG2 VAL 8 3HG2 VAL 8 -0.201 -0.078 2.245 82 H GLY 9 HN GLY 9 1.875 0.785 -0.989 83 1HA GLY 9 HA2 GLY 9 4.302 0.635 0.641 84 2HA GLY 9 HA1 GLY 9 4.469 1.066 -1.050 85 H ILE 10 HN ILE 10 4.158 2.274 2.009 86 HA ILE 10 HA ILE 10 2.572 4.614 1.530 87 HB ILE 10 HB ILE 10 4.742 4.430 3.620 88 1HG1 ILE 10 2HG1 ILE 10 2.500 3.504 4.908 89 2HG1 ILE 10 1HG1 ILE 10 2.380 2.710 3.341 90 1HG2 ILE 10 1HG2 ILE 10 2.809 5.560 4.933 91 2HG2 ILE 10 2HG2 ILE 10 2.156 5.883 3.328 92 3HG2 ILE 10 3HG2 ILE 10 3.746 6.502 3.773 93 1HD1 ILE 10 1HD1 ILE 10 4.073 1.326 3.785 94 2HD1 ILE 10 2HD1 ILE 10 3.780 1.773 5.466 95 3HD1 ILE 10 3HD1 ILE 10 5.040 2.591 4.544 96 H ILE 11 HN ILE 11 3.310 5.689 -0.283 97 HA ILE 11 HA ILE 11 6.060 6.154 -0.824 98 HB ILE 11 HB ILE 11 4.083 7.972 -2.058 99 1HG1 ILE 11 2HG1 ILE 11 3.895 5.001 -2.147 100 2HG1 ILE 11 1HG1 ILE 11 2.627 6.212 -2.307 101 1HG2 ILE 11 1HG2 ILE 11 6.014 6.221 -3.504 102 2HG2 ILE 11 2HG2 ILE 11 6.629 7.564 -2.542 103 3HG2 ILE 11 3HG2 ILE 11 5.499 7.869 -3.861 104 1HD1 ILE 11 1HD1 ILE 11 4.633 5.461 -4.413 105 2HD1 ILE 11 2HD1 ILE 11 3.373 6.683 -4.583 106 3HD1 ILE 11 3HD1 ILE 11 2.934 4.987 -4.374 107 H ARG 12 HN ARG 12 7.315 7.391 0.287 108 HA ARG 12 HA ARG 12 6.305 9.681 1.754 109 1HB ARG 12 HB2 ARG 12 8.671 7.989 1.839 110 2HB ARG 12 HB1 ARG 12 9.066 9.692 2.008 111 1HG ARG 12 HG2 ARG 12 6.803 9.047 3.645 112 2HG ARG 12 HG1 ARG 12 8.131 7.934 3.976 113 1HD ARG 12 HD2 ARG 12 9.115 10.628 3.736 114 2HD ARG 12 HD1 ARG 12 7.813 10.555 4.922 115 HE ARG 12 HE ARG 12 9.153 9.277 6.293 116 1HH1 ARG 12 1HH1 ARG 12 10.664 9.610 3.161 117 2HH1 ARG 12 2HH1 ARG 12 12.184 8.972 3.691 118 1HH2 ARG 12 1HH2 ARG 12 11.151 8.439 6.985 119 2HH2 ARG 12 2HH2 ARG 12 12.461 8.307 5.860 120 H ASN 13 HN ASN 13 6.602 11.776 1.277 121 HA ASN 13 HA ASN 13 7.869 12.385 -1.299 122 1HB ASN 13 HB2 ASN 13 6.505 14.447 -1.285 123 2HB ASN 13 HB1 ASN 13 5.539 12.989 -1.220 124 1HD2 ASN 13 1HD2 ASN 13 3.901 13.105 0.096 125 2HD2 ASN 13 2HD2 ASN 13 3.831 14.016 1.560 126 H GLU 14 HN GLU 14 8.234 14.968 -1.240 127 HA GLU 14 HA GLU 14 10.691 15.315 0.085 128 1HB GLU 14 HB2 GLU 14 10.230 16.332 -2.051 129 2HB GLU 14 HB1 GLU 14 8.880 17.237 -1.367 130 1HG GLU 14 HG2 GLU 14 10.239 18.782 -0.390 131 2HG GLU 14 HG1 GLU 14 11.570 17.646 -0.175 132 H ASN 15 HN ASN 15 7.634 15.626 1.423 133 HA ASN 15 HA ASN 15 8.668 17.568 3.386 134 1HB ASN 15 HB2 ASN 15 6.882 18.539 1.981 135 2HB ASN 15 HB1 ASN 15 5.790 17.270 2.519 136 1HD2 ASN 15 1HD2 ASN 15 4.341 18.287 3.730 137 2HD2 ASN 15 2HD2 ASN 15 4.701 19.311 5.074 138 H ASN 16 HN ASN 16 9.087 14.857 3.714 139 HA ASN 16 HA ASN 16 8.741 13.078 5.105 140 1HB ASN 16 HB2 ASN 16 8.581 13.655 7.439 141 2HB ASN 16 HB1 ASN 16 9.586 14.854 6.633 142 1HD2 ASN 16 1HD2 ASN 16 6.609 14.239 8.269 143 2HD2 ASN 16 2HD2 ASN 16 6.106 15.885 8.418 144 H GLU 17 HN GLU 17 6.407 13.914 3.505 145 HA GLU 17 HA GLU 17 4.326 12.674 5.173 146 1HB GLU 17 HB2 GLU 17 2.902 14.040 3.238 147 2HB GLU 17 HB1 GLU 17 3.095 14.531 4.909 148 1HG GLU 17 HG2 GLU 17 4.370 16.278 4.381 149 2HG GLU 17 HG1 GLU 17 5.278 15.385 3.168 150 H ILE 18 HN ILE 18 2.693 11.451 3.889 151 HA ILE 18 HA ILE 18 3.969 10.315 1.493 152 HB ILE 18 HB ILE 18 4.068 8.655 3.172 153 1HG1 ILE 18 2HG1 ILE 18 2.900 8.182 0.797 154 2HG1 ILE 18 1HG1 ILE 18 3.186 6.920 1.973 155 1HG2 ILE 18 1HG2 ILE 18 2.193 7.947 4.521 156 2HG2 ILE 18 2HG2 ILE 18 1.131 9.084 3.691 157 3HG2 ILE 18 3HG2 ILE 18 2.444 9.682 4.702 158 1HD1 ILE 18 1HD1 ILE 18 0.980 6.706 1.093 159 2HD1 ILE 18 2HD1 ILE 18 0.621 8.387 1.477 160 3HD1 ILE 18 3HD1 ILE 18 0.865 7.221 2.775 161 H PHE 19 HN PHE 19 2.741 9.741 -0.246 162 HA PHE 19 HA PHE 19 0.179 11.099 -0.491 163 1HB PHE 19 HB2 PHE 19 1.720 11.497 -2.280 164 2HB PHE 19 HB1 PHE 19 2.045 9.781 -2.474 165 HD1 PHE 19 HD1 PHE 19 0.279 8.314 -3.469 166 HD2 PHE 19 HD2 PHE 19 -0.052 12.555 -3.396 167 HE1 PHE 19 HE1 PHE 19 -1.427 8.206 -5.235 168 HE2 PHE 19 HE2 PHE 19 -1.755 12.454 -5.167 169 HZ PHE 19 HZ PHE 19 -2.449 10.279 -6.086 170 H ILE 20 HN ILE 20 -1.303 9.829 0.577 171 HA ILE 20 HA ILE 20 -1.535 7.026 -0.274 172 HB ILE 20 HB ILE 20 -3.310 7.353 1.808 173 1HG1 ILE 20 2HG1 ILE 20 -0.793 8.887 2.475 174 2HG1 ILE 20 1HG1 ILE 20 -2.419 9.552 2.376 175 1HG2 ILE 20 1HG2 ILE 20 -2.247 5.453 2.215 176 2HG2 ILE 20 2HG2 ILE 20 -0.962 6.397 2.969 177 3HG2 ILE 20 3HG2 ILE 20 -0.854 5.965 1.263 178 1HD1 ILE 20 1HD1 ILE 20 -3.021 8.733 4.393 179 2HD1 ILE 20 2HD1 ILE 20 -1.284 8.853 4.670 180 3HD1 ILE 20 3HD1 ILE 20 -2.004 7.301 4.244 181 H THR 21 HN THR 21 -3.805 6.221 -0.498 182 HA THR 21 HA THR 21 -5.346 8.090 -2.074 183 HB THR 21 HB THR 21 -6.589 6.260 -2.821 184 HG1 THR 21 HG1 THR 21 -7.318 5.408 -0.917 185 1HG2 THR 21 1HG2 THR 21 -3.945 5.054 -2.045 186 2HG2 THR 21 2HG2 THR 21 -4.302 5.930 -3.534 187 3HG2 THR 21 3HG2 THR 21 -5.080 4.379 -3.213 188 H ARG 22 HN ARG 22 -6.637 9.506 -1.092 189 HA ARG 22 HA ARG 22 -8.203 8.581 1.229 190 1HB ARG 22 HB2 ARG 22 -6.445 10.154 1.915 191 2HB ARG 22 HB1 ARG 22 -7.057 11.342 0.772 192 1HG ARG 22 HG2 ARG 22 -9.265 11.149 2.067 193 2HG ARG 22 HG1 ARG 22 -8.295 10.375 3.320 194 1HD ARG 22 HD2 ARG 22 -7.236 12.903 2.220 195 2HD ARG 22 HD1 ARG 22 -8.708 13.028 3.183 196 HE ARG 22 HE ARG 22 -7.093 11.499 4.720 197 1HH1 ARG 22 1HH1 ARG 22 -6.671 14.587 3.151 198 2HH1 ARG 22 2HH1 ARG 22 -5.563 15.182 4.342 199 1HH2 ARG 22 1HH2 ARG 22 -5.637 12.281 6.289 200 2HH2 ARG 22 2HH2 ARG 22 -4.977 13.873 6.123 201 H ARG 23 HN ARG 23 -10.342 8.934 1.199 202 HA ARG 23 HA ARG 23 -12.405 9.306 0.298 203 1HB ARG 23 HB2 ARG 23 -11.311 12.002 -0.482 204 2HB ARG 23 HB1 ARG 23 -12.960 11.591 -0.032 205 1HG ARG 23 HG2 ARG 23 -11.412 10.861 2.165 206 2HG ARG 23 HG1 ARG 23 -10.750 12.404 1.625 207 1HD ARG 23 HD2 ARG 23 -13.246 13.129 1.516 208 2HD ARG 23 HD1 ARG 23 -13.505 11.754 2.588 209 HE ARG 23 HE ARG 23 -12.384 14.270 3.287 210 1HH1 ARG 23 1HH1 ARG 23 -12.196 10.858 3.995 211 2HH1 ARG 23 2HH1 ARG 23 -11.613 11.098 5.609 212 1HH2 ARG 23 1HH2 ARG 23 -11.618 14.587 5.408 213 2HH2 ARG 23 2HH2 ARG 23 -11.286 13.214 6.411 214 H ALA 24 HN ALA 24 -10.343 8.214 -1.526 215 HA ALA 24 HA ALA 24 -10.092 7.661 -3.714 216 1HB ALA 24 HB1 ALA 24 -12.308 8.088 -5.093 217 2HB ALA 24 HB2 ALA 24 -12.977 8.324 -3.477 218 3HB ALA 24 HB3 ALA 24 -12.195 6.800 -3.894 219 H ALA 25 HN ALA 25 -12.355 10.260 -4.479 220 HA ALA 25 HA ALA 25 -10.166 11.986 -5.343 221 1HB ALA 25 HB1 ALA 25 -10.691 12.046 -7.572 222 2HB ALA 25 HB2 ALA 25 -12.364 11.554 -7.305 223 3HB ALA 25 HB3 ALA 25 -11.066 10.363 -7.205 224 H ASP 26 HN ASP 26 -13.694 11.572 -5.172 225 HA ASP 26 HA ASP 26 -13.924 14.192 -3.940 226 1HB ASP 26 HB2 ASP 26 -15.804 14.795 -5.546 227 2HB ASP 26 HB1 ASP 26 -14.169 14.888 -6.193 228 H ALA 27 HN ALA 27 -15.768 11.459 -5.290 229 HA ALA 27 HA ALA 27 -17.251 11.314 -2.764 230 1HB ALA 27 HB1 ALA 27 -18.512 11.318 -5.503 231 2HB ALA 27 HB2 ALA 27 -18.700 12.544 -4.248 232 3HB ALA 27 HB3 ALA 27 -19.354 10.923 -4.004 233 H HIS 28 HN HIS 28 -17.076 9.343 -1.952 234 HA HIS 28 HA HIS 28 -17.681 6.979 -3.310 235 1HB HIS 28 HB2 HIS 28 -15.058 7.898 -3.867 236 2HB HIS 28 HB1 HIS 28 -14.896 6.509 -2.797 237 HD1 HIS 28 HD1 HIS 28 -17.023 4.639 -3.790 238 HD2 HIS 28 HD2 HIS 28 -14.659 6.905 -6.348 239 HE1 HIS 28 HE1 HIS 28 -17.078 3.436 -5.997 240 HE2 HIS 28 HE2 HIS 28 -15.711 4.871 -7.552 241 H MET 29 HN MET 29 -14.963 7.527 -1.092 242 HA MET 29 HA MET 29 -16.530 6.770 1.210 243 1HB MET 29 HB2 MET 29 -14.422 4.943 0.066 244 2HB MET 29 HB1 MET 29 -14.903 4.877 1.756 245 1HG MET 29 HG2 MET 29 -16.335 3.327 0.999 246 2HG MET 29 HG1 MET 29 -17.316 4.737 0.604 247 1HE MET 29 HE1 MET 29 -17.668 1.742 -1.456 248 2HE MET 29 HE2 MET 29 -16.436 1.653 -0.198 249 3HE MET 29 HE3 MET 29 -15.984 1.456 -1.890 250 H ALA 30 HN ALA 30 -15.871 8.095 2.753 251 HA ALA 30 HA ALA 30 -13.286 9.376 2.603 252 1HB ALA 30 HB1 ALA 30 -15.126 10.766 3.205 253 2HB ALA 30 HB2 ALA 30 -14.095 10.605 4.627 254 3HB ALA 30 HB3 ALA 30 -15.593 9.679 4.514 255 H ASN 31 HN ASN 31 -14.741 6.763 4.359 256 HA ASN 31 HA ASN 31 -12.584 6.713 6.311 257 1HB ASN 31 HB2 ASN 31 -14.146 4.494 6.797 258 2HB ASN 31 HB1 ASN 31 -14.296 6.048 7.598 259 1HD2 ASN 31 1HD2 ASN 31 -16.002 7.377 7.105 260 2HD2 ASN 31 2HD2 ASN 31 -17.352 6.858 6.160 261 H LYS 32 HN LYS 32 -12.381 5.996 3.332 262 HA LYS 32 HA LYS 32 -11.271 3.303 3.712 263 1HB LYS 32 HB2 LYS 32 -13.012 4.334 1.689 264 2HB LYS 32 HB1 LYS 32 -11.499 3.833 0.948 265 1HG LYS 32 HG2 LYS 32 -12.681 1.885 0.843 266 2HG LYS 32 HG1 LYS 32 -11.862 1.680 2.393 267 1HD LYS 32 HD2 LYS 32 -14.437 3.078 2.549 268 2HD LYS 32 HD1 LYS 32 -14.544 1.404 1.999 269 1HE LYS 32 HE2 LYS 32 -13.645 0.568 3.973 270 2HE LYS 32 HE1 LYS 32 -12.916 2.113 4.409 271 1HZ LYS 32 HZ1 LYS 32 -14.767 1.807 5.815 272 2HZ LYS 32 HZ2 LYS 32 -15.780 1.366 4.534 273 3HZ LYS 32 HZ3 LYS 32 -15.243 2.964 4.674 274 H LEU 33 HN LEU 33 -10.002 5.886 4.223 275 HA LEU 33 HA LEU 33 -8.179 6.663 2.282 276 1HB LEU 33 HB2 LEU 33 -8.692 7.629 4.638 277 2HB LEU 33 HB1 LEU 33 -7.433 6.540 5.184 278 HG LEU 33 HG LEU 33 -7.120 8.795 3.205 279 1HD1 LEU 33 1HD1 LEU 33 -6.176 8.393 6.034 280 2HD1 LEU 33 2HD1 LEU 33 -7.270 9.636 5.429 281 3HD1 LEU 33 3HD1 LEU 33 -5.570 9.657 4.964 282 1HD2 LEU 33 1HD2 LEU 33 -5.686 7.000 2.519 283 2HD2 LEU 33 2HD2 LEU 33 -5.135 6.745 4.175 284 3HD2 LEU 33 3HD2 LEU 33 -4.701 8.225 3.319 285 H GLU 34 HN GLU 34 -7.525 4.710 1.207 286 HA GLU 34 HA GLU 34 -5.657 3.032 2.734 287 1HB GLU 34 HB2 GLU 34 -7.736 2.189 1.277 288 2HB GLU 34 HB1 GLU 34 -6.521 2.235 0.007 289 1HG GLU 34 HG2 GLU 34 -5.295 0.968 2.176 290 2HG GLU 34 HG1 GLU 34 -6.924 0.301 2.088 291 H PHE 35 HN PHE 35 -4.009 1.982 1.031 292 HA PHE 35 HA PHE 35 -2.736 4.239 -0.363 293 1HB PHE 35 HB2 PHE 35 -0.750 2.317 0.290 294 2HB PHE 35 HB1 PHE 35 -0.912 3.961 0.893 295 HD1 PHE 35 HD1 PHE 35 -0.849 4.171 3.167 296 HD2 PHE 35 HD2 PHE 35 -2.551 0.652 1.487 297 HE1 PHE 35 HE1 PHE 35 -1.267 3.299 5.428 298 HE2 PHE 35 HE2 PHE 35 -2.974 -0.225 3.746 299 HZ PHE 35 HZ PHE 35 -2.332 1.098 5.720 300 HA PRO 36 HA PRO 36 -2.428 1.964 -4.132 301 1HB PRO 36 HB2 PRO 36 0.193 2.367 -4.835 302 2HB PRO 36 HB1 PRO 36 -1.076 3.573 -5.045 303 1HG PRO 36 HG2 PRO 36 0.954 3.320 -2.863 304 2HG PRO 36 HG1 PRO 36 0.392 4.775 -3.706 305 1HD PRO 36 HD2 PRO 36 -0.498 4.141 -1.255 306 2HD PRO 36 HD1 PRO 36 -1.560 4.895 -2.461 307 H GLY 37 HN GLY 37 -1.220 0.137 -5.218 308 1HA GLY 37 HA2 GLY 37 0.346 -1.678 -5.018 309 2HA GLY 37 HA1 GLY 37 0.313 -1.452 -3.298 310 H GLY 38 HN GLY 38 -2.017 -2.079 -5.816 311 1HA GLY 38 HA2 GLY 38 -3.025 -4.374 -4.267 312 2HA GLY 38 HA1 GLY 38 -4.126 -3.227 -5.020 313 H LYS 39 HN LYS 39 -2.845 -6.214 -5.371 314 HA LYS 39 HA LYS 39 -3.604 -7.538 -7.232 315 1HB LYS 39 HB2 LYS 39 -4.202 -5.571 -8.619 316 2HB LYS 39 HB1 LYS 39 -2.495 -5.327 -8.965 317 1HG LYS 39 HG2 LYS 39 -2.499 -6.872 -10.560 318 2HG LYS 39 HG1 LYS 39 -3.340 -8.038 -9.537 319 1HD LYS 39 HD2 LYS 39 -4.907 -5.763 -10.636 320 2HD LYS 39 HD1 LYS 39 -4.439 -7.056 -11.743 321 1HE LYS 39 HE2 LYS 39 -6.421 -7.904 -11.009 322 2HE LYS 39 HE1 LYS 39 -5.352 -8.572 -9.775 323 1HZ LYS 39 HZ1 LYS 39 -7.553 -7.221 -9.203 324 2HZ LYS 39 HZ2 LYS 39 -6.457 -5.932 -9.242 325 3HZ LYS 39 HZ3 LYS 39 -6.198 -7.230 -8.190 326 H ILE 40 HN ILE 40 -0.863 -6.594 -5.836 327 HA ILE 40 HA ILE 40 1.201 -7.409 -7.528 328 HB ILE 40 HB ILE 40 2.623 -7.498 -5.698 329 1HG1 ILE 40 2HG1 ILE 40 0.618 -7.587 -3.532 330 2HG1 ILE 40 1HG1 ILE 40 0.735 -9.065 -4.479 331 1HG2 ILE 40 1HG2 ILE 40 1.042 -5.368 -6.064 332 2HG2 ILE 40 2HG2 ILE 40 2.349 -5.416 -4.885 333 3HG2 ILE 40 3HG2 ILE 40 0.689 -5.716 -4.375 334 1HD1 ILE 40 1HD1 ILE 40 2.677 -9.629 -3.567 335 2HD1 ILE 40 2HD1 ILE 40 2.289 -8.426 -2.338 336 3HD1 ILE 40 3HD1 ILE 40 3.324 -7.994 -3.699 337 H GLU 41 HN GLU 41 -1.128 -9.172 -5.785 338 HA GLU 41 HA GLU 41 -0.075 -11.631 -5.355 339 1HB GLU 41 HB2 GLU 41 -2.457 -12.459 -6.062 340 2HB GLU 41 HB1 GLU 41 -2.245 -11.451 -4.644 341 1HG GLU 41 HG2 GLU 41 -3.618 -9.936 -5.462 342 2HG GLU 41 HG1 GLU 41 -2.645 -9.762 -6.911 343 H MET 42 HN MET 42 -2.209 -11.450 -8.156 344 HA MET 42 HA MET 42 -2.148 -12.707 -10.083 345 1HB MET 42 HB2 MET 42 -0.125 -10.640 -10.058 346 2HB MET 42 HB1 MET 42 0.342 -11.957 -11.124 347 1HG MET 42 HG2 MET 42 -1.299 -11.533 -12.605 348 2HG MET 42 HG1 MET 42 -2.437 -11.010 -11.364 349 1HE MET 42 HE1 MET 42 -0.417 -9.062 -14.410 350 2HE MET 42 HE2 MET 42 0.308 -10.457 -13.611 351 3HE MET 42 HE3 MET 42 0.951 -8.842 -13.319 352 H GLY 43 HN GLY 43 1.359 -12.738 -9.679 353 1HA GLY 43 HA2 GLY 43 1.546 -15.398 -8.709 354 2HA GLY 43 HA1 GLY 43 1.711 -15.367 -10.450 355 H GLU 44 HN GLU 44 2.789 -12.805 -8.376 356 HA GLU 44 HA GLU 44 5.503 -13.184 -9.372 357 1HB GLU 44 HB2 GLU 44 3.975 -10.940 -8.185 358 2HB GLU 44 HB1 GLU 44 5.702 -10.970 -7.860 359 1HG GLU 44 HG2 GLU 44 5.099 -9.617 -9.827 360 2HG GLU 44 HG1 GLU 44 6.204 -10.938 -10.203 361 H THR 45 HN THR 45 7.166 -12.298 -7.529 362 HA THR 45 HA THR 45 6.895 -14.252 -5.353 363 HB THR 45 HB THR 45 9.497 -13.001 -5.516 364 HG1 THR 45 HG1 THR 45 8.651 -14.318 -7.876 365 1HG2 THR 45 1HG2 THR 45 9.794 -15.032 -4.643 366 2HG2 THR 45 2HG2 THR 45 9.894 -15.547 -6.327 367 3HG2 THR 45 3HG2 THR 45 8.374 -15.701 -5.445 368 HA PRO 46 HA PRO 46 6.379 -11.414 -2.029 369 1HB PRO 46 HB2 PRO 46 8.809 -11.930 -0.646 370 2HB PRO 46 HB1 PRO 46 7.223 -12.631 -0.327 371 1HG PRO 46 HG2 PRO 46 9.498 -13.736 -1.880 372 2HG PRO 46 HG1 PRO 46 8.267 -14.582 -0.922 373 1HD PRO 46 HD2 PRO 46 8.186 -14.613 -3.586 374 2HD PRO 46 HD1 PRO 46 6.692 -14.480 -2.638 375 H GLU 47 HN GLU 47 9.389 -11.424 -3.819 376 HA GLU 47 HA GLU 47 10.013 -8.714 -2.920 377 1HB GLU 47 HB2 GLU 47 11.569 -10.959 -3.691 378 2HB GLU 47 HB1 GLU 47 11.884 -9.679 -4.853 379 1HG GLU 47 HG2 GLU 47 13.363 -8.910 -3.391 380 2HG GLU 47 HG1 GLU 47 11.980 -8.358 -2.448 381 H GLN 48 HN GLN 48 9.514 -10.489 -5.984 382 HA GLN 48 HA GLN 48 9.567 -8.051 -7.518 383 1HB GLN 48 HB2 GLN 48 8.646 -10.771 -8.444 384 2HB GLN 48 HB1 GLN 48 9.221 -9.439 -9.436 385 1HG GLN 48 HG2 GLN 48 11.222 -10.126 -7.513 386 2HG GLN 48 HG1 GLN 48 10.700 -11.576 -8.371 387 1HE2 GLN 48 1HE2 GLN 48 10.912 -11.642 -10.646 388 2HE2 GLN 48 2HE2 GLN 48 12.051 -10.633 -11.463 389 H ALA 49 HN ALA 49 7.178 -9.675 -5.734 390 HA ALA 49 HA ALA 49 4.892 -9.216 -7.288 391 1HB ALA 49 HB1 ALA 49 3.623 -9.600 -5.316 392 2HB ALA 49 HB2 ALA 49 4.982 -9.168 -4.279 393 3HB ALA 49 HB3 ALA 49 5.036 -10.649 -5.234 394 H VAL 50 HN VAL 50 6.268 -7.245 -4.660 395 HA VAL 50 HA VAL 50 4.434 -5.091 -5.163 396 HB VAL 50 HB VAL 50 5.303 -4.030 -3.308 397 1HG1 VAL 50 1HG1 VAL 50 4.797 -6.678 -3.041 398 2HG1 VAL 50 2HG1 VAL 50 5.110 -5.582 -1.695 399 3HG1 VAL 50 3HG1 VAL 50 6.415 -6.572 -2.347 400 1HG2 VAL 50 1HG2 VAL 50 7.567 -3.713 -4.121 401 2HG2 VAL 50 2HG2 VAL 50 7.944 -5.406 -3.799 402 3HG2 VAL 50 3HG2 VAL 50 7.601 -4.309 -2.461 403 H VAL 51 HN VAL 51 7.879 -5.673 -5.720 404 HA VAL 51 HA VAL 51 8.569 -3.186 -6.756 405 HB VAL 51 HB VAL 51 9.728 -5.856 -7.565 406 1HG1 VAL 51 1HG1 VAL 51 10.854 -4.556 -9.011 407 2HG1 VAL 51 2HG1 VAL 51 11.773 -4.062 -7.588 408 3HG1 VAL 51 3HG1 VAL 51 10.430 -3.071 -8.160 409 1HG2 VAL 51 1HG2 VAL 51 9.619 -5.284 -5.065 410 2HG2 VAL 51 2HG2 VAL 51 10.810 -4.040 -5.438 411 3HG2 VAL 51 3HG2 VAL 51 11.185 -5.736 -5.738 412 H ARG 52 HN ARG 52 7.083 -5.968 -8.303 413 HA ARG 52 HA ARG 52 7.303 -4.849 -10.929 414 1HB ARG 52 HB2 ARG 52 7.231 -7.305 -10.485 415 2HB ARG 52 HB1 ARG 52 5.547 -7.128 -10.009 416 1HG ARG 52 HG2 ARG 52 6.233 -6.036 -12.653 417 2HG ARG 52 HG1 ARG 52 6.360 -7.789 -12.490 418 1HD ARG 52 HD2 ARG 52 4.015 -7.565 -11.367 419 2HD ARG 52 HD1 ARG 52 3.964 -6.023 -12.219 420 HE ARG 52 HE ARG 52 3.683 -8.630 -13.358 421 1HH1 ARG 52 1HH1 ARG 52 4.745 -5.370 -14.006 422 2HH1 ARG 52 2HH1 ARG 52 4.489 -5.493 -15.714 423 1HH2 ARG 52 1HH2 ARG 52 3.347 -8.794 -15.604 424 2HH2 ARG 52 2HH2 ARG 52 3.695 -7.436 -16.621 425 H GLU 53 HN GLU 53 4.592 -5.418 -8.698 426 HA GLU 53 HA GLU 53 2.659 -4.127 -10.294 427 1HB GLU 53 HB2 GLU 53 2.753 -5.423 -7.740 428 2HB GLU 53 HB1 GLU 53 1.893 -3.900 -7.575 429 1HG GLU 53 HG2 GLU 53 1.256 -6.099 -9.529 430 2HG GLU 53 HG1 GLU 53 0.365 -5.711 -8.058 431 H LEU 54 HN LEU 54 5.083 -2.934 -8.133 432 HA LEU 54 HA LEU 54 4.035 -0.511 -7.310 433 1HB LEU 54 HB2 LEU 54 6.614 -1.716 -7.480 434 2HB LEU 54 HB1 LEU 54 6.741 -0.075 -8.076 435 HG LEU 54 HG LEU 54 6.112 0.856 -6.020 436 1HD1 LEU 54 1HD1 LEU 54 5.487 -0.999 -4.163 437 2HD1 LEU 54 2HD1 LEU 54 4.777 -1.734 -5.600 438 3HD1 LEU 54 3HD1 LEU 54 4.293 -0.111 -5.110 439 1HD2 LEU 54 1HD2 LEU 54 8.129 -1.191 -6.087 440 2HD2 LEU 54 2HD2 LEU 54 7.462 -1.023 -4.464 441 3HD2 LEU 54 3HD2 LEU 54 8.147 0.378 -5.286 442 H GLN 55 HN GLN 55 5.632 -1.319 -10.363 443 HA GLN 55 HA GLN 55 5.584 1.260 -11.480 444 1HB GLN 55 HB2 GLN 55 6.414 -1.278 -12.295 445 2HB GLN 55 HB1 GLN 55 5.151 -0.850 -13.441 446 1HG GLN 55 HG2 GLN 55 6.413 1.380 -13.669 447 2HG GLN 55 HG1 GLN 55 7.752 0.526 -12.907 448 1HE2 GLN 55 1HE2 GLN 55 5.325 -0.313 -15.360 449 2HE2 GLN 55 2HE2 GLN 55 6.460 -0.875 -16.535 450 H GLU 56 HN GLU 56 3.237 -1.326 -11.303 451 HA GLU 56 HA GLU 56 1.305 -0.045 -12.998 452 1HB GLU 56 HB2 GLU 56 1.657 -2.597 -12.285 453 2HB GLU 56 HB1 GLU 56 0.477 -2.143 -11.068 454 1HG GLU 56 HG2 GLU 56 -0.279 -1.242 -13.717 455 2HG GLU 56 HG1 GLU 56 -0.055 -2.988 -13.637 456 H GLU 57 HN GLU 57 2.089 0.022 -9.602 457 HA GLU 57 HA GLU 57 -0.445 1.412 -9.070 458 1HB GLU 57 HB2 GLU 57 1.462 0.003 -7.211 459 2HB GLU 57 HB1 GLU 57 0.096 0.963 -6.656 460 1HG GLU 57 HG2 GLU 57 -0.159 -1.389 -8.511 461 2HG GLU 57 HG1 GLU 57 -0.310 -1.498 -6.759 462 H VAL 58 HN VAL 58 2.505 2.297 -9.965 463 HA VAL 58 HA VAL 58 2.402 4.758 -8.366 464 HB VAL 58 HB VAL 58 5.008 3.423 -9.102 465 1HG1 VAL 58 1HG1 VAL 58 5.821 5.428 -8.585 466 2HG1 VAL 58 2HG1 VAL 58 5.348 5.104 -6.917 467 3HG1 VAL 58 3HG1 VAL 58 4.257 5.983 -7.988 468 1HG2 VAL 58 1HG2 VAL 58 3.957 3.491 -6.304 469 2HG2 VAL 58 2HG2 VAL 58 5.176 2.435 -7.018 470 3HG2 VAL 58 3HG2 VAL 58 3.471 2.194 -7.394 471 H GLY 59 HN GLY 59 3.686 3.125 -11.224 472 1HA GLY 59 HA2 GLY 59 4.025 3.830 -13.367 473 2HA GLY 59 HA1 GLY 59 2.820 5.055 -13.033 474 H ILE 60 HN ILE 60 5.369 5.458 -10.866 475 HA ILE 60 HA ILE 60 6.676 7.349 -12.689 476 HB ILE 60 HB ILE 60 7.123 8.317 -10.122 477 1HG1 ILE 60 2HG1 ILE 60 4.175 8.276 -10.274 478 2HG1 ILE 60 1HG1 ILE 60 4.949 6.796 -9.722 479 1HG2 ILE 60 1HG2 ILE 60 6.902 9.663 -12.111 480 2HG2 ILE 60 2HG2 ILE 60 5.775 10.228 -10.877 481 3HG2 ILE 60 3HG2 ILE 60 5.191 9.253 -12.226 482 1HD1 ILE 60 1HD1 ILE 60 6.275 8.485 -8.191 483 2HD1 ILE 60 2HD1 ILE 60 4.695 7.850 -7.731 484 3HD1 ILE 60 3HD1 ILE 60 4.826 9.459 -8.441 485 H THR 61 HN THR 61 8.714 8.174 -11.031 486 HA THR 61 HA THR 61 10.283 5.703 -10.709 487 HB THR 61 HB THR 61 11.492 6.788 -12.279 488 HG1 THR 61 HG1 THR 61 12.334 8.438 -10.158 489 1HG2 THR 61 1HG2 THR 61 11.644 9.322 -12.428 490 2HG2 THR 61 2HG2 THR 61 10.272 9.330 -11.321 491 3HG2 THR 61 3HG2 THR 61 10.125 8.557 -12.897 492 HA PRO 62 HA PRO 62 10.484 7.477 -6.529 493 1HB PRO 62 HB2 PRO 62 8.877 5.812 -5.278 494 2HB PRO 62 HB1 PRO 62 8.191 6.895 -6.497 495 1HG PRO 62 HG2 PRO 62 8.702 3.976 -6.638 496 2HG PRO 62 HG1 PRO 62 7.492 4.948 -7.493 497 1HD PRO 62 HD2 PRO 62 10.133 4.131 -8.400 498 2HD PRO 62 HD1 PRO 62 8.856 4.969 -9.296 499 H GLN 63 HN GLN 63 12.070 7.056 -5.063 500 HA GLN 63 HA GLN 63 13.420 4.498 -5.125 501 1HB GLN 63 HB2 GLN 63 13.706 6.690 -3.049 502 2HB GLN 63 HB1 GLN 63 14.849 5.399 -3.393 503 1HG GLN 63 HG2 GLN 63 15.402 6.364 -5.510 504 2HG GLN 63 HG1 GLN 63 14.127 7.571 -5.343 505 1HE2 GLN 63 1HE2 GLN 63 16.694 6.380 -3.197 506 2HE2 GLN 63 2HE2 GLN 63 17.366 7.934 -2.855 507 H HIS 64 HN HIS 64 11.521 3.326 -4.810 508 HA HIS 64 HA HIS 64 10.346 3.416 -2.123 509 1HB HIS 64 HB2 HIS 64 8.715 3.898 -3.776 510 2HB HIS 64 HB1 HIS 64 9.348 2.692 -4.843 511 HD1 HIS 64 HD1 HIS 64 6.335 3.013 -3.878 512 HD2 HIS 64 HD2 HIS 64 9.051 0.163 -2.549 513 HE1 HIS 64 HE1 HIS 64 4.947 1.094 -3.039 514 HE2 HIS 64 HE2 HIS 64 6.611 -0.578 -2.162 515 H PHE 65 HN PHE 65 10.490 1.682 -0.831 516 HA PHE 65 HA PHE 65 10.720 -0.980 -1.694 517 1HB PHE 65 HB2 PHE 65 13.014 0.357 -2.168 518 2HB PHE 65 HB1 PHE 65 13.307 -0.159 -0.518 519 HD1 PHE 65 HD1 PHE 65 14.908 -1.846 -0.690 520 HD2 PHE 65 HD2 PHE 65 11.518 -1.906 -3.262 521 HE1 PHE 65 HE1 PHE 65 15.587 -4.058 -1.531 522 HE2 PHE 65 HE2 PHE 65 12.191 -4.118 -4.103 523 HZ PHE 65 HZ PHE 65 14.226 -5.195 -3.241 524 H SER 66 HN SER 66 12.672 -1.526 0.555 525 HA SER 66 HA SER 66 12.568 -2.202 2.710 526 1HB SER 66 HB2 SER 66 11.671 0.632 2.722 527 2HB SER 66 HB1 SER 66 11.460 -0.292 4.209 528 HG SER 66 HG SER 66 13.576 0.890 3.685 529 H LEU 67 HN LEU 67 11.111 -2.482 4.670 530 HA LEU 67 HA LEU 67 8.325 -2.927 3.878 531 1HB LEU 67 HB2 LEU 67 9.324 -5.074 3.626 532 2HB LEU 67 HB1 LEU 67 10.196 -4.920 5.139 533 HG LEU 67 HG LEU 67 7.233 -4.839 5.287 534 1HD1 LEU 67 1HD1 LEU 67 6.988 -7.214 5.160 535 2HD1 LEU 67 2HD1 LEU 67 8.720 -7.430 4.908 536 3HD1 LEU 67 3HD1 LEU 67 7.738 -6.656 3.664 537 1HD2 LEU 67 1HD2 LEU 67 7.966 -4.813 7.408 538 2HD2 LEU 67 2HD2 LEU 67 9.541 -5.480 6.979 539 3HD2 LEU 67 3HD2 LEU 67 8.155 -6.552 7.183 540 H PHE 68 HN PHE 68 7.114 -1.762 5.213 541 HA PHE 68 HA PHE 68 8.080 -0.913 7.777 542 1HB PHE 68 HB2 PHE 68 6.716 0.761 7.125 543 2HB PHE 68 HB1 PHE 68 5.849 -0.271 5.997 544 HD1 PHE 68 HD1 PHE 68 3.833 -1.414 6.661 545 HD2 PHE 68 HD2 PHE 68 5.933 1.076 9.393 546 HE1 PHE 68 HE1 PHE 68 1.869 -1.395 8.139 547 HE2 PHE 68 HE2 PHE 68 3.973 1.101 10.880 548 HZ PHE 68 HZ PHE 68 1.936 -0.131 10.254 549 H GLU 69 HN GLU 69 5.305 -2.869 6.716 550 HA GLU 69 HA GLU 69 5.683 -4.863 8.674 551 1HB GLU 69 HB2 GLU 69 4.148 -2.549 9.498 552 2HB GLU 69 HB1 GLU 69 3.162 -4.005 9.538 553 1HG GLU 69 HG2 GLU 69 5.369 -4.926 10.745 554 2HG GLU 69 HG1 GLU 69 5.470 -3.224 11.197 555 H LYS 70 HN LYS 70 4.683 -6.669 7.989 556 HA LYS 70 HA LYS 70 2.592 -6.343 5.936 557 1HB LYS 70 HB2 LYS 70 3.339 -8.459 4.977 558 2HB LYS 70 HB1 LYS 70 4.672 -7.315 5.062 559 1HG LYS 70 HG2 LYS 70 5.460 -8.433 7.115 560 2HG LYS 70 HG1 LYS 70 4.166 -9.619 6.932 561 1HD LYS 70 HD2 LYS 70 5.078 -10.318 4.791 562 2HD LYS 70 HD1 LYS 70 6.338 -9.088 4.905 563 1HE LYS 70 HE2 LYS 70 6.305 -10.720 7.275 564 2HE LYS 70 HE1 LYS 70 6.436 -11.730 5.835 565 1HZ LYS 70 HZ1 LYS 70 8.195 -9.424 6.475 566 2HZ LYS 70 HZ2 LYS 70 8.336 -10.436 5.128 567 3HZ LYS 70 HZ3 LYS 70 8.606 -11.053 6.679 568 H LEU 71 HN LEU 71 0.663 -7.285 6.260 569 HA LEU 71 HA LEU 71 0.354 -8.951 8.660 570 1HB LEU 71 HB2 LEU 71 -0.931 -6.935 8.780 571 2HB LEU 71 HB1 LEU 71 -1.588 -7.189 7.174 572 HG LEU 71 HG LEU 71 -2.545 -9.391 8.280 573 1HD1 LEU 71 1HD1 LEU 71 -1.736 -9.373 10.433 574 2HD1 LEU 71 2HD1 LEU 71 -3.311 -8.608 10.645 575 3HD1 LEU 71 3HD1 LEU 71 -1.853 -7.619 10.577 576 1HD2 LEU 71 1HD2 LEU 71 -3.607 -6.592 8.424 577 2HD2 LEU 71 2HD2 LEU 71 -4.556 -7.965 8.994 578 3HD2 LEU 71 3HD2 LEU 71 -4.040 -7.887 7.309 579 H GLU 72 HN GLU 72 -0.659 -10.920 8.558 580 HA GLU 72 HA GLU 72 -1.537 -11.849 5.917 581 1HB GLU 72 HB2 GLU 72 0.551 -12.869 6.030 582 2HB GLU 72 HB1 GLU 72 0.468 -13.079 7.773 583 1HG GLU 72 HG2 GLU 72 -1.128 -14.865 7.522 584 2HG GLU 72 HG1 GLU 72 -1.177 -14.615 5.778 585 H TYR 73 HN TYR 73 -3.643 -12.199 6.130 586 HA TYR 73 HA TYR 73 -4.568 -13.918 8.306 587 1HB TYR 73 HB2 TYR 73 -6.509 -12.491 8.743 588 2HB TYR 73 HB1 TYR 73 -5.013 -11.616 9.051 589 HD1 TYR 73 HD1 TYR 73 -4.118 -10.369 6.791 590 HD2 TYR 73 HD2 TYR 73 -8.169 -11.284 7.715 591 HE1 TYR 73 HE1 TYR 73 -4.861 -8.570 5.290 592 HE2 TYR 73 HE2 TYR 73 -8.923 -9.488 6.215 593 HH TYR 73 HH TYR 73 -7.657 -7.166 5.343 594 H GLU 74 HN GLU 74 -6.142 -15.347 7.696 595 HA GLU 74 HA GLU 74 -6.947 -15.209 4.874 596 1HB GLU 74 HB2 GLU 74 -7.414 -17.676 5.151 597 2HB GLU 74 HB1 GLU 74 -5.724 -17.199 5.238 598 1HG GLU 74 HG2 GLU 74 -5.909 -17.247 7.717 599 2HG GLU 74 HG1 GLU 74 -7.537 -17.896 7.534 600 H PHE 75 HN PHE 75 -9.013 -15.357 4.250 601 HA PHE 75 HA PHE 75 -11.053 -15.099 6.340 602 1HB PHE 75 HB2 PHE 75 -10.613 -13.841 3.771 603 2HB PHE 75 HB1 PHE 75 -12.210 -14.574 3.832 604 HD1 PHE 75 HD1 PHE 75 -10.084 -12.741 6.295 605 HD2 PHE 75 HD2 PHE 75 -13.830 -13.026 4.295 606 HE1 PHE 75 HE1 PHE 75 -10.911 -10.811 7.578 607 HE2 PHE 75 HE2 PHE 75 -14.664 -11.096 5.573 608 HZ PHE 75 HZ PHE 75 -13.203 -9.986 7.217 609 HA PRO 76 HA PRO 76 -13.175 -18.899 5.689 610 1HB PRO 76 HB2 PRO 76 -15.594 -17.965 4.548 611 2HB PRO 76 HB1 PRO 76 -15.280 -18.304 6.251 612 1HG PRO 76 HG2 PRO 76 -15.237 -15.716 4.796 613 2HG PRO 76 HG1 PRO 76 -15.663 -16.055 6.483 614 1HD PRO 76 HD2 PRO 76 -13.334 -14.904 5.833 615 2HD PRO 76 HD1 PRO 76 -13.442 -16.067 7.168 616 H ASP 77 HN ASP 77 -11.609 -19.331 3.995 617 HA ASP 77 HA ASP 77 -11.279 -20.486 2.033 618 1HB ASP 77 HB2 ASP 77 -13.839 -19.351 0.918 619 2HB ASP 77 HB1 ASP 77 -12.965 -20.786 0.395 620 H ARG 78 HN ARG 78 -11.011 -17.419 2.659 621 HA ARG 78 HA ARG 78 -9.923 -16.795 0.012 622 1HB ARG 78 HB2 ARG 78 -12.248 -15.633 0.914 623 2HB ARG 78 HB1 ARG 78 -11.031 -14.456 1.386 624 1HG ARG 78 HG2 ARG 78 -10.224 -14.365 -0.920 625 2HG ARG 78 HG1 ARG 78 -11.452 -15.542 -1.391 626 1HD ARG 78 HD2 ARG 78 -13.196 -14.039 -1.056 627 2HD ARG 78 HD1 ARG 78 -12.223 -12.992 -0.023 628 HE ARG 78 HE ARG 78 -11.121 -13.057 -2.614 629 1HH1 ARG 78 1HH1 ARG 78 -13.876 -11.800 -0.882 630 2HH1 ARG 78 2HH1 ARG 78 -14.092 -10.453 -1.950 631 1HH2 ARG 78 1HH2 ARG 78 -11.401 -11.287 -4.019 632 2HH2 ARG 78 2HH2 ARG 78 -12.686 -10.162 -3.732 633 H HIS 79 HN HIS 79 -7.819 -17.066 0.681 634 HA HIS 79 HA HIS 79 -6.818 -15.923 3.105 635 1HB HIS 79 HB2 HIS 79 -5.910 -17.975 1.872 636 2HB HIS 79 HB1 HIS 79 -5.144 -16.836 0.771 637 HD1 HIS 79 HD1 HIS 79 -3.103 -18.394 2.018 638 HD2 HIS 79 HD2 HIS 79 -4.799 -15.206 4.072 639 HE1 HIS 79 HE1 HIS 79 -1.439 -17.782 3.802 640 HE2 HIS 79 HE2 HIS 79 -2.531 -15.915 5.092 641 H ILE 80 HN ILE 80 -7.030 -13.725 3.171 642 HA ILE 80 HA ILE 80 -6.066 -12.138 0.926 643 HB ILE 80 HB ILE 80 -8.147 -11.358 1.730 644 1HG1 ILE 80 2HG1 ILE 80 -6.347 -9.486 3.205 645 2HG1 ILE 80 1HG1 ILE 80 -6.130 -9.695 1.472 646 1HG2 ILE 80 1HG2 ILE 80 -8.348 -12.425 3.829 647 2HG2 ILE 80 2HG2 ILE 80 -8.439 -10.693 4.147 648 3HG2 ILE 80 3HG2 ILE 80 -6.947 -11.572 4.479 649 1HD1 ILE 80 1HD1 ILE 80 -7.566 -7.769 2.126 650 2HD1 ILE 80 2HD1 ILE 80 -8.741 -8.928 2.746 651 3HD1 ILE 80 3HD1 ILE 80 -8.335 -8.916 1.030 652 H THR 81 HN THR 81 -3.968 -11.702 0.889 653 HA THR 81 HA THR 81 -2.541 -11.305 3.431 654 HB THR 81 HB THR 81 -0.898 -11.510 1.019 655 HG1 THR 81 HG1 THR 81 -2.489 -12.917 0.326 656 1HG2 THR 81 1HG2 THR 81 0.142 -11.768 3.140 657 2HG2 THR 81 2HG2 THR 81 0.177 -13.330 2.321 658 3HG2 THR 81 3HG2 THR 81 -0.995 -13.034 3.605 659 H LEU 82 HN LEU 82 -1.753 -9.341 3.935 660 HA LEU 82 HA LEU 82 -1.583 -7.334 1.783 661 1HB LEU 82 HB2 LEU 82 -2.878 -7.166 4.462 662 2HB LEU 82 HB1 LEU 82 -2.126 -5.725 3.804 663 HG LEU 82 HG LEU 82 -4.139 -7.276 2.205 664 1HD1 LEU 82 1HD1 LEU 82 -5.541 -5.160 3.207 665 2HD1 LEU 82 2HD1 LEU 82 -4.601 -5.675 4.608 666 3HD1 LEU 82 3HD1 LEU 82 -5.656 -6.823 3.785 667 1HD2 LEU 82 1HD2 LEU 82 -3.508 -4.335 2.203 668 2HD2 LEU 82 2HD2 LEU 82 -4.385 -5.267 0.987 669 3HD2 LEU 82 3HD2 LEU 82 -2.649 -5.500 1.195 670 H TRP 83 HN TRP 83 0.477 -6.758 1.500 671 HA TRP 83 HA TRP 83 2.243 -6.678 3.859 672 1HB TRP 83 HB2 TRP 83 3.432 -6.576 1.138 673 2HB TRP 83 HB1 TRP 83 4.032 -7.348 2.596 674 HD1 TRP 83 HD1 TRP 83 1.143 -9.112 2.814 675 HE1 TRP 83 HE1 TRP 83 1.018 -11.213 1.339 676 HE3 TRP 83 HE3 TRP 83 4.822 -7.966 -0.540 677 HZ2 TRP 83 HZ2 TRP 83 2.310 -12.252 -0.942 678 HZ3 TRP 83 HZ3 TRP 83 5.318 -9.570 -2.339 679 HH2 TRP 83 HH2 TRP 83 4.087 -11.669 -2.534 680 H PHE 84 HN PHE 84 2.849 -4.720 4.555 681 HA PHE 84 HA PHE 84 2.511 -2.448 2.727 682 1HB PHE 84 HB2 PHE 84 2.646 -2.539 5.742 683 2HB PHE 84 HB1 PHE 84 2.609 -1.048 4.817 684 HD1 PHE 84 HD1 PHE 84 0.613 -1.020 6.662 685 HD2 PHE 84 HD2 PHE 84 0.624 -3.227 3.016 686 HE1 PHE 84 HE1 PHE 84 -1.843 -1.084 6.691 687 HE2 PHE 84 HE2 PHE 84 -1.831 -3.290 3.045 688 HZ PHE 84 HZ PHE 84 -3.068 -2.217 4.883 689 H TRP 85 HN TRP 85 4.300 -1.823 1.728 690 HA TRP 85 HA TRP 85 6.906 -2.284 2.954 691 1HB TRP 85 HB2 TRP 85 6.066 -1.538 0.157 692 2HB TRP 85 HB1 TRP 85 7.751 -1.560 0.670 693 HD1 TRP 85 HD1 TRP 85 4.822 -4.102 1.004 694 HE1 TRP 85 HE1 TRP 85 5.716 -6.420 0.335 695 HE3 TRP 85 HE3 TRP 85 9.646 -2.822 -0.108 696 HZ2 TRP 85 HZ2 TRP 85 8.145 -7.557 -0.546 697 HZ3 TRP 85 HZ3 TRP 85 11.190 -4.585 -0.856 698 HH2 TRP 85 HH2 TRP 85 10.454 -6.903 -1.070 699 H LEU 86 HN LEU 86 8.484 -0.654 3.217 700 HA LEU 86 HA LEU 86 7.329 1.972 3.719 701 1HB LEU 86 HB2 LEU 86 8.876 0.628 5.297 702 2HB LEU 86 HB1 LEU 86 10.172 1.213 4.272 703 HG LEU 86 HG LEU 86 9.834 2.573 6.320 704 1HD1 LEU 86 1HD1 LEU 86 10.026 4.701 5.244 705 2HD1 LEU 86 2HD1 LEU 86 9.212 4.100 3.800 706 3HD1 LEU 86 3HD1 LEU 86 10.813 3.497 4.225 707 1HD2 LEU 86 1HD2 LEU 86 7.436 3.870 5.213 708 2HD2 LEU 86 2HD2 LEU 86 7.879 3.537 6.887 709 3HD2 LEU 86 3HD2 LEU 86 7.189 2.260 5.887 710 H VAL 87 HN VAL 87 7.192 3.159 1.938 711 HA VAL 87 HA VAL 87 9.313 3.240 -0.060 712 HB VAL 87 HB VAL 87 6.791 4.852 0.042 713 1HG1 VAL 87 1HG1 VAL 87 7.318 4.403 -2.572 714 2HG1 VAL 87 2HG1 VAL 87 8.945 4.505 -1.902 715 3HG1 VAL 87 3HG1 VAL 87 7.817 5.839 -1.682 716 1HG2 VAL 87 1HG2 VAL 87 7.278 2.072 -0.985 717 2HG2 VAL 87 2HG2 VAL 87 5.918 3.062 -1.530 718 3HG2 VAL 87 3HG2 VAL 87 6.058 2.614 0.169 719 H GLU 88 HN GLU 88 10.574 5.095 -0.529 720 HA GLU 88 HA GLU 88 10.277 7.171 1.536 721 1HB GLU 88 HB2 GLU 88 12.772 7.503 1.370 722 2HB GLU 88 HB1 GLU 88 12.222 6.014 2.123 723 1HG GLU 88 HG2 GLU 88 12.996 6.150 -0.769 724 2HG GLU 88 HG1 GLU 88 14.171 5.861 0.510 725 H ARG 89 HN ARG 89 10.350 6.804 -1.910 726 HA ARG 89 HA ARG 89 10.151 9.674 -2.142 727 1HB ARG 89 HB2 ARG 89 12.283 8.687 -3.940 728 2HB ARG 89 HB1 ARG 89 12.090 10.253 -3.178 729 1HG ARG 89 HG2 ARG 89 12.829 7.963 -1.443 730 2HG ARG 89 HG1 ARG 89 14.042 8.595 -2.546 731 1HD ARG 89 HD2 ARG 89 14.211 10.580 -1.459 732 2HD ARG 89 HD1 ARG 89 12.523 10.572 -0.953 733 HE ARG 89 HE ARG 89 13.137 9.501 0.979 734 1HH1 ARG 89 1HH1 ARG 89 15.784 9.363 -1.292 735 2HH1 ARG 89 2HH1 ARG 89 16.907 8.730 -0.135 736 1HH2 ARG 89 1HH2 ARG 89 14.612 8.667 2.501 737 2HH2 ARG 89 2HH2 ARG 89 16.242 8.334 2.017 738 H TRP 90 HN TRP 90 9.692 10.423 -4.317 739 HA TRP 90 HA TRP 90 9.156 8.534 -6.392 740 1HB TRP 90 HB2 TRP 90 6.889 8.383 -6.374 741 2HB TRP 90 HB1 TRP 90 7.174 8.540 -4.651 742 HD1 TRP 90 HD1 TRP 90 6.359 10.935 -7.611 743 HE1 TRP 90 HE1 TRP 90 4.709 12.706 -6.735 744 HE3 TRP 90 HE3 TRP 90 6.126 9.472 -2.721 745 HZ2 TRP 90 HZ2 TRP 90 3.462 13.382 -4.297 746 HZ3 TRP 90 HZ3 TRP 90 4.669 10.725 -1.185 747 HH2 TRP 90 HH2 TRP 90 3.368 12.642 -1.956 748 H GLU 91 HN GLU 91 9.671 9.500 -8.271 749 HA GLU 91 HA GLU 91 9.919 12.387 -8.282 750 1HB GLU 91 HB2 GLU 91 11.078 10.206 -9.720 751 2HB GLU 91 HB1 GLU 91 10.378 11.329 -10.876 752 1HG GLU 91 HG2 GLU 91 12.431 11.936 -8.765 753 2HG GLU 91 HG1 GLU 91 12.666 11.912 -10.512 754 H GLY 92 HN GLY 92 8.324 13.708 -8.804 755 1HA GLY 92 HA2 GLY 92 6.720 14.599 -10.286 756 2HA GLY 92 HA1 GLY 92 6.546 13.011 -11.017 757 H GLU 93 HN GLU 93 4.555 12.279 -10.743 758 HA GLU 93 HA GLU 93 3.313 12.575 -8.093 759 1HB GLU 93 HB2 GLU 93 2.135 13.080 -10.804 760 2HB GLU 93 HB1 GLU 93 1.103 12.588 -9.468 761 1HG GLU 93 HG2 GLU 93 2.424 14.584 -8.278 762 2HG GLU 93 HG1 GLU 93 2.501 15.141 -9.949 763 HA PRO 94 HA PRO 94 2.901 8.153 -8.519 764 1HB PRO 94 HB2 PRO 94 1.143 8.132 -6.220 765 2HB PRO 94 HB1 PRO 94 2.825 7.612 -6.319 766 1HG PRO 94 HG2 PRO 94 2.014 9.795 -4.904 767 2HG PRO 94 HG1 PRO 94 3.629 9.636 -5.615 768 1HD PRO 94 HD2 PRO 94 1.238 11.120 -6.655 769 2HD PRO 94 HD1 PRO 94 2.941 11.622 -6.610 770 H TRP 95 HN TRP 95 1.559 7.038 -9.810 771 HA TRP 95 HA TRP 95 -1.303 7.537 -9.555 772 1HB TRP 95 HB2 TRP 95 -1.477 7.508 -12.093 773 2HB TRP 95 HB1 TRP 95 -0.823 8.968 -11.365 774 HD1 TRP 95 HD1 TRP 95 1.723 9.523 -11.826 775 HE1 TRP 95 HE1 TRP 95 3.382 8.738 -13.632 776 HE3 TRP 95 HE3 TRP 95 -0.759 5.365 -13.409 777 HZ2 TRP 95 HZ2 TRP 95 3.586 6.627 -15.498 778 HZ3 TRP 95 HZ3 TRP 95 0.225 4.016 -15.215 779 HH2 TRP 95 HH2 TRP 95 2.359 4.629 -16.229 780 H GLY 96 HN GLY 96 1.014 5.660 -11.495 781 1HA GLY 96 HA2 GLY 96 0.941 3.458 -12.197 782 2HA GLY 96 HA1 GLY 96 0.432 3.141 -10.549 783 H LYS 97 HN LYS 97 -1.730 2.789 -10.089 784 HA LYS 97 HA LYS 97 -3.839 3.181 -11.926 785 1HB LYS 97 HB2 LYS 97 -2.438 0.561 -11.990 786 2HB LYS 97 HB1 LYS 97 -4.194 0.527 -12.030 787 1HG LYS 97 HG2 LYS 97 -3.411 2.483 -13.884 788 2HG LYS 97 HG1 LYS 97 -2.340 1.102 -14.133 789 1HD LYS 97 HD2 LYS 97 -4.222 0.751 -15.531 790 2HD LYS 97 HD1 LYS 97 -4.410 -0.344 -14.160 791 1HE LYS 97 HE2 LYS 97 -5.687 1.901 -13.273 792 2HE LYS 97 HE1 LYS 97 -6.052 1.933 -14.998 793 1HZ LYS 97 HZ1 LYS 97 -7.748 0.648 -14.196 794 2HZ LYS 97 HZ2 LYS 97 -6.811 -0.055 -12.976 795 3HZ LYS 97 HZ3 LYS 97 -6.623 -0.557 -14.581 796 H GLU 98 HN GLU 98 -3.239 3.584 -9.136 797 HA GLU 98 HA GLU 98 -4.511 1.712 -7.467 798 1HB GLU 98 HB2 GLU 98 -4.593 3.528 -5.813 799 2HB GLU 98 HB1 GLU 98 -3.022 3.440 -6.597 800 1HG GLU 98 HG2 GLU 98 -3.674 5.298 -8.068 801 2HG GLU 98 HG1 GLU 98 -5.211 5.410 -7.212 802 H GLY 99 HN GLY 99 -5.740 4.669 -9.025 803 1HA GLY 99 HA2 GLY 99 -7.929 4.801 -9.946 804 2HA GLY 99 HA1 GLY 99 -8.439 3.534 -8.844 805 H GLN 100 HN GLN 100 -7.037 4.999 -6.592 806 HA GLN 100 HA GLN 100 -9.147 7.015 -6.179 807 1HB GLN 100 HB2 GLN 100 -8.351 6.539 -3.668 808 2HB GLN 100 HB1 GLN 100 -9.608 5.603 -4.461 809 1HG GLN 100 HG2 GLN 100 -7.938 3.905 -5.065 810 2HG GLN 100 HG1 GLN 100 -6.709 4.836 -4.211 811 1HE2 GLN 100 1HE2 GLN 100 -6.568 2.675 -3.120 812 2HE2 GLN 100 2HE2 GLN 100 -7.559 2.431 -1.727 813 HA PRO 101 HA PRO 101 -5.584 9.810 -6.763 814 1HB PRO 101 HB2 PRO 101 -7.939 11.489 -5.964 815 2HB PRO 101 HB1 PRO 101 -6.682 11.833 -7.161 816 1HG PRO 101 HG2 PRO 101 -9.046 10.981 -7.962 817 2HG PRO 101 HG1 PRO 101 -7.576 10.319 -8.702 818 1HD PRO 101 HD2 PRO 101 -9.432 9.072 -6.738 819 2HD PRO 101 HD1 PRO 101 -8.479 8.317 -8.030 820 H GLY 102 HN GLY 102 -4.268 10.845 -5.305 821 1HA GLY 102 HA2 GLY 102 -5.222 11.067 -2.523 822 2HA GLY 102 HA1 GLY 102 -3.697 10.273 -2.878 823 H GLU 103 HN GLU 103 -3.406 12.189 -1.168 824 HA GLU 103 HA GLU 103 -2.119 14.338 -2.685 825 1HB GLU 103 HB2 GLU 103 -4.483 14.924 -1.668 826 2HB GLU 103 HB1 GLU 103 -3.571 15.063 -0.171 827 1HG GLU 103 HG2 GLU 103 -3.561 17.222 -0.958 828 2HG GLU 103 HG1 GLU 103 -2.017 16.607 -1.544 829 H TRP 104 HN TRP 104 -0.379 15.391 -1.506 830 HA TRP 104 HA TRP 104 1.104 13.570 0.087 831 1HB TRP 104 HB2 TRP 104 1.710 16.517 0.057 832 2HB TRP 104 HB1 TRP 104 2.830 15.163 0.060 833 HD1 TRP 104 HD1 TRP 104 1.288 13.732 -2.516 834 HE1 TRP 104 HE1 TRP 104 1.826 14.675 -4.850 835 HE3 TRP 104 HE3 TRP 104 3.099 18.312 -1.144 836 HZ2 TRP 104 HZ2 TRP 104 2.880 17.046 -5.961 837 HZ3 TRP 104 HZ3 TRP 104 3.851 19.858 -2.903 838 HH2 TRP 104 HH2 TRP 104 3.745 19.236 -5.262 839 H MET 105 HN MET 105 0.369 13.002 2.044 840 HA MET 105 HA MET 105 -0.355 15.159 3.915 841 1HB MET 105 HB2 MET 105 -1.983 13.766 4.948 842 2HB MET 105 HB1 MET 105 -2.275 13.703 3.217 843 1HG MET 105 HG2 MET 105 -1.852 11.510 3.094 844 2HG MET 105 HG1 MET 105 -0.508 11.596 4.232 845 1HE MET 105 HE1 MET 105 -1.091 12.638 6.516 846 2HE MET 105 HE2 MET 105 -1.731 11.367 7.557 847 3HE MET 105 HE3 MET 105 -2.737 12.754 7.136 848 H SER 106 HN SER 106 0.200 14.852 6.138 849 HA SER 106 HA SER 106 2.758 13.616 6.486 850 1HB SER 106 HB2 SER 106 2.349 14.334 8.931 851 2HB SER 106 HB1 SER 106 2.477 15.603 7.712 852 HG SER 106 HG SER 106 0.037 14.502 8.658 853 H LEU 107 HN LEU 107 3.044 11.517 6.805 854 HA LEU 107 HA LEU 107 1.019 9.692 7.461 855 1HB LEU 107 HB2 LEU 107 3.321 9.292 6.367 856 2HB LEU 107 HB1 LEU 107 3.930 9.195 8.006 857 HG LEU 107 HG LEU 107 3.421 6.990 6.906 858 1HD1 LEU 107 1HD1 LEU 107 1.642 7.076 9.248 859 2HD1 LEU 107 2HD1 LEU 107 3.263 7.726 9.494 860 3HD1 LEU 107 3HD1 LEU 107 3.054 6.070 8.925 861 1HD2 LEU 107 1HD2 LEU 107 1.080 8.178 6.158 862 2HD2 LEU 107 2HD2 LEU 107 0.571 7.201 7.535 863 3HD2 LEU 107 3HD2 LEU 107 1.381 6.441 6.165 864 H VAL 108 HN VAL 108 3.034 11.680 9.438 865 HA VAL 108 HA VAL 108 3.085 10.288 11.836 866 HB VAL 108 HB VAL 108 2.755 13.277 11.589 867 1HG1 VAL 108 1HG1 VAL 108 4.106 11.577 13.682 868 2HG1 VAL 108 2HG1 VAL 108 2.559 12.403 13.860 869 3HG1 VAL 108 3HG1 VAL 108 4.040 13.339 13.665 870 1HG2 VAL 108 1HG2 VAL 108 4.536 12.861 10.153 871 2HG2 VAL 108 2HG2 VAL 108 5.132 11.514 11.124 872 3HG2 VAL 108 3HG2 VAL 108 5.333 13.170 11.696 873 H GLY 109 HN GLY 109 0.395 11.725 10.236 874 1HA GLY 109 HA2 GLY 109 -1.202 11.509 12.706 875 2HA GLY 109 HA1 GLY 109 -1.585 12.582 11.373 876 H LEU 110 HN LEU 110 -0.584 9.216 11.046 877 HA LEU 110 HA LEU 110 -2.709 8.574 9.309 878 1HB LEU 110 HB2 LEU 110 -0.398 7.415 9.735 879 2HB LEU 110 HB1 LEU 110 -1.289 6.495 10.930 880 HG LEU 110 HG LEU 110 -2.740 5.577 9.245 881 1HD1 LEU 110 1HD1 LEU 110 -1.459 7.634 7.497 882 2HD1 LEU 110 2HD1 LEU 110 -3.165 7.240 7.701 883 3HD1 LEU 110 3HD1 LEU 110 -2.113 6.154 6.794 884 1HD2 LEU 110 1HD2 LEU 110 -0.716 4.358 9.505 885 2HD2 LEU 110 2HD2 LEU 110 0.177 5.504 8.505 886 3HD2 LEU 110 3HD2 LEU 110 -1.039 4.457 7.774 887 H ASN 111 HN ASN 111 -4.762 7.921 9.698 888 HA ASN 111 HA ASN 111 -5.451 7.244 12.476 889 1HB ASN 111 HB2 ASN 111 -6.399 9.375 10.838 890 2HB ASN 111 HB1 ASN 111 -7.737 8.280 11.158 891 1HD2 ASN 111 1HD2 ASN 111 -5.001 9.716 12.908 892 2HD2 ASN 111 2HD2 ASN 111 -5.904 10.129 14.322 893 H ALA 112 HN ALA 112 -6.682 5.529 12.876 894 HA ALA 112 HA ALA 112 -7.130 3.622 10.803 895 1HB ALA 112 HB1 ALA 112 -7.796 2.136 12.482 896 2HB ALA 112 HB2 ALA 112 -8.324 3.438 13.551 897 3HB ALA 112 HB3 ALA 112 -6.604 3.167 13.274 898 H ASP 113 HN ASP 113 -8.902 6.265 12.005 899 HA ASP 113 HA ASP 113 -11.530 5.241 11.463 900 1HB ASP 113 HB2 ASP 113 -10.909 7.073 13.143 901 2HB ASP 113 HB1 ASP 113 -10.800 8.149 11.753 902 H ASP 114 HN ASP 114 -9.387 7.600 9.873 903 HA ASP 114 HA ASP 114 -11.138 8.108 7.706 904 1HB ASP 114 HB2 ASP 114 -8.508 8.616 6.819 905 2HB ASP 114 HB1 ASP 114 -9.692 9.777 7.394 906 H PHE 115 HN PHE 115 -8.560 5.780 8.198 907 HA PHE 115 HA PHE 115 -8.615 4.888 5.452 908 1HB PHE 115 HB2 PHE 115 -6.680 3.812 5.953 909 2HB PHE 115 HB1 PHE 115 -6.702 4.826 7.397 910 HD1 PHE 115 HD1 PHE 115 -5.822 1.746 6.527 911 HD2 PHE 115 HD2 PHE 115 -8.655 3.620 9.065 912 HE1 PHE 115 HE1 PHE 115 -5.891 -0.263 7.932 913 HE2 PHE 115 HE2 PHE 115 -8.729 1.616 10.489 914 HZ PHE 115 HZ PHE 115 -7.349 -0.330 9.914 915 HA PRO 116 HA PRO 116 -11.485 1.539 5.887 916 1HB PRO 116 HB2 PRO 116 -10.301 -0.610 4.765 917 2HB PRO 116 HB1 PRO 116 -10.814 0.785 3.810 918 1HG PRO 116 HG2 PRO 116 -8.086 0.067 4.803 919 2HG PRO 116 HG1 PRO 116 -8.570 0.709 3.223 920 1HD PRO 116 HD2 PRO 116 -7.508 2.242 5.218 921 2HD PRO 116 HD1 PRO 116 -8.608 2.873 3.979 922 HA PRO 117 HA PRO 117 -10.412 -0.273 9.857 923 1HB PRO 117 HB2 PRO 117 -12.674 -1.846 10.051 924 2HB PRO 117 HB1 PRO 117 -12.578 -0.149 10.530 925 1HG PRO 117 HG2 PRO 117 -13.620 -1.349 7.998 926 2HG PRO 117 HG1 PRO 117 -14.271 -0.004 8.955 927 1HD PRO 117 HD2 PRO 117 -12.891 0.429 6.703 928 2HD PRO 117 HD1 PRO 117 -12.731 1.509 8.103 929 H ALA 118 HN ALA 118 -10.895 -1.982 6.909 930 HA ALA 118 HA ALA 118 -10.590 -4.628 7.817 931 1HB ALA 118 HB1 ALA 118 -9.641 -3.714 5.130 932 2HB ALA 118 HB2 ALA 118 -11.359 -3.763 5.526 933 3HB ALA 118 HB3 ALA 118 -10.397 -5.241 5.584 934 H ASN 119 HN ASN 119 -8.321 -2.119 7.837 935 HA ASN 119 HA ASN 119 -6.146 -4.081 8.103 936 1HB ASN 119 HB2 ASN 119 -6.396 -1.968 6.154 937 2HB ASN 119 HB1 ASN 119 -4.980 -1.689 7.161 938 1HD2 ASN 119 1HD2 ASN 119 -4.271 -4.322 7.694 939 2HD2 ASN 119 2HD2 ASN 119 -3.729 -5.058 6.230 940 H GLU 120 HN GLU 120 -7.631 -3.055 10.253 941 HA GLU 120 HA GLU 120 -6.329 -0.798 11.418 942 1HB GLU 120 HB2 GLU 120 -8.634 -2.325 11.957 943 2HB GLU 120 HB1 GLU 120 -7.631 -2.418 13.396 944 1HG GLU 120 HG2 GLU 120 -8.176 0.213 12.091 945 2HG GLU 120 HG1 GLU 120 -9.355 -0.518 13.179 946 HA PRO 121 HA PRO 121 -4.382 -4.421 14.235 947 1HB PRO 121 HB2 PRO 121 -3.836 -6.127 11.844 948 2HB PRO 121 HB1 PRO 121 -4.134 -6.604 13.519 949 1HG PRO 121 HG2 PRO 121 -6.047 -6.844 11.686 950 2HG PRO 121 HG1 PRO 121 -6.429 -6.314 13.334 951 1HD PRO 121 HD2 PRO 121 -6.300 -4.731 10.817 952 2HD PRO 121 HD1 PRO 121 -7.332 -4.506 12.244 953 H VAL 122 HN VAL 122 -3.434 -3.832 10.866 954 HA VAL 122 HA VAL 122 -0.629 -3.758 11.463 955 HB VAL 122 HB VAL 122 -1.795 -2.583 8.965 956 1HG1 VAL 122 1HG1 VAL 122 0.687 -4.191 9.553 957 2HG1 VAL 122 2HG1 VAL 122 0.603 -2.453 9.264 958 3HG1 VAL 122 3HG1 VAL 122 0.220 -3.582 7.965 959 1HG2 VAL 122 1HG2 VAL 122 -1.712 -5.487 9.715 960 2HG2 VAL 122 2HG2 VAL 122 -1.677 -4.956 8.033 961 3HG2 VAL 122 3HG2 VAL 122 -3.055 -4.555 9.058 962 H ILE 123 HN ILE 123 -3.034 -1.320 10.500 963 HA ILE 123 HA ILE 123 -1.290 0.885 10.726 964 HB ILE 123 HB ILE 123 -4.295 0.681 10.738 965 1HG1 ILE 123 2HG1 ILE 123 -2.642 0.335 8.683 966 2HG1 ILE 123 1HG1 ILE 123 -4.185 1.157 8.495 967 1HG2 ILE 123 1HG2 ILE 123 -4.308 3.154 10.441 968 2HG2 ILE 123 2HG2 ILE 123 -2.598 3.166 10.871 969 3HG2 ILE 123 3HG2 ILE 123 -3.799 2.629 12.046 970 1HD1 ILE 123 1HD1 ILE 123 -2.384 2.331 7.353 971 2HD1 ILE 123 2HD1 ILE 123 -1.525 2.503 8.886 972 3HD1 ILE 123 3HD1 ILE 123 -3.079 3.309 8.649 973 H ALA 124 HN ALA 124 -3.248 -0.835 13.046 974 HA ALA 124 HA ALA 124 -3.428 1.052 15.082 975 1HB ALA 124 HB1 ALA 124 -4.689 -0.858 15.440 976 2HB ALA 124 HB2 ALA 124 -3.367 -1.060 16.588 977 3HB ALA 124 HB3 ALA 124 -3.348 -1.939 15.059 978 H LYS 125 HN LYS 125 -0.762 -0.953 14.055 979 HA LYS 125 HA LYS 125 0.865 -0.538 16.360 980 1HB LYS 125 HB2 LYS 125 1.084 -1.893 13.805 981 2HB LYS 125 HB1 LYS 125 2.578 -1.064 14.218 982 1HG LYS 125 HG2 LYS 125 2.960 -3.071 15.212 983 2HG LYS 125 HG1 LYS 125 2.176 -2.226 16.549 984 1HD LYS 125 HD2 LYS 125 0.366 -3.621 14.690 985 2HD LYS 125 HD1 LYS 125 1.425 -4.662 15.643 986 1HE LYS 125 HE2 LYS 125 0.621 -3.105 17.611 987 2HE LYS 125 HE1 LYS 125 -0.748 -2.829 16.533 988 1HZ LYS 125 HZ1 LYS 125 -0.663 -4.821 18.263 989 2HZ LYS 125 HZ2 LYS 125 0.054 -5.599 16.943 990 3HZ LYS 125 HZ3 LYS 125 -1.492 -4.931 16.792 991 H LEU 126 HN LEU 126 0.870 0.914 13.109 992 HA LEU 126 HA LEU 126 2.904 2.817 13.800 993 1HB LEU 126 HB2 LEU 126 2.218 1.780 11.471 994 2HB LEU 126 HB1 LEU 126 1.139 3.162 11.422 995 HG LEU 126 HG LEU 126 3.301 3.528 10.250 996 1HD1 LEU 126 1HD1 LEU 126 1.847 5.309 11.477 997 2HD1 LEU 126 2HD1 LEU 126 3.442 5.740 10.860 998 3HD1 LEU 126 3HD1 LEU 126 3.224 5.394 12.576 999 1HD2 LEU 126 1HD2 LEU 126 5.301 3.243 11.216 1000 2HD2 LEU 126 2HD2 LEU 126 4.424 2.280 12.404 1001 3HD2 LEU 126 3HD2 LEU 126 4.780 3.975 12.734 1002 H LYS 127 HN LYS 127 -0.559 2.730 13.855 1003 HA LYS 127 HA LYS 127 -1.177 5.447 13.745 1004 1HB LYS 127 HB2 LYS 127 -2.809 3.601 13.690 1005 2HB LYS 127 HB1 LYS 127 -2.540 3.321 15.399 1006 1HG LYS 127 HG2 LYS 127 -3.352 5.581 15.886 1007 2HG LYS 127 HG1 LYS 127 -3.663 5.828 14.166 1008 1HD LYS 127 HD2 LYS 127 -5.537 4.572 14.196 1009 2HD LYS 127 HD1 LYS 127 -4.853 3.398 15.322 1010 1HE LYS 127 HE2 LYS 127 -5.256 4.891 17.180 1011 2HE LYS 127 HE1 LYS 127 -5.828 6.148 16.084 1012 1HZ LYS 127 HZ1 LYS 127 -7.483 4.559 17.330 1013 2HZ LYS 127 HZ2 LYS 127 -7.169 3.548 16.011 1014 3HZ LYS 127 HZ3 LYS 127 -7.802 5.095 15.756 1015 H ARG 128 HN ARG 128 -0.266 3.401 16.474 1016 HA ARG 128 HA ARG 128 -0.545 5.438 18.440 1017 1HB ARG 128 HB2 ARG 128 -0.585 3.089 19.071 1018 2HB ARG 128 HB1 ARG 128 1.044 2.865 18.452 1019 1HG ARG 128 HG2 ARG 128 1.974 4.201 20.184 1020 2HG ARG 128 HG1 ARG 128 0.378 4.737 20.708 1021 1HD ARG 128 HD2 ARG 128 1.472 1.931 20.865 1022 2HD ARG 128 HD1 ARG 128 1.232 3.039 22.215 1023 HE ARG 128 HE ARG 128 -1.237 2.850 21.140 1024 1HH1 ARG 128 1HH1 ARG 128 1.094 0.466 22.169 1025 2HH1 ARG 128 2HH1 ARG 128 -0.107 -0.703 22.602 1026 1HH2 ARG 128 1HH2 ARG 128 -2.819 1.313 21.709 1027 2HH2 ARG 128 2HH2 ARG 128 -2.328 -0.223 22.341 1028 H LEU 129 HN LEU 129 1.604 5.019 15.918 1029 HA LEU 129 HA LEU 129 3.601 5.956 15.348 1030 1HB LEU 129 HB2 LEU 129 2.332 7.895 17.189 1031 2HB LEU 129 HB1 LEU 129 4.042 8.130 16.883 1032 HG LEU 129 HG LEU 129 3.680 8.458 14.554 1033 1HD1 LEU 129 1HD1 LEU 129 1.185 7.032 15.085 1034 2HD1 LEU 129 2HD1 LEU 129 2.145 7.135 13.610 1035 3HD1 LEU 129 3HD1 LEU 129 1.005 8.418 14.011 1036 1HD2 LEU 129 1HD2 LEU 129 2.628 10.490 14.611 1037 2HD2 LEU 129 2HD2 LEU 129 2.905 10.233 16.334 1038 3HD2 LEU 129 3HD2 LEU 129 1.317 9.909 15.637 1039 1HO1 MO2 130 1HO1 MO2 130 -2.105 -4.986 -11.730 1040 2HO1 MO2 130 2HO1 MO2 130 -5.050 -2.415 -11.314 1041 1HO2 MO2 130 1HO2 MO2 130 -3.604 -5.142 -11.595 1042 2HO2 MO2 130 2HO2 MO2 130 -5.520 -2.277 -9.885 1043 1H5* 8OG 131 1H5* ODG 131 -7.916 -6.746 -4.461 1044 2H5* 8OG 131 2H5* ODG 131 -9.262 -5.656 -4.595 1045 H4* 8OG 131 1H4* ODG 131 -8.190 -6.976 -2.110 1046 H3* 8OG 131 1H3* ODG 131 -10.167 -7.854 -3.939 1047 1H2* 8OG 131 1H2* ODG 131 -12.094 -7.394 -2.901 1048 2H2* 8OG 131 2H2* ODG 131 -11.513 -8.161 -1.441 1049 H1* 8OG 131 1H1* ODG 131 -11.184 -6.206 -0.462 1050 H1 8OG 131 H1 ODG 131 -15.359 -2.344 1.300 1051 H7 8OG 131 H7 ODG 131 -14.372 -3.535 -3.443 1052 1H2 8OG 131 H21 ODG 131 -13.012 -4.115 3.194 1053 2H2 8OG 131 H22 ODG 131 -14.350 -3.017 3.211 1054 H3T 8OG 131 *HO1 ODG 131 -8.577 -9.186 -2.887 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -11.443 -20.598 -4.271 2 2H MET 1 HT2 MET 1 -11.673 -19.740 -2.801 3 3H MET 1 HT3 MET 1 -12.443 -21.254 -3.043 4 HA MET 1 HA MET 1 -10.432 -21.214 -1.590 5 1HB MET 1 HB2 MET 1 -11.002 -23.000 -3.918 6 2HB MET 1 HB1 MET 1 -9.559 -23.302 -2.961 7 1HG MET 1 HG2 MET 1 -11.070 -23.323 -0.935 8 2HG MET 1 HG1 MET 1 -12.422 -23.357 -2.066 9 1HE MET 1 HE1 MET 1 -12.434 -25.932 -0.092 10 2HE MET 1 HE2 MET 1 -10.874 -25.197 0.276 11 3HE MET 1 HE3 MET 1 -10.957 -26.887 -0.222 12 H LYS 2 HN LYS 2 -9.974 -19.058 -3.596 13 HA LYS 2 HA LYS 2 -7.208 -19.704 -4.372 14 1HB LYS 2 HB2 LYS 2 -9.197 -18.783 -5.974 15 2HB LYS 2 HB1 LYS 2 -8.465 -17.267 -5.469 16 1HG LYS 2 HG2 LYS 2 -7.015 -17.562 -7.121 17 2HG LYS 2 HG1 LYS 2 -6.297 -18.838 -6.136 18 1HD LYS 2 HD2 LYS 2 -7.198 -20.500 -7.393 19 2HD LYS 2 HD1 LYS 2 -8.663 -19.582 -7.747 20 1HE LYS 2 HE2 LYS 2 -7.578 -19.713 -9.807 21 2HE LYS 2 HE1 LYS 2 -7.148 -18.112 -9.206 22 1HZ LYS 2 HZ1 LYS 2 -5.137 -19.516 -8.231 23 2HZ LYS 2 HZ2 LYS 2 -5.097 -18.825 -9.774 24 3HZ LYS 2 HZ3 LYS 2 -5.474 -20.464 -9.590 25 H LYS 3 HN LYS 3 -5.746 -18.939 -3.004 26 HA LYS 3 HA LYS 3 -6.220 -17.014 -1.021 27 1HB LYS 3 HB2 LYS 3 -3.735 -16.957 -0.793 28 2HB LYS 3 HB1 LYS 3 -4.412 -18.579 -0.771 29 1HG LYS 3 HG2 LYS 3 -2.849 -19.072 -2.276 30 2HG LYS 3 HG1 LYS 3 -3.866 -18.206 -3.429 31 1HD LYS 3 HD2 LYS 3 -2.032 -16.957 -3.781 32 2HD LYS 3 HD1 LYS 3 -2.487 -16.161 -2.273 33 1HE LYS 3 HE2 LYS 3 -0.177 -16.737 -2.122 34 2HE LYS 3 HE1 LYS 3 -1.071 -17.825 -1.061 35 1HZ LYS 3 HZ1 LYS 3 -0.963 -19.525 -2.776 36 2HZ LYS 3 HZ2 LYS 3 0.591 -19.012 -2.348 37 3HZ LYS 3 HZ3 LYS 3 -0.107 -18.479 -3.794 38 H LEU 4 HN LEU 4 -6.439 -14.898 -1.152 39 HA LEU 4 HA LEU 4 -5.512 -13.518 -3.565 40 1HB LEU 4 HB2 LEU 4 -7.067 -11.778 -3.012 41 2HB LEU 4 HB1 LEU 4 -7.895 -13.322 -2.922 42 HG LEU 4 HG LEU 4 -7.163 -13.048 -0.339 43 1HD1 LEU 4 1HD1 LEU 4 -8.054 -10.287 -0.759 44 2HD1 LEU 4 2HD1 LEU 4 -6.409 -10.623 -1.301 45 3HD1 LEU 4 3HD1 LEU 4 -6.870 -10.943 0.372 46 1HD2 LEU 4 1HD2 LEU 4 -9.385 -12.923 0.041 47 2HD2 LEU 4 2HD2 LEU 4 -9.477 -13.204 -1.698 48 3HD2 LEU 4 3HD2 LEU 4 -9.608 -11.564 -1.061 49 H GLN 5 HN GLN 5 -3.702 -12.367 -3.475 50 HA GLN 5 HA GLN 5 -2.679 -11.559 -0.850 51 1HB GLN 5 HB2 GLN 5 -1.087 -11.412 -3.385 52 2HB GLN 5 HB1 GLN 5 -0.523 -11.611 -1.732 53 1HG GLN 5 HG2 GLN 5 -1.345 -13.880 -1.687 54 2HG GLN 5 HG1 GLN 5 -2.029 -13.685 -3.297 55 1HE2 GLN 5 1HE2 GLN 5 0.696 -14.543 -1.495 56 2HE2 GLN 5 2HE2 GLN 5 1.807 -14.737 -2.803 57 H ILE 6 HN ILE 6 -1.851 -9.489 -0.511 58 HA ILE 6 HA ILE 6 -2.520 -7.426 -2.470 59 HB ILE 6 HB ILE 6 -3.357 -7.348 0.433 60 1HG1 ILE 6 2HG1 ILE 6 -5.541 -6.876 -1.279 61 2HG1 ILE 6 1HG1 ILE 6 -4.691 -8.259 -1.960 62 1HG2 ILE 6 1HG2 ILE 6 -3.681 -5.282 -1.735 63 2HG2 ILE 6 2HG2 ILE 6 -2.600 -5.176 -0.345 64 3HG2 ILE 6 3HG2 ILE 6 -4.348 -5.180 -0.106 65 1HD1 ILE 6 1HD1 ILE 6 -5.250 -8.231 0.957 66 2HD1 ILE 6 2HD1 ILE 6 -5.136 -9.589 -0.163 67 3HD1 ILE 6 3HD1 ILE 6 -6.570 -8.564 -0.164 68 H ALA 7 HN ALA 7 -1.112 -5.725 -2.493 69 HA ALA 7 HA ALA 7 0.992 -5.695 -0.427 70 1HB ALA 7 HB1 ALA 7 2.252 -6.446 -2.184 71 2HB ALA 7 HB2 ALA 7 2.363 -4.710 -2.464 72 3HB ALA 7 HB3 ALA 7 1.222 -5.680 -3.397 73 H VAL 8 HN VAL 8 1.567 -3.652 0.321 74 HA VAL 8 HA VAL 8 0.450 -1.354 -1.072 75 HB VAL 8 HB VAL 8 -1.197 -0.929 0.338 76 1HG1 VAL 8 1HG1 VAL 8 -1.890 -2.513 2.036 77 2HG1 VAL 8 2HG1 VAL 8 -0.302 -3.282 1.998 78 3HG1 VAL 8 3HG1 VAL 8 -1.357 -3.365 0.587 79 1HG2 VAL 8 1HG2 VAL 8 0.417 0.363 1.629 80 2HG2 VAL 8 2HG2 VAL 8 0.827 -1.070 2.572 81 3HG2 VAL 8 3HG2 VAL 8 -0.788 -0.371 2.691 82 H GLY 9 HN GLY 9 1.419 0.619 -0.583 83 1HA GLY 9 HA2 GLY 9 3.630 0.635 1.306 84 2HA GLY 9 HA1 GLY 9 4.056 0.825 -0.386 85 H ILE 10 HN ILE 10 3.683 2.528 2.303 86 HA ILE 10 HA ILE 10 2.164 4.760 1.218 87 HB ILE 10 HB ILE 10 3.621 5.592 3.524 88 1HG1 ILE 10 2HG1 ILE 10 2.274 2.902 3.876 89 2HG1 ILE 10 1HG1 ILE 10 3.986 3.250 4.093 90 1HG2 ILE 10 1HG2 ILE 10 1.022 5.676 2.500 91 2HG2 ILE 10 2HG2 ILE 10 1.645 6.505 3.925 92 3HG2 ILE 10 3HG2 ILE 10 0.884 4.924 4.090 93 1HD1 ILE 10 1HD1 ILE 10 3.201 4.906 5.893 94 2HD1 ILE 10 2HD1 ILE 10 3.159 3.179 6.253 95 3HD1 ILE 10 3HD1 ILE 10 1.674 4.026 5.818 96 H ILE 11 HN ILE 11 3.126 5.949 -0.313 97 HA ILE 11 HA ILE 11 5.951 6.066 -0.606 98 HB ILE 11 HB ILE 11 4.300 8.146 -1.924 99 1HG1 ILE 11 2HG1 ILE 11 3.992 5.185 -2.340 100 2HG1 ILE 11 1HG1 ILE 11 2.748 6.431 -2.286 101 1HG2 ILE 11 1HG2 ILE 11 5.905 8.034 -3.547 102 2HG2 ILE 11 2HG2 ILE 11 6.190 6.311 -3.302 103 3HG2 ILE 11 3HG2 ILE 11 6.849 7.484 -2.162 104 1HD1 ILE 11 1HD1 ILE 11 2.746 6.100 -4.510 105 2HD1 ILE 11 2HD1 ILE 11 4.404 5.498 -4.528 106 3HD1 ILE 11 3HD1 ILE 11 4.098 7.232 -4.453 107 H ARG 12 HN ARG 12 7.338 7.261 0.430 108 HA ARG 12 HA ARG 12 6.430 9.438 2.110 109 1HB ARG 12 HB2 ARG 12 8.890 7.810 1.883 110 2HB ARG 12 HB1 ARG 12 9.104 9.463 2.443 111 1HG ARG 12 HG2 ARG 12 6.939 7.943 3.730 112 2HG ARG 12 HG1 ARG 12 8.581 7.399 4.063 113 1HD ARG 12 HD2 ARG 12 7.925 10.302 4.256 114 2HD ARG 12 HD1 ARG 12 7.462 9.217 5.566 115 HE ARG 12 HE ARG 12 10.232 9.076 4.714 116 1HH1 ARG 12 1HH1 ARG 12 7.928 10.422 6.970 117 2HH1 ARG 12 2HH1 ARG 12 9.126 10.791 8.162 118 1HH2 ARG 12 1HH2 ARG 12 11.805 9.571 6.282 119 2HH2 ARG 12 2HH2 ARG 12 11.326 10.312 7.771 120 H ASN 13 HN ASN 13 6.338 11.437 1.481 121 HA ASN 13 HA ASN 13 7.453 12.308 -1.003 122 1HB ASN 13 HB2 ASN 13 6.330 14.351 -0.677 123 2HB ASN 13 HB1 ASN 13 5.283 13.138 0.018 124 1HD2 ASN 13 1HD2 ASN 13 4.864 15.669 0.713 125 2HD2 ASN 13 2HD2 ASN 13 5.374 15.960 2.337 126 H GLU 14 HN GLU 14 8.240 14.792 -0.687 127 HA GLU 14 HA GLU 14 10.921 14.473 0.374 128 1HB GLU 14 HB2 GLU 14 10.604 15.406 -1.853 129 2HB GLU 14 HB1 GLU 14 9.618 16.703 -1.193 130 1HG GLU 14 HG2 GLU 14 12.037 17.226 -1.807 131 2HG GLU 14 HG1 GLU 14 11.456 17.771 -0.236 132 H ASN 15 HN ASN 15 8.414 14.980 2.123 133 HA ASN 15 HA ASN 15 9.710 16.984 3.799 134 1HB ASN 15 HB2 ASN 15 8.051 18.192 2.421 135 2HB ASN 15 HB1 ASN 15 6.791 17.128 3.036 136 1HD2 ASN 15 1HD2 ASN 15 5.611 18.728 4.002 137 2HD2 ASN 15 2HD2 ASN 15 6.153 19.598 5.392 138 H ASN 16 HN ASN 16 9.274 14.047 3.921 139 HA ASN 16 HA ASN 16 8.923 12.511 5.568 140 1HB ASN 16 HB2 ASN 16 9.082 14.984 6.972 141 2HB ASN 16 HB1 ASN 16 7.826 14.002 7.713 142 1HD2 ASN 16 1HD2 ASN 16 8.746 13.260 9.506 143 2HD2 ASN 16 2HD2 ASN 16 10.232 12.382 9.574 144 H GLU 17 HN GLU 17 6.606 14.138 4.014 145 HA GLU 17 HA GLU 17 4.365 12.900 5.443 146 1HB GLU 17 HB2 GLU 17 3.958 14.630 3.044 147 2HB GLU 17 HB1 GLU 17 2.953 14.449 4.469 148 1HG GLU 17 HG2 GLU 17 5.567 15.933 4.344 149 2HG GLU 17 HG1 GLU 17 3.962 16.661 4.345 150 H ILE 18 HN ILE 18 2.750 11.741 4.097 151 HA ILE 18 HA ILE 18 4.019 10.500 1.746 152 HB ILE 18 HB ILE 18 2.532 9.189 3.993 153 1HG1 ILE 18 2HG1 ILE 18 4.977 8.031 2.804 154 2HG1 ILE 18 1HG1 ILE 18 5.177 9.565 3.647 155 1HG2 ILE 18 1HG2 ILE 18 1.507 7.895 2.476 156 2HG2 ILE 18 2HG2 ILE 18 3.086 7.132 2.299 157 3HG2 ILE 18 3HG2 ILE 18 2.589 8.396 1.178 158 1HD1 ILE 18 1HD1 ILE 18 4.222 8.604 5.658 159 2HD1 ILE 18 2HD1 ILE 18 5.598 7.652 5.102 160 3HD1 ILE 18 3HD1 ILE 18 3.955 7.077 4.818 161 H PHE 19 HN PHE 19 2.762 10.077 -0.008 162 HA PHE 19 HA PHE 19 0.186 11.421 -0.068 163 1HB PHE 19 HB2 PHE 19 0.826 11.988 -2.134 164 2HB PHE 19 HB1 PHE 19 2.314 11.087 -1.903 165 HD1 PHE 19 HD1 PHE 19 2.822 9.410 -3.379 166 HD2 PHE 19 HD2 PHE 19 -1.249 10.532 -2.859 167 HE1 PHE 19 HE1 PHE 19 2.173 7.878 -5.190 168 HE2 PHE 19 HE2 PHE 19 -1.906 8.997 -4.667 169 HZ PHE 19 HZ PHE 19 -0.192 7.670 -5.835 170 H ILE 20 HN ILE 20 -1.571 10.314 0.421 171 HA ILE 20 HA ILE 20 -1.751 7.492 -0.420 172 HB ILE 20 HB ILE 20 -3.634 8.015 1.661 173 1HG1 ILE 20 2HG1 ILE 20 -1.778 8.260 3.490 174 2HG1 ILE 20 1HG1 ILE 20 -0.858 9.024 2.199 175 1HG2 ILE 20 1HG2 ILE 20 -1.155 6.309 1.601 176 2HG2 ILE 20 2HG2 ILE 20 -2.763 5.836 1.058 177 3HG2 ILE 20 3HG2 ILE 20 -2.472 6.170 2.765 178 1HD1 ILE 20 1HD1 ILE 20 -2.898 10.530 1.891 179 2HD1 ILE 20 2HD1 ILE 20 -1.888 10.786 3.316 180 3HD1 ILE 20 3HD1 ILE 20 -3.418 9.919 3.463 181 H THR 21 HN THR 21 -4.012 6.752 -0.804 182 HA THR 21 HA THR 21 -5.471 8.802 -2.267 183 HB THR 21 HB THR 21 -5.182 6.767 -3.477 184 HG1 THR 21 HG1 THR 21 -7.823 6.697 -2.456 185 1HG2 THR 21 1HG2 THR 21 -6.099 4.614 -2.692 186 2HG2 THR 21 2HG2 THR 21 -6.356 5.340 -1.106 187 3HG2 THR 21 3HG2 THR 21 -4.722 5.180 -1.748 188 H ARG 22 HN ARG 22 -6.895 9.985 -1.178 189 HA ARG 22 HA ARG 22 -8.327 8.770 1.076 190 1HB ARG 22 HB2 ARG 22 -8.370 11.699 0.424 191 2HB ARG 22 HB1 ARG 22 -8.611 10.910 1.977 192 1HG ARG 22 HG2 ARG 22 -6.007 10.247 1.118 193 2HG ARG 22 HG1 ARG 22 -6.221 11.979 0.852 194 1HD ARG 22 HD2 ARG 22 -6.844 10.566 3.439 195 2HD ARG 22 HD1 ARG 22 -5.322 11.388 3.102 196 HE ARG 22 HE ARG 22 -7.608 13.066 2.706 197 1HH1 ARG 22 1HH1 ARG 22 -5.396 11.811 5.096 198 2HH1 ARG 22 2HH1 ARG 22 -5.637 13.130 6.192 199 1HH2 ARG 22 1HH2 ARG 22 -7.925 14.802 4.147 200 2HH2 ARG 22 2HH2 ARG 22 -7.072 14.827 5.655 201 H ARG 23 HN ARG 23 -9.833 7.631 -0.230 202 HA ARG 23 HA ARG 23 -11.779 7.320 -1.380 203 1HB ARG 23 HB2 ARG 23 -12.774 9.979 -0.461 204 2HB ARG 23 HB1 ARG 23 -13.600 8.430 -0.500 205 1HG ARG 23 HG2 ARG 23 -12.861 7.826 1.552 206 2HG ARG 23 HG1 ARG 23 -11.322 8.668 1.371 207 1HD ARG 23 HD2 ARG 23 -13.976 10.030 1.800 208 2HD ARG 23 HD1 ARG 23 -12.821 9.670 3.081 209 HE ARG 23 HE ARG 23 -11.380 11.084 1.249 210 1HH1 ARG 23 1HH1 ARG 23 -14.333 11.660 3.018 211 2HH1 ARG 23 2HH1 ARG 23 -14.117 13.377 3.064 212 1HH2 ARG 23 1HH2 ARG 23 -11.094 13.343 1.310 213 2HH2 ARG 23 2HH2 ARG 23 -12.278 14.333 2.095 214 H ALA 24 HN ALA 24 -9.610 8.954 -2.701 215 HA ALA 24 HA ALA 24 -9.274 10.236 -4.563 216 1HB ALA 24 HB1 ALA 24 -11.706 9.532 -5.951 217 2HB ALA 24 HB2 ALA 24 -10.990 8.130 -5.156 218 3HB ALA 24 HB3 ALA 24 -10.038 9.078 -6.299 219 H ALA 25 HN ALA 25 -10.867 11.471 -2.391 220 HA ALA 25 HA ALA 25 -12.037 13.377 -1.973 221 1HB ALA 25 HB1 ALA 25 -10.733 13.888 -4.589 222 2HB ALA 25 HB2 ALA 25 -10.555 14.729 -3.050 223 3HB ALA 25 HB3 ALA 25 -11.974 15.021 -4.056 224 H ASP 26 HN ASP 26 -13.571 11.173 -2.805 225 HA ASP 26 HA ASP 26 -15.831 12.570 -4.055 226 1HB ASP 26 HB2 ASP 26 -16.398 10.568 -5.348 227 2HB ASP 26 HB1 ASP 26 -14.790 11.148 -5.770 228 H ALA 27 HN ALA 27 -17.769 10.743 -3.933 229 HA ALA 27 HA ALA 27 -18.045 10.281 -1.051 230 1HB ALA 27 HB1 ALA 27 -19.723 11.665 -2.359 231 2HB ALA 27 HB2 ALA 27 -20.381 10.380 -1.347 232 3HB ALA 27 HB3 ALA 27 -20.250 10.149 -3.091 233 H HIS 28 HN HIS 28 -20.147 8.400 -1.184 234 HA HIS 28 HA HIS 28 -20.590 6.174 -1.350 235 1HB HIS 28 HB2 HIS 28 -19.171 6.751 -3.766 236 2HB HIS 28 HB1 HIS 28 -18.620 5.193 -3.157 237 HD1 HIS 28 HD1 HIS 28 -19.803 3.963 -5.106 238 HD2 HIS 28 HD2 HIS 28 -22.364 6.121 -2.646 239 HE1 HIS 28 HE1 HIS 28 -22.119 3.182 -5.697 240 HE2 HIS 28 HE2 HIS 28 -23.657 4.565 -4.256 241 H MET 29 HN MET 29 -17.130 5.996 -2.119 242 HA MET 29 HA MET 29 -16.750 4.358 0.275 243 1HB MET 29 HB2 MET 29 -15.230 4.718 -2.281 244 2HB MET 29 HB1 MET 29 -14.407 4.081 -0.864 245 1HG MET 29 HG2 MET 29 -15.190 2.286 -2.283 246 2HG MET 29 HG1 MET 29 -16.026 2.264 -0.733 247 1HE MET 29 HE1 MET 29 -16.525 1.633 -4.319 248 2HE MET 29 HE2 MET 29 -16.238 3.367 -4.472 249 3HE MET 29 HE3 MET 29 -17.820 2.697 -4.868 250 H ALA 30 HN ALA 30 -16.984 6.361 1.580 251 HA ALA 30 HA ALA 30 -14.790 8.246 1.479 252 1HB ALA 30 HB1 ALA 30 -17.365 8.533 2.197 253 2HB ALA 30 HB2 ALA 30 -16.073 9.607 2.736 254 3HB ALA 30 HB3 ALA 30 -16.627 8.299 3.782 255 H ASN 31 HN ASN 31 -15.644 5.384 3.248 256 HA ASN 31 HA ASN 31 -13.597 5.891 5.257 257 1HB ASN 31 HB2 ASN 31 -14.648 3.411 5.817 258 2HB ASN 31 HB1 ASN 31 -15.170 4.926 6.533 259 1HD2 ASN 31 1HD2 ASN 31 -16.886 6.091 5.295 260 2HD2 ASN 31 2HD2 ASN 31 -18.140 5.134 4.593 261 H LYS 32 HN LYS 32 -12.916 5.326 2.444 262 HA LYS 32 HA LYS 32 -11.471 2.798 2.832 263 1HB LYS 32 HB2 LYS 32 -12.912 3.886 0.528 264 2HB LYS 32 HB1 LYS 32 -11.312 3.270 0.138 265 1HG LYS 32 HG2 LYS 32 -12.038 1.176 1.451 266 2HG LYS 32 HG1 LYS 32 -13.674 1.807 1.242 267 1HD LYS 32 HD2 LYS 32 -12.687 2.037 -1.282 268 2HD LYS 32 HD1 LYS 32 -11.850 0.590 -0.715 269 1HE LYS 32 HE2 LYS 32 -14.768 0.812 -0.195 270 2HE LYS 32 HE1 LYS 32 -14.247 0.479 -1.846 271 1HZ LYS 32 HZ1 LYS 32 -14.098 -1.201 0.524 272 2HZ LYS 32 HZ2 LYS 32 -12.773 -1.280 -0.523 273 3HZ LYS 32 HZ3 LYS 32 -14.324 -1.631 -1.098 274 H LEU 33 HN LEU 33 -10.700 5.491 3.663 275 HA LEU 33 HA LEU 33 -8.710 6.589 2.025 276 1HB LEU 33 HB2 LEU 33 -9.797 7.445 4.237 277 2HB LEU 33 HB1 LEU 33 -8.489 6.577 5.014 278 HG LEU 33 HG LEU 33 -8.267 8.916 3.127 279 1HD1 LEU 33 1HD1 LEU 33 -7.948 8.485 6.045 280 2HD1 LEU 33 2HD1 LEU 33 -8.610 9.864 5.168 281 3HD1 LEU 33 3HD1 LEU 33 -6.864 9.628 5.253 282 1HD2 LEU 33 1HD2 LEU 33 -5.767 8.642 3.723 283 2HD2 LEU 33 2HD2 LEU 33 -6.456 7.625 2.457 284 3HD2 LEU 33 3HD2 LEU 33 -6.198 6.969 4.075 285 H GLU 34 HN GLU 34 -7.509 4.861 1.129 286 HA GLU 34 HA GLU 34 -5.587 3.657 3.006 287 1HB GLU 34 HB2 GLU 34 -7.514 2.233 1.705 288 2HB GLU 34 HB1 GLU 34 -6.174 2.104 0.574 289 1HG GLU 34 HG2 GLU 34 -5.080 1.613 3.100 290 2HG GLU 34 HG1 GLU 34 -6.608 0.736 3.058 291 H PHE 35 HN PHE 35 -3.938 2.389 1.271 292 HA PHE 35 HA PHE 35 -2.901 4.573 -0.411 293 1HB PHE 35 HB2 PHE 35 -0.747 2.871 0.261 294 2HB PHE 35 HB1 PHE 35 -1.009 4.529 0.778 295 HD1 PHE 35 HD1 PHE 35 -2.297 1.131 1.662 296 HD2 PHE 35 HD2 PHE 35 -0.852 4.893 3.027 297 HE1 PHE 35 HE1 PHE 35 -2.499 0.362 3.989 298 HE2 PHE 35 HE2 PHE 35 -1.052 4.131 5.357 299 HZ PHE 35 HZ PHE 35 -1.875 1.861 5.839 300 HA PRO 36 HA PRO 36 -2.488 2.168 -4.086 301 1HB PRO 36 HB2 PRO 36 0.310 2.042 -4.340 302 2HB PRO 36 HB1 PRO 36 -0.745 3.286 -5.014 303 1HG PRO 36 HG2 PRO 36 0.858 3.318 -2.500 304 2HG PRO 36 HG1 PRO 36 0.521 4.637 -3.636 305 1HD PRO 36 HD2 PRO 36 -0.746 4.509 -1.304 306 2HD PRO 36 HD1 PRO 36 -1.617 4.994 -2.772 307 H GLY 37 HN GLY 37 -1.527 0.101 -4.963 308 1HA GLY 37 HA2 GLY 37 -0.365 -1.956 -4.525 309 2HA GLY 37 HA1 GLY 37 -0.572 -1.648 -2.828 310 H GLY 38 HN GLY 38 -2.612 -1.964 -5.627 311 1HA GLY 38 HA2 GLY 38 -4.153 -4.075 -4.301 312 2HA GLY 38 HA1 GLY 38 -5.008 -2.685 -4.959 313 H LYS 39 HN LYS 39 -3.832 -5.775 -5.608 314 HA LYS 39 HA LYS 39 -4.762 -6.828 -7.616 315 1HB LYS 39 HB2 LYS 39 -5.168 -4.752 -8.849 316 2HB LYS 39 HB1 LYS 39 -3.435 -4.496 -9.012 317 1HG LYS 39 HG2 LYS 39 -3.284 -5.869 -10.760 318 2HG LYS 39 HG1 LYS 39 -4.307 -7.091 -10.005 319 1HD LYS 39 HD2 LYS 39 -5.882 -4.794 -10.708 320 2HD LYS 39 HD1 LYS 39 -4.969 -5.350 -12.112 321 1HE LYS 39 HE2 LYS 39 -6.780 -6.701 -12.332 322 2HE LYS 39 HE1 LYS 39 -5.831 -7.711 -11.241 323 1HZ LYS 39 HZ1 LYS 39 -7.125 -7.085 -9.424 324 2HZ LYS 39 HZ2 LYS 39 -8.257 -7.309 -10.660 325 3HZ LYS 39 HZ3 LYS 39 -7.788 -5.746 -10.218 326 H ILE 40 HN ILE 40 -1.861 -5.877 -6.295 327 HA ILE 40 HA ILE 40 0.181 -6.792 -7.816 328 HB ILE 40 HB ILE 40 0.986 -6.043 -5.832 329 1HG1 ILE 40 2HG1 ILE 40 0.853 -8.989 -5.159 330 2HG1 ILE 40 1HG1 ILE 40 1.965 -8.309 -6.342 331 1HG2 ILE 40 1HG2 ILE 40 -0.115 -7.284 -3.663 332 2HG2 ILE 40 2HG2 ILE 40 -1.486 -7.170 -4.767 333 3HG2 ILE 40 3HG2 ILE 40 -0.601 -5.717 -4.310 334 1HD1 ILE 40 1HD1 ILE 40 3.277 -8.423 -4.473 335 2HD1 ILE 40 2HD1 ILE 40 1.947 -8.050 -3.383 336 3HD1 ILE 40 3HD1 ILE 40 2.667 -6.776 -4.366 337 H GLU 41 HN GLU 41 -1.389 -8.841 -5.473 338 HA GLU 41 HA GLU 41 -0.608 -11.243 -5.552 339 1HB GLU 41 HB2 GLU 41 -3.027 -12.086 -6.078 340 2HB GLU 41 HB1 GLU 41 -2.712 -11.122 -4.647 341 1HG GLU 41 HG2 GLU 41 -4.137 -9.567 -5.308 342 2HG GLU 41 HG1 GLU 41 -3.326 -9.394 -6.855 343 H MET 42 HN MET 42 -2.930 -10.858 -8.196 344 HA MET 42 HA MET 42 -3.052 -11.957 -10.202 345 1HB MET 42 HB2 MET 42 -0.325 -10.674 -10.256 346 2HB MET 42 HB1 MET 42 -1.032 -11.448 -11.667 347 1HG MET 42 HG2 MET 42 -2.775 -9.502 -10.344 348 2HG MET 42 HG1 MET 42 -1.297 -8.827 -11.028 349 1HE MET 42 HE1 MET 42 -4.911 -10.578 -13.104 350 2HE MET 42 HE2 MET 42 -4.413 -10.777 -11.425 351 3HE MET 42 HE3 MET 42 -3.753 -11.836 -12.671 352 H GLY 43 HN GLY 43 0.410 -12.532 -10.205 353 1HA GLY 43 HA2 GLY 43 0.227 -15.232 -9.246 354 2HA GLY 43 HA1 GLY 43 0.307 -15.144 -10.993 355 H GLU 44 HN GLU 44 1.965 -12.677 -9.322 356 HA GLU 44 HA GLU 44 4.491 -13.622 -10.324 357 1HB GLU 44 HB2 GLU 44 3.387 -11.122 -9.490 358 2HB GLU 44 HB1 GLU 44 4.858 -11.411 -8.572 359 1HG GLU 44 HG2 GLU 44 5.990 -10.639 -10.306 360 2HG GLU 44 HG1 GLU 44 5.519 -12.096 -11.179 361 H THR 45 HN THR 45 6.253 -12.714 -8.305 362 HA THR 45 HA THR 45 5.864 -14.841 -6.313 363 HB THR 45 HB THR 45 8.505 -13.642 -6.318 364 HG1 THR 45 HG1 THR 45 7.556 -14.684 -8.778 365 1HG2 THR 45 1HG2 THR 45 8.904 -16.138 -7.220 366 2HG2 THR 45 2HG2 THR 45 7.324 -16.326 -6.457 367 3HG2 THR 45 3HG2 THR 45 8.691 -15.725 -5.518 368 HA PRO 46 HA PRO 46 5.285 -12.207 -2.831 369 1HB PRO 46 HB2 PRO 46 7.613 -12.940 -1.372 370 2HB PRO 46 HB1 PRO 46 5.981 -13.580 -1.178 371 1HG PRO 46 HG2 PRO 46 8.279 -14.695 -2.690 372 2HG PRO 46 HG1 PRO 46 6.958 -15.538 -1.860 373 1HD PRO 46 HD2 PRO 46 7.026 -15.379 -4.521 374 2HD PRO 46 HD1 PRO 46 5.488 -15.243 -3.644 375 H GLU 47 HN GLU 47 8.373 -12.266 -4.475 376 HA GLU 47 HA GLU 47 9.099 -9.663 -3.373 377 1HB GLU 47 HB2 GLU 47 10.557 -11.936 -4.353 378 2HB GLU 47 HB1 GLU 47 11.036 -10.500 -5.248 379 1HG GLU 47 HG2 GLU 47 11.034 -10.766 -2.249 380 2HG GLU 47 HG1 GLU 47 12.449 -10.900 -3.292 381 H GLN 48 HN GLN 48 8.755 -11.180 -6.612 382 HA GLN 48 HA GLN 48 8.901 -8.604 -7.904 383 1HB GLN 48 HB2 GLN 48 8.718 -11.433 -8.767 384 2HB GLN 48 HB1 GLN 48 8.070 -10.234 -9.877 385 1HG GLN 48 HG2 GLN 48 10.818 -9.975 -8.711 386 2HG GLN 48 HG1 GLN 48 10.505 -10.935 -10.156 387 1HE2 GLN 48 1HE2 GLN 48 12.111 -9.248 -10.908 388 2HE2 GLN 48 2HE2 GLN 48 11.450 -7.803 -11.585 389 H ALA 49 HN ALA 49 6.461 -10.144 -6.272 390 HA ALA 49 HA ALA 49 4.245 -9.700 -7.961 391 1HB ALA 49 HB1 ALA 49 4.108 -11.241 -6.112 392 2HB ALA 49 HB2 ALA 49 2.908 -9.969 -5.903 393 3HB ALA 49 HB3 ALA 49 4.397 -9.938 -4.960 394 H VAL 50 HN VAL 50 5.371 -7.822 -5.130 395 HA VAL 50 HA VAL 50 3.615 -5.640 -5.795 396 HB VAL 50 HB VAL 50 3.887 -5.662 -3.514 397 1HG1 VAL 50 1HG1 VAL 50 5.426 -7.195 -2.901 398 2HG1 VAL 50 2HG1 VAL 50 6.388 -5.748 -2.599 399 3HG1 VAL 50 3HG1 VAL 50 6.606 -6.657 -4.096 400 1HG2 VAL 50 1HG2 VAL 50 4.439 -3.426 -4.465 401 2HG2 VAL 50 2HG2 VAL 50 6.146 -3.823 -4.278 402 3HG2 VAL 50 3HG2 VAL 50 5.106 -3.713 -2.857 403 H VAL 51 HN VAL 51 7.084 -6.277 -6.050 404 HA VAL 51 HA VAL 51 8.013 -3.786 -6.747 405 HB VAL 51 HB VAL 51 8.912 -6.411 -7.949 406 1HG1 VAL 51 1HG1 VAL 51 10.193 -5.098 -9.230 407 2HG1 VAL 51 2HG1 VAL 51 11.108 -4.771 -7.758 408 3HG1 VAL 51 3HG1 VAL 51 9.836 -3.662 -8.270 409 1HG2 VAL 51 1HG2 VAL 51 10.367 -5.074 -5.733 410 2HG2 VAL 51 2HG2 VAL 51 10.209 -6.789 -6.112 411 3HG2 VAL 51 3HG2 VAL 51 8.877 -5.930 -5.340 412 H ARG 52 HN ARG 52 6.272 -6.100 -8.731 413 HA ARG 52 HA ARG 52 6.639 -4.597 -11.144 414 1HB ARG 52 HB2 ARG 52 6.103 -7.168 -10.766 415 2HB ARG 52 HB1 ARG 52 4.445 -6.597 -10.879 416 1HG ARG 52 HG2 ARG 52 4.662 -6.838 -13.076 417 2HG ARG 52 HG1 ARG 52 5.667 -5.388 -13.028 418 1HD ARG 52 HD2 ARG 52 7.644 -6.861 -12.644 419 2HD ARG 52 HD1 ARG 52 6.593 -8.254 -12.896 420 HE ARG 52 HE ARG 52 6.732 -7.884 -15.141 421 1HH1 ARG 52 1HH1 ARG 52 7.624 -4.943 -13.487 422 2HH1 ARG 52 2HH1 ARG 52 8.085 -4.118 -14.939 423 1HH2 ARG 52 1HH2 ARG 52 7.337 -6.801 -17.051 424 2HH2 ARG 52 2HH2 ARG 52 7.921 -5.173 -16.962 425 H GLU 53 HN GLU 53 3.861 -5.227 -9.017 426 HA GLU 53 HA GLU 53 2.054 -3.545 -10.346 427 1HB GLU 53 HB2 GLU 53 1.647 -5.333 -8.504 428 2HB GLU 53 HB1 GLU 53 1.943 -4.013 -7.381 429 1HG GLU 53 HG2 GLU 53 -0.331 -3.927 -7.567 430 2HG GLU 53 HG1 GLU 53 0.149 -2.775 -8.813 431 H LEU 54 HN LEU 54 4.627 -2.892 -8.121 432 HA LEU 54 HA LEU 54 3.856 -0.460 -7.035 433 1HB LEU 54 HB2 LEU 54 6.176 -2.005 -7.109 434 2HB LEU 54 HB1 LEU 54 6.656 -0.462 -7.788 435 HG LEU 54 HG LEU 54 5.942 0.698 -5.797 436 1HD1 LEU 54 1HD1 LEU 54 5.433 -1.441 -4.003 437 2HD1 LEU 54 2HD1 LEU 54 4.356 -1.613 -5.389 438 3HD1 LEU 54 3HD1 LEU 54 4.369 -0.113 -4.465 439 1HD2 LEU 54 1HD2 LEU 54 7.782 -1.621 -5.546 440 2HD2 LEU 54 2HD2 LEU 54 7.392 -0.680 -4.106 441 3HD2 LEU 54 3HD2 LEU 54 8.128 0.108 -5.502 442 H GLN 55 HN GLN 55 5.445 -1.137 -10.128 443 HA GLN 55 HA GLN 55 5.779 1.528 -10.949 444 1HB GLN 55 HB2 GLN 55 6.089 -1.085 -12.094 445 2HB GLN 55 HB1 GLN 55 5.244 -0.057 -13.242 446 1HG GLN 55 HG2 GLN 55 7.074 1.635 -12.898 447 2HG GLN 55 HG1 GLN 55 7.945 0.388 -12.008 448 1HE2 GLN 55 1HE2 GLN 55 9.622 0.167 -13.415 449 2HE2 GLN 55 2HE2 GLN 55 9.452 -0.460 -15.016 450 H GLU 56 HN GLU 56 3.036 -0.586 -10.858 451 HA GLU 56 HA GLU 56 1.395 0.949 -12.647 452 1HB GLU 56 HB2 GLU 56 1.232 -1.568 -11.850 453 2HB GLU 56 HB1 GLU 56 0.230 -0.871 -10.591 454 1HG GLU 56 HG2 GLU 56 -0.778 0.282 -12.861 455 2HG GLU 56 HG1 GLU 56 -0.352 -1.339 -13.404 456 H GLU 57 HN GLU 57 2.146 1.030 -9.251 457 HA GLU 57 HA GLU 57 -0.048 2.930 -8.828 458 1HB GLU 57 HB2 GLU 57 1.436 1.102 -6.979 459 2HB GLU 57 HB1 GLU 57 0.568 2.497 -6.350 460 1HG GLU 57 HG2 GLU 57 -1.289 1.302 -6.354 461 2HG GLU 57 HG1 GLU 57 -1.194 1.206 -8.109 462 H VAL 58 HN VAL 58 3.033 3.151 -9.710 463 HA VAL 58 HA VAL 58 3.406 5.667 -8.241 464 HB VAL 58 HB VAL 58 5.704 3.799 -8.839 465 1HG1 VAL 58 1HG1 VAL 58 6.856 5.678 -8.482 466 2HG1 VAL 58 2HG1 VAL 58 6.417 5.485 -6.785 467 3HG1 VAL 58 3HG1 VAL 58 5.448 6.520 -7.833 468 1HG2 VAL 58 1HG2 VAL 58 3.785 3.726 -6.660 469 2HG2 VAL 58 2HG2 VAL 58 5.441 3.928 -6.088 470 3HG2 VAL 58 3HG2 VAL 58 5.025 2.557 -7.115 471 H GLY 59 HN GLY 59 4.394 3.633 -10.952 472 1HA GLY 59 HA2 GLY 59 4.957 4.113 -13.107 473 2HA GLY 59 HA1 GLY 59 3.910 5.502 -12.922 474 H ILE 60 HN ILE 60 6.381 5.811 -10.675 475 HA ILE 60 HA ILE 60 7.994 7.350 -12.579 476 HB ILE 60 HB ILE 60 8.555 8.451 -10.127 477 1HG1 ILE 60 2HG1 ILE 60 5.637 8.771 -10.123 478 2HG1 ILE 60 1HG1 ILE 60 6.210 7.199 -9.588 479 1HG2 ILE 60 1HG2 ILE 60 6.685 9.393 -12.279 480 2HG2 ILE 60 2HG2 ILE 60 8.414 9.713 -12.143 481 3HG2 ILE 60 3HG2 ILE 60 7.292 10.419 -10.978 482 1HD1 ILE 60 1HD1 ILE 60 7.819 8.565 -8.097 483 2HD1 ILE 60 2HD1 ILE 60 6.130 8.381 -7.624 484 3HD1 ILE 60 3HD1 ILE 60 6.676 9.876 -8.382 485 H THR 61 HN THR 61 10.151 7.966 -11.118 486 HA THR 61 HA THR 61 11.260 5.358 -10.372 487 HB THR 61 HB THR 61 13.410 6.707 -10.949 488 HG1 THR 61 HG1 THR 61 12.174 8.683 -11.188 489 1HG2 THR 61 1HG2 THR 61 12.590 4.816 -12.301 490 2HG2 THR 61 2HG2 THR 61 13.303 6.096 -13.284 491 3HG2 THR 61 3HG2 THR 61 11.546 5.939 -13.178 492 HA PRO 62 HA PRO 62 11.845 7.855 -6.588 493 1HB PRO 62 HB2 PRO 62 9.953 6.835 -5.098 494 2HB PRO 62 HB1 PRO 62 9.486 7.714 -6.558 495 1HG PRO 62 HG2 PRO 62 9.478 4.788 -6.048 496 2HG PRO 62 HG1 PRO 62 8.420 5.749 -7.092 497 1HD PRO 62 HD2 PRO 62 10.847 4.327 -7.804 498 2HD PRO 62 HD1 PRO 62 9.724 5.204 -8.857 499 H GLN 63 HN GLN 63 13.005 7.390 -4.689 500 HA GLN 63 HA GLN 63 14.120 4.733 -4.445 501 1HB GLN 63 HB2 GLN 63 14.291 7.132 -2.594 502 2HB GLN 63 HB1 GLN 63 15.206 5.644 -2.399 503 1HG GLN 63 HG2 GLN 63 16.428 6.051 -4.410 504 2HG GLN 63 HG1 GLN 63 15.404 7.430 -4.810 505 1HE2 GLN 63 1HE2 GLN 63 17.706 8.292 -4.948 506 2HE2 GLN 63 2HE2 GLN 63 18.325 9.039 -3.518 507 H HIS 64 HN HIS 64 12.092 3.703 -4.345 508 HA HIS 64 HA HIS 64 10.710 3.926 -1.758 509 1HB HIS 64 HB2 HIS 64 9.153 4.706 -3.301 510 2HB HIS 64 HB1 HIS 64 9.776 3.691 -4.566 511 HD1 HIS 64 HD1 HIS 64 8.741 2.139 -1.328 512 HD2 HIS 64 HD2 HIS 64 7.236 2.695 -5.157 513 HE1 HIS 64 HE1 HIS 64 6.739 0.628 -1.489 514 HE2 HIS 64 HE2 HIS 64 5.744 1.129 -3.746 515 H PHE 65 HN PHE 65 10.667 2.145 -0.545 516 HA PHE 65 HA PHE 65 10.349 -0.473 -1.497 517 1HB PHE 65 HB2 PHE 65 12.798 0.358 -2.144 518 2HB PHE 65 HB1 PHE 65 13.127 -0.135 -0.494 519 HD1 PHE 65 HD1 PHE 65 11.014 -2.444 -0.587 520 HD2 PHE 65 HD2 PHE 65 14.237 -1.295 -3.120 521 HE1 PHE 65 HE1 PHE 65 11.234 -4.769 -1.357 522 HE2 PHE 65 HE2 PHE 65 14.463 -3.619 -3.893 523 HZ PHE 65 HZ PHE 65 12.959 -5.360 -3.014 524 H SER 66 HN SER 66 12.426 -1.325 0.658 525 HA SER 66 HA SER 66 12.408 -1.964 2.818 526 1HB SER 66 HB2 SER 66 10.968 0.460 3.720 527 2HB SER 66 HB1 SER 66 12.474 -0.244 4.305 528 HG SER 66 HG SER 66 13.247 1.437 3.257 529 H LEU 67 HN LEU 67 11.080 -2.493 4.705 530 HA LEU 67 HA LEU 67 8.237 -2.805 4.024 531 1HB LEU 67 HB2 LEU 67 9.294 -4.943 3.702 532 2HB LEU 67 HB1 LEU 67 10.099 -4.831 5.255 533 HG LEU 67 HG LEU 67 7.150 -4.718 5.347 534 1HD1 LEU 67 1HD1 LEU 67 8.612 -6.945 4.089 535 2HD1 LEU 67 2HD1 LEU 67 6.926 -6.453 3.926 536 3HD1 LEU 67 3HD1 LEU 67 7.439 -7.393 5.327 537 1HD2 LEU 67 1HD2 LEU 67 8.640 -6.668 6.942 538 2HD2 LEU 67 2HD2 LEU 67 7.477 -5.441 7.442 539 3HD2 LEU 67 3HD2 LEU 67 9.162 -4.998 7.164 540 H PHE 68 HN PHE 68 7.097 -1.621 5.408 541 HA PHE 68 HA PHE 68 8.146 -0.856 7.962 542 1HB PHE 68 HB2 PHE 68 6.808 0.872 7.474 543 2HB PHE 68 HB1 PHE 68 5.984 -0.042 6.220 544 HD1 PHE 68 HD1 PHE 68 5.942 0.918 9.765 545 HD2 PHE 68 HD2 PHE 68 3.877 -1.073 6.626 546 HE1 PHE 68 HE1 PHE 68 3.898 0.883 11.137 547 HE2 PHE 68 HE2 PHE 68 1.830 -1.112 7.985 548 HZ PHE 68 HZ PHE 68 1.836 -0.132 10.247 549 H GLU 69 HN GLU 69 5.336 -2.782 6.918 550 HA GLU 69 HA GLU 69 5.696 -4.746 8.917 551 1HB GLU 69 HB2 GLU 69 3.980 -2.441 9.576 552 2HB GLU 69 HB1 GLU 69 3.245 -4.012 9.861 553 1HG GLU 69 HG2 GLU 69 5.612 -4.443 11.012 554 2HG GLU 69 HG1 GLU 69 5.509 -2.695 11.223 555 H LYS 70 HN LYS 70 4.696 -6.575 8.246 556 HA LYS 70 HA LYS 70 2.486 -6.272 6.316 557 1HB LYS 70 HB2 LYS 70 3.335 -8.196 5.084 558 2HB LYS 70 HB1 LYS 70 4.557 -6.934 5.171 559 1HG LYS 70 HG2 LYS 70 5.914 -8.615 5.751 560 2HG LYS 70 HG1 LYS 70 5.197 -8.407 7.349 561 1HD LYS 70 HD2 LYS 70 3.731 -10.216 7.047 562 2HD LYS 70 HD1 LYS 70 3.983 -10.238 5.301 563 1HE LYS 70 HE2 LYS 70 6.510 -10.646 6.194 564 2HE LYS 70 HE1 LYS 70 5.576 -11.437 7.463 565 1HZ LYS 70 HZ1 LYS 70 4.786 -12.035 4.730 566 2HZ LYS 70 HZ2 LYS 70 4.895 -13.056 6.076 567 3HZ LYS 70 HZ3 LYS 70 6.290 -12.643 5.213 568 H LEU 71 HN LEU 71 0.694 -7.440 6.719 569 HA LEU 71 HA LEU 71 0.802 -9.343 8.957 570 1HB LEU 71 HB2 LEU 71 -1.312 -8.723 9.580 571 2HB LEU 71 HB1 LEU 71 -0.727 -7.216 8.906 572 HG LEU 71 HG LEU 71 -1.861 -8.096 6.706 573 1HD1 LEU 71 1HD1 LEU 71 -2.888 -9.897 8.810 574 2HD1 LEU 71 2HD1 LEU 71 -2.696 -10.164 7.078 575 3HD1 LEU 71 3HD1 LEU 71 -4.072 -9.240 7.680 576 1HD2 LEU 71 1HD2 LEU 71 -2.913 -6.655 9.046 577 2HD2 LEU 71 2HD2 LEU 71 -4.122 -7.234 7.901 578 3HD2 LEU 71 3HD2 LEU 71 -2.829 -6.169 7.353 579 H GLU 72 HN GLU 72 -0.603 -11.236 8.839 580 HA GLU 72 HA GLU 72 -1.292 -12.103 6.135 581 1HB GLU 72 HB2 GLU 72 0.785 -13.129 6.230 582 2HB GLU 72 HB1 GLU 72 0.704 -13.370 7.969 583 1HG GLU 72 HG2 GLU 72 -0.841 -15.179 7.704 584 2HG GLU 72 HG1 GLU 72 -0.961 -14.879 5.970 585 H TYR 73 HN TYR 73 -3.407 -12.481 6.295 586 HA TYR 73 HA TYR 73 -4.354 -14.178 8.500 587 1HB TYR 73 HB2 TYR 73 -4.904 -11.537 8.487 588 2HB TYR 73 HB1 TYR 73 -6.237 -12.120 7.495 589 HD1 TYR 73 HD1 TYR 73 -4.517 -13.278 10.613 590 HD2 TYR 73 HD2 TYR 73 -8.195 -12.393 8.667 591 HE1 TYR 73 HE1 TYR 73 -5.740 -13.920 12.647 592 HE2 TYR 73 HE2 TYR 73 -9.429 -13.032 10.697 593 HH TYR 73 HH TYR 73 -8.221 -13.203 13.607 594 H GLU 74 HN GLU 74 -6.219 -15.456 8.006 595 HA GLU 74 HA GLU 74 -6.725 -15.705 5.116 596 1HB GLU 74 HB2 GLU 74 -7.227 -18.178 5.751 597 2HB GLU 74 HB1 GLU 74 -5.562 -17.657 5.538 598 1HG GLU 74 HG2 GLU 74 -5.556 -17.279 8.066 599 2HG GLU 74 HG1 GLU 74 -7.034 -18.238 8.079 600 H PHE 75 HN PHE 75 -8.765 -15.968 4.426 601 HA PHE 75 HA PHE 75 -10.888 -15.628 6.422 602 1HB PHE 75 HB2 PHE 75 -10.377 -14.475 3.821 603 2HB PHE 75 HB1 PHE 75 -11.953 -15.252 3.845 604 HD1 PHE 75 HD1 PHE 75 -9.992 -13.251 6.313 605 HD2 PHE 75 HD2 PHE 75 -13.635 -13.733 4.166 606 HE1 PHE 75 HE1 PHE 75 -10.927 -11.292 7.470 607 HE2 PHE 75 HE2 PHE 75 -14.577 -11.774 5.319 608 HZ PHE 75 HZ PHE 75 -13.223 -10.550 6.973 609 HA PRO 76 HA PRO 76 -12.912 -19.496 5.903 610 1HB PRO 76 HB2 PRO 76 -15.290 -18.668 4.596 611 2HB PRO 76 HB1 PRO 76 -15.053 -18.925 6.325 612 1HG PRO 76 HG2 PRO 76 -14.990 -16.405 4.759 613 2HG PRO 76 HG1 PRO 76 -15.477 -16.676 6.443 614 1HD PRO 76 HD2 PRO 76 -13.145 -15.510 5.833 615 2HD PRO 76 HD1 PRO 76 -13.285 -16.615 7.214 616 H ASP 77 HN ASP 77 -11.258 -19.992 4.306 617 HA ASP 77 HA ASP 77 -10.828 -21.262 2.436 618 1HB ASP 77 HB2 ASP 77 -13.548 -21.210 2.304 619 2HB ASP 77 HB1 ASP 77 -13.122 -20.371 0.815 620 H ARG 78 HN ARG 78 -10.710 -18.124 2.842 621 HA ARG 78 HA ARG 78 -9.489 -17.674 0.217 622 1HB ARG 78 HB2 ARG 78 -11.902 -16.597 0.740 623 2HB ARG 78 HB1 ARG 78 -10.871 -15.346 1.421 624 1HG ARG 78 HG2 ARG 78 -9.860 -14.895 -0.643 625 2HG ARG 78 HG1 ARG 78 -10.448 -16.399 -1.355 626 1HD ARG 78 HD2 ARG 78 -11.626 -14.246 -2.039 627 2HD ARG 78 HD1 ARG 78 -12.643 -15.588 -1.524 628 HE ARG 78 HE ARG 78 -12.173 -13.093 -0.089 629 1HH1 ARG 78 1HH1 ARG 78 -13.652 -16.261 -0.127 630 2HH1 ARG 78 2HH1 ARG 78 -14.757 -15.892 1.153 631 1HH2 ARG 78 1HH2 ARG 78 -13.626 -12.617 1.592 632 2HH2 ARG 78 2HH2 ARG 78 -14.743 -13.827 2.127 633 H HIS 79 HN HIS 79 -7.395 -17.633 0.867 634 HA HIS 79 HA HIS 79 -6.558 -16.400 3.310 635 1HB HIS 79 HB2 HIS 79 -4.819 -17.207 0.975 636 2HB HIS 79 HB1 HIS 79 -4.323 -16.991 2.649 637 HD1 HIS 79 HD1 HIS 79 -7.166 -18.661 3.384 638 HD2 HIS 79 HD2 HIS 79 -3.770 -19.882 1.323 639 HE1 HIS 79 HE1 HIS 79 -7.147 -21.170 3.545 640 HE2 HIS 79 HE2 HIS 79 -5.130 -21.891 2.219 641 H ILE 80 HN ILE 80 -6.423 -14.275 3.608 642 HA ILE 80 HA ILE 80 -5.879 -12.559 1.294 643 HB ILE 80 HB ILE 80 -7.938 -11.920 2.248 644 1HG1 ILE 80 2HG1 ILE 80 -6.341 -9.959 3.775 645 2HG1 ILE 80 1HG1 ILE 80 -5.891 -10.161 2.086 646 1HG2 ILE 80 1HG2 ILE 80 -7.892 -13.119 4.308 647 2HG2 ILE 80 2HG2 ILE 80 -8.176 -11.419 4.685 648 3HG2 ILE 80 3HG2 ILE 80 -6.575 -12.120 4.926 649 1HD1 ILE 80 1HD1 ILE 80 -8.766 -9.822 2.667 650 2HD1 ILE 80 2HD1 ILE 80 -7.796 -9.212 1.326 651 3HD1 ILE 80 3HD1 ILE 80 -7.726 -8.417 2.898 652 H THR 81 HN THR 81 -3.802 -11.988 1.143 653 HA THR 81 HA THR 81 -2.234 -11.617 3.597 654 HB THR 81 HB THR 81 -0.503 -11.491 1.419 655 HG1 THR 81 HG1 THR 81 -1.068 -13.346 0.220 656 1HG2 THR 81 1HG2 THR 81 0.564 -13.051 2.564 657 2HG2 THR 81 2HG2 THR 81 -0.762 -14.195 2.354 658 3HG2 THR 81 3HG2 THR 81 -0.788 -13.050 3.696 659 H LEU 82 HN LEU 82 -1.534 -9.633 4.176 660 HA LEU 82 HA LEU 82 -1.659 -7.489 2.156 661 1HB LEU 82 HB2 LEU 82 -2.619 -7.470 5.003 662 2HB LEU 82 HB1 LEU 82 -2.214 -5.984 4.166 663 HG LEU 82 HG LEU 82 -4.202 -7.914 3.009 664 1HD1 LEU 82 1HD1 LEU 82 -5.803 -6.075 4.093 665 2HD1 LEU 82 2HD1 LEU 82 -4.525 -6.085 5.309 666 3HD1 LEU 82 3HD1 LEU 82 -5.377 -7.578 4.914 667 1HD2 LEU 82 1HD2 LEU 82 -4.670 -6.276 1.531 668 2HD2 LEU 82 2HD2 LEU 82 -3.046 -5.725 1.943 669 3HD2 LEU 82 3HD2 LEU 82 -4.449 -4.993 2.720 670 H TRP 83 HN TRP 83 0.333 -6.785 1.759 671 HA TRP 83 HA TRP 83 2.276 -6.728 3.974 672 1HB TRP 83 HB2 TRP 83 2.762 -6.905 0.993 673 2HB TRP 83 HB1 TRP 83 4.028 -6.759 2.207 674 HD1 TRP 83 HD1 TRP 83 0.993 -9.078 2.561 675 HE1 TRP 83 HE1 TRP 83 1.824 -11.505 2.661 676 HE3 TRP 83 HE3 TRP 83 5.943 -8.262 1.628 677 HZ2 TRP 83 HZ2 TRP 83 4.268 -12.898 2.381 678 HZ3 TRP 83 HZ3 TRP 83 7.466 -10.194 1.560 679 HH2 TRP 83 HH2 TRP 83 6.644 -12.464 1.930 680 H PHE 84 HN PHE 84 2.835 -4.810 4.707 681 HA PHE 84 HA PHE 84 2.343 -2.457 3.015 682 1HB PHE 84 HB2 PHE 84 2.489 -2.754 6.006 683 2HB PHE 84 HB1 PHE 84 2.630 -1.188 5.233 684 HD1 PHE 84 HD1 PHE 84 0.402 -3.796 3.919 685 HD2 PHE 84 HD2 PHE 84 0.687 -0.287 6.317 686 HE1 PHE 84 HE1 PHE 84 -2.044 -3.585 3.897 687 HE2 PHE 84 HE2 PHE 84 -1.760 -0.075 6.294 688 HZ PHE 84 HZ PHE 84 -3.130 -1.723 5.085 689 H TRP 85 HN TRP 85 4.071 -1.672 2.010 690 HA TRP 85 HA TRP 85 6.742 -2.173 3.078 691 1HB TRP 85 HB2 TRP 85 6.021 -0.902 0.435 692 2HB TRP 85 HB1 TRP 85 7.567 -1.602 0.901 693 HD1 TRP 85 HD1 TRP 85 4.183 -2.517 -0.506 694 HE1 TRP 85 HE1 TRP 85 4.165 -5.014 -1.131 695 HE3 TRP 85 HE3 TRP 85 8.602 -3.924 1.645 696 HZ2 TRP 85 HZ2 TRP 85 5.808 -7.279 -0.761 697 HZ3 TRP 85 HZ3 TRP 85 9.306 -6.275 1.464 698 HH2 TRP 85 HH2 TRP 85 7.936 -7.916 0.286 699 H LEU 86 HN LEU 86 8.283 -0.507 3.436 700 HA LEU 86 HA LEU 86 7.029 2.082 4.017 701 1HB LEU 86 HB2 LEU 86 8.114 0.970 5.885 702 2HB LEU 86 HB1 LEU 86 9.623 0.906 4.999 703 HG LEU 86 HG LEU 86 9.412 2.696 6.792 704 1HD1 LEU 86 1HD1 LEU 86 10.965 3.945 5.724 705 2HD1 LEU 86 2HD1 LEU 86 10.008 4.078 4.249 706 3HD1 LEU 86 3HD1 LEU 86 10.908 2.600 4.585 707 1HD2 LEU 86 1HD2 LEU 86 7.829 4.162 4.698 708 2HD2 LEU 86 2HD2 LEU 86 8.183 4.659 6.352 709 3HD2 LEU 86 3HD2 LEU 86 7.072 3.323 6.052 710 H VAL 87 HN VAL 87 7.126 3.322 2.292 711 HA VAL 87 HA VAL 87 9.366 3.416 0.474 712 HB VAL 87 HB VAL 87 7.072 5.319 0.600 713 1HG1 VAL 87 1HG1 VAL 87 7.708 4.766 -2.037 714 2HG1 VAL 87 2HG1 VAL 87 9.265 4.864 -1.217 715 3HG1 VAL 87 3HG1 VAL 87 8.136 6.213 -1.127 716 1HG2 VAL 87 1HG2 VAL 87 5.759 3.492 0.372 717 2HG2 VAL 87 2HG2 VAL 87 7.118 2.464 -0.100 718 3HG2 VAL 87 3HG2 VAL 87 6.336 3.505 -1.295 719 H GLU 88 HN GLU 88 10.788 5.147 0.154 720 HA GLU 88 HA GLU 88 10.834 6.958 2.453 721 1HB GLU 88 HB2 GLU 88 13.186 6.514 0.646 722 2HB GLU 88 HB1 GLU 88 13.170 7.086 2.307 723 1HG GLU 88 HG2 GLU 88 12.501 4.873 3.074 724 2HG GLU 88 HG1 GLU 88 12.486 4.296 1.408 725 H ARG 89 HN ARG 89 11.331 7.131 -1.118 726 HA ARG 89 HA ARG 89 10.277 9.792 -1.115 727 1HB ARG 89 HB2 ARG 89 12.230 10.984 -1.850 728 2HB ARG 89 HB1 ARG 89 12.578 10.201 -0.316 729 1HG ARG 89 HG2 ARG 89 13.963 8.609 -1.304 730 2HG ARG 89 HG1 ARG 89 13.317 8.917 -2.917 731 1HD ARG 89 HD2 ARG 89 14.829 10.995 -1.356 732 2HD ARG 89 HD1 ARG 89 15.632 9.834 -2.409 733 HE ARG 89 HE ARG 89 14.695 10.887 -4.269 734 1HH1 ARG 89 1HH1 ARG 89 13.628 12.396 -1.301 735 2HH1 ARG 89 2HH1 ARG 89 13.047 13.820 -2.093 736 1HH2 ARG 89 1HH2 ARG 89 13.927 12.760 -5.302 737 2HH2 ARG 89 2HH2 ARG 89 13.215 14.027 -4.360 738 H TRP 90 HN TRP 90 10.351 10.819 -3.307 739 HA TRP 90 HA TRP 90 10.678 8.888 -5.465 740 1HB TRP 90 HB2 TRP 90 8.513 9.300 -6.408 741 2HB TRP 90 HB1 TRP 90 8.295 8.824 -4.730 742 HD1 TRP 90 HD1 TRP 90 8.302 12.038 -6.892 743 HE1 TRP 90 HE1 TRP 90 6.651 13.702 -5.828 744 HE3 TRP 90 HE3 TRP 90 7.091 9.395 -2.694 745 HZ2 TRP 90 HZ2 TRP 90 5.040 13.864 -3.517 746 HZ3 TRP 90 HZ3 TRP 90 5.473 10.367 -1.111 747 HH2 TRP 90 HH2 TRP 90 4.471 12.558 -1.518 748 H GLU 91 HN GLU 91 11.433 9.706 -7.348 749 HA GLU 91 HA GLU 91 12.180 12.519 -7.326 750 1HB GLU 91 HB2 GLU 91 13.754 10.641 -7.984 751 2HB GLU 91 HB1 GLU 91 12.801 10.467 -9.451 752 1HG GLU 91 HG2 GLU 91 13.879 13.150 -8.753 753 2HG GLU 91 HG1 GLU 91 14.973 11.929 -9.404 754 H GLY 92 HN GLY 92 10.680 13.916 -7.997 755 1HA GLY 92 HA2 GLY 92 9.645 14.953 -9.908 756 2HA GLY 92 HA1 GLY 92 9.336 13.349 -10.557 757 H GLU 93 HN GLU 93 7.261 12.830 -10.524 758 HA GLU 93 HA GLU 93 5.670 13.549 -8.169 759 1HB GLU 93 HB2 GLU 93 5.356 15.038 -10.309 760 2HB GLU 93 HB1 GLU 93 4.408 13.669 -10.877 761 1HG GLU 93 HG2 GLU 93 2.701 14.110 -9.496 762 2HG GLU 93 HG1 GLU 93 3.760 14.568 -8.164 763 HA PRO 94 HA PRO 94 4.546 9.247 -8.548 764 1HB PRO 94 HB2 PRO 94 2.487 9.662 -6.558 765 2HB PRO 94 HB1 PRO 94 4.036 8.837 -6.379 766 1HG PRO 94 HG2 PRO 94 3.443 11.200 -5.157 767 2HG PRO 94 HG1 PRO 94 5.088 10.710 -5.598 768 1HD PRO 94 HD2 PRO 94 3.218 12.567 -7.024 769 2HD PRO 94 HD1 PRO 94 4.964 12.730 -6.732 770 H TRP 95 HN TRP 95 3.231 8.314 -10.011 771 HA TRP 95 HA TRP 95 0.525 9.393 -10.235 772 1HB TRP 95 HB2 TRP 95 0.602 9.202 -12.696 773 2HB TRP 95 HB1 TRP 95 1.712 10.405 -12.064 774 HD1 TRP 95 HD1 TRP 95 4.261 10.089 -12.574 775 HE1 TRP 95 HE1 TRP 95 5.579 8.521 -14.142 776 HE3 TRP 95 HE3 TRP 95 0.616 6.630 -13.498 777 HZ2 TRP 95 HZ2 TRP 95 5.106 6.150 -15.599 778 HZ3 TRP 95 HZ3 TRP 95 1.123 4.752 -14.999 779 HH2 TRP 95 HH2 TRP 95 3.327 4.511 -16.017 780 H GLY 96 HN GLY 96 2.562 6.761 -11.516 781 1HA GLY 96 HA2 GLY 96 1.958 4.583 -12.058 782 2HA GLY 96 HA1 GLY 96 1.447 4.593 -10.384 783 H LYS 97 HN LYS 97 -0.725 4.761 -9.868 784 HA LYS 97 HA LYS 97 -2.808 5.359 -11.620 785 1HB LYS 97 HB2 LYS 97 -1.714 2.996 -12.400 786 2HB LYS 97 HB1 LYS 97 -2.939 2.430 -11.272 787 1HG LYS 97 HG2 LYS 97 -3.545 4.330 -13.518 788 2HG LYS 97 HG1 LYS 97 -3.630 2.576 -13.688 789 1HD LYS 97 HD2 LYS 97 -5.357 2.416 -12.067 790 2HD LYS 97 HD1 LYS 97 -5.125 4.090 -11.558 791 1HE LYS 97 HE2 LYS 97 -6.003 3.300 -14.328 792 2HE LYS 97 HE1 LYS 97 -7.129 3.667 -13.021 793 1HZ LYS 97 HZ1 LYS 97 -5.061 5.647 -13.519 794 2HZ LYS 97 HZ2 LYS 97 -6.698 5.859 -13.146 795 3HZ LYS 97 HZ3 LYS 97 -6.233 5.487 -14.729 796 H GLU 98 HN GLU 98 -2.390 2.621 -9.392 797 HA GLU 98 HA GLU 98 -3.628 1.952 -7.597 798 1HB GLU 98 HB2 GLU 98 -3.791 4.135 -5.957 799 2HB GLU 98 HB1 GLU 98 -2.415 3.051 -6.069 800 1HG GLU 98 HG2 GLU 98 -1.235 4.531 -7.471 801 2HG GLU 98 HG1 GLU 98 -2.669 5.511 -7.767 802 H GLY 99 HN GLY 99 -5.187 3.097 -9.824 803 1HA GLY 99 HA2 GLY 99 -7.400 3.496 -10.270 804 2HA GLY 99 HA1 GLY 99 -7.727 3.009 -8.616 805 H GLN 100 HN GLN 100 -7.038 4.799 -6.960 806 HA GLN 100 HA GLN 100 -8.209 7.314 -7.944 807 1HB GLN 100 HB2 GLN 100 -8.116 6.144 -5.163 808 2HB GLN 100 HB1 GLN 100 -8.775 7.725 -5.556 809 1HG GLN 100 HG2 GLN 100 -10.618 6.850 -6.610 810 2HG GLN 100 HG1 GLN 100 -9.815 5.323 -6.974 811 1HE2 GLN 100 1HE2 GLN 100 -9.595 3.772 -5.322 812 2HE2 GLN 100 2HE2 GLN 100 -10.628 3.785 -3.937 813 HA PRO 101 HA PRO 101 -3.922 8.842 -7.680 814 1HB PRO 101 HB2 PRO 101 -5.664 11.204 -8.284 815 2HB PRO 101 HB1 PRO 101 -4.078 10.791 -8.949 816 1HG PRO 101 HG2 PRO 101 -6.240 10.334 -10.380 817 2HG PRO 101 HG1 PRO 101 -4.963 9.103 -10.307 818 1HD PRO 101 HD2 PRO 101 -7.619 9.162 -8.950 819 2HD PRO 101 HD1 PRO 101 -6.715 7.781 -9.603 820 H GLY 102 HN GLY 102 -2.858 9.998 -6.078 821 1HA GLY 102 HA2 GLY 102 -4.558 11.282 -4.030 822 2HA GLY 102 HA1 GLY 102 -3.274 10.172 -3.578 823 H GLU 103 HN GLU 103 -3.271 12.619 -2.474 824 HA GLU 103 HA GLU 103 -1.134 14.070 -3.899 825 1HB GLU 103 HB2 GLU 103 -1.869 16.099 -2.771 826 2HB GLU 103 HB1 GLU 103 -3.205 15.388 -3.666 827 1HG GLU 103 HG2 GLU 103 -3.033 14.491 -0.893 828 2HG GLU 103 HG1 GLU 103 -3.296 16.225 -1.073 829 H TRP 104 HN TRP 104 0.520 15.066 -2.524 830 HA TRP 104 HA TRP 104 1.429 13.247 -0.526 831 1HB TRP 104 HB2 TRP 104 2.761 15.836 -0.397 832 2HB TRP 104 HB1 TRP 104 3.424 14.260 -0.803 833 HD1 TRP 104 HD1 TRP 104 2.536 13.535 -3.532 834 HE1 TRP 104 HE1 TRP 104 2.879 15.018 -5.609 835 HE3 TRP 104 HE3 TRP 104 3.131 18.054 -1.216 836 HZ2 TRP 104 HZ2 TRP 104 3.341 17.741 -6.188 837 HZ3 TRP 104 HZ3 TRP 104 3.520 20.048 -2.604 838 HH2 TRP 104 HH2 TRP 104 3.622 19.894 -5.038 839 H MET 105 HN MET 105 0.387 13.085 1.343 840 HA MET 105 HA MET 105 -0.217 15.559 2.823 841 1HB MET 105 HB2 MET 105 -1.725 12.989 3.208 842 2HB MET 105 HB1 MET 105 -2.168 14.601 3.739 843 1HG MET 105 HG2 MET 105 -2.870 15.253 1.645 844 2HG MET 105 HG1 MET 105 -1.906 14.026 0.827 845 1HE MET 105 HE1 MET 105 -5.061 15.211 1.178 846 2HE MET 105 HE2 MET 105 -5.415 14.618 2.801 847 3HE MET 105 HE3 MET 105 -6.215 13.898 1.404 848 H SER 106 HN SER 106 -0.300 15.261 5.204 849 HA SER 106 HA SER 106 2.109 14.038 6.120 850 1HB SER 106 HB2 SER 106 0.163 15.896 7.144 851 2HB SER 106 HB1 SER 106 0.485 14.652 8.351 852 HG SER 106 HG SER 106 2.288 15.640 8.724 853 H LEU 107 HN LEU 107 2.367 11.944 6.518 854 HA LEU 107 HA LEU 107 0.100 10.197 6.828 855 1HB LEU 107 HB2 LEU 107 2.631 9.890 5.833 856 2HB LEU 107 HB1 LEU 107 2.751 9.078 7.383 857 HG LEU 107 HG LEU 107 2.170 7.580 5.474 858 1HD1 LEU 107 1HD1 LEU 107 -0.194 7.455 7.230 859 2HD1 LEU 107 2HD1 LEU 107 1.376 7.455 8.032 860 3HD1 LEU 107 3HD1 LEU 107 0.998 6.217 6.836 861 1HD2 LEU 107 1HD2 LEU 107 0.161 7.716 4.330 862 2HD2 LEU 107 2HD2 LEU 107 0.630 9.409 4.475 863 3HD2 LEU 107 3HD2 LEU 107 -0.586 8.736 5.559 864 H VAL 108 HN VAL 108 2.165 11.911 8.948 865 HA VAL 108 HA VAL 108 2.263 10.255 11.180 866 HB VAL 108 HB VAL 108 1.966 13.255 11.273 867 1HG1 VAL 108 1HG1 VAL 108 3.390 13.016 13.291 868 2HG1 VAL 108 2HG1 VAL 108 3.253 11.264 13.136 869 3HG1 VAL 108 3HG1 VAL 108 1.815 12.238 13.446 870 1HG2 VAL 108 1HG2 VAL 108 4.552 13.091 11.313 871 2HG2 VAL 108 2HG2 VAL 108 3.710 13.007 9.766 872 3HG2 VAL 108 3HG2 VAL 108 4.297 11.531 10.532 873 H GLY 109 HN GLY 109 -0.485 11.701 9.761 874 1HA GLY 109 HA2 GLY 109 -1.992 11.396 12.276 875 2HA GLY 109 HA1 GLY 109 -2.447 12.480 10.974 876 H LEU 110 HN LEU 110 -1.373 9.146 10.561 877 HA LEU 110 HA LEU 110 -3.538 8.475 8.885 878 1HB LEU 110 HB2 LEU 110 -1.197 7.361 9.199 879 2HB LEU 110 HB1 LEU 110 -2.007 6.415 10.432 880 HG LEU 110 HG LEU 110 -3.528 5.485 8.809 881 1HD1 LEU 110 1HD1 LEU 110 -3.084 6.044 6.352 882 2HD1 LEU 110 2HD1 LEU 110 -2.281 7.490 6.962 883 3HD1 LEU 110 3HD1 LEU 110 -3.988 7.216 7.311 884 1HD2 LEU 110 1HD2 LEU 110 -1.421 4.341 9.029 885 2HD2 LEU 110 2HD2 LEU 110 -0.664 5.434 7.872 886 3HD2 LEU 110 3HD2 LEU 110 -1.917 4.315 7.337 887 H ASN 111 HN ASN 111 -5.523 7.575 9.296 888 HA ASN 111 HA ASN 111 -6.130 6.991 12.113 889 1HB ASN 111 HB2 ASN 111 -7.267 8.965 10.412 890 2HB ASN 111 HB1 ASN 111 -8.505 7.764 10.758 891 1HD2 ASN 111 1HD2 ASN 111 -6.845 10.458 11.891 892 2HD2 ASN 111 2HD2 ASN 111 -7.434 10.453 13.515 893 H ALA 112 HN ALA 112 -7.054 5.149 12.604 894 HA ALA 112 HA ALA 112 -7.436 3.142 10.614 895 1HB ALA 112 HB1 ALA 112 -7.640 1.650 12.348 896 2HB ALA 112 HB2 ALA 112 -8.473 2.806 13.388 897 3HB ALA 112 HB3 ALA 112 -6.733 2.940 13.136 898 H ASP 113 HN ASP 113 -9.424 5.593 11.894 899 HA ASP 113 HA ASP 113 -11.934 4.234 11.597 900 1HB ASP 113 HB2 ASP 113 -11.176 6.405 13.014 901 2HB ASP 113 HB1 ASP 113 -11.890 7.193 11.610 902 H ASP 114 HN ASP 114 -10.251 6.783 9.761 903 HA ASP 114 HA ASP 114 -12.237 6.971 7.749 904 1HB ASP 114 HB2 ASP 114 -9.785 7.813 6.630 905 2HB ASP 114 HB1 ASP 114 -11.080 8.810 7.263 906 H PHE 115 HN PHE 115 -9.292 5.071 8.031 907 HA PHE 115 HA PHE 115 -9.418 4.119 5.321 908 1HB PHE 115 HB2 PHE 115 -7.346 3.271 5.729 909 2HB PHE 115 HB1 PHE 115 -7.417 4.295 7.165 910 HD1 PHE 115 HD1 PHE 115 -9.101 2.911 8.968 911 HD2 PHE 115 HD2 PHE 115 -6.257 1.313 6.256 912 HE1 PHE 115 HE1 PHE 115 -8.857 0.933 10.411 913 HE2 PHE 115 HE2 PHE 115 -6.005 -0.662 7.684 914 HZ PHE 115 HZ PHE 115 -7.307 -0.860 9.762 915 HA PRO 116 HA PRO 116 -11.865 0.474 5.899 916 1HB PRO 116 HB2 PRO 116 -10.544 -1.513 4.656 917 2HB PRO 116 HB1 PRO 116 -11.240 -0.153 3.767 918 1HG PRO 116 HG2 PRO 116 -8.404 -0.622 4.599 919 2HG PRO 116 HG1 PRO 116 -9.031 -0.001 3.062 920 1HD PRO 116 HD2 PRO 116 -8.022 1.589 5.045 921 2HD PRO 116 HD1 PRO 116 -9.231 2.135 3.869 922 HA PRO 117 HA PRO 117 -10.505 -1.463 9.688 923 1HB PRO 117 HB2 PRO 117 -12.434 -3.415 9.789 924 2HB PRO 117 HB1 PRO 117 -12.683 -1.742 10.300 925 1HG PRO 117 HG2 PRO 117 -13.403 -3.059 7.711 926 2HG PRO 117 HG1 PRO 117 -14.345 -1.915 8.686 927 1HD PRO 117 HD2 PRO 117 -13.024 -1.128 6.489 928 2HD PRO 117 HD1 PRO 117 -13.146 -0.083 7.921 929 H ALA 118 HN ALA 118 -10.648 -3.033 6.636 930 HA ALA 118 HA ALA 118 -9.900 -5.639 7.373 931 1HB ALA 118 HB1 ALA 118 -9.403 -5.999 5.077 932 2HB ALA 118 HB2 ALA 118 -9.202 -4.271 4.786 933 3HB ALA 118 HB3 ALA 118 -10.799 -4.925 5.154 934 H ASN 119 HN ASN 119 -8.078 -2.791 7.645 935 HA ASN 119 HA ASN 119 -5.624 -4.396 7.865 936 1HB ASN 119 HB2 ASN 119 -6.178 -2.239 5.995 937 2HB ASN 119 HB1 ASN 119 -4.750 -1.904 6.967 938 1HD2 ASN 119 1HD2 ASN 119 -3.183 -3.743 7.114 939 2HD2 ASN 119 2HD2 ASN 119 -2.897 -4.651 5.674 940 H GLU 120 HN GLU 120 -7.164 -3.677 10.087 941 HA GLU 120 HA GLU 120 -6.168 -1.251 11.230 942 1HB GLU 120 HB2 GLU 120 -7.162 -2.860 13.318 943 2HB GLU 120 HB1 GLU 120 -7.929 -1.492 12.544 944 1HG GLU 120 HG2 GLU 120 -9.196 -2.825 11.141 945 2HG GLU 120 HG1 GLU 120 -8.166 -4.235 11.384 946 HA PRO 121 HA PRO 121 -3.752 -4.616 14.038 947 1HB PRO 121 HB2 PRO 121 -3.113 -6.245 11.611 948 2HB PRO 121 HB1 PRO 121 -3.261 -6.755 13.297 949 1HG PRO 121 HG2 PRO 121 -5.227 -7.209 11.552 950 2HG PRO 121 HG1 PRO 121 -5.575 -6.763 13.232 951 1HD PRO 121 HD2 PRO 121 -5.849 -5.155 10.755 952 2HD PRO 121 HD1 PRO 121 -6.739 -5.041 12.285 953 H VAL 122 HN VAL 122 -3.018 -3.875 10.654 954 HA VAL 122 HA VAL 122 -0.212 -3.522 11.136 955 HB VAL 122 HB VAL 122 -1.625 -2.419 8.731 956 1HG1 VAL 122 1HG1 VAL 122 0.404 -2.610 7.673 957 2HG1 VAL 122 2HG1 VAL 122 0.945 -3.928 8.713 958 3HG1 VAL 122 3HG1 VAL 122 0.922 -2.274 9.326 959 1HG2 VAL 122 1HG2 VAL 122 -1.266 -4.715 7.702 960 2HG2 VAL 122 2HG2 VAL 122 -2.613 -4.553 8.830 961 3HG2 VAL 122 3HG2 VAL 122 -1.111 -5.312 9.355 962 H ILE 123 HN ILE 123 -2.944 -1.354 10.448 963 HA ILE 123 HA ILE 123 -1.472 1.045 10.649 964 HB ILE 123 HB ILE 123 -4.424 0.546 11.049 965 1HG1 ILE 123 2HG1 ILE 123 -3.305 0.073 8.785 966 2HG1 ILE 123 1HG1 ILE 123 -4.705 1.138 8.789 967 1HG2 ILE 123 1HG2 ILE 123 -3.919 2.588 12.157 968 2HG2 ILE 123 2HG2 ILE 123 -4.624 3.007 10.596 969 3HG2 ILE 123 3HG2 ILE 123 -2.880 3.119 10.833 970 1HD1 ILE 123 1HD1 ILE 123 -1.819 1.942 8.588 971 2HD1 ILE 123 2HD1 ILE 123 -3.160 3.076 8.768 972 3HD1 ILE 123 3HD1 ILE 123 -3.057 2.052 7.336 973 H ALA 124 HN ALA 124 -2.977 -1.026 13.023 974 HA ALA 124 HA ALA 124 -3.177 0.735 15.175 975 1HB ALA 124 HB1 ALA 124 -3.838 -1.814 14.870 976 2HB ALA 124 HB2 ALA 124 -3.586 -1.103 16.464 977 3HB ALA 124 HB3 ALA 124 -2.307 -2.055 15.710 978 H LYS 125 HN LYS 125 -0.420 -0.858 13.766 979 HA LYS 125 HA LYS 125 1.348 -0.316 15.970 980 1HB LYS 125 HB2 LYS 125 1.413 -1.953 13.710 981 2HB LYS 125 HB1 LYS 125 2.691 -0.774 13.441 982 1HG LYS 125 HG2 LYS 125 2.602 -1.967 16.131 983 2HG LYS 125 HG1 LYS 125 3.016 -3.064 14.811 984 1HD LYS 125 HD2 LYS 125 4.792 -1.520 14.103 985 2HD LYS 125 HD1 LYS 125 4.385 -0.450 15.445 986 1HE LYS 125 HE2 LYS 125 5.035 -3.312 15.989 987 2HE LYS 125 HE1 LYS 125 6.341 -2.172 15.668 988 1HZ LYS 125 HZ1 LYS 125 4.510 -2.307 17.946 989 2HZ LYS 125 HZ2 LYS 125 5.047 -0.780 17.457 990 3HZ LYS 125 HZ3 LYS 125 6.167 -1.965 17.912 991 H LEU 126 HN LEU 126 0.934 1.061 12.710 992 HA LEU 126 HA LEU 126 2.896 3.107 13.159 993 1HB LEU 126 HB2 LEU 126 2.026 1.977 10.930 994 2HB LEU 126 HB1 LEU 126 0.880 3.302 10.974 995 HG LEU 126 HG LEU 126 2.745 3.910 9.577 996 1HD1 LEU 126 1HD1 LEU 126 3.081 6.019 10.399 997 2HD1 LEU 126 2HD1 LEU 126 3.309 5.459 12.055 998 3HD1 LEU 126 3HD1 LEU 126 1.690 5.518 11.360 999 1HD2 LEU 126 1HD2 LEU 126 4.661 2.842 10.065 1000 2HD2 LEU 126 2HD2 LEU 126 4.294 2.751 11.787 1001 3HD2 LEU 126 3HD2 LEU 126 4.961 4.234 11.105 1002 H LYS 127 HN LYS 127 -0.565 2.834 13.452 1003 HA LYS 127 HA LYS 127 -1.337 5.500 13.423 1004 1HB LYS 127 HB2 LYS 127 -2.892 3.624 13.496 1005 2HB LYS 127 HB1 LYS 127 -2.417 3.268 15.144 1006 1HG LYS 127 HG2 LYS 127 -3.420 5.220 15.970 1007 2HG LYS 127 HG1 LYS 127 -3.576 5.921 14.357 1008 1HD LYS 127 HD2 LYS 127 -5.697 5.177 14.494 1009 2HD LYS 127 HD1 LYS 127 -4.985 3.621 14.063 1010 1HE LYS 127 HE2 LYS 127 -5.319 2.757 16.116 1011 2HE LYS 127 HE1 LYS 127 -4.916 4.270 16.928 1012 1HZ LYS 127 HZ1 LYS 127 -7.479 3.856 15.500 1013 2HZ LYS 127 HZ2 LYS 127 -7.084 5.086 16.592 1014 3HZ LYS 127 HZ3 LYS 127 -7.282 3.499 17.142 1015 H ARG 128 HN ARG 128 -0.073 3.539 16.071 1016 HA ARG 128 HA ARG 128 -0.303 5.565 18.051 1017 1HB ARG 128 HB2 ARG 128 -0.057 3.089 18.481 1018 2HB ARG 128 HB1 ARG 128 1.632 3.244 18.022 1019 1HG ARG 128 HG2 ARG 128 1.770 5.026 19.857 1020 2HG ARG 128 HG1 ARG 128 0.228 4.374 20.414 1021 1HD ARG 128 HD2 ARG 128 1.159 2.457 21.167 1022 2HD ARG 128 HD1 ARG 128 2.336 2.391 19.857 1023 HE ARG 128 HE ARG 128 3.832 3.519 21.179 1024 1HH1 ARG 128 1HH1 ARG 128 0.655 3.738 22.608 1025 2HH1 ARG 128 2HH1 ARG 128 1.231 4.436 24.084 1026 1HH2 ARG 128 1HH2 ARG 128 4.590 4.437 23.120 1027 2HH2 ARG 128 2HH2 ARG 128 3.464 4.833 24.375 1028 H LEU 129 HN LEU 129 1.604 5.316 15.333 1029 HA LEU 129 HA LEU 129 3.439 6.411 14.563 1030 1HB LEU 129 HB2 LEU 129 2.960 8.266 16.887 1031 2HB LEU 129 HB1 LEU 129 3.849 8.632 15.421 1032 HG LEU 129 HG LEU 129 0.907 7.974 15.441 1033 1HD1 LEU 129 1HD1 LEU 129 0.390 10.260 15.482 1034 2HD1 LEU 129 2HD1 LEU 129 2.072 10.733 15.241 1035 3HD1 LEU 129 3HD1 LEU 129 1.562 10.035 16.779 1036 1HD2 LEU 129 1HD2 LEU 129 2.554 9.414 13.374 1037 2HD2 LEU 129 2HD2 LEU 129 0.893 8.841 13.226 1038 3HD2 LEU 129 3HD2 LEU 129 2.220 7.683 13.324 1039 1HO1 MO2 130 1HO1 MO2 130 -3.799 -0.022 -7.859 1040 2HO1 MO2 130 2HO1 MO2 130 -5.201 -2.442 -10.643 1041 1HO2 MO2 130 1HO2 MO2 130 -4.959 -0.541 -8.677 1042 2HO2 MO2 130 2HO2 MO2 130 -4.438 -3.701 -10.988 1043 1H5* 8OG 131 1H5* ODG 131 -7.002 -6.415 -2.903 1044 2H5* 8OG 131 2H5* ODG 131 -7.036 -7.722 -4.054 1045 H4* 8OG 131 1H4* ODG 131 -7.576 -8.529 -1.841 1046 H3* 8OG 131 1H3* ODG 131 -9.291 -8.853 -4.070 1047 1H2* 8OG 131 1H2* ODG 131 -11.342 -8.554 -3.228 1048 2H2* 8OG 131 2H2* ODG 131 -10.994 -9.680 -1.935 1049 H1* 8OG 131 1H1* ODG 131 -10.779 -8.036 -0.471 1050 H1 8OG 131 H1 ODG 131 -15.121 -4.461 1.533 1051 H7 8OG 131 H7 ODG 131 -13.338 -4.481 -3.125 1052 1H2 8OG 131 H21 ODG 131 -13.218 -6.841 3.252 1053 2H2 8OG 131 H22 ODG 131 -14.499 -5.677 3.336 1054 H3T 8OG 131 *HO1 ODG 131 -9.435 -11.009 -3.211 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -10.211 -24.081 -3.143 2 2H MET 1 HT2 MET 1 -11.060 -22.793 -2.394 3 3H MET 1 HT3 MET 1 -10.682 -24.209 -1.501 4 HA MET 1 HA MET 1 -9.153 -22.692 -0.793 5 1HB MET 1 HB2 MET 1 -8.416 -24.976 -2.038 6 2HB MET 1 HB1 MET 1 -7.491 -23.812 -2.977 7 1HG MET 1 HG2 MET 1 -5.960 -23.732 -1.390 8 2HG MET 1 HG1 MET 1 -7.168 -23.165 -0.238 9 1HE MET 1 HE1 MET 1 -4.514 -25.898 -0.635 10 2HE MET 1 HE2 MET 1 -5.605 -26.150 -1.998 11 3HE MET 1 HE3 MET 1 -5.479 -27.370 -0.730 12 H LYS 2 HN LYS 2 -9.711 -20.561 -1.296 13 HA LYS 2 HA LYS 2 -8.605 -19.497 -3.806 14 1HB LYS 2 HB2 LYS 2 -11.125 -19.222 -2.998 15 2HB LYS 2 HB1 LYS 2 -10.434 -17.873 -2.107 16 1HG LYS 2 HG2 LYS 2 -10.958 -16.769 -4.003 17 2HG LYS 2 HG1 LYS 2 -9.375 -17.370 -4.503 18 1HD LYS 2 HD2 LYS 2 -11.626 -19.206 -4.976 19 2HD LYS 2 HD1 LYS 2 -11.657 -17.716 -5.922 20 1HE LYS 2 HE2 LYS 2 -9.668 -18.207 -7.000 21 2HE LYS 2 HE1 LYS 2 -9.138 -19.314 -5.736 22 1HZ LYS 2 HZ1 LYS 2 -9.741 -20.662 -7.530 23 2HZ LYS 2 HZ2 LYS 2 -11.151 -19.784 -7.852 24 3HZ LYS 2 HZ3 LYS 2 -11.060 -20.763 -6.475 25 H LYS 3 HN LYS 3 -6.971 -18.079 -3.755 26 HA LYS 3 HA LYS 3 -6.242 -16.890 -1.162 27 1HB LYS 3 HB2 LYS 3 -3.878 -17.185 -1.723 28 2HB LYS 3 HB1 LYS 3 -4.712 -18.733 -1.676 29 1HG LYS 3 HG2 LYS 3 -4.905 -18.609 -4.165 30 2HG LYS 3 HG1 LYS 3 -3.866 -17.184 -4.111 31 1HD LYS 3 HD2 LYS 3 -2.210 -18.695 -4.364 32 2HD LYS 3 HD1 LYS 3 -2.413 -18.914 -2.625 33 1HE LYS 3 HE2 LYS 3 -4.108 -20.710 -3.191 34 2HE LYS 3 HE1 LYS 3 -3.532 -20.596 -4.854 35 1HZ LYS 3 HZ1 LYS 3 -1.603 -21.616 -4.350 36 2HZ LYS 3 HZ2 LYS 3 -2.502 -22.261 -3.070 37 3HZ LYS 3 HZ3 LYS 3 -1.492 -20.929 -2.808 38 H LEU 4 HN LEU 4 -5.533 -14.787 -1.187 39 HA LEU 4 HA LEU 4 -5.143 -13.454 -3.749 40 1HB LEU 4 HB2 LEU 4 -6.739 -11.708 -3.291 41 2HB LEU 4 HB1 LEU 4 -7.549 -13.264 -3.267 42 HG LEU 4 HG LEU 4 -6.988 -12.984 -0.635 43 1HD1 LEU 4 1HD1 LEU 4 -7.816 -10.213 -1.350 44 2HD1 LEU 4 2HD1 LEU 4 -6.103 -10.631 -1.355 45 3HD1 LEU 4 3HD1 LEU 4 -7.052 -10.819 0.120 46 1HD2 LEU 4 1HD2 LEU 4 -9.350 -12.058 -0.473 47 2HD2 LEU 4 2HD2 LEU 4 -9.150 -13.576 -1.349 48 3HD2 LEU 4 3HD2 LEU 4 -9.359 -12.066 -2.236 49 H GLN 5 HN GLN 5 -3.317 -12.373 -3.577 50 HA GLN 5 HA GLN 5 -2.445 -11.406 -0.960 51 1HB GLN 5 HB2 GLN 5 -0.842 -11.678 -3.499 52 2HB GLN 5 HB1 GLN 5 -0.215 -11.317 -1.896 53 1HG GLN 5 HG2 GLN 5 -1.249 -13.555 -1.212 54 2HG GLN 5 HG1 GLN 5 -1.358 -13.871 -2.935 55 1HE2 GLN 5 1HE2 GLN 5 0.991 -12.653 -3.782 56 2HE2 GLN 5 2HE2 GLN 5 2.336 -13.551 -3.173 57 H ILE 6 HN ILE 6 -1.585 -9.352 -0.694 58 HA ILE 6 HA ILE 6 -2.015 -7.370 -2.794 59 HB ILE 6 HB ILE 6 -3.179 -7.164 -0.009 60 1HG1 ILE 6 2HG1 ILE 6 -4.937 -6.592 -2.258 61 2HG1 ILE 6 1HG1 ILE 6 -4.282 -8.222 -2.339 62 1HG2 ILE 6 1HG2 ILE 6 -2.904 -5.103 -2.178 63 2HG2 ILE 6 2HG2 ILE 6 -2.282 -5.038 -0.530 64 3HG2 ILE 6 3HG2 ILE 6 -4.018 -4.942 -0.821 65 1HD1 ILE 6 1HD1 ILE 6 -6.092 -7.004 -0.326 66 2HD1 ILE 6 2HD1 ILE 6 -5.009 -8.303 0.173 67 3HD1 ILE 6 3HD1 ILE 6 -6.176 -8.576 -1.121 68 H ALA 7 HN ALA 7 -0.325 -5.995 -2.887 69 HA ALA 7 HA ALA 7 1.367 -5.729 -0.479 70 1HB ALA 7 HB1 ALA 7 2.120 -6.406 -3.262 71 2HB ALA 7 HB2 ALA 7 2.856 -6.897 -1.738 72 3HB ALA 7 HB3 ALA 7 3.175 -5.293 -2.399 73 H VAL 8 HN VAL 8 1.554 -3.683 0.200 74 HA VAL 8 HA VAL 8 0.960 -1.559 -1.745 75 HB VAL 8 HB VAL 8 -0.440 -0.567 -0.335 76 1HG1 VAL 8 1HG1 VAL 8 -0.076 -3.131 1.196 77 2HG1 VAL 8 2HG1 VAL 8 -1.305 -2.754 -0.010 78 3HG1 VAL 8 3HG1 VAL 8 -1.332 -1.947 1.558 79 1HG2 VAL 8 1HG2 VAL 8 1.302 0.439 0.962 80 2HG2 VAL 8 2HG2 VAL 8 1.573 -1.059 1.853 81 3HG2 VAL 8 3HG2 VAL 8 0.073 -0.162 2.077 82 H GLY 9 HN GLY 9 1.937 0.540 -1.315 83 1HA GLY 9 HA2 GLY 9 4.409 0.514 0.223 84 2HA GLY 9 HA1 GLY 9 4.571 0.724 -1.507 85 H ILE 10 HN ILE 10 3.873 2.206 1.445 86 HA ILE 10 HA ILE 10 2.543 4.536 0.486 87 HB ILE 10 HB ILE 10 3.781 5.343 2.802 88 1HG1 ILE 10 2HG1 ILE 10 3.061 2.449 3.241 89 2HG1 ILE 10 1HG1 ILE 10 4.718 3.018 3.049 90 1HG2 ILE 10 1HG2 ILE 10 1.219 4.879 1.900 91 2HG2 ILE 10 2HG2 ILE 10 1.670 5.632 3.429 92 3HG2 ILE 10 3HG2 ILE 10 1.335 3.902 3.363 93 1HD1 ILE 10 1HD1 ILE 10 4.791 3.415 5.218 94 2HD1 ILE 10 2HD1 ILE 10 3.096 2.959 5.386 95 3HD1 ILE 10 3HD1 ILE 10 3.528 4.630 5.023 96 H ILE 11 HN ILE 11 3.507 5.897 -0.909 97 HA ILE 11 HA ILE 11 6.327 6.108 -1.157 98 HB ILE 11 HB ILE 11 5.393 8.337 -2.422 99 1HG1 ILE 11 2HG1 ILE 11 3.035 7.394 -1.795 100 2HG1 ILE 11 1HG1 ILE 11 3.325 8.057 -3.396 101 1HG2 ILE 11 1HG2 ILE 11 5.676 7.080 -4.475 102 2HG2 ILE 11 2HG2 ILE 11 5.588 5.568 -3.572 103 3HG2 ILE 11 3HG2 ILE 11 6.936 6.676 -3.309 104 1HD1 ILE 11 1HD1 ILE 11 3.869 5.204 -3.240 105 2HD1 ILE 11 2HD1 ILE 11 2.896 6.120 -4.393 106 3HD1 ILE 11 3HD1 ILE 11 2.203 5.628 -2.848 107 H ARG 12 HN ARG 12 7.623 7.166 0.207 108 HA ARG 12 HA ARG 12 6.552 9.203 1.960 109 1HB ARG 12 HB2 ARG 12 9.117 7.717 1.728 110 2HB ARG 12 HB1 ARG 12 9.182 9.304 2.477 111 1HG ARG 12 HG2 ARG 12 7.071 7.471 3.432 112 2HG ARG 12 HG1 ARG 12 8.736 7.068 3.851 113 1HD ARG 12 HD2 ARG 12 8.905 9.543 4.573 114 2HD ARG 12 HD1 ARG 12 7.142 9.501 4.569 115 HE ARG 12 HE ARG 12 7.219 8.325 6.520 116 1HH1 ARG 12 1HH1 ARG 12 10.324 8.050 4.950 117 2HH1 ARG 12 2HH1 ARG 12 11.059 7.210 6.274 118 1HH2 ARG 12 1HH2 ARG 12 8.185 7.222 8.263 119 2HH2 ARG 12 2HH2 ARG 12 9.845 6.739 8.155 120 H ASN 13 HN ASN 13 6.772 11.340 1.755 121 HA ASN 13 HA ASN 13 7.753 12.359 -0.750 122 1HB ASN 13 HB2 ASN 13 6.587 14.316 -0.321 123 2HB ASN 13 HB1 ASN 13 5.610 13.093 0.460 124 1HD2 ASN 13 1HD2 ASN 13 5.553 15.848 1.034 125 2HD2 ASN 13 2HD2 ASN 13 6.070 16.059 2.670 126 H GLU 14 HN GLU 14 8.518 14.797 -0.302 127 HA GLU 14 HA GLU 14 11.247 14.639 0.117 128 1HB GLU 14 HB2 GLU 14 10.381 16.382 -1.224 129 2HB GLU 14 HB1 GLU 14 9.335 16.957 0.069 130 1HG GLU 14 HG2 GLU 14 11.097 17.970 1.203 131 2HG GLU 14 HG1 GLU 14 12.316 17.018 0.358 132 H ASN 15 HN ASN 15 8.829 14.855 2.506 133 HA ASN 15 HA ASN 15 10.897 15.500 4.494 134 1HB ASN 15 HB2 ASN 15 9.438 17.429 4.265 135 2HB ASN 15 HB1 ASN 15 8.017 16.422 4.517 136 1HD2 ASN 15 1HD2 ASN 15 7.188 16.916 6.413 137 2HD2 ASN 15 2HD2 ASN 15 8.064 17.099 7.890 138 H ASN 16 HN ASN 16 7.502 14.652 5.011 139 HA ASN 16 HA ASN 16 8.184 11.961 5.829 140 1HB ASN 16 HB2 ASN 16 8.115 14.067 7.737 141 2HB ASN 16 HB1 ASN 16 6.744 13.007 8.037 142 1HD2 ASN 16 1HD2 ASN 16 7.130 11.405 9.367 143 2HD2 ASN 16 2HD2 ASN 16 8.657 10.645 9.638 144 H GLU 17 HN GLU 17 6.290 13.613 4.052 145 HA GLU 17 HA GLU 17 3.730 12.522 4.972 146 1HB GLU 17 HB2 GLU 17 4.204 14.396 2.655 147 2HB GLU 17 HB1 GLU 17 2.676 14.037 3.440 148 1HG GLU 17 HG2 GLU 17 3.734 15.037 5.541 149 2HG GLU 17 HG1 GLU 17 4.963 15.681 4.455 150 H ILE 18 HN ILE 18 2.351 11.452 3.326 151 HA ILE 18 HA ILE 18 3.911 10.220 1.173 152 HB ILE 18 HB ILE 18 3.980 8.590 2.888 153 1HG1 ILE 18 2HG1 ILE 18 3.074 8.016 0.435 154 2HG1 ILE 18 1HG1 ILE 18 3.300 6.785 1.664 155 1HG2 ILE 18 1HG2 ILE 18 0.991 8.797 3.158 156 2HG2 ILE 18 2HG2 ILE 18 2.159 9.548 4.243 157 3HG2 ILE 18 3HG2 ILE 18 2.081 7.792 4.111 158 1HD1 ILE 18 1HD1 ILE 18 0.894 6.991 2.222 159 2HD1 ILE 18 2HD1 ILE 18 1.207 6.436 0.577 160 3HD1 ILE 18 3HD1 ILE 18 0.728 8.106 0.868 161 H PHE 19 HN PHE 19 2.814 9.626 -0.647 162 HA PHE 19 HA PHE 19 0.294 10.975 -1.078 163 1HB PHE 19 HB2 PHE 19 1.746 11.300 -2.867 164 2HB PHE 19 HB1 PHE 19 2.348 9.651 -2.812 165 HD1 PHE 19 HD1 PHE 19 -0.519 11.751 -3.823 166 HD2 PHE 19 HD2 PHE 19 1.395 7.963 -4.146 167 HE1 PHE 19 HE1 PHE 19 -2.019 11.151 -5.679 168 HE2 PHE 19 HE2 PHE 19 -0.105 7.357 -5.999 169 HZ PHE 19 HZ PHE 19 -1.815 8.953 -6.767 170 H ILE 20 HN ILE 20 -1.195 9.760 0.113 171 HA ILE 20 HA ILE 20 -1.674 7.020 -0.836 172 HB ILE 20 HB ILE 20 -3.215 7.280 1.404 173 1HG1 ILE 20 2HG1 ILE 20 -0.606 8.675 2.009 174 2HG1 ILE 20 1HG1 ILE 20 -2.180 9.455 1.947 175 1HG2 ILE 20 1HG2 ILE 20 -0.908 6.187 2.401 176 2HG2 ILE 20 2HG2 ILE 20 -0.742 5.946 0.663 177 3HG2 ILE 20 3HG2 ILE 20 -2.159 5.323 1.509 178 1HD1 ILE 20 1HD1 ILE 20 -1.876 9.123 4.200 179 2HD1 ILE 20 2HD1 ILE 20 -1.085 7.564 3.972 180 3HD1 ILE 20 3HD1 ILE 20 -2.827 7.709 3.748 181 H THR 21 HN THR 21 -4.012 6.404 -0.898 182 HA THR 21 HA THR 21 -5.542 8.489 -2.183 183 HB THR 21 HB THR 21 -5.763 6.375 -3.216 184 HG1 THR 21 HG1 THR 21 -7.789 7.562 -2.670 185 1HG2 THR 21 1HG2 THR 21 -6.297 5.261 -0.481 186 2HG2 THR 21 2HG2 THR 21 -5.007 4.832 -1.604 187 3HG2 THR 21 3HG2 THR 21 -6.676 4.393 -1.969 188 H ARG 22 HN ARG 22 -7.121 9.695 -1.284 189 HA ARG 22 HA ARG 22 -8.401 8.786 1.170 190 1HB ARG 22 HB2 ARG 22 -7.960 10.881 2.356 191 2HB ARG 22 HB1 ARG 22 -6.464 10.044 1.969 192 1HG ARG 22 HG2 ARG 22 -5.821 11.615 0.422 193 2HG ARG 22 HG1 ARG 22 -7.472 12.159 0.128 194 1HD ARG 22 HD2 ARG 22 -6.592 12.547 2.883 195 2HD ARG 22 HD1 ARG 22 -5.619 13.429 1.707 196 HE ARG 22 HE ARG 22 -8.140 14.011 0.950 197 1HH1 ARG 22 1HH1 ARG 22 -6.502 14.169 4.028 198 2HH1 ARG 22 2HH1 ARG 22 -7.458 15.491 4.610 199 1HH2 ARG 22 1HH2 ARG 22 -9.397 15.750 1.713 200 2HH2 ARG 22 2HH2 ARG 22 -9.101 16.389 3.295 201 H ARG 23 HN ARG 23 -10.503 9.222 1.159 202 HA ARG 23 HA ARG 23 -12.531 9.887 0.329 203 1HB ARG 23 HB2 ARG 23 -10.967 12.305 0.981 204 2HB ARG 23 HB1 ARG 23 -12.386 12.575 -0.020 205 1HG ARG 23 HG2 ARG 23 -13.658 12.518 1.786 206 2HG ARG 23 HG1 ARG 23 -13.167 10.847 2.072 207 1HD ARG 23 HD2 ARG 23 -12.527 11.847 4.042 208 2HD ARG 23 HD1 ARG 23 -11.039 11.954 3.103 209 HE ARG 23 HE ARG 23 -12.274 14.291 2.552 210 1HH1 ARG 23 1HH1 ARG 23 -11.495 12.667 5.541 211 2HH1 ARG 23 2HH1 ARG 23 -11.320 14.136 6.440 212 1HH2 ARG 23 1HH2 ARG 23 -12.046 16.225 3.733 213 2HH2 ARG 23 2HH2 ARG 23 -11.634 16.156 5.414 214 H ALA 24 HN ALA 24 -10.514 9.124 -1.679 215 HA ALA 24 HA ALA 24 -11.233 10.844 -3.935 216 1HB ALA 24 HB1 ALA 24 -8.989 9.009 -3.350 217 2HB ALA 24 HB2 ALA 24 -8.993 10.585 -4.142 218 3HB ALA 24 HB3 ALA 24 -9.497 9.148 -5.033 219 H ALA 25 HN ALA 25 -13.166 9.051 -2.748 220 HA ALA 25 HA ALA 25 -14.025 7.719 -5.154 221 1HB ALA 25 HB1 ALA 25 -12.948 6.193 -2.845 222 2HB ALA 25 HB2 ALA 25 -12.892 5.830 -4.570 223 3HB ALA 25 HB3 ALA 25 -14.378 5.557 -3.659 224 H ASP 26 HN ASP 26 -15.278 9.779 -4.101 225 HA ASP 26 HA ASP 26 -17.094 9.382 -2.028 226 1HB ASP 26 HB2 ASP 26 -18.452 11.175 -3.218 227 2HB ASP 26 HB1 ASP 26 -16.790 11.597 -2.819 228 H ALA 27 HN ALA 27 -19.419 9.064 -2.125 229 HA ALA 27 HA ALA 27 -21.260 7.833 -2.644 230 1HB ALA 27 HB1 ALA 27 -21.328 9.266 -4.610 231 2HB ALA 27 HB2 ALA 27 -21.862 7.633 -5.011 232 3HB ALA 27 HB3 ALA 27 -20.244 8.168 -5.465 233 H HIS 28 HN HIS 28 -18.743 6.484 -2.024 234 HA HIS 28 HA HIS 28 -19.522 3.830 -2.857 235 1HB HIS 28 HB2 HIS 28 -16.939 5.088 -3.753 236 2HB HIS 28 HB1 HIS 28 -17.090 3.343 -3.567 237 HD1 HIS 28 HD1 HIS 28 -19.943 3.012 -4.747 238 HD2 HIS 28 HD2 HIS 28 -16.907 5.258 -6.481 239 HE1 HIS 28 HE1 HIS 28 -20.516 3.144 -7.192 240 HE2 HIS 28 HE2 HIS 28 -18.713 4.584 -8.205 241 H MET 29 HN MET 29 -16.804 5.624 -1.395 242 HA MET 29 HA MET 29 -17.216 4.588 1.188 243 1HB MET 29 HB2 MET 29 -15.079 3.185 1.248 244 2HB MET 29 HB1 MET 29 -16.490 2.468 0.482 245 1HG MET 29 HG2 MET 29 -15.111 3.822 -1.547 246 2HG MET 29 HG1 MET 29 -13.889 2.975 -0.601 247 1HE MET 29 HE1 MET 29 -15.292 1.454 -4.067 248 2HE MET 29 HE2 MET 29 -13.727 1.055 -3.360 249 3HE MET 29 HE3 MET 29 -14.283 2.729 -3.383 250 H ALA 30 HN ALA 30 -16.648 6.399 2.204 251 HA ALA 30 HA ALA 30 -14.381 7.970 1.303 252 1HB ALA 30 HB1 ALA 30 -16.032 9.427 1.897 253 2HB ALA 30 HB2 ALA 30 -15.165 9.331 3.431 254 3HB ALA 30 HB3 ALA 30 -16.637 8.389 3.188 255 H ASN 31 HN ASN 31 -15.030 5.548 3.641 256 HA ASN 31 HA ASN 31 -12.739 6.281 5.280 257 1HB ASN 31 HB2 ASN 31 -13.720 3.921 6.307 258 2HB ASN 31 HB1 ASN 31 -14.139 5.531 6.868 259 1HD2 ASN 31 1HD2 ASN 31 -15.133 2.813 4.928 260 2HD2 ASN 31 2HD2 ASN 31 -16.803 3.243 4.829 261 H LYS 32 HN LYS 32 -12.371 5.376 2.539 262 HA LYS 32 HA LYS 32 -11.039 2.801 2.983 263 1HB LYS 32 HB2 LYS 32 -12.705 3.703 0.889 264 2HB LYS 32 HB1 LYS 32 -11.088 3.549 0.215 265 1HG LYS 32 HG2 LYS 32 -11.160 1.225 1.449 266 2HG LYS 32 HG1 LYS 32 -12.902 1.461 1.293 267 1HD LYS 32 HD2 LYS 32 -12.857 0.988 -0.889 268 2HD LYS 32 HD1 LYS 32 -11.507 2.088 -1.170 269 1HE LYS 32 HE2 LYS 32 -10.288 0.019 0.126 270 2HE LYS 32 HE1 LYS 32 -11.530 -0.819 -0.803 271 1HZ LYS 32 HZ1 LYS 32 -10.619 0.722 -2.697 272 2HZ LYS 32 HZ2 LYS 32 -9.859 -0.742 -2.325 273 3HZ LYS 32 HZ3 LYS 32 -9.220 0.713 -1.745 274 H LEU 33 HN LEU 33 -10.019 5.444 3.705 275 HA LEU 33 HA LEU 33 -8.050 6.374 1.957 276 1HB LEU 33 HB2 LEU 33 -8.919 7.354 4.191 277 2HB LEU 33 HB1 LEU 33 -7.684 6.358 4.936 278 HG LEU 33 HG LEU 33 -7.164 8.495 2.873 279 1HD1 LEU 33 1HD1 LEU 33 -6.893 8.491 5.868 280 2HD1 LEU 33 2HD1 LEU 33 -7.865 9.571 4.869 281 3HD1 LEU 33 3HD1 LEU 33 -6.104 9.669 4.820 282 1HD2 LEU 33 1HD2 LEU 33 -4.792 8.163 3.720 283 2HD2 LEU 33 2HD2 LEU 33 -5.449 6.897 2.683 284 3HD2 LEU 33 3HD2 LEU 33 -5.371 6.655 4.429 285 H GLU 34 HN GLU 34 -7.258 4.316 1.074 286 HA GLU 34 HA GLU 34 -5.330 2.969 2.838 287 1HB GLU 34 HB2 GLU 34 -7.305 1.855 1.323 288 2HB GLU 34 HB1 GLU 34 -5.929 1.731 0.236 289 1HG GLU 34 HG2 GLU 34 -4.776 0.801 2.445 290 2HG GLU 34 HG1 GLU 34 -6.446 0.373 2.810 291 H PHE 35 HN PHE 35 -3.695 1.764 1.076 292 HA PHE 35 HA PHE 35 -2.427 4.005 -0.352 293 1HB PHE 35 HB2 PHE 35 -0.535 1.944 0.371 294 2HB PHE 35 HB1 PHE 35 -0.511 3.660 0.755 295 HD1 PHE 35 HD1 PHE 35 -0.678 4.319 2.959 296 HD2 PHE 35 HD2 PHE 35 -2.128 0.481 1.834 297 HE1 PHE 35 HE1 PHE 35 -1.112 3.796 5.322 298 HE2 PHE 35 HE2 PHE 35 -2.566 -0.048 4.196 299 HZ PHE 35 HZ PHE 35 -2.058 1.609 5.944 300 HA PRO 36 HA PRO 36 -2.366 1.791 -4.168 301 1HB PRO 36 HB2 PRO 36 0.318 2.110 -4.850 302 2HB PRO 36 HB1 PRO 36 -0.969 3.261 -5.201 303 1HG PRO 36 HG2 PRO 36 1.021 3.262 -2.980 304 2HG PRO 36 HG1 PRO 36 0.370 4.627 -3.907 305 1HD PRO 36 HD2 PRO 36 -0.475 4.111 -1.422 306 2HD PRO 36 HD1 PRO 36 -1.597 4.686 -2.673 307 H GLY 37 HN GLY 37 -1.274 -0.075 -5.280 308 1HA GLY 37 HA2 GLY 37 0.226 -1.946 -5.149 309 2HA GLY 37 HA1 GLY 37 0.289 -1.715 -3.431 310 H GLY 38 HN GLY 38 -2.181 -2.273 -5.828 311 1HA GLY 38 HA2 GLY 38 -3.199 -4.518 -4.213 312 2HA GLY 38 HA1 GLY 38 -4.288 -3.345 -4.943 313 H LYS 39 HN LYS 39 -2.980 -6.364 -5.314 314 HA LYS 39 HA LYS 39 -3.846 -7.725 -7.105 315 1HB LYS 39 HB2 LYS 39 -4.572 -5.798 -8.480 316 2HB LYS 39 HB1 LYS 39 -2.896 -5.504 -8.921 317 1HG LYS 39 HG2 LYS 39 -2.960 -7.034 -10.522 318 2HG LYS 39 HG1 LYS 39 -3.651 -8.242 -9.437 319 1HD LYS 39 HD2 LYS 39 -5.747 -7.875 -10.169 320 2HD LYS 39 HD1 LYS 39 -5.515 -6.127 -10.254 321 1HE LYS 39 HE2 LYS 39 -3.927 -6.949 -12.286 322 2HE LYS 39 HE1 LYS 39 -5.179 -8.190 -12.327 323 1HZ LYS 39 HZ1 LYS 39 -5.355 -5.357 -12.952 324 2HZ LYS 39 HZ2 LYS 39 -6.674 -6.009 -12.117 325 3HZ LYS 39 HZ3 LYS 39 -6.206 -6.666 -13.605 326 H ILE 40 HN ILE 40 -1.039 -6.660 -5.917 327 HA ILE 40 HA ILE 40 0.961 -7.434 -7.670 328 HB ILE 40 HB ILE 40 2.445 -7.553 -5.882 329 1HG1 ILE 40 2HG1 ILE 40 0.574 -7.671 -3.631 330 2HG1 ILE 40 1HG1 ILE 40 0.535 -9.116 -4.629 331 1HG2 ILE 40 1HG2 ILE 40 2.189 -5.473 -5.095 332 2HG2 ILE 40 2HG2 ILE 40 0.599 -5.818 -4.419 333 3HG2 ILE 40 3HG2 ILE 40 0.763 -5.444 -6.129 334 1HD1 ILE 40 1HD1 ILE 40 3.216 -8.162 -3.942 335 2HD1 ILE 40 2HD1 ILE 40 2.552 -9.795 -3.961 336 3HD1 ILE 40 3HD1 ILE 40 2.239 -8.732 -2.590 337 H GLU 41 HN GLU 41 -1.231 -9.289 -5.839 338 HA GLU 41 HA GLU 41 -0.144 -11.730 -5.495 339 1HB GLU 41 HB2 GLU 41 -2.526 -12.585 -6.197 340 2HB GLU 41 HB1 GLU 41 -2.307 -11.615 -4.754 341 1HG GLU 41 HG2 GLU 41 -3.714 -10.098 -5.509 342 2HG GLU 41 HG1 GLU 41 -2.760 -9.865 -6.963 343 H MET 42 HN MET 42 -2.275 -11.419 -8.296 344 HA MET 42 HA MET 42 -2.247 -12.691 -10.234 345 1HB MET 42 HB2 MET 42 0.225 -10.968 -10.311 346 2HB MET 42 HB1 MET 42 -0.340 -11.875 -11.707 347 1HG MET 42 HG2 MET 42 -2.374 -10.212 -10.406 348 2HG MET 42 HG1 MET 42 -1.037 -9.327 -11.137 349 1HE MET 42 HE1 MET 42 -4.403 -11.434 -12.080 350 2HE MET 42 HE2 MET 42 -4.658 -10.084 -13.188 351 3HE MET 42 HE3 MET 42 -4.238 -9.774 -11.504 352 H GLY 43 HN GLY 43 1.270 -12.613 -9.950 353 1HA GLY 43 HA2 GLY 43 1.549 -15.314 -9.082 354 2HA GLY 43 HA1 GLY 43 1.720 -15.179 -10.817 355 H GLU 44 HN GLU 44 2.697 -12.668 -8.643 356 HA GLU 44 HA GLU 44 5.434 -12.932 -9.612 357 1HB GLU 44 HB2 GLU 44 3.848 -10.779 -8.304 358 2HB GLU 44 HB1 GLU 44 5.594 -10.753 -8.103 359 1HG GLU 44 HG2 GLU 44 4.842 -9.369 -9.977 360 2HG GLU 44 HG1 GLU 44 5.911 -10.673 -10.491 361 H THR 45 HN THR 45 7.027 -12.015 -7.685 362 HA THR 45 HA THR 45 6.698 -13.974 -5.510 363 HB THR 45 HB THR 45 9.391 -12.979 -5.730 364 HG1 THR 45 HG1 THR 45 9.848 -13.267 -7.776 365 1HG2 THR 45 1HG2 THR 45 9.575 -15.039 -4.926 366 2HG2 THR 45 2HG2 THR 45 9.467 -15.567 -6.607 367 3HG2 THR 45 3HG2 THR 45 8.022 -15.538 -5.596 368 HA PRO 46 HA PRO 46 6.564 -11.031 -2.245 369 1HB PRO 46 HB2 PRO 46 9.036 -11.631 -0.981 370 2HB PRO 46 HB1 PRO 46 7.440 -12.248 -0.559 371 1HG PRO 46 HG2 PRO 46 9.570 -13.496 -2.208 372 2HG PRO 46 HG1 PRO 46 8.368 -14.259 -1.150 373 1HD PRO 46 HD2 PRO 46 8.113 -14.363 -3.797 374 2HD PRO 46 HD1 PRO 46 6.690 -14.126 -2.764 375 H GLU 47 HN GLU 47 9.454 -11.251 -4.204 376 HA GLU 47 HA GLU 47 10.374 -8.626 -3.374 377 1HB GLU 47 HB2 GLU 47 11.628 -10.933 -4.344 378 2HB GLU 47 HB1 GLU 47 11.812 -9.738 -5.619 379 1HG GLU 47 HG2 GLU 47 12.391 -8.826 -2.875 380 2HG GLU 47 HG1 GLU 47 13.512 -9.993 -3.574 381 H GLN 48 HN GLN 48 9.597 -10.139 -6.543 382 HA GLN 48 HA GLN 48 9.479 -7.549 -7.790 383 1HB GLN 48 HB2 GLN 48 9.014 -8.747 -9.838 384 2HB GLN 48 HB1 GLN 48 10.337 -9.525 -8.981 385 1HG GLN 48 HG2 GLN 48 8.888 -11.276 -8.218 386 2HG GLN 48 HG1 GLN 48 7.480 -10.458 -8.893 387 1HE2 GLN 48 1HE2 GLN 48 7.619 -12.886 -9.704 388 2HE2 GLN 48 2HE2 GLN 48 8.271 -13.047 -11.296 389 H ALA 49 HN ALA 49 7.194 -9.594 -6.237 390 HA ALA 49 HA ALA 49 4.848 -8.984 -7.600 391 1HB ALA 49 HB1 ALA 49 5.052 -10.678 -5.806 392 2HB ALA 49 HB2 ALA 49 3.667 -9.608 -5.600 393 3HB ALA 49 HB3 ALA 49 5.115 -9.371 -4.623 394 H VAL 50 HN VAL 50 6.322 -7.287 -4.850 395 HA VAL 50 HA VAL 50 4.361 -5.194 -4.901 396 HB VAL 50 HB VAL 50 5.497 -4.207 -3.104 397 1HG1 VAL 50 1HG1 VAL 50 5.153 -7.045 -3.107 398 2HG1 VAL 50 2HG1 VAL 50 4.947 -5.899 -1.784 399 3HG1 VAL 50 3HG1 VAL 50 6.525 -6.622 -2.083 400 1HG2 VAL 50 1HG2 VAL 50 7.691 -3.971 -4.077 401 2HG2 VAL 50 2HG2 VAL 50 7.966 -5.710 -3.969 402 3HG2 VAL 50 3HG2 VAL 50 7.840 -4.743 -2.498 403 H VAL 51 HN VAL 51 7.758 -5.469 -5.861 404 HA VAL 51 HA VAL 51 8.135 -2.839 -6.721 405 HB VAL 51 HB VAL 51 9.465 -5.318 -7.828 406 1HG1 VAL 51 1HG1 VAL 51 10.325 -3.772 -9.220 407 2HG1 VAL 51 2HG1 VAL 51 11.355 -3.392 -7.841 408 3HG1 VAL 51 3HG1 VAL 51 9.912 -2.427 -8.157 409 1HG2 VAL 51 1HG2 VAL 51 10.856 -3.739 -5.780 410 2HG2 VAL 51 2HG2 VAL 51 10.747 -5.487 -5.990 411 3HG2 VAL 51 3HG2 VAL 51 9.433 -4.610 -5.207 412 H ARG 52 HN ARG 52 6.809 -5.653 -8.365 413 HA ARG 52 HA ARG 52 6.788 -4.465 -10.936 414 1HB ARG 52 HB2 ARG 52 5.366 -6.841 -9.765 415 2HB ARG 52 HB1 ARG 52 5.067 -6.311 -11.413 416 1HG ARG 52 HG2 ARG 52 7.871 -6.795 -10.535 417 2HG ARG 52 HG1 ARG 52 6.829 -8.169 -10.909 418 1HD ARG 52 HD2 ARG 52 7.622 -5.900 -12.722 419 2HD ARG 52 HD1 ARG 52 8.011 -7.610 -12.899 420 HE ARG 52 HE ARG 52 5.629 -6.299 -13.752 421 1HH1 ARG 52 1HH1 ARG 52 6.873 -9.333 -12.554 422 2HH1 ARG 52 2HH1 ARG 52 5.623 -10.278 -13.289 423 1HH2 ARG 52 1HH2 ARG 52 3.984 -7.543 -14.720 424 2HH2 ARG 52 2HH2 ARG 52 3.984 -9.263 -14.519 425 H GLU 53 HN GLU 53 4.268 -4.950 -8.484 426 HA GLU 53 HA GLU 53 2.266 -3.579 -9.968 427 1HB GLU 53 HB2 GLU 53 2.110 -5.276 -7.932 428 2HB GLU 53 HB1 GLU 53 2.086 -3.784 -7.002 429 1HG GLU 53 HG2 GLU 53 -0.156 -4.229 -7.336 430 2HG GLU 53 HG1 GLU 53 0.211 -3.065 -8.608 431 H LEU 54 HN LEU 54 4.742 -2.583 -7.726 432 HA LEU 54 HA LEU 54 3.708 -0.157 -6.853 433 1HB LEU 54 HB2 LEU 54 6.203 -1.465 -6.756 434 2HB LEU 54 HB1 LEU 54 6.514 0.128 -7.416 435 HG LEU 54 HG LEU 54 5.159 1.016 -5.426 436 1HD1 LEU 54 1HD1 LEU 54 4.107 -0.728 -4.414 437 2HD1 LEU 54 2HD1 LEU 54 5.576 -0.657 -3.441 438 3HD1 LEU 54 3HD1 LEU 54 5.428 -1.854 -4.728 439 1HD2 LEU 54 1HD2 LEU 54 7.199 1.641 -4.841 440 2HD2 LEU 54 2HD2 LEU 54 7.898 0.282 -5.721 441 3HD2 LEU 54 3HD2 LEU 54 7.424 0.089 -4.034 442 H GLN 55 HN GLN 55 5.488 -0.896 -9.834 443 HA GLN 55 HA GLN 55 5.615 1.742 -10.804 444 1HB GLN 55 HB2 GLN 55 6.558 -0.671 -11.665 445 2HB GLN 55 HB1 GLN 55 5.270 -0.378 -12.825 446 1HG GLN 55 HG2 GLN 55 6.266 1.615 -13.583 447 2HG GLN 55 HG1 GLN 55 7.381 1.666 -12.219 448 1HE2 GLN 55 1HE2 GLN 55 9.017 1.902 -13.873 449 2HE2 GLN 55 2HE2 GLN 55 9.642 0.494 -14.655 450 H GLU 56 HN GLU 56 3.147 -0.729 -10.928 451 HA GLU 56 HA GLU 56 1.434 0.682 -12.750 452 1HB GLU 56 HB2 GLU 56 1.530 -1.850 -12.299 453 2HB GLU 56 HB1 GLU 56 0.562 -1.504 -10.878 454 1HG GLU 56 HG2 GLU 56 -0.917 -0.233 -12.683 455 2HG GLU 56 HG1 GLU 56 -0.171 -1.429 -13.741 456 H GLU 57 HN GLU 57 1.754 0.401 -9.260 457 HA GLU 57 HA GLU 57 -0.663 2.000 -8.913 458 1HB GLU 57 HB2 GLU 57 1.009 0.686 -6.775 459 2HB GLU 57 HB1 GLU 57 -0.609 1.353 -6.597 460 1HG GLU 57 HG2 GLU 57 0.080 -0.975 -8.374 461 2HG GLU 57 HG1 GLU 57 -0.536 -1.123 -6.730 462 H VAL 58 HN VAL 58 2.412 2.715 -9.513 463 HA VAL 58 HA VAL 58 2.269 5.179 -7.943 464 HB VAL 58 HB VAL 58 4.925 3.814 -8.325 465 1HG1 VAL 58 1HG1 VAL 58 4.435 6.337 -7.698 466 2HG1 VAL 58 2HG1 VAL 58 5.766 5.443 -6.962 467 3HG1 VAL 58 3HG1 VAL 58 4.249 5.647 -6.087 468 1HG2 VAL 58 1HG2 VAL 58 4.783 2.669 -6.335 469 2HG2 VAL 58 2HG2 VAL 58 3.129 2.502 -6.917 470 3HG2 VAL 58 3HG2 VAL 58 3.515 3.713 -5.698 471 H GLY 59 HN GLY 59 3.768 3.432 -10.624 472 1HA GLY 59 HA2 GLY 59 4.413 4.091 -12.713 473 2HA GLY 59 HA1 GLY 59 3.220 5.361 -12.544 474 H ILE 60 HN ILE 60 5.586 5.600 -10.135 475 HA ILE 60 HA ILE 60 7.033 7.614 -11.734 476 HB ILE 60 HB ILE 60 5.690 8.587 -9.894 477 1HG1 ILE 60 2HG1 ILE 60 8.664 8.772 -9.413 478 2HG1 ILE 60 1HG1 ILE 60 7.760 9.704 -10.607 479 1HG2 ILE 60 1HG2 ILE 60 6.452 6.383 -8.473 480 2HG2 ILE 60 2HG2 ILE 60 5.670 7.818 -7.808 481 3HG2 ILE 60 3HG2 ILE 60 7.426 7.664 -7.751 482 1HD1 ILE 60 1HD1 ILE 60 8.250 10.314 -7.905 483 2HD1 ILE 60 2HD1 ILE 60 6.521 10.018 -8.070 484 3HD1 ILE 60 3HD1 ILE 60 7.309 11.232 -9.079 485 H THR 61 HN THR 61 9.311 7.969 -11.034 486 HA THR 61 HA THR 61 10.572 5.420 -10.376 487 HB THR 61 HB THR 61 12.611 6.898 -11.105 488 HG1 THR 61 HG1 THR 61 10.575 8.239 -12.505 489 1HG2 THR 61 1HG2 THR 61 12.338 6.313 -13.411 490 2HG2 THR 61 2HG2 THR 61 10.598 6.121 -13.191 491 3HG2 THR 61 3HG2 THR 61 11.716 4.996 -12.415 492 HA PRO 62 HA PRO 62 11.386 7.719 -6.504 493 1HB PRO 62 HB2 PRO 62 9.836 6.144 -4.927 494 2HB PRO 62 HB1 PRO 62 9.146 7.391 -5.948 495 1HG PRO 62 HG2 PRO 62 8.843 4.544 -6.186 496 2HG PRO 62 HG1 PRO 62 8.088 5.810 -7.163 497 1HD PRO 62 HD2 PRO 62 10.550 4.229 -7.695 498 2HD PRO 62 HD1 PRO 62 9.415 4.967 -8.834 499 H GLN 63 HN GLN 63 12.606 7.208 -4.607 500 HA GLN 63 HA GLN 63 14.070 4.695 -4.719 501 1HB GLN 63 HB2 GLN 63 13.989 6.767 -2.491 502 2HB GLN 63 HB1 GLN 63 15.166 5.473 -2.667 503 1HG GLN 63 HG2 GLN 63 16.083 6.508 -4.636 504 2HG GLN 63 HG1 GLN 63 14.832 7.750 -4.605 505 1HE2 GLN 63 1HE2 GLN 63 16.206 9.467 -4.405 506 2HE2 GLN 63 2HE2 GLN 63 17.156 9.767 -2.993 507 H HIS 64 HN HIS 64 12.132 3.537 -4.801 508 HA HIS 64 HA HIS 64 10.533 3.463 -2.360 509 1HB HIS 64 HB2 HIS 64 8.725 2.714 -3.805 510 2HB HIS 64 HB1 HIS 64 9.454 4.157 -4.455 511 HD1 HIS 64 HD1 HIS 64 7.872 2.550 -6.389 512 HD2 HIS 64 HD2 HIS 64 11.910 1.841 -5.712 513 HE1 HIS 64 HE1 HIS 64 8.706 1.379 -8.450 514 HE2 HIS 64 HE2 HIS 64 11.167 1.035 -8.050 515 H PHE 65 HN PHE 65 10.737 1.811 -1.055 516 HA PHE 65 HA PHE 65 10.727 -0.881 -1.851 517 1HB PHE 65 HB2 PHE 65 13.154 0.316 -2.282 518 2HB PHE 65 HB1 PHE 65 13.357 -0.351 -0.676 519 HD1 PHE 65 HD1 PHE 65 11.422 -2.752 -1.286 520 HD2 PHE 65 HD2 PHE 65 14.830 -1.120 -3.246 521 HE1 PHE 65 HE1 PHE 65 11.895 -4.949 -2.289 522 HE2 PHE 65 HE2 PHE 65 15.308 -3.315 -4.251 523 HZ PHE 65 HZ PHE 65 13.839 -5.232 -3.774 524 H SER 66 HN SER 66 12.420 -1.801 0.316 525 HA SER 66 HA SER 66 12.327 -2.352 2.504 526 1HB SER 66 HB2 SER 66 11.843 0.581 2.485 527 2HB SER 66 HB1 SER 66 11.517 -0.282 3.988 528 HG SER 66 HG SER 66 13.948 -0.062 2.568 529 H LEU 67 HN LEU 67 10.935 -2.930 4.238 530 HA LEU 67 HA LEU 67 8.089 -2.758 3.543 531 1HB LEU 67 HB2 LEU 67 7.739 -4.958 3.986 532 2HB LEU 67 HB1 LEU 67 9.401 -5.045 3.442 533 HG LEU 67 HG LEU 67 9.989 -4.853 5.970 534 1HD1 LEU 67 1HD1 LEU 67 8.211 -4.591 7.295 535 2HD1 LEU 67 2HD1 LEU 67 7.878 -6.295 6.989 536 3HD1 LEU 67 3HD1 LEU 67 7.084 -5.053 6.019 537 1HD2 LEU 67 1HD2 LEU 67 9.962 -7.242 6.165 538 2HD2 LEU 67 2HD2 LEU 67 10.309 -6.827 4.486 539 3HD2 LEU 67 3HD2 LEU 67 8.695 -7.374 4.944 540 H PHE 68 HN PHE 68 6.921 -1.643 4.931 541 HA PHE 68 HA PHE 68 8.001 -0.833 7.461 542 1HB PHE 68 HB2 PHE 68 6.687 0.901 6.884 543 2HB PHE 68 HB1 PHE 68 5.787 -0.070 5.729 544 HD1 PHE 68 HD1 PHE 68 5.710 1.596 8.872 545 HD2 PHE 68 HD2 PHE 68 3.917 -1.550 6.639 546 HE1 PHE 68 HE1 PHE 68 3.751 1.662 10.356 547 HE2 PHE 68 HE2 PHE 68 1.958 -1.494 8.120 548 HZ PHE 68 HZ PHE 68 1.867 0.122 9.983 549 H GLU 69 HN GLU 69 5.384 -2.933 6.370 550 HA GLU 69 HA GLU 69 5.630 -4.701 8.561 551 1HB GLU 69 HB2 GLU 69 4.293 -2.498 9.346 552 2HB GLU 69 HB1 GLU 69 2.955 -3.426 8.682 553 1HG GLU 69 HG2 GLU 69 4.049 -5.335 10.163 554 2HG GLU 69 HG1 GLU 69 4.624 -3.937 11.071 555 H LYS 70 HN LYS 70 3.943 -6.426 8.475 556 HA LYS 70 HA LYS 70 2.446 -6.497 5.969 557 1HB LYS 70 HB2 LYS 70 3.305 -8.805 5.498 558 2HB LYS 70 HB1 LYS 70 4.503 -7.532 5.312 559 1HG LYS 70 HG2 LYS 70 4.298 -8.992 7.904 560 2HG LYS 70 HG1 LYS 70 5.116 -9.744 6.533 561 1HD LYS 70 HD2 LYS 70 6.299 -7.372 6.424 562 2HD LYS 70 HD1 LYS 70 5.884 -7.365 8.140 563 1HE LYS 70 HE2 LYS 70 7.046 -9.884 7.224 564 2HE LYS 70 HE1 LYS 70 8.125 -8.501 7.039 565 1HZ LYS 70 HZ1 LYS 70 7.228 -8.079 9.497 566 2HZ LYS 70 HZ2 LYS 70 8.609 -8.999 9.167 567 3HZ LYS 70 HZ3 LYS 70 7.131 -9.768 9.459 568 H LEU 71 HN LEU 71 0.504 -7.451 6.185 569 HA LEU 71 HA LEU 71 -0.012 -8.935 8.677 570 1HB LEU 71 HB2 LEU 71 -1.257 -6.902 8.684 571 2HB LEU 71 HB1 LEU 71 -1.800 -7.151 7.036 572 HG LEU 71 HG LEU 71 -3.067 -9.171 7.875 573 1HD1 LEU 71 1HD1 LEU 71 -1.912 -8.171 10.408 574 2HD1 LEU 71 2HD1 LEU 71 -2.314 -9.815 9.912 575 3HD1 LEU 71 3HD1 LEU 71 -3.587 -8.721 10.450 576 1HD2 LEU 71 1HD2 LEU 71 -3.655 -6.331 8.445 577 2HD2 LEU 71 2HD2 LEU 71 -4.693 -7.527 9.222 578 3HD2 LEU 71 3HD2 LEU 71 -4.539 -7.501 7.466 579 H GLU 72 HN GLU 72 -0.449 -11.023 8.452 580 HA GLU 72 HA GLU 72 -1.488 -11.965 5.865 581 1HB GLU 72 HB2 GLU 72 0.670 -12.869 6.047 582 2HB GLU 72 HB1 GLU 72 0.502 -13.164 7.772 583 1HG GLU 72 HG2 GLU 72 -0.846 -15.044 7.432 584 2HG GLU 72 HG1 GLU 72 -1.153 -14.625 5.747 585 H TYR 73 HN TYR 73 -3.584 -12.389 6.072 586 HA TYR 73 HA TYR 73 -4.459 -14.071 8.307 587 1HB TYR 73 HB2 TYR 73 -4.994 -11.431 8.392 588 2HB TYR 73 HB1 TYR 73 -6.367 -11.974 7.433 589 HD1 TYR 73 HD1 TYR 73 -8.229 -11.941 8.808 590 HD2 TYR 73 HD2 TYR 73 -4.595 -13.562 10.311 591 HE1 TYR 73 HE1 TYR 73 -9.394 -12.631 10.861 592 HE2 TYR 73 HE2 TYR 73 -5.750 -14.257 12.369 593 HH TYR 73 HH TYR 73 -7.968 -14.735 13.165 594 H GLU 74 HN GLU 74 -6.086 -15.525 7.800 595 HA GLU 74 HA GLU 74 -6.932 -15.535 4.979 596 1HB GLU 74 HB2 GLU 74 -7.044 -18.071 5.268 597 2HB GLU 74 HB1 GLU 74 -5.450 -17.345 5.132 598 1HG GLU 74 HG2 GLU 74 -5.536 -17.330 7.731 599 2HG GLU 74 HG1 GLU 74 -6.787 -18.550 7.508 600 H PHE 75 HN PHE 75 -9.015 -15.446 4.639 601 HA PHE 75 HA PHE 75 -10.879 -15.673 6.833 602 1HB PHE 75 HB2 PHE 75 -10.861 -14.525 4.116 603 2HB PHE 75 HB1 PHE 75 -12.395 -15.214 4.612 604 HD1 PHE 75 HD1 PHE 75 -12.245 -14.541 7.558 605 HD2 PHE 75 HD2 PHE 75 -11.382 -12.253 4.073 606 HE1 PHE 75 HE1 PHE 75 -12.750 -12.477 8.793 607 HE2 PHE 75 HE2 PHE 75 -11.885 -10.184 5.304 608 HZ PHE 75 HZ PHE 75 -12.570 -10.295 7.667 609 HA PRO 76 HA PRO 76 -12.542 -19.701 6.216 610 1HB PRO 76 HB2 PRO 76 -15.202 -19.136 5.533 611 2HB PRO 76 HB1 PRO 76 -14.569 -19.367 7.164 612 1HG PRO 76 HG2 PRO 76 -15.130 -16.845 5.686 613 2HG PRO 76 HG1 PRO 76 -15.294 -17.198 7.416 614 1HD PRO 76 HD2 PRO 76 -13.254 -15.741 6.464 615 2HD PRO 76 HD1 PRO 76 -13.035 -16.858 7.825 616 H ASP 77 HN ASP 77 -11.217 -19.853 4.292 617 HA ASP 77 HA ASP 77 -11.111 -20.916 2.239 618 1HB ASP 77 HB2 ASP 77 -13.772 -21.036 2.526 619 2HB ASP 77 HB1 ASP 77 -13.692 -19.846 1.230 620 H ARG 78 HN ARG 78 -10.893 -17.892 3.071 621 HA ARG 78 HA ARG 78 -10.151 -17.022 0.371 622 1HB ARG 78 HB2 ARG 78 -12.420 -16.074 1.433 623 2HB ARG 78 HB1 ARG 78 -11.286 -14.955 2.178 624 1HG ARG 78 HG2 ARG 78 -10.542 -14.164 0.074 625 2HG ARG 78 HG1 ARG 78 -11.371 -15.466 -0.782 626 1HD ARG 78 HD2 ARG 78 -13.081 -13.781 0.921 627 2HD ARG 78 HD1 ARG 78 -12.365 -12.967 -0.470 628 HE ARG 78 HE ARG 78 -14.438 -14.946 -0.504 629 1HH1 ARG 78 1HH1 ARG 78 -11.823 -13.543 -2.341 630 2HH1 ARG 78 2HH1 ARG 78 -12.498 -13.984 -3.873 631 1HH2 ARG 78 1HH2 ARG 78 -15.327 -15.526 -2.519 632 2HH2 ARG 78 2HH2 ARG 78 -14.487 -15.108 -3.975 633 H HIS 79 HN HIS 79 -7.974 -17.274 0.798 634 HA HIS 79 HA HIS 79 -6.768 -16.175 3.163 635 1HB HIS 79 HB2 HIS 79 -5.644 -17.428 0.661 636 2HB HIS 79 HB1 HIS 79 -4.617 -16.778 1.935 637 HD1 HIS 79 HD1 HIS 79 -7.749 -18.581 2.859 638 HD2 HIS 79 HD2 HIS 79 -3.675 -19.347 2.573 639 HE1 HIS 79 HE1 HIS 79 -7.395 -20.782 4.023 640 HE2 HIS 79 HE2 HIS 79 -4.937 -21.267 3.760 641 H ILE 80 HN ILE 80 -6.694 -14.018 3.371 642 HA ILE 80 HA ILE 80 -5.989 -12.402 1.027 643 HB ILE 80 HB ILE 80 -8.033 -11.621 1.916 644 1HG1 ILE 80 2HG1 ILE 80 -6.228 -9.756 3.380 645 2HG1 ILE 80 1HG1 ILE 80 -5.982 -9.964 1.650 646 1HG2 ILE 80 1HG2 ILE 80 -6.739 -11.814 4.627 647 2HG2 ILE 80 2HG2 ILE 80 -8.099 -12.754 4.012 648 3HG2 ILE 80 3HG2 ILE 80 -8.291 -11.030 4.329 649 1HD1 ILE 80 1HD1 ILE 80 -8.479 -9.455 1.429 650 2HD1 ILE 80 2HD1 ILE 80 -7.391 -8.122 1.816 651 3HD1 ILE 80 3HD1 ILE 80 -8.364 -8.863 3.086 652 H THR 81 HN THR 81 -3.900 -11.939 0.907 653 HA THR 81 HA THR 81 -2.366 -11.575 3.390 654 HB THR 81 HB THR 81 -0.849 -11.696 0.884 655 HG1 THR 81 HG1 THR 81 -2.463 -13.138 0.289 656 1HG2 THR 81 1HG2 THR 81 0.536 -13.212 2.042 657 2HG2 THR 81 2HG2 THR 81 -0.703 -13.523 3.258 658 3HG2 THR 81 3HG2 THR 81 0.091 -11.950 3.190 659 H LEU 82 HN LEU 82 -1.610 -9.606 3.915 660 HA LEU 82 HA LEU 82 -1.562 -7.545 1.810 661 1HB LEU 82 HB2 LEU 82 -2.822 -7.511 4.496 662 2HB LEU 82 HB1 LEU 82 -2.040 -6.035 3.964 663 HG LEU 82 HG LEU 82 -4.104 -7.436 2.283 664 1HD1 LEU 82 1HD1 LEU 82 -4.462 -5.860 4.721 665 2HD1 LEU 82 2HD1 LEU 82 -5.582 -6.937 3.888 666 3HD1 LEU 82 3HD1 LEU 82 -5.385 -5.274 3.338 667 1HD2 LEU 82 1HD2 LEU 82 -4.227 -5.414 1.091 668 2HD2 LEU 82 2HD2 LEU 82 -2.505 -5.706 1.328 669 3HD2 LEU 82 3HD2 LEU 82 -3.347 -4.530 2.337 670 H TRP 83 HN TRP 83 0.465 -6.919 1.463 671 HA TRP 83 HA TRP 83 2.338 -6.870 3.739 672 1HB TRP 83 HB2 TRP 83 3.359 -6.622 0.955 673 2HB TRP 83 HB1 TRP 83 4.082 -7.410 2.346 674 HD1 TRP 83 HD1 TRP 83 1.221 -9.265 2.643 675 HE1 TRP 83 HE1 TRP 83 1.108 -11.337 1.129 676 HE3 TRP 83 HE3 TRP 83 4.777 -7.958 -0.784 677 HZ2 TRP 83 HZ2 TRP 83 2.362 -12.298 -1.208 678 HZ3 TRP 83 HZ3 TRP 83 5.263 -9.511 -2.627 679 HH2 TRP 83 HH2 TRP 83 4.080 -11.637 -2.834 680 H PHE 84 HN PHE 84 2.906 -4.922 4.492 681 HA PHE 84 HA PHE 84 2.393 -2.589 2.788 682 1HB PHE 84 HB2 PHE 84 2.601 -2.869 5.786 683 2HB PHE 84 HB1 PHE 84 2.591 -1.306 4.982 684 HD1 PHE 84 HD1 PHE 84 0.584 -1.318 6.784 685 HD2 PHE 84 HD2 PHE 84 0.574 -3.369 3.050 686 HE1 PHE 84 HE1 PHE 84 -1.872 -1.333 6.799 687 HE2 PHE 84 HE2 PHE 84 -1.883 -3.383 3.064 688 HZ PHE 84 HZ PHE 84 -3.109 -2.364 4.938 689 H TRP 85 HN TRP 85 4.104 -1.869 1.726 690 HA TRP 85 HA TRP 85 6.773 -2.252 2.831 691 1HB TRP 85 HB2 TRP 85 5.802 -1.501 0.080 692 2HB TRP 85 HB1 TRP 85 7.507 -1.483 0.530 693 HD1 TRP 85 HD1 TRP 85 4.585 -4.044 0.684 694 HE1 TRP 85 HE1 TRP 85 5.538 -6.364 0.109 695 HE3 TRP 85 HE3 TRP 85 9.499 -2.779 0.070 696 HZ2 TRP 85 HZ2 TRP 85 8.039 -7.508 -0.522 697 HZ3 TRP 85 HZ3 TRP 85 11.108 -4.547 -0.515 698 HH2 TRP 85 HH2 TRP 85 10.391 -6.861 -0.806 699 H LEU 86 HN LEU 86 8.309 -0.561 3.050 700 HA LEU 86 HA LEU 86 7.025 2.053 3.466 701 1HB LEU 86 HB2 LEU 86 8.027 0.949 5.427 702 2HB LEU 86 HB1 LEU 86 9.590 0.990 4.633 703 HG LEU 86 HG LEU 86 9.006 3.604 4.531 704 1HD1 LEU 86 1HD1 LEU 86 7.824 4.378 6.409 705 2HD1 LEU 86 2HD1 LEU 86 7.801 2.780 7.156 706 3HD1 LEU 86 3HD1 LEU 86 6.823 3.099 5.723 707 1HD2 LEU 86 1HD2 LEU 86 10.636 3.878 6.124 708 2HD2 LEU 86 2HD2 LEU 86 10.917 2.203 5.653 709 3HD2 LEU 86 3HD2 LEU 86 10.026 2.565 7.132 710 H VAL 87 HN VAL 87 7.256 3.240 1.694 711 HA VAL 87 HA VAL 87 9.676 3.289 0.100 712 HB VAL 87 HB VAL 87 7.397 5.213 -0.073 713 1HG1 VAL 87 1HG1 VAL 87 8.420 5.997 -1.869 714 2HG1 VAL 87 2HG1 VAL 87 8.523 4.387 -2.575 715 3HG1 VAL 87 3HG1 VAL 87 9.789 4.955 -1.486 716 1HG2 VAL 87 1HG2 VAL 87 6.673 3.498 -1.955 717 2HG2 VAL 87 2HG2 VAL 87 6.158 3.284 -0.282 718 3HG2 VAL 87 3HG2 VAL 87 7.522 2.354 -0.911 719 H GLU 88 HN GLU 88 11.122 5.041 -0.051 720 HA GLU 88 HA GLU 88 10.905 6.828 2.250 721 1HB GLU 88 HB2 GLU 88 12.934 5.457 2.110 722 2HB GLU 88 HB1 GLU 88 13.336 6.213 0.575 723 1HG GLU 88 HG2 GLU 88 13.580 8.361 1.663 724 2HG GLU 88 HG1 GLU 88 13.098 7.655 3.205 725 H ARG 89 HN ARG 89 11.280 7.034 -1.281 726 HA ARG 89 HA ARG 89 10.353 9.740 -1.201 727 1HB ARG 89 HB2 ARG 89 12.237 10.913 -1.891 728 2HB ARG 89 HB1 ARG 89 12.867 9.817 -0.672 729 1HG ARG 89 HG2 ARG 89 14.396 9.210 -2.157 730 2HG ARG 89 HG1 ARG 89 13.104 8.402 -3.047 731 1HD ARG 89 HD2 ARG 89 14.254 9.835 -4.571 732 2HD ARG 89 HD1 ARG 89 12.680 10.554 -4.236 733 HE ARG 89 HE ARG 89 14.827 11.523 -2.568 734 1HH1 ARG 89 1HH1 ARG 89 13.053 11.965 -5.544 735 2HH1 ARG 89 2HH1 ARG 89 13.473 13.638 -5.690 736 1HH2 ARG 89 1HH2 ARG 89 15.379 13.724 -2.761 737 2HH2 ARG 89 2HH2 ARG 89 14.793 14.637 -4.112 738 H TRP 90 HN TRP 90 10.234 10.737 -3.409 739 HA TRP 90 HA TRP 90 10.272 8.770 -5.554 740 1HB TRP 90 HB2 TRP 90 8.047 9.212 -6.291 741 2HB TRP 90 HB1 TRP 90 7.973 8.801 -4.585 742 HD1 TRP 90 HD1 TRP 90 7.797 11.925 -6.867 743 HE1 TRP 90 HE1 TRP 90 6.306 13.665 -5.700 744 HE3 TRP 90 HE3 TRP 90 7.040 9.501 -2.429 745 HZ2 TRP 90 HZ2 TRP 90 4.998 13.981 -3.228 746 HZ3 TRP 90 HZ3 TRP 90 5.652 10.598 -0.716 747 HH2 TRP 90 HH2 TRP 90 4.649 12.788 -1.109 748 H GLU 91 HN GLU 91 10.149 9.693 -7.722 749 HA GLU 91 HA GLU 91 11.387 12.362 -7.741 750 1HB GLU 91 HB2 GLU 91 12.476 10.196 -8.741 751 2HB GLU 91 HB1 GLU 91 11.412 10.522 -10.101 752 1HG GLU 91 HG2 GLU 91 13.030 12.785 -9.110 753 2HG GLU 91 HG1 GLU 91 13.893 11.480 -9.923 754 H GLY 92 HN GLY 92 9.782 13.820 -7.943 755 1HA GLY 92 HA2 GLY 92 8.487 15.124 -9.446 756 2HA GLY 92 HA1 GLY 92 8.194 13.679 -10.403 757 H GLU 93 HN GLU 93 6.225 12.850 -10.258 758 HA GLU 93 HA GLU 93 4.763 13.130 -7.733 759 1HB GLU 93 HB2 GLU 93 3.975 14.896 -9.236 760 2HB GLU 93 HB1 GLU 93 3.600 13.688 -10.459 761 1HG GLU 93 HG2 GLU 93 1.807 12.851 -9.273 762 2HG GLU 93 HG1 GLU 93 2.389 13.491 -7.740 763 HA PRO 94 HA PRO 94 4.162 8.778 -8.645 764 1HB PRO 94 HB2 PRO 94 2.622 8.634 -6.186 765 2HB PRO 94 HB1 PRO 94 4.210 7.948 -6.531 766 1HG PRO 94 HG2 PRO 94 3.811 10.002 -4.787 767 2HG PRO 94 HG1 PRO 94 5.319 9.761 -5.686 768 1HD PRO 94 HD2 PRO 94 3.064 11.651 -6.240 769 2HD PRO 94 HD1 PRO 94 4.813 11.911 -6.374 770 H TRP 95 HN TRP 95 2.594 7.962 -9.909 771 HA TRP 95 HA TRP 95 -0.144 8.937 -9.465 772 1HB TRP 95 HB2 TRP 95 -0.413 8.502 -11.996 773 2HB TRP 95 HB1 TRP 95 0.454 9.946 -11.488 774 HD1 TRP 95 HD1 TRP 95 3.120 9.947 -11.856 775 HE1 TRP 95 HE1 TRP 95 4.609 8.693 -13.544 776 HE3 TRP 95 HE3 TRP 95 -0.116 6.233 -13.147 777 HZ2 TRP 95 HZ2 TRP 95 4.412 6.424 -15.211 778 HZ3 TRP 95 HZ3 TRP 95 0.599 4.557 -14.797 779 HH2 TRP 95 HH2 TRP 95 2.823 4.646 -15.801 780 H GLY 96 HN GLY 96 1.563 6.372 -11.231 781 1HA GLY 96 HA2 GLY 96 1.113 4.127 -11.463 782 2HA GLY 96 HA1 GLY 96 0.472 4.225 -9.837 783 H LYS 97 HN LYS 97 -1.542 3.567 -9.625 784 HA LYS 97 HA LYS 97 -3.709 4.464 -11.133 785 1HB LYS 97 HB2 LYS 97 -2.344 2.802 -12.721 786 2HB LYS 97 HB1 LYS 97 -3.295 1.606 -11.851 787 1HG LYS 97 HG2 LYS 97 -4.905 1.977 -13.328 788 2HG LYS 97 HG1 LYS 97 -5.144 3.542 -12.548 789 1HD LYS 97 HD2 LYS 97 -3.109 4.182 -14.155 790 2HD LYS 97 HD1 LYS 97 -3.808 2.872 -15.108 791 1HE LYS 97 HE2 LYS 97 -5.116 4.507 -15.935 792 2HE LYS 97 HE1 LYS 97 -6.038 4.248 -14.454 793 1HZ LYS 97 HZ1 LYS 97 -4.166 6.418 -15.117 794 2HZ LYS 97 HZ2 LYS 97 -4.408 5.995 -13.497 795 3HZ LYS 97 HZ3 LYS 97 -5.714 6.508 -14.441 796 H GLU 98 HN GLU 98 -3.054 3.980 -8.418 797 HA GLU 98 HA GLU 98 -4.064 1.654 -7.299 798 1HB GLU 98 HB2 GLU 98 -4.572 3.116 -5.287 799 2HB GLU 98 HB1 GLU 98 -2.916 3.146 -5.872 800 1HG GLU 98 HG2 GLU 98 -3.672 5.233 -7.196 801 2HG GLU 98 HG1 GLU 98 -5.022 5.251 -6.068 802 H GLY 99 HN GLY 99 -5.761 4.279 -8.797 803 1HA GLY 99 HA2 GLY 99 -7.991 3.855 -9.619 804 2HA GLY 99 HA1 GLY 99 -8.291 2.902 -8.176 805 H GLN 100 HN GLN 100 -6.798 5.261 -6.746 806 HA GLN 100 HA GLN 100 -8.965 7.229 -6.833 807 1HB GLN 100 HB2 GLN 100 -8.056 5.707 -4.397 808 2HB GLN 100 HB1 GLN 100 -8.896 7.247 -4.281 809 1HG GLN 100 HG2 GLN 100 -10.727 5.969 -4.180 810 2HG GLN 100 HG1 GLN 100 -10.553 5.902 -5.934 811 1HE2 GLN 100 1HE2 GLN 100 -8.879 4.297 -3.249 812 2HE2 GLN 100 2HE2 GLN 100 -9.143 2.687 -3.820 813 HA PRO 101 HA PRO 101 -5.244 9.761 -7.276 814 1HB PRO 101 HB2 PRO 101 -7.499 11.658 -6.712 815 2HB PRO 101 HB1 PRO 101 -6.164 11.826 -7.861 816 1HG PRO 101 HG2 PRO 101 -8.541 11.097 -8.732 817 2HG PRO 101 HG1 PRO 101 -7.092 10.271 -9.342 818 1HD PRO 101 HD2 PRO 101 -9.134 9.322 -7.392 819 2HD PRO 101 HD1 PRO 101 -8.192 8.400 -8.581 820 H GLY 102 HN GLY 102 -3.901 10.714 -5.804 821 1HA GLY 102 HA2 GLY 102 -4.978 11.264 -3.115 822 2HA GLY 102 HA1 GLY 102 -3.540 10.276 -3.310 823 H GLU 103 HN GLU 103 -3.140 12.274 -1.723 824 HA GLU 103 HA GLU 103 -1.473 14.109 -3.267 825 1HB GLU 103 HB2 GLU 103 -3.853 14.862 -1.706 826 2HB GLU 103 HB1 GLU 103 -2.413 15.797 -1.328 827 1HG GLU 103 HG2 GLU 103 -3.281 17.071 -2.994 828 2HG GLU 103 HG1 GLU 103 -2.257 15.996 -3.944 829 H TRP 104 HN TRP 104 0.204 15.141 -1.946 830 HA TRP 104 HA TRP 104 1.415 13.339 -0.162 831 1HB TRP 104 HB2 TRP 104 2.123 16.227 0.078 832 2HB TRP 104 HB1 TRP 104 3.176 14.823 -0.046 833 HD1 TRP 104 HD1 TRP 104 2.629 13.614 -2.763 834 HE1 TRP 104 HE1 TRP 104 2.977 14.910 -4.960 835 HE3 TRP 104 HE3 TRP 104 2.379 18.385 -0.942 836 HZ2 TRP 104 HZ2 TRP 104 3.124 17.598 -5.809 837 HZ3 TRP 104 HZ3 TRP 104 2.632 20.262 -2.512 838 HH2 TRP 104 HH2 TRP 104 2.997 19.876 -4.895 839 H MET 105 HN MET 105 0.482 12.751 1.684 840 HA MET 105 HA MET 105 -0.474 14.876 3.486 841 1HB MET 105 HB2 MET 105 -1.844 12.807 4.458 842 2HB MET 105 HB1 MET 105 -2.470 13.834 3.179 843 1HG MET 105 HG2 MET 105 -1.190 11.979 1.706 844 2HG MET 105 HG1 MET 105 -1.630 11.015 3.113 845 1HE MET 105 HE1 MET 105 -4.425 9.588 2.411 846 2HE MET 105 HE2 MET 105 -5.105 10.834 3.457 847 3HE MET 105 HE3 MET 105 -3.471 10.235 3.745 848 H SER 106 HN SER 106 0.177 14.837 5.593 849 HA SER 106 HA SER 106 2.585 13.562 6.228 850 1HB SER 106 HB2 SER 106 1.780 14.169 8.668 851 2HB SER 106 HB1 SER 106 2.222 15.439 7.529 852 HG SER 106 HG SER 106 -0.433 14.503 7.801 853 H LEU 107 HN LEU 107 2.921 11.467 6.528 854 HA LEU 107 HA LEU 107 0.849 9.604 7.054 855 1HB LEU 107 HB2 LEU 107 3.110 9.223 5.890 856 2HB LEU 107 HB1 LEU 107 3.773 9.073 7.505 857 HG LEU 107 HG LEU 107 3.212 6.907 6.341 858 1HD1 LEU 107 1HD1 LEU 107 1.546 6.890 8.759 859 2HD1 LEU 107 2HD1 LEU 107 3.162 7.565 8.964 860 3HD1 LEU 107 3HD1 LEU 107 2.963 5.927 8.344 861 1HD2 LEU 107 1HD2 LEU 107 0.392 7.138 7.116 862 2HD2 LEU 107 2HD2 LEU 107 1.126 6.365 5.711 863 3HD2 LEU 107 3HD2 LEU 107 0.857 8.108 5.719 864 H VAL 108 HN VAL 108 2.913 11.483 9.092 865 HA VAL 108 HA VAL 108 2.952 9.950 11.416 866 HB VAL 108 HB VAL 108 4.303 11.974 11.133 867 1HG1 VAL 108 1HG1 VAL 108 1.658 13.214 10.846 868 2HG1 VAL 108 2HG1 VAL 108 3.220 13.702 10.193 869 3HG1 VAL 108 3HG1 VAL 108 2.792 14.110 11.854 870 1HG2 VAL 108 1HG2 VAL 108 3.792 11.069 13.392 871 2HG2 VAL 108 2HG2 VAL 108 2.472 12.233 13.516 872 3HG2 VAL 108 3HG2 VAL 108 4.138 12.798 13.384 873 H GLY 109 HN GLY 109 0.306 11.537 9.911 874 1HA GLY 109 HA2 GLY 109 -1.271 11.309 12.394 875 2HA GLY 109 HA1 GLY 109 -1.633 12.427 11.089 876 H LEU 110 HN LEU 110 -0.735 9.044 10.700 877 HA LEU 110 HA LEU 110 -2.863 8.485 8.941 878 1HB LEU 110 HB2 LEU 110 -0.588 7.264 9.374 879 2HB LEU 110 HB1 LEU 110 -1.515 6.348 10.546 880 HG LEU 110 HG LEU 110 -3.048 5.621 8.762 881 1HD1 LEU 110 1HD1 LEU 110 -1.538 7.615 7.243 882 2HD1 LEU 110 2HD1 LEU 110 -3.162 6.979 6.987 883 3HD1 LEU 110 3HD1 LEU 110 -1.762 6.080 6.403 884 1HD2 LEU 110 1HD2 LEU 110 -1.718 3.888 8.213 885 2HD2 LEU 110 2HD2 LEU 110 -0.596 4.650 9.344 886 3HD2 LEU 110 3HD2 LEU 110 -0.429 4.931 7.610 887 H ASN 111 HN ASN 111 -4.905 7.703 9.269 888 HA ASN 111 HA ASN 111 -5.662 7.127 12.052 889 1HB ASN 111 HB2 ASN 111 -6.613 9.179 10.331 890 2HB ASN 111 HB1 ASN 111 -7.929 8.043 10.596 891 1HD2 ASN 111 1HD2 ASN 111 -9.139 8.421 12.296 892 2HD2 ASN 111 2HD2 ASN 111 -8.663 9.280 13.718 893 H ALA 112 HN ALA 112 -6.771 5.350 12.480 894 HA ALA 112 HA ALA 112 -7.129 3.381 10.451 895 1HB ALA 112 HB1 ALA 112 -6.564 2.979 12.909 896 2HB ALA 112 HB2 ALA 112 -7.747 1.900 12.166 897 3HB ALA 112 HB3 ALA 112 -8.286 3.210 13.218 898 H ASP 113 HN ASP 113 -9.037 5.956 11.595 899 HA ASP 113 HA ASP 113 -11.606 4.777 11.090 900 1HB ASP 113 HB2 ASP 113 -10.766 6.927 12.548 901 2HB ASP 113 HB1 ASP 113 -11.428 7.715 11.119 902 H ASP 114 HN ASP 114 -9.611 7.215 9.422 903 HA ASP 114 HA ASP 114 -11.407 7.549 7.254 904 1HB ASP 114 HB2 ASP 114 -8.812 8.207 6.349 905 2HB ASP 114 HB1 ASP 114 -10.081 9.300 6.872 906 H PHE 115 HN PHE 115 -8.792 5.336 7.867 907 HA PHE 115 HA PHE 115 -8.776 4.371 5.126 908 1HB PHE 115 HB2 PHE 115 -6.744 3.476 5.624 909 2HB PHE 115 HB1 PHE 115 -6.814 4.565 7.007 910 HD1 PHE 115 HD1 PHE 115 -8.813 3.095 8.645 911 HD2 PHE 115 HD2 PHE 115 -5.449 1.730 6.446 912 HE1 PHE 115 HE1 PHE 115 -8.617 1.173 10.162 913 HE2 PHE 115 HE2 PHE 115 -5.242 -0.197 7.957 914 HZ PHE 115 HZ PHE 115 -6.833 -0.472 9.811 915 HA PRO 116 HA PRO 116 -11.387 0.846 5.712 916 1HB PRO 116 HB2 PRO 116 -9.964 -1.323 4.903 917 2HB PRO 116 HB1 PRO 116 -10.604 -0.118 3.779 918 1HG PRO 116 HG2 PRO 116 -7.834 -0.415 4.868 919 2HG PRO 116 HG1 PRO 116 -8.355 -0.019 3.221 920 1HD PRO 116 HD2 PRO 116 -7.483 1.850 4.983 921 2HD PRO 116 HD1 PRO 116 -8.681 2.202 3.724 922 HA PRO 117 HA PRO 117 -10.357 -0.491 9.874 923 1HB PRO 117 HB2 PRO 117 -12.600 -2.017 10.262 924 2HB PRO 117 HB1 PRO 117 -12.553 -0.261 10.447 925 1HG PRO 117 HG2 PRO 117 -13.489 -1.896 8.123 926 2HG PRO 117 HG1 PRO 117 -14.221 -0.449 8.841 927 1HD PRO 117 HD2 PRO 117 -12.775 -0.323 6.581 928 2HD PRO 117 HD1 PRO 117 -12.733 0.980 7.787 929 H ALA 118 HN ALA 118 -10.807 -2.515 7.129 930 HA ALA 118 HA ALA 118 -10.469 -5.039 8.354 931 1HB ALA 118 HB1 ALA 118 -9.688 -4.363 5.533 932 2HB ALA 118 HB2 ALA 118 -11.364 -4.575 6.040 933 3HB ALA 118 HB3 ALA 118 -10.225 -5.915 6.177 934 H ASN 119 HN ASN 119 -8.268 -2.516 7.997 935 HA ASN 119 HA ASN 119 -6.011 -4.388 8.290 936 1HB ASN 119 HB2 ASN 119 -6.432 -2.280 6.378 937 2HB ASN 119 HB1 ASN 119 -5.020 -1.908 7.362 938 1HD2 ASN 119 1HD2 ASN 119 -4.072 -4.453 7.860 939 2HD2 ASN 119 2HD2 ASN 119 -3.528 -5.156 6.378 940 H GLU 120 HN GLU 120 -7.723 -3.064 10.340 941 HA GLU 120 HA GLU 120 -6.460 -0.887 11.529 942 1HB GLU 120 HB2 GLU 120 -8.603 -2.613 12.157 943 2HB GLU 120 HB1 GLU 120 -7.556 -2.564 13.567 944 1HG GLU 120 HG2 GLU 120 -8.328 -0.019 12.228 945 2HG GLU 120 HG1 GLU 120 -9.481 -0.836 13.282 946 HA PRO 121 HA PRO 121 -4.178 -4.310 14.357 947 1HB PRO 121 HB2 PRO 121 -3.635 -6.045 11.983 948 2HB PRO 121 HB1 PRO 121 -3.823 -6.491 13.683 949 1HG PRO 121 HG2 PRO 121 -5.805 -6.891 11.953 950 2HG PRO 121 HG1 PRO 121 -6.136 -6.340 13.605 951 1HD PRO 121 HD2 PRO 121 -6.234 -4.825 11.047 952 2HD PRO 121 HD1 PRO 121 -7.192 -4.612 12.526 953 H VAL 122 HN VAL 122 -3.419 -3.621 10.964 954 HA VAL 122 HA VAL 122 -0.590 -3.489 11.407 955 HB VAL 122 HB VAL 122 -2.122 -2.418 9.039 956 1HG1 VAL 122 1HG1 VAL 122 0.740 -2.949 9.640 957 2HG1 VAL 122 2HG1 VAL 122 0.000 -1.632 8.730 958 3HG1 VAL 122 3HG1 VAL 122 0.162 -3.226 7.996 959 1HG2 VAL 122 1HG2 VAL 122 -1.617 -4.621 7.994 960 2HG2 VAL 122 2HG2 VAL 122 -2.768 -4.710 9.328 961 3HG2 VAL 122 3HG2 VAL 122 -1.091 -5.198 9.576 962 H ILE 123 HN ILE 123 -3.097 -1.065 10.682 963 HA ILE 123 HA ILE 123 -1.361 1.161 10.948 964 HB ILE 123 HB ILE 123 -3.354 1.468 9.682 965 1HG1 ILE 123 2HG1 ILE 123 -4.335 3.438 10.695 966 2HG1 ILE 123 1HG1 ILE 123 -3.785 2.937 12.291 967 1HG2 ILE 123 1HG2 ILE 123 -4.859 -0.104 10.427 968 2HG2 ILE 123 2HG2 ILE 123 -5.593 1.405 10.971 969 3HG2 ILE 123 3HG2 ILE 123 -4.707 0.392 12.111 970 1HD1 ILE 123 1HD1 ILE 123 -1.827 3.919 11.995 971 2HD1 ILE 123 2HD1 ILE 123 -2.491 4.627 10.525 972 3HD1 ILE 123 3HD1 ILE 123 -1.584 3.117 10.444 973 H ALA 124 HN ALA 124 -3.296 -0.678 13.201 974 HA ALA 124 HA ALA 124 -3.475 1.101 15.326 975 1HB ALA 124 HB1 ALA 124 -3.908 -0.759 16.709 976 2HB ALA 124 HB2 ALA 124 -2.970 -1.842 15.681 977 3HB ALA 124 HB3 ALA 124 -4.515 -1.206 15.115 978 H LYS 125 HN LYS 125 -0.753 -0.666 14.098 979 HA LYS 125 HA LYS 125 0.873 -0.304 16.452 980 1HB LYS 125 HB2 LYS 125 0.981 -2.048 14.387 981 2HB LYS 125 HB1 LYS 125 2.186 -0.879 13.866 982 1HG LYS 125 HG2 LYS 125 2.530 -1.555 16.650 983 2HG LYS 125 HG1 LYS 125 2.547 -2.995 15.631 984 1HD LYS 125 HD2 LYS 125 4.096 -0.726 14.589 985 2HD LYS 125 HD1 LYS 125 4.702 -1.403 16.102 986 1HE LYS 125 HE2 LYS 125 3.946 -3.350 14.017 987 2HE LYS 125 HE1 LYS 125 5.356 -2.351 13.667 988 1HZ LYS 125 HZ1 LYS 125 4.956 -4.216 15.928 989 2HZ LYS 125 HZ2 LYS 125 6.168 -3.036 15.946 990 3HZ LYS 125 HZ3 LYS 125 6.176 -4.236 14.754 991 H LEU 126 HN LEU 126 0.833 1.111 13.180 992 HA LEU 126 HA LEU 126 2.899 3.001 13.814 993 1HB LEU 126 HB2 LEU 126 2.181 1.960 11.509 994 2HB LEU 126 HB1 LEU 126 1.080 3.324 11.470 995 HG LEU 126 HG LEU 126 3.192 3.744 10.252 996 1HD1 LEU 126 1HD1 LEU 126 1.785 5.491 11.598 997 2HD1 LEU 126 2HD1 LEU 126 3.338 5.942 10.894 998 3HD1 LEU 126 3HD1 LEU 126 3.226 5.563 12.612 999 1HD2 LEU 126 1HD2 LEU 126 4.625 3.936 12.860 1000 2HD2 LEU 126 2HD2 LEU 126 5.270 3.718 11.233 1001 3HD2 LEU 126 3HD2 LEU 126 4.488 2.370 12.059 1002 H LYS 127 HN LYS 127 -0.581 2.986 13.835 1003 HA LYS 127 HA LYS 127 -1.150 5.703 13.756 1004 1HB LYS 127 HB2 LYS 127 -2.802 3.864 13.721 1005 2HB LYS 127 HB1 LYS 127 -2.541 3.619 15.437 1006 1HG LYS 127 HG2 LYS 127 -3.568 5.610 16.012 1007 2HG LYS 127 HG1 LYS 127 -3.366 6.296 14.398 1008 1HD LYS 127 HD2 LYS 127 -5.652 5.769 14.551 1009 2HD LYS 127 HD1 LYS 127 -4.947 4.458 13.602 1010 1HE LYS 127 HE2 LYS 127 -5.367 2.916 15.188 1011 2HE LYS 127 HE1 LYS 127 -4.970 4.017 16.507 1012 1HZ LYS 127 HZ1 LYS 127 -7.457 4.411 14.985 1013 2HZ LYS 127 HZ2 LYS 127 -7.102 4.834 16.584 1014 3HZ LYS 127 HZ3 LYS 127 -7.396 3.218 16.183 1015 H ARG 128 HN ARG 128 -0.257 3.651 16.482 1016 HA ARG 128 HA ARG 128 -0.461 5.740 18.423 1017 1HB ARG 128 HB2 ARG 128 -0.671 3.323 18.972 1018 2HB ARG 128 HB1 ARG 128 1.028 3.111 18.581 1019 1HG ARG 128 HG2 ARG 128 0.988 5.191 20.427 1020 2HG ARG 128 HG1 ARG 128 -0.205 4.035 21.020 1021 1HD ARG 128 HD2 ARG 128 1.350 2.462 21.475 1022 2HD ARG 128 HD1 ARG 128 2.337 2.882 20.076 1023 HE ARG 128 HE ARG 128 2.405 4.878 22.128 1024 1HH1 ARG 128 1HH1 ARG 128 3.768 1.839 21.087 1025 2HH1 ARG 128 2HH1 ARG 128 5.251 2.064 21.952 1026 1HH2 ARG 128 1HH2 ARG 128 4.356 5.176 23.266 1027 2HH2 ARG 128 2HH2 ARG 128 5.585 3.959 23.190 1028 H LEU 129 HN LEU 129 1.627 5.250 15.917 1029 HA LEU 129 HA LEU 129 3.714 5.967 15.369 1030 1HB LEU 129 HB2 LEU 129 3.410 8.031 17.519 1031 2HB LEU 129 HB1 LEU 129 4.218 8.177 15.971 1032 HG LEU 129 HG LEU 129 1.268 7.717 16.019 1033 1HD1 LEU 129 1HD1 LEU 129 1.077 9.507 17.388 1034 2HD1 LEU 129 2HD1 LEU 129 1.324 10.383 15.878 1035 3HD1 LEU 129 3HD1 LEU 129 2.677 10.129 16.981 1036 1HD2 LEU 129 1HD2 LEU 129 2.758 7.761 13.941 1037 2HD2 LEU 129 2HD2 LEU 129 2.881 9.498 14.221 1038 3HD2 LEU 129 3HD2 LEU 129 1.305 8.763 13.925 1039 1HO1 MO2 130 1HO1 MO2 130 -4.642 -4.440 -11.705 1040 2HO1 MO2 130 2HO1 MO2 130 -5.534 -3.221 -8.309 1041 1HO2 MO2 130 1HO2 MO2 130 -3.303 -5.133 -11.817 1042 2HO2 MO2 130 2HO2 MO2 130 -5.711 -2.452 -9.600 1043 1H5* 8OG 131 1H5* ODG 131 -7.544 -5.708 -6.764 1044 2H5* 8OG 131 2H5* ODG 131 -6.445 -6.977 -6.298 1045 H4* 8OG 131 1H4* ODG 131 -7.225 -5.775 -4.350 1046 H3* 8OG 131 1H3* ODG 131 -7.539 -8.570 -4.675 1047 1H2* 8OG 131 1H2* ODG 131 -9.564 -8.993 -3.823 1048 2H2* 8OG 131 2H2* ODG 131 -9.163 -8.093 -2.378 1049 H1* 8OG 131 1H1* ODG 131 -10.420 -6.387 -3.010 1050 H1 8OG 131 H1 ODG 131 -16.375 -6.314 -3.438 1051 H7 8OG 131 H7 ODG 131 -13.316 -8.942 -6.373 1052 1H2 8OG 131 H21 ODG 131 -14.270 -4.542 -1.277 1053 2H2 8OG 131 H22 ODG 131 -15.901 -4.884 -1.749 1054 H3T 8OG 131 *HO1 ODG 131 -7.067 -6.954 -2.344 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -10.594 -20.409 0.700 2 2H MET 1 HT2 MET 1 -10.431 -21.741 -0.372 3 3H MET 1 HT3 MET 1 -11.916 -21.471 0.447 4 HA MET 1 HA MET 1 -12.270 -20.735 -1.684 5 1HB MET 1 HB2 MET 1 -12.494 -19.121 0.491 6 2HB MET 1 HB1 MET 1 -11.507 -18.111 -0.555 7 1HG MET 1 HG2 MET 1 -13.536 -17.421 -1.254 8 2HG MET 1 HG1 MET 1 -13.362 -18.811 -2.324 9 1HE MET 1 HE1 MET 1 -15.197 -17.691 1.204 10 2HE MET 1 HE2 MET 1 -16.725 -17.929 0.355 11 3HE MET 1 HE3 MET 1 -15.475 -16.900 -0.346 12 H LYS 2 HN LYS 2 -11.497 -18.358 -2.872 13 HA LYS 2 HA LYS 2 -9.017 -19.172 -4.114 14 1HB LYS 2 HB2 LYS 2 -11.280 -17.953 -5.052 15 2HB LYS 2 HB1 LYS 2 -10.177 -16.590 -4.912 16 1HG LYS 2 HG2 LYS 2 -8.532 -18.208 -6.168 17 2HG LYS 2 HG1 LYS 2 -10.036 -18.975 -6.682 18 1HD LYS 2 HD2 LYS 2 -10.020 -17.450 -8.328 19 2HD LYS 2 HD1 LYS 2 -10.583 -16.330 -7.088 20 1HE LYS 2 HE2 LYS 2 -8.794 -15.113 -7.685 21 2HE LYS 2 HE1 LYS 2 -7.898 -16.258 -6.687 22 1HZ LYS 2 HZ1 LYS 2 -8.064 -16.068 -9.606 23 2HZ LYS 2 HZ2 LYS 2 -7.849 -17.598 -8.917 24 3HZ LYS 2 HZ3 LYS 2 -6.723 -16.371 -8.620 25 H LYS 3 HN LYS 3 -7.241 -18.730 -2.936 26 HA LYS 3 HA LYS 3 -6.915 -16.571 -1.181 27 1HB LYS 3 HB2 LYS 3 -4.539 -17.128 -1.199 28 2HB LYS 3 HB1 LYS 3 -5.514 -18.590 -1.117 29 1HG LYS 3 HG2 LYS 3 -5.205 -18.858 -3.571 30 2HG LYS 3 HG1 LYS 3 -4.094 -17.487 -3.530 31 1HD LYS 3 HD2 LYS 3 -2.523 -19.064 -3.208 32 2HD LYS 3 HD1 LYS 3 -3.091 -19.038 -1.538 33 1HE LYS 3 HE2 LYS 3 -4.662 -20.767 -3.300 34 2HE LYS 3 HE1 LYS 3 -2.973 -21.252 -3.147 35 1HZ LYS 3 HZ1 LYS 3 -3.769 -22.302 -1.338 36 2HZ LYS 3 HZ2 LYS 3 -5.095 -21.265 -1.160 37 3HZ LYS 3 HZ3 LYS 3 -3.569 -20.789 -0.604 38 H LEU 4 HN LEU 4 -5.952 -14.567 -1.385 39 HA LEU 4 HA LEU 4 -5.013 -13.723 -4.013 40 1HB LEU 4 HB2 LEU 4 -6.472 -11.850 -4.181 41 2HB LEU 4 HB1 LEU 4 -7.462 -13.274 -3.925 42 HG LEU 4 HG LEU 4 -7.268 -12.494 -1.388 43 1HD1 LEU 4 1HD1 LEU 4 -6.679 -10.374 -1.015 44 2HD1 LEU 4 2HD1 LEU 4 -7.560 -9.785 -2.424 45 3HD1 LEU 4 3HD1 LEU 4 -5.931 -10.436 -2.610 46 1HD2 LEU 4 1HD2 LEU 4 -9.136 -11.653 -3.562 47 2HD2 LEU 4 2HD2 LEU 4 -9.360 -11.042 -1.923 48 3HD2 LEU 4 3HD2 LEU 4 -9.398 -12.777 -2.230 49 H GLN 5 HN GLN 5 -3.289 -12.449 -3.856 50 HA GLN 5 HA GLN 5 -2.568 -11.409 -1.219 51 1HB GLN 5 HB2 GLN 5 -0.829 -11.730 -3.660 52 2HB GLN 5 HB1 GLN 5 -0.292 -11.323 -2.036 53 1HG GLN 5 HG2 GLN 5 -1.360 -13.554 -1.354 54 2HG GLN 5 HG1 GLN 5 -1.339 -13.917 -3.073 55 1HE2 GLN 5 1HE2 GLN 5 0.722 -13.897 -4.163 56 2HE2 GLN 5 2HE2 GLN 5 2.156 -14.291 -3.285 57 H ILE 6 HN ILE 6 -1.664 -9.356 -0.975 58 HA ILE 6 HA ILE 6 -1.882 -7.446 -3.150 59 HB ILE 6 HB ILE 6 -3.033 -5.807 -1.546 60 1HG1 ILE 6 2HG1 ILE 6 -2.798 -7.522 0.384 61 2HG1 ILE 6 1HG1 ILE 6 -4.287 -6.598 0.255 62 1HG2 ILE 6 1HG2 ILE 6 -4.654 -8.089 -2.662 63 2HG2 ILE 6 2HG2 ILE 6 -4.039 -6.721 -3.590 64 3HG2 ILE 6 3HG2 ILE 6 -5.231 -6.459 -2.317 65 1HD1 ILE 6 1HD1 ILE 6 -5.334 -8.534 -0.877 66 2HD1 ILE 6 2HD1 ILE 6 -4.812 -8.873 0.772 67 3HD1 ILE 6 3HD1 ILE 6 -3.857 -9.453 -0.590 68 H ALA 7 HN ALA 7 -0.265 -5.981 -3.058 69 HA ALA 7 HA ALA 7 1.240 -5.786 -0.526 70 1HB ALA 7 HB1 ALA 7 2.849 -6.869 -1.681 71 2HB ALA 7 HB2 ALA 7 3.153 -5.270 -2.360 72 3HB ALA 7 HB3 ALA 7 2.169 -6.431 -3.246 73 H VAL 8 HN VAL 8 1.389 -3.777 0.243 74 HA VAL 8 HA VAL 8 0.964 -1.560 -1.645 75 HB VAL 8 HB VAL 8 -0.498 -0.547 -0.293 76 1HG1 VAL 8 1HG1 VAL 8 -1.958 -1.980 0.814 77 2HG1 VAL 8 2HG1 VAL 8 -0.659 -3.046 1.352 78 3HG1 VAL 8 3HG1 VAL 8 -1.146 -3.036 -0.342 79 1HG2 VAL 8 1HG2 VAL 8 1.200 -1.446 2.025 80 2HG2 VAL 8 2HG2 VAL 8 -0.288 -0.523 2.215 81 3HG2 VAL 8 3HG2 VAL 8 1.077 0.173 1.337 82 H GLY 9 HN GLY 9 1.876 0.511 -1.004 83 1HA GLY 9 HA2 GLY 9 4.164 0.420 0.789 84 2HA GLY 9 HA1 GLY 9 4.515 0.704 -0.905 85 H ILE 10 HN ILE 10 3.879 2.184 1.993 86 HA ILE 10 HA ILE 10 2.400 4.460 1.066 87 HB ILE 10 HB ILE 10 3.919 5.238 3.334 88 1HG1 ILE 10 2HG1 ILE 10 2.755 2.461 3.641 89 2HG1 ILE 10 1HG1 ILE 10 4.461 2.888 3.744 90 1HG2 ILE 10 1HG2 ILE 10 1.316 5.317 2.461 91 2HG2 ILE 10 2HG2 ILE 10 1.910 5.924 4.005 92 3HG2 ILE 10 3HG2 ILE 10 1.225 4.305 3.901 93 1HD1 ILE 10 1HD1 ILE 10 3.243 2.521 5.923 94 2HD1 ILE 10 2HD1 ILE 10 2.403 4.037 5.597 95 3HD1 ILE 10 3HD1 ILE 10 4.158 4.023 5.776 96 H ILE 11 HN ILE 11 3.250 5.716 -0.476 97 HA ILE 11 HA ILE 11 6.049 6.025 -0.874 98 HB ILE 11 HB ILE 11 4.114 7.974 -2.037 99 1HG1 ILE 11 2HG1 ILE 11 4.306 5.035 -2.686 100 2HG1 ILE 11 1HG1 ILE 11 2.861 5.999 -2.393 101 1HG2 ILE 11 1HG2 ILE 11 5.691 8.253 -3.640 102 2HG2 ILE 11 2HG2 ILE 11 6.178 6.559 -3.614 103 3HG2 ILE 11 3HG2 ILE 11 6.750 7.660 -2.361 104 1HD1 ILE 11 1HD1 ILE 11 4.665 6.245 -4.785 105 2HD1 ILE 11 2HD1 ILE 11 3.176 7.146 -4.504 106 3HD1 ILE 11 3HD1 ILE 11 3.117 5.400 -4.747 107 H ARG 12 HN ARG 12 7.412 7.330 0.090 108 HA ARG 12 HA ARG 12 6.475 9.343 1.931 109 1HB ARG 12 HB2 ARG 12 8.898 7.819 1.532 110 2HB ARG 12 HB1 ARG 12 9.259 9.523 1.765 111 1HG ARG 12 HG2 ARG 12 7.286 8.673 3.660 112 2HG ARG 12 HG1 ARG 12 8.688 7.612 3.719 113 1HD ARG 12 HD2 ARG 12 10.143 9.592 3.936 114 2HD ARG 12 HD1 ARG 12 8.708 10.617 3.953 115 HE ARG 12 HE ARG 12 8.344 10.021 6.136 116 1HH1 ARG 12 1HH1 ARG 12 10.685 7.841 4.738 117 2HH1 ARG 12 2HH1 ARG 12 11.072 7.090 6.250 118 1HH2 ARG 12 1HH2 ARG 12 8.854 9.034 8.124 119 2HH2 ARG 12 2HH2 ARG 12 10.033 7.767 8.172 120 H ASN 13 HN ASN 13 6.113 11.340 1.439 121 HA ASN 13 HA ASN 13 6.916 12.489 -1.059 122 1HB ASN 13 HB2 ASN 13 4.747 12.923 0.218 123 2HB ASN 13 HB1 ASN 13 5.697 14.013 1.183 124 1HD2 ASN 13 1HD2 ASN 13 6.214 13.528 -2.242 125 2HD2 ASN 13 2HD2 ASN 13 5.672 15.091 -2.732 126 H GLU 14 HN GLU 14 7.416 15.018 -0.640 127 HA GLU 14 HA GLU 14 10.168 15.024 0.194 128 1HB GLU 14 HB2 GLU 14 9.616 16.143 -1.842 129 2HB GLU 14 HB1 GLU 14 8.357 17.086 -1.053 130 1HG GLU 14 HG2 GLU 14 9.965 18.393 0.117 131 2HG GLU 14 HG1 GLU 14 11.279 17.324 -0.370 132 H ASN 15 HN ASN 15 7.351 15.482 1.906 133 HA ASN 15 HA ASN 15 8.765 17.177 3.853 134 1HB ASN 15 HB2 ASN 15 7.039 18.476 2.585 135 2HB ASN 15 HB1 ASN 15 5.813 17.400 3.248 136 1HD2 ASN 15 1HD2 ASN 15 8.433 19.569 4.215 137 2HD2 ASN 15 2HD2 ASN 15 7.673 20.123 5.665 138 H ASN 16 HN ASN 16 8.689 14.378 3.937 139 HA ASN 16 HA ASN 16 8.301 12.668 5.385 140 1HB ASN 16 HB2 ASN 16 8.305 15.034 6.957 141 2HB ASN 16 HB1 ASN 16 7.061 13.963 7.589 142 1HD2 ASN 16 1HD2 ASN 16 8.193 13.541 9.464 143 2HD2 ASN 16 2HD2 ASN 16 9.613 12.556 9.491 144 H GLU 17 HN GLU 17 5.986 14.127 3.780 145 HA GLU 17 HA GLU 17 3.736 12.803 5.116 146 1HB GLU 17 HB2 GLU 17 2.315 14.121 3.592 147 2HB GLU 17 HB1 GLU 17 3.376 15.155 4.535 148 1HG GLU 17 HG2 GLU 17 4.903 15.277 2.591 149 2HG GLU 17 HG1 GLU 17 3.729 14.350 1.658 150 H ILE 18 HN ILE 18 2.427 11.310 3.914 151 HA ILE 18 HA ILE 18 3.853 10.204 1.589 152 HB ILE 18 HB ILE 18 2.339 8.844 3.785 153 1HG1 ILE 18 2HG1 ILE 18 4.356 7.530 4.019 154 2HG1 ILE 18 1HG1 ILE 18 5.040 8.259 2.572 155 1HG2 ILE 18 1HG2 ILE 18 1.435 7.474 2.252 156 2HG2 ILE 18 2HG2 ILE 18 3.054 6.781 2.166 157 3HG2 ILE 18 3HG2 ILE 18 2.553 7.991 0.990 158 1HD1 ILE 18 1HD1 ILE 18 5.710 9.055 4.991 159 2HD1 ILE 18 2HD1 ILE 18 4.272 10.057 4.800 160 3HD1 ILE 18 3HD1 ILE 18 5.595 10.185 3.642 161 H PHE 19 HN PHE 19 2.770 9.659 -0.228 162 HA PHE 19 HA PHE 19 0.216 10.918 -0.659 163 1HB PHE 19 HB2 PHE 19 1.805 11.134 -2.421 164 2HB PHE 19 HB1 PHE 19 2.138 9.407 -2.431 165 HD1 PHE 19 HD1 PHE 19 -0.046 12.055 -3.609 166 HD2 PHE 19 HD2 PHE 19 0.535 7.843 -3.438 167 HE1 PHE 19 HE1 PHE 19 -1.684 11.759 -5.418 168 HE2 PHE 19 HE2 PHE 19 -1.107 7.539 -5.243 169 HZ PHE 19 HZ PHE 19 -2.219 9.499 -6.236 170 H ILE 20 HN ILE 20 -1.433 9.837 0.313 171 HA ILE 20 HA ILE 20 -1.741 6.979 -0.342 172 HB ILE 20 HB ILE 20 -3.544 7.686 1.734 173 1HG1 ILE 20 2HG1 ILE 20 -0.692 8.491 2.354 174 2HG1 ILE 20 1HG1 ILE 20 -2.053 9.599 2.208 175 1HG2 ILE 20 1HG2 ILE 20 -2.769 5.477 1.486 176 2HG2 ILE 20 2HG2 ILE 20 -2.113 6.053 3.019 177 3HG2 ILE 20 3HG2 ILE 20 -1.082 5.977 1.590 178 1HD1 ILE 20 1HD1 ILE 20 -1.510 9.142 4.533 179 2HD1 ILE 20 2HD1 ILE 20 -1.774 7.420 4.263 180 3HD1 ILE 20 3HD1 ILE 20 -3.120 8.550 4.126 181 H THR 21 HN THR 21 -4.020 6.255 -0.579 182 HA THR 21 HA THR 21 -5.454 8.092 -2.290 183 HB THR 21 HB THR 21 -6.729 6.257 -2.984 184 HG1 THR 21 HG1 THR 21 -6.987 4.394 -1.741 185 1HG2 THR 21 1HG2 THR 21 -4.034 5.941 -3.011 186 2HG2 THR 21 2HG2 THR 21 -5.189 4.873 -3.809 187 3HG2 THR 21 3HG2 THR 21 -4.562 4.459 -2.214 188 H ARG 22 HN ARG 22 -6.747 9.574 -1.422 189 HA ARG 22 HA ARG 22 -8.158 8.947 1.073 190 1HB ARG 22 HB2 ARG 22 -6.685 11.151 0.388 191 2HB ARG 22 HB1 ARG 22 -8.321 11.699 0.056 192 1HG ARG 22 HG2 ARG 22 -7.439 10.496 2.669 193 2HG ARG 22 HG1 ARG 22 -7.512 12.227 2.340 194 1HD ARG 22 HD2 ARG 22 -9.851 12.196 2.121 195 2HD ARG 22 HD1 ARG 22 -9.896 10.441 1.962 196 HE ARG 22 HE ARG 22 -9.953 10.285 4.238 197 1HH1 ARG 22 1HH1 ARG 22 -8.786 13.460 3.377 198 2HH1 ARG 22 2HH1 ARG 22 -8.783 14.038 5.009 199 1HH2 ARG 22 1HH2 ARG 22 -9.950 11.044 6.385 200 2HH2 ARG 22 2HH2 ARG 22 -9.444 12.667 6.717 201 H ARG 23 HN ARG 23 -10.169 8.264 0.872 202 HA ARG 23 HA ARG 23 -12.296 7.962 0.131 203 1HB ARG 23 HB2 ARG 23 -12.126 10.746 -1.006 204 2HB ARG 23 HB1 ARG 23 -13.548 9.904 -0.406 205 1HG ARG 23 HG2 ARG 23 -12.028 9.904 1.817 206 2HG ARG 23 HG1 ARG 23 -11.469 11.393 1.050 207 1HD ARG 23 HD2 ARG 23 -14.382 11.018 1.046 208 2HD ARG 23 HD1 ARG 23 -13.662 11.197 2.645 209 HE ARG 23 HE ARG 23 -12.734 13.177 0.809 210 1HH1 ARG 23 1HH1 ARG 23 -15.374 12.325 2.927 211 2HH1 ARG 23 2HH1 ARG 23 -15.878 13.965 3.163 212 1HH2 ARG 23 1HH2 ARG 23 -13.396 15.334 1.118 213 2HH2 ARG 23 2HH2 ARG 23 -14.756 15.673 2.136 214 H ALA 24 HN ALA 24 -9.945 7.535 -1.760 215 HA ALA 24 HA ALA 24 -9.576 6.914 -3.916 216 1HB ALA 24 HB1 ALA 24 -11.191 5.232 -3.485 217 2HB ALA 24 HB2 ALA 24 -11.557 5.890 -5.079 218 3HB ALA 24 HB3 ALA 24 -12.526 6.366 -3.685 219 H ALA 25 HN ALA 25 -12.827 8.057 -4.675 220 HA ALA 25 HA ALA 25 -12.172 10.634 -5.559 221 1HB ALA 25 HB1 ALA 25 -10.903 9.006 -7.192 222 2HB ALA 25 HB2 ALA 25 -11.690 10.465 -7.791 223 3HB ALA 25 HB3 ALA 25 -12.488 8.901 -7.959 224 H ASP 26 HN ASP 26 -14.287 9.313 -4.200 225 HA ASP 26 HA ASP 26 -16.516 10.430 -5.591 226 1HB ASP 26 HB2 ASP 26 -17.827 8.284 -5.678 227 2HB ASP 26 HB1 ASP 26 -16.500 8.379 -6.833 228 H ALA 27 HN ALA 27 -18.640 9.512 -4.343 229 HA ALA 27 HA ALA 27 -18.007 9.857 -1.489 230 1HB ALA 27 HB1 ALA 27 -19.312 11.684 -2.146 231 2HB ALA 27 HB2 ALA 27 -20.454 10.588 -1.368 232 3HB ALA 27 HB3 ALA 27 -20.381 10.682 -3.128 233 H HIS 28 HN HIS 28 -17.625 7.358 -2.087 234 HA HIS 28 HA HIS 28 -19.797 5.979 -0.781 235 1HB HIS 28 HB2 HIS 28 -20.254 6.005 -3.329 236 2HB HIS 28 HB1 HIS 28 -18.924 4.857 -3.431 237 HD1 HIS 28 HD1 HIS 28 -19.609 2.489 -3.280 238 HD2 HIS 28 HD2 HIS 28 -22.337 5.006 -1.412 239 HE1 HIS 28 HE1 HIS 28 -21.482 0.998 -2.511 240 HE2 HIS 28 HE2 HIS 28 -23.080 2.530 -1.309 241 H MET 29 HN MET 29 -16.927 6.606 -0.378 242 HA MET 29 HA MET 29 -16.121 4.195 0.799 243 1HB MET 29 HB2 MET 29 -15.277 4.609 -1.998 244 2HB MET 29 HB1 MET 29 -13.984 4.172 -0.889 245 1HG MET 29 HG2 MET 29 -15.870 2.367 -0.195 246 2HG MET 29 HG1 MET 29 -16.225 2.576 -1.909 247 1HE MET 29 HE1 MET 29 -15.892 0.039 -1.699 248 2HE MET 29 HE2 MET 29 -14.355 -0.712 -2.124 249 3HE MET 29 HE3 MET 29 -15.171 0.341 -3.280 250 H ALA 30 HN ALA 30 -16.294 6.927 1.485 251 HA ALA 30 HA ALA 30 -13.779 8.226 1.432 252 1HB ALA 30 HB1 ALA 30 -16.185 8.598 3.204 253 2HB ALA 30 HB2 ALA 30 -15.741 9.535 1.777 254 3HB ALA 30 HB3 ALA 30 -14.765 9.644 3.242 255 H ASN 31 HN ASN 31 -15.060 5.701 3.407 256 HA ASN 31 HA ASN 31 -13.051 6.107 5.471 257 1HB ASN 31 HB2 ASN 31 -14.389 3.788 6.118 258 2HB ASN 31 HB1 ASN 31 -14.767 5.390 6.726 259 1HD2 ASN 31 1HD2 ASN 31 -15.449 3.220 4.016 260 2HD2 ASN 31 2HD2 ASN 31 -17.099 3.697 3.824 261 H LYS 32 HN LYS 32 -12.510 5.160 2.635 262 HA LYS 32 HA LYS 32 -11.198 2.627 3.333 263 1HB LYS 32 HB2 LYS 32 -12.765 3.404 1.025 264 2HB LYS 32 HB1 LYS 32 -11.173 2.830 0.550 265 1HG LYS 32 HG2 LYS 32 -12.374 0.884 0.532 266 2HG LYS 32 HG1 LYS 32 -11.713 0.859 2.168 267 1HD LYS 32 HD2 LYS 32 -14.254 2.277 1.987 268 2HD LYS 32 HD1 LYS 32 -14.371 0.588 1.489 269 1HE LYS 32 HE2 LYS 32 -13.052 0.099 3.653 270 2HE LYS 32 HE1 LYS 32 -13.533 1.727 4.132 271 1HZ LYS 32 HZ1 LYS 32 -15.687 1.122 4.363 272 2HZ LYS 32 HZ2 LYS 32 -14.996 -0.391 4.666 273 3HZ LYS 32 HZ3 LYS 32 -15.629 -0.044 3.137 274 H LEU 33 HN LEU 33 -10.233 5.351 3.747 275 HA LEU 33 HA LEU 33 -8.338 6.233 1.952 276 1HB LEU 33 HB2 LEU 33 -9.114 7.173 4.245 277 2HB LEU 33 HB1 LEU 33 -7.797 6.223 4.899 278 HG LEU 33 HG LEU 33 -7.588 8.505 2.938 279 1HD1 LEU 33 1HD1 LEU 33 -6.902 8.132 5.828 280 2HD1 LEU 33 2HD1 LEU 33 -7.829 9.422 5.059 281 3HD1 LEU 33 3HD1 LEU 33 -6.080 9.343 4.843 282 1HD2 LEU 33 1HD2 LEU 33 -5.977 6.820 2.306 283 2HD2 LEU 33 2HD2 LEU 33 -5.439 6.662 3.978 284 3HD2 LEU 33 3HD2 LEU 33 -5.147 8.161 3.096 285 H GLU 34 HN GLU 34 -7.306 4.474 0.930 286 HA GLU 34 HA GLU 34 -5.333 3.076 2.613 287 1HB GLU 34 HB2 GLU 34 -7.317 1.805 1.368 288 2HB GLU 34 HB1 GLU 34 -6.187 1.883 0.023 289 1HG GLU 34 HG2 GLU 34 -5.192 0.080 0.821 290 2HG GLU 34 HG1 GLU 34 -4.684 1.025 2.218 291 H PHE 35 HN PHE 35 -3.633 2.022 0.921 292 HA PHE 35 HA PHE 35 -2.660 4.269 -0.708 293 1HB PHE 35 HB2 PHE 35 -0.432 2.689 -0.042 294 2HB PHE 35 HB1 PHE 35 -0.817 4.297 0.551 295 HD1 PHE 35 HD1 PHE 35 -0.556 4.499 2.811 296 HD2 PHE 35 HD2 PHE 35 -2.055 0.836 1.253 297 HE1 PHE 35 HE1 PHE 35 -0.746 3.612 5.095 298 HE2 PHE 35 HE2 PHE 35 -2.249 -0.059 3.536 299 HZ PHE 35 HZ PHE 35 -1.593 1.329 5.462 300 HA PRO 36 HA PRO 36 -2.223 1.898 -4.391 301 1HB PRO 36 HB2 PRO 36 0.519 2.177 -4.865 302 2HB PRO 36 HB1 PRO 36 -0.741 3.288 -5.403 303 1HG PRO 36 HG2 PRO 36 1.053 3.460 -3.026 304 2HG PRO 36 HG1 PRO 36 0.464 4.753 -4.087 305 1HD PRO 36 HD2 PRO 36 -0.578 4.390 -1.658 306 2HD PRO 36 HD1 PRO 36 -1.608 4.841 -3.033 307 H GLY 37 HN GLY 37 -1.044 0.008 -5.362 308 1HA GLY 37 HA2 GLY 37 0.430 -1.868 -5.056 309 2HA GLY 37 HA1 GLY 37 0.325 -1.606 -3.343 310 H GLY 38 HN GLY 38 -1.903 -2.180 -5.962 311 1HA GLY 38 HA2 GLY 38 -3.052 -4.438 -4.461 312 2HA GLY 38 HA1 GLY 38 -4.095 -3.235 -5.208 313 H LYS 39 HN LYS 39 -2.769 -6.244 -5.610 314 HA LYS 39 HA LYS 39 -3.588 -7.517 -7.507 315 1HB LYS 39 HB2 LYS 39 -4.124 -5.536 -8.878 316 2HB LYS 39 HB1 LYS 39 -2.407 -5.277 -9.158 317 1HG LYS 39 HG2 LYS 39 -2.380 -6.736 -10.826 318 2HG LYS 39 HG1 LYS 39 -3.166 -7.971 -9.842 319 1HD LYS 39 HD2 LYS 39 -4.615 -5.717 -11.225 320 2HD LYS 39 HD1 LYS 39 -4.447 -7.345 -11.882 321 1HE LYS 39 HE2 LYS 39 -5.900 -8.252 -10.372 322 2HE LYS 39 HE1 LYS 39 -5.518 -7.065 -9.127 323 1HZ LYS 39 HZ1 LYS 39 -6.787 -5.418 -10.364 324 2HZ LYS 39 HZ2 LYS 39 -7.751 -6.752 -9.977 325 3HZ LYS 39 HZ3 LYS 39 -7.159 -6.565 -11.551 326 H ILE 40 HN ILE 40 -0.832 -6.633 -6.067 327 HA ILE 40 HA ILE 40 1.233 -7.494 -7.725 328 HB ILE 40 HB ILE 40 2.621 -7.629 -5.878 329 1HG1 ILE 40 2HG1 ILE 40 0.629 -7.699 -3.719 330 2HG1 ILE 40 1HG1 ILE 40 0.655 -9.157 -4.699 331 1HG2 ILE 40 1HG2 ILE 40 0.685 -5.839 -4.569 332 2HG2 ILE 40 2HG2 ILE 40 1.106 -5.465 -6.236 333 3HG2 ILE 40 3HG2 ILE 40 2.368 -5.563 -5.010 334 1HD1 ILE 40 1HD1 ILE 40 3.280 -8.161 -3.839 335 2HD1 ILE 40 2HD1 ILE 40 2.653 -9.808 -3.921 336 3HD1 ILE 40 3HD1 ILE 40 2.221 -8.765 -2.566 337 H GLU 41 HN GLU 41 -1.164 -9.219 -6.039 338 HA GLU 41 HA GLU 41 -0.192 -11.707 -5.610 339 1HB GLU 41 HB2 GLU 41 -2.572 -12.468 -6.383 340 2HB GLU 41 HB1 GLU 41 -2.379 -11.460 -4.961 341 1HG GLU 41 HG2 GLU 41 -3.704 -9.928 -5.827 342 2HG GLU 41 HG1 GLU 41 -2.659 -9.757 -7.227 343 H MET 42 HN MET 42 -2.166 -11.292 -8.516 344 HA MET 42 HA MET 42 -2.124 -12.602 -10.431 345 1HB MET 42 HB2 MET 42 0.433 -11.002 -10.459 346 2HB MET 42 HB1 MET 42 -0.193 -11.850 -11.868 347 1HG MET 42 HG2 MET 42 -2.360 -10.403 -11.048 348 2HG MET 42 HG1 MET 42 -1.018 -9.325 -10.668 349 1HE MET 42 HE1 MET 42 1.059 -9.331 -12.453 350 2HE MET 42 HE2 MET 42 0.794 -9.258 -14.194 351 3HE MET 42 HE3 MET 42 0.832 -10.818 -13.372 352 H GLY 43 HN GLY 43 1.383 -12.649 -10.065 353 1HA GLY 43 HA2 GLY 43 1.514 -15.368 -9.181 354 2HA GLY 43 HA1 GLY 43 1.785 -15.217 -10.903 355 H GLU 44 HN GLU 44 2.742 -12.734 -8.702 356 HA GLU 44 HA GLU 44 5.523 -13.156 -9.477 357 1HB GLU 44 HB2 GLU 44 3.932 -10.880 -8.449 358 2HB GLU 44 HB1 GLU 44 5.619 -10.932 -7.958 359 1HG GLU 44 HG2 GLU 44 5.852 -9.742 -9.862 360 2HG GLU 44 HG1 GLU 44 5.967 -11.361 -10.550 361 H THR 45 HN THR 45 7.019 -12.246 -7.473 362 HA THR 45 HA THR 45 6.504 -14.176 -5.314 363 HB THR 45 HB THR 45 9.165 -13.025 -5.303 364 HG1 THR 45 HG1 THR 45 9.097 -12.808 -7.466 365 1HG2 THR 45 1HG2 THR 45 7.936 -15.688 -5.243 366 2HG2 THR 45 2HG2 THR 45 9.278 -15.027 -4.310 367 3HG2 THR 45 3HG2 THR 45 9.548 -15.604 -5.955 368 HA PRO 46 HA PRO 46 5.817 -11.220 -2.125 369 1HB PRO 46 HB2 PRO 46 8.066 -11.836 -0.497 370 2HB PRO 46 HB1 PRO 46 6.418 -12.436 -0.320 371 1HG PRO 46 HG2 PRO 46 8.764 -13.713 -1.614 372 2HG PRO 46 HG1 PRO 46 7.396 -14.459 -0.769 373 1HD PRO 46 HD2 PRO 46 7.581 -14.555 -3.426 374 2HD PRO 46 HD1 PRO 46 6.009 -14.318 -2.636 375 H GLU 47 HN GLU 47 8.980 -11.452 -3.610 376 HA GLU 47 HA GLU 47 9.717 -8.789 -2.682 377 1HB GLU 47 HB2 GLU 47 11.149 -11.139 -3.427 378 2HB GLU 47 HB1 GLU 47 11.645 -9.832 -4.494 379 1HG GLU 47 HG2 GLU 47 11.494 -9.131 -1.647 380 2HG GLU 47 HG1 GLU 47 12.722 -10.325 -2.069 381 H GLN 48 HN GLN 48 9.361 -10.487 -5.821 382 HA GLN 48 HA GLN 48 9.635 -8.018 -7.278 383 1HB GLN 48 HB2 GLN 48 9.356 -10.885 -7.937 384 2HB GLN 48 HB1 GLN 48 8.711 -9.764 -9.129 385 1HG GLN 48 HG2 GLN 48 11.355 -9.015 -8.170 386 2HG GLN 48 HG1 GLN 48 11.314 -10.600 -8.939 387 1HE2 GLN 48 1HE2 GLN 48 11.046 -10.748 -11.108 388 2HE2 GLN 48 2HE2 GLN 48 10.951 -9.384 -12.164 389 H ALA 49 HN ALA 49 7.022 -9.796 -5.915 390 HA ALA 49 HA ALA 49 4.911 -9.091 -7.581 391 1HB ALA 49 HB1 ALA 49 4.756 -9.329 -4.582 392 2HB ALA 49 HB2 ALA 49 4.811 -10.707 -5.682 393 3HB ALA 49 HB3 ALA 49 3.457 -9.579 -5.748 394 H VAL 50 HN VAL 50 6.207 -7.356 -4.761 395 HA VAL 50 HA VAL 50 4.409 -5.146 -5.141 396 HB VAL 50 HB VAL 50 5.223 -4.245 -3.191 397 1HG1 VAL 50 1HG1 VAL 50 6.370 -6.810 -2.371 398 2HG1 VAL 50 2HG1 VAL 50 4.791 -6.933 -3.144 399 3HG1 VAL 50 3HG1 VAL 50 4.998 -5.916 -1.719 400 1HG2 VAL 50 1HG2 VAL 50 7.504 -4.524 -2.329 401 2HG2 VAL 50 2HG2 VAL 50 7.499 -3.840 -3.956 402 3HG2 VAL 50 3HG2 VAL 50 7.897 -5.542 -3.715 403 H VAL 51 HN VAL 51 7.875 -5.701 -5.633 404 HA VAL 51 HA VAL 51 8.600 -3.166 -6.507 405 HB VAL 51 HB VAL 51 9.743 -5.787 -7.487 406 1HG1 VAL 51 1HG1 VAL 51 10.952 -4.428 -8.788 407 2HG1 VAL 51 2HG1 VAL 51 11.798 -3.984 -7.304 408 3HG1 VAL 51 3HG1 VAL 51 10.465 -2.988 -7.893 409 1HG2 VAL 51 1HG2 VAL 51 10.902 -6.033 -5.565 410 2HG2 VAL 51 2HG2 VAL 51 9.572 -5.091 -4.891 411 3HG2 VAL 51 3HG2 VAL 51 11.083 -4.295 -5.326 412 H ARG 52 HN ARG 52 7.111 -5.829 -8.252 413 HA ARG 52 HA ARG 52 7.384 -4.567 -10.805 414 1HB ARG 52 HB2 ARG 52 5.921 -6.990 -9.810 415 2HB ARG 52 HB1 ARG 52 5.615 -6.372 -11.427 416 1HG ARG 52 HG2 ARG 52 8.277 -6.466 -11.522 417 2HG ARG 52 HG1 ARG 52 7.996 -7.741 -10.335 418 1HD ARG 52 HD2 ARG 52 8.092 -8.541 -12.695 419 2HD ARG 52 HD1 ARG 52 6.596 -8.943 -11.853 420 HE ARG 52 HE ARG 52 6.464 -6.501 -13.369 421 1HH1 ARG 52 1HH1 ARG 52 6.083 -9.968 -13.481 422 2HH1 ARG 52 2HH1 ARG 52 5.015 -9.932 -14.844 423 1HH2 ARG 52 1HH2 ARG 52 5.058 -6.452 -15.161 424 2HH2 ARG 52 2HH2 ARG 52 4.433 -7.936 -15.798 425 H GLU 53 HN GLU 53 4.673 -5.140 -8.586 426 HA GLU 53 HA GLU 53 2.759 -3.726 -10.103 427 1HB GLU 53 HB2 GLU 53 2.777 -5.242 -7.746 428 2HB GLU 53 HB1 GLU 53 2.210 -3.651 -7.262 429 1HG GLU 53 HG2 GLU 53 0.935 -4.519 -9.699 430 2HG GLU 53 HG1 GLU 53 0.719 -5.695 -8.404 431 H LEU 54 HN LEU 54 5.263 -2.710 -7.948 432 HA LEU 54 HA LEU 54 4.321 -0.290 -6.997 433 1HB LEU 54 HB2 LEU 54 6.708 -1.609 -6.918 434 2HB LEU 54 HB1 LEU 54 7.107 -0.243 -7.941 435 HG LEU 54 HG LEU 54 6.251 1.272 -6.160 436 1HD1 LEU 54 1HD1 LEU 54 5.121 -1.028 -5.129 437 2HD1 LEU 54 2HD1 LEU 54 5.229 0.538 -4.325 438 3HD1 LEU 54 3HD1 LEU 54 6.463 -0.688 -4.036 439 1HD2 LEU 54 1HD2 LEU 54 8.296 -0.283 -4.752 440 2HD2 LEU 54 2HD2 LEU 54 8.307 1.398 -5.283 441 3HD2 LEU 54 3HD2 LEU 54 8.682 0.111 -6.427 442 H GLN 55 HN GLN 55 5.854 -1.016 -10.105 443 HA GLN 55 HA GLN 55 5.864 1.634 -11.081 444 1HB GLN 55 HB2 GLN 55 6.518 -0.990 -12.065 445 2HB GLN 55 HB1 GLN 55 5.575 -0.131 -13.275 446 1HG GLN 55 HG2 GLN 55 7.524 0.734 -13.910 447 2HG GLN 55 HG1 GLN 55 7.361 1.777 -12.498 448 1HE2 GLN 55 1HE2 GLN 55 9.715 0.601 -13.923 449 2HE2 GLN 55 2HE2 GLN 55 10.639 -0.170 -12.683 450 H GLU 56 HN GLU 56 3.478 -0.912 -11.022 451 HA GLU 56 HA GLU 56 1.648 0.389 -12.809 452 1HB GLU 56 HB2 GLU 56 1.905 -2.160 -12.000 453 2HB GLU 56 HB1 GLU 56 0.654 -1.636 -10.887 454 1HG GLU 56 HG2 GLU 56 -0.174 -0.677 -13.353 455 2HG GLU 56 HG1 GLU 56 0.480 -2.278 -13.696 456 H GLU 57 HN GLU 57 2.312 0.497 -9.400 457 HA GLU 57 HA GLU 57 -0.180 1.994 -8.973 458 1HB GLU 57 HB2 GLU 57 1.613 0.777 -6.875 459 2HB GLU 57 HB1 GLU 57 0.010 1.462 -6.632 460 1HG GLU 57 HG2 GLU 57 0.624 -0.974 -8.289 461 2HG GLU 57 HG1 GLU 57 -0.004 -0.990 -6.644 462 H VAL 58 HN VAL 58 2.836 2.705 -9.790 463 HA VAL 58 HA VAL 58 2.804 5.229 -8.292 464 HB VAL 58 HB VAL 58 5.333 3.659 -8.837 465 1HG1 VAL 58 1HG1 VAL 58 5.894 5.511 -6.905 466 2HG1 VAL 58 2HG1 VAL 58 4.768 6.385 -7.945 467 3HG1 VAL 58 3HG1 VAL 58 6.242 5.694 -8.624 468 1HG2 VAL 58 1HG2 VAL 58 3.424 3.372 -6.724 469 2HG2 VAL 58 2HG2 VAL 58 4.933 4.000 -6.067 470 3HG2 VAL 58 3HG2 VAL 58 4.932 2.497 -6.986 471 H GLY 59 HN GLY 59 4.111 3.383 -10.993 472 1HA GLY 59 HA2 GLY 59 4.600 3.934 -13.146 473 2HA GLY 59 HA1 GLY 59 3.368 5.159 -12.964 474 H ILE 60 HN ILE 60 5.800 5.821 -10.734 475 HA ILE 60 HA ILE 60 7.124 7.587 -12.669 476 HB ILE 60 HB ILE 60 7.620 8.684 -10.171 477 1HG1 ILE 60 2HG1 ILE 60 4.675 8.677 -10.209 478 2HG1 ILE 60 1HG1 ILE 60 5.428 7.186 -9.661 479 1HG2 ILE 60 1HG2 ILE 60 5.686 9.479 -12.327 480 2HG2 ILE 60 2HG2 ILE 60 7.367 9.983 -12.146 481 3HG2 ILE 60 3HG2 ILE 60 6.153 10.528 -10.988 482 1HD1 ILE 60 1HD1 ILE 60 5.228 8.311 -7.691 483 2HD1 ILE 60 2HD1 ILE 60 5.483 9.888 -8.440 484 3HD1 ILE 60 3HD1 ILE 60 6.849 8.802 -8.180 485 H THR 61 HN THR 61 9.223 8.481 -11.242 486 HA THR 61 HA THR 61 10.742 6.038 -10.671 487 HB THR 61 HB THR 61 12.632 7.775 -11.202 488 HG1 THR 61 HG1 THR 61 11.122 9.521 -11.365 489 1HG2 THR 61 1HG2 THR 61 12.594 7.219 -13.554 490 2HG2 THR 61 2HG2 THR 61 10.898 6.742 -13.429 491 3HG2 THR 61 3HG2 THR 61 12.145 5.804 -12.600 492 HA PRO 62 HA PRO 62 11.053 8.382 -6.764 493 1HB PRO 62 HB2 PRO 62 9.426 6.981 -5.279 494 2HB PRO 62 HB1 PRO 62 8.756 7.827 -6.681 495 1HG PRO 62 HG2 PRO 62 9.317 4.923 -6.324 496 2HG PRO 62 HG1 PRO 62 8.031 5.714 -7.255 497 1HD PRO 62 HD2 PRO 62 10.614 4.804 -8.190 498 2HD PRO 62 HD1 PRO 62 9.304 5.555 -9.119 499 H GLN 63 HN GLN 63 12.469 8.072 -5.042 500 HA GLN 63 HA GLN 63 13.932 5.581 -4.923 501 1HB GLN 63 HB2 GLN 63 14.048 7.722 -2.809 502 2HB GLN 63 HB1 GLN 63 15.309 6.603 -3.302 503 1HG GLN 63 HG2 GLN 63 15.656 7.787 -5.345 504 2HG GLN 63 HG1 GLN 63 14.265 8.823 -5.035 505 1HE2 GLN 63 1HE2 GLN 63 17.428 8.953 -5.176 506 2HE2 GLN 63 2HE2 GLN 63 17.786 10.084 -3.920 507 H HIS 64 HN HIS 64 12.112 4.301 -4.662 508 HA HIS 64 HA HIS 64 10.882 4.342 -1.992 509 1HB HIS 64 HB2 HIS 64 9.213 4.872 -3.573 510 2HB HIS 64 HB1 HIS 64 9.861 3.759 -4.737 511 HD1 HIS 64 HD1 HIS 64 9.767 1.198 -2.771 512 HD2 HIS 64 HD2 HIS 64 6.675 3.841 -3.609 513 HE1 HIS 64 HE1 HIS 64 7.657 -0.072 -2.310 514 HE2 HIS 64 HE2 HIS 64 5.803 1.576 -2.725 515 H PHE 65 HN PHE 65 11.255 2.634 -0.739 516 HA PHE 65 HA PHE 65 11.248 -0.031 -1.548 517 1HB PHE 65 HB2 PHE 65 13.446 1.026 -2.572 518 2HB PHE 65 HB1 PHE 65 14.035 0.760 -0.944 519 HD1 PHE 65 HD1 PHE 65 15.019 -1.280 -0.448 520 HD2 PHE 65 HD2 PHE 65 12.252 -1.031 -3.670 521 HE1 PHE 65 HE1 PHE 65 15.479 -3.630 -1.020 522 HE2 PHE 65 HE2 PHE 65 12.705 -3.378 -4.248 523 HZ PHE 65 HZ PHE 65 14.320 -4.680 -2.924 524 H SER 66 HN SER 66 12.367 -1.471 0.147 525 HA SER 66 HA SER 66 12.999 -1.960 2.319 526 1HB SER 66 HB2 SER 66 12.014 0.714 3.288 527 2HB SER 66 HB1 SER 66 13.210 -0.354 4.021 528 HG SER 66 HG SER 66 14.710 0.406 2.718 529 H LEU 67 HN LEU 67 11.838 -2.843 4.041 530 HA LEU 67 HA LEU 67 8.947 -2.885 3.593 531 1HB LEU 67 HB2 LEU 67 10.611 -4.942 3.835 532 2HB LEU 67 HB1 LEU 67 10.284 -4.697 5.539 533 HG LEU 67 HG LEU 67 8.840 -6.415 4.464 534 1HD1 LEU 67 1HD1 LEU 67 7.139 -5.939 5.862 535 2HD1 LEU 67 2HD1 LEU 67 6.932 -4.307 5.229 536 3HD1 LEU 67 3HD1 LEU 67 8.215 -4.645 6.391 537 1HD2 LEU 67 1HD2 LEU 67 7.523 -6.012 2.685 538 2HD2 LEU 67 2HD2 LEU 67 8.669 -4.708 2.378 539 3HD2 LEU 67 3HD2 LEU 67 7.147 -4.368 3.201 540 H PHE 68 HN PHE 68 7.478 -2.250 5.076 541 HA PHE 68 HA PHE 68 8.520 -0.953 7.494 542 1HB PHE 68 HB2 PHE 68 7.263 0.740 6.695 543 2HB PHE 68 HB1 PHE 68 6.407 -0.314 5.579 544 HD1 PHE 68 HD1 PHE 68 4.458 -1.665 6.472 545 HD2 PHE 68 HD2 PHE 68 6.228 1.550 8.624 546 HE1 PHE 68 HE1 PHE 68 2.426 -1.473 7.843 547 HE2 PHE 68 HE2 PHE 68 4.201 1.748 10.003 548 HZ PHE 68 HZ PHE 68 2.294 0.237 9.614 549 H GLU 69 HN GLU 69 5.891 -3.054 6.373 550 HA GLU 69 HA GLU 69 6.032 -4.740 8.639 551 1HB GLU 69 HB2 GLU 69 4.708 -2.437 9.241 552 2HB GLU 69 HB1 GLU 69 3.381 -3.448 8.686 553 1HG GLU 69 HG2 GLU 69 4.771 -5.124 10.359 554 2HG GLU 69 HG1 GLU 69 4.912 -3.556 11.155 555 H LYS 70 HN LYS 70 4.446 -6.480 8.553 556 HA LYS 70 HA LYS 70 2.861 -6.616 6.103 557 1HB LYS 70 HB2 LYS 70 3.765 -8.952 5.697 558 2HB LYS 70 HB1 LYS 70 4.860 -7.626 5.332 559 1HG LYS 70 HG2 LYS 70 6.333 -8.847 6.495 560 2HG LYS 70 HG1 LYS 70 5.538 -8.129 7.897 561 1HD LYS 70 HD2 LYS 70 3.919 -10.166 7.660 562 2HD LYS 70 HD1 LYS 70 5.257 -10.875 6.755 563 1HE LYS 70 HE2 LYS 70 5.463 -11.558 9.037 564 2HE LYS 70 HE1 LYS 70 6.739 -10.389 8.699 565 1HZ LYS 70 HZ1 LYS 70 4.253 -9.303 9.744 566 2HZ LYS 70 HZ2 LYS 70 5.853 -8.885 10.100 567 3HZ LYS 70 HZ3 LYS 70 5.155 -10.247 10.821 568 H LEU 71 HN LEU 71 0.918 -7.486 6.483 569 HA LEU 71 HA LEU 71 0.602 -9.249 8.812 570 1HB LEU 71 HB2 LEU 71 -0.301 -7.143 9.467 571 2HB LEU 71 HB1 LEU 71 -1.131 -6.947 7.937 572 HG LEU 71 HG LEU 71 -2.192 -9.295 8.949 573 1HD1 LEU 71 1HD1 LEU 71 -2.979 -8.542 11.224 574 2HD1 LEU 71 2HD1 LEU 71 -1.706 -7.322 11.165 575 3HD1 LEU 71 3HD1 LEU 71 -1.289 -9.035 11.119 576 1HD2 LEU 71 1HD2 LEU 71 -3.740 -7.976 7.950 577 2HD2 LEU 71 2HD2 LEU 71 -3.068 -6.489 8.620 578 3HD2 LEU 71 3HD2 LEU 71 -4.079 -7.531 9.622 579 H GLU 72 HN GLU 72 -0.239 -11.164 8.310 580 HA GLU 72 HA GLU 72 -1.768 -11.407 5.808 581 1HB GLU 72 HB2 GLU 72 0.194 -12.625 5.439 582 2HB GLU 72 HB1 GLU 72 0.258 -13.209 7.094 583 1HG GLU 72 HG2 GLU 72 -1.407 -14.806 6.712 584 2HG GLU 72 HG1 GLU 72 -1.913 -14.044 5.206 585 H TYR 73 HN TYR 73 -3.848 -11.813 6.119 586 HA TYR 73 HA TYR 73 -4.644 -13.606 8.297 587 1HB TYR 73 HB2 TYR 73 -4.938 -11.123 8.889 588 2HB TYR 73 HB1 TYR 73 -6.220 -11.112 7.682 589 HD1 TYR 73 HD1 TYR 73 -5.132 -12.958 10.738 590 HD2 TYR 73 HD2 TYR 73 -8.383 -11.654 8.323 591 HE1 TYR 73 HE1 TYR 73 -6.713 -13.801 12.421 592 HE2 TYR 73 HE2 TYR 73 -9.973 -12.494 10.000 593 HH TYR 73 HH TYR 73 -10.045 -13.042 12.359 594 H GLU 74 HN GLU 74 -6.231 -15.024 7.762 595 HA GLU 74 HA GLU 74 -7.334 -14.779 5.048 596 1HB GLU 74 HB2 GLU 74 -7.717 -17.270 5.244 597 2HB GLU 74 HB1 GLU 74 -6.039 -16.756 5.154 598 1HG GLU 74 HG2 GLU 74 -6.135 -16.848 7.739 599 2HG GLU 74 HG1 GLU 74 -7.566 -17.842 7.480 600 H PHE 75 HN PHE 75 -9.378 -14.300 4.873 601 HA PHE 75 HA PHE 75 -11.145 -14.184 7.092 602 1HB PHE 75 HB2 PHE 75 -11.138 -13.375 4.304 603 2HB PHE 75 HB1 PHE 75 -12.694 -14.051 4.767 604 HD1 PHE 75 HD1 PHE 75 -10.277 -12.038 6.750 605 HD2 PHE 75 HD2 PHE 75 -14.131 -12.249 4.957 606 HE1 PHE 75 HE1 PHE 75 -10.882 -9.901 7.809 607 HE2 PHE 75 HE2 PHE 75 -14.744 -10.112 6.013 608 HZ PHE 75 HZ PHE 75 -13.118 -8.935 7.440 609 HA PRO 76 HA PRO 76 -13.305 -17.998 7.445 610 1HB PRO 76 HB2 PRO 76 -15.811 -17.206 6.313 611 2HB PRO 76 HB1 PRO 76 -15.387 -17.349 8.019 612 1HG PRO 76 HG2 PRO 76 -15.459 -14.952 6.288 613 2HG PRO 76 HG1 PRO 76 -15.660 -15.082 8.045 614 1HD PRO 76 HD2 PRO 76 -13.429 -14.067 6.949 615 2HD PRO 76 HD1 PRO 76 -13.370 -15.038 8.432 616 H ASP 77 HN ASP 77 -11.915 -18.813 5.772 617 HA ASP 77 HA ASP 77 -11.935 -20.471 4.116 618 1HB ASP 77 HB2 ASP 77 -14.519 -20.060 3.970 619 2HB ASP 77 HB1 ASP 77 -14.091 -19.081 2.569 620 H ARG 78 HN ARG 78 -12.109 -17.040 3.644 621 HA ARG 78 HA ARG 78 -10.638 -17.170 1.134 622 1HB ARG 78 HB2 ARG 78 -12.517 -15.487 1.715 623 2HB ARG 78 HB1 ARG 78 -11.278 -14.647 2.637 624 1HG ARG 78 HG2 ARG 78 -10.237 -13.878 0.796 625 2HG ARG 78 HG1 ARG 78 -10.550 -15.349 -0.127 626 1HD ARG 78 HD2 ARG 78 -11.922 -13.909 -1.241 627 2HD ARG 78 HD1 ARG 78 -13.039 -14.474 0.000 628 HE ARG 78 HE ARG 78 -11.744 -12.236 1.016 629 1HH1 ARG 78 1HH1 ARG 78 -13.914 -13.011 -1.605 630 2HH1 ARG 78 2HH1 ARG 78 -14.648 -11.442 -1.626 631 1HH2 ARG 78 1HH2 ARG 78 -12.708 -10.174 0.990 632 2HH2 ARG 78 2HH2 ARG 78 -13.963 -9.831 -0.154 633 H HIS 79 HN HIS 79 -8.567 -16.257 0.839 634 HA HIS 79 HA HIS 79 -7.006 -15.941 3.318 635 1HB HIS 79 HB2 HIS 79 -6.462 -18.038 2.146 636 2HB HIS 79 HB1 HIS 79 -6.081 -17.124 0.691 637 HD1 HIS 79 HD1 HIS 79 -3.646 -18.040 0.756 638 HD2 HIS 79 HD2 HIS 79 -4.712 -15.747 4.052 639 HE1 HIS 79 HE1 HIS 79 -1.488 -17.507 1.929 640 HE2 HIS 79 HE2 HIS 79 -2.166 -16.191 3.968 641 H ILE 80 HN ILE 80 -6.813 -13.774 3.490 642 HA ILE 80 HA ILE 80 -6.006 -12.253 1.120 643 HB ILE 80 HB ILE 80 -7.846 -11.694 3.182 644 1HG1 ILE 80 2HG1 ILE 80 -6.939 -9.560 1.318 645 2HG1 ILE 80 1HG1 ILE 80 -7.582 -11.049 0.630 646 1HG2 ILE 80 1HG2 ILE 80 -6.059 -10.818 4.564 647 2HG2 ILE 80 2HG2 ILE 80 -7.096 -9.509 4.002 648 3HG2 ILE 80 3HG2 ILE 80 -5.526 -9.773 3.246 649 1HD1 ILE 80 1HD1 ILE 80 -8.957 -8.844 1.918 650 2HD1 ILE 80 2HD1 ILE 80 -9.424 -10.417 2.563 651 3HD1 ILE 80 3HD1 ILE 80 -9.575 -10.092 0.836 652 H THR 81 HN THR 81 -3.983 -11.588 0.897 653 HA THR 81 HA THR 81 -2.253 -11.508 3.285 654 HB THR 81 HB THR 81 -1.050 -11.827 0.582 655 HG1 THR 81 HG1 THR 81 -1.408 -14.092 0.699 656 1HG2 THR 81 1HG2 THR 81 0.077 -11.830 2.975 657 2HG2 THR 81 2HG2 THR 81 0.679 -12.821 1.646 658 3HG2 THR 81 3HG2 THR 81 -0.347 -13.540 2.887 659 H LEU 82 HN LEU 82 -1.664 -9.492 3.811 660 HA LEU 82 HA LEU 82 -1.320 -7.551 1.628 661 1HB LEU 82 HB2 LEU 82 -2.052 -5.817 3.365 662 2HB LEU 82 HB1 LEU 82 -3.282 -6.803 2.601 663 HG LEU 82 HG LEU 82 -2.776 -8.292 4.807 664 1HD1 LEU 82 1HD1 LEU 82 -1.320 -6.982 6.002 665 2HD1 LEU 82 2HD1 LEU 82 -2.867 -6.431 6.639 666 3HD1 LEU 82 3HD1 LEU 82 -2.025 -5.475 5.421 667 1HD2 LEU 82 1HD2 LEU 82 -4.975 -7.969 4.777 668 2HD2 LEU 82 2HD2 LEU 82 -4.806 -6.447 3.903 669 3HD2 LEU 82 3HD2 LEU 82 -4.697 -6.471 5.663 670 H TRP 83 HN TRP 83 0.719 -6.975 1.455 671 HA TRP 83 HA TRP 83 2.397 -6.913 3.867 672 1HB TRP 83 HB2 TRP 83 3.145 -7.066 0.938 673 2HB TRP 83 HB1 TRP 83 4.310 -6.909 2.249 674 HD1 TRP 83 HD1 TRP 83 1.270 -9.240 2.434 675 HE1 TRP 83 HE1 TRP 83 2.108 -11.666 2.588 676 HE3 TRP 83 HE3 TRP 83 6.262 -8.411 1.743 677 HZ2 TRP 83 HZ2 TRP 83 4.568 -13.048 2.437 678 HZ3 TRP 83 HZ3 TRP 83 7.793 -10.337 1.762 679 HH2 TRP 83 HH2 TRP 83 6.961 -12.607 2.102 680 H PHE 84 HN PHE 84 2.905 -5.005 4.695 681 HA PHE 84 HA PHE 84 2.427 -2.604 3.096 682 1HB PHE 84 HB2 PHE 84 2.759 -3.072 6.052 683 2HB PHE 84 HB1 PHE 84 2.861 -1.457 5.369 684 HD1 PHE 84 HD1 PHE 84 0.959 -0.725 6.713 685 HD2 PHE 84 HD2 PHE 84 0.584 -3.895 3.890 686 HE1 PHE 84 HE1 PHE 84 -1.489 -0.531 6.817 687 HE2 PHE 84 HE2 PHE 84 -1.863 -3.702 3.994 688 HZ PHE 84 HZ PHE 84 -2.903 -2.018 5.457 689 H TRP 85 HN TRP 85 4.100 -1.945 1.921 690 HA TRP 85 HA TRP 85 6.817 -2.353 2.911 691 1HB TRP 85 HB2 TRP 85 5.717 -1.642 0.197 692 2HB TRP 85 HB1 TRP 85 7.442 -1.612 0.564 693 HD1 TRP 85 HD1 TRP 85 4.568 -4.197 0.997 694 HE1 TRP 85 HE1 TRP 85 5.490 -6.509 0.358 695 HE3 TRP 85 HE3 TRP 85 9.379 -2.872 -0.116 696 HZ2 TRP 85 HZ2 TRP 85 7.936 -7.628 -0.506 697 HZ3 TRP 85 HZ3 TRP 85 10.946 -4.624 -0.841 698 HH2 TRP 85 HH2 TRP 85 10.239 -6.953 -1.031 699 H LEU 86 HN LEU 86 8.352 -0.723 3.038 700 HA LEU 86 HA LEU 86 7.232 1.912 3.592 701 1HB LEU 86 HB2 LEU 86 8.630 0.753 5.275 702 2HB LEU 86 HB1 LEU 86 9.986 0.833 4.169 703 HG LEU 86 HG LEU 86 9.943 2.559 6.018 704 1HD1 LEU 86 1HD1 LEU 86 11.208 3.907 4.746 705 2HD1 LEU 86 2HD1 LEU 86 9.947 4.122 3.532 706 3HD1 LEU 86 3HD1 LEU 86 10.950 2.672 3.514 707 1HD2 LEU 86 1HD2 LEU 86 7.356 2.938 5.293 708 2HD2 LEU 86 2HD2 LEU 86 8.147 4.272 4.453 709 3HD2 LEU 86 3HD2 LEU 86 8.323 4.101 6.199 710 H VAL 87 HN VAL 87 7.783 3.733 2.577 711 HA VAL 87 HA VAL 87 9.661 3.600 0.302 712 HB VAL 87 HB VAL 87 7.214 5.323 0.438 713 1HG1 VAL 87 1HG1 VAL 87 8.391 6.370 -1.164 714 2HG1 VAL 87 2HG1 VAL 87 7.813 5.052 -2.179 715 3HG1 VAL 87 3HG1 VAL 87 9.417 4.974 -1.460 716 1HG2 VAL 87 1HG2 VAL 87 7.628 2.644 -0.881 717 2HG2 VAL 87 2HG2 VAL 87 6.254 3.708 -1.215 718 3HG2 VAL 87 3HG2 VAL 87 6.477 3.032 0.400 719 H GLU 88 HN GLU 88 10.971 5.461 -0.037 720 HA GLU 88 HA GLU 88 10.786 7.315 2.241 721 1HB GLU 88 HB2 GLU 88 13.251 7.660 1.999 722 2HB GLU 88 HB1 GLU 88 12.770 6.044 2.497 723 1HG GLU 88 HG2 GLU 88 14.287 5.473 0.931 724 2HG GLU 88 HG1 GLU 88 12.885 5.628 -0.123 725 H ARG 89 HN ARG 89 10.903 7.268 -1.252 726 HA ARG 89 HA ARG 89 10.404 10.092 -1.258 727 1HB ARG 89 HB2 ARG 89 12.715 10.396 -1.084 728 2HB ARG 89 HB1 ARG 89 13.070 9.023 -2.115 729 1HG ARG 89 HG2 ARG 89 13.622 10.908 -3.379 730 2HG ARG 89 HG1 ARG 89 12.067 10.378 -4.015 731 1HD ARG 89 HD2 ARG 89 11.667 12.620 -3.800 732 2HD ARG 89 HD1 ARG 89 11.142 12.063 -2.211 733 HE ARG 89 HE ARG 89 12.791 13.343 -1.316 734 1HH1 ARG 89 1HH1 ARG 89 13.717 12.528 -4.580 735 2HH1 ARG 89 2HH1 ARG 89 15.173 13.464 -4.535 736 1HH2 ARG 89 1HH2 ARG 89 14.706 14.576 -1.255 737 2HH2 ARG 89 2HH2 ARG 89 15.734 14.627 -2.648 738 H TRP 90 HN TRP 90 9.974 10.949 -3.423 739 HA TRP 90 HA TRP 90 9.776 9.110 -5.599 740 1HB TRP 90 HB2 TRP 90 7.511 8.761 -5.730 741 2HB TRP 90 HB1 TRP 90 7.704 8.837 -3.988 742 HD1 TRP 90 HD1 TRP 90 6.807 11.304 -6.858 743 HE1 TRP 90 HE1 TRP 90 4.976 12.882 -5.980 744 HE3 TRP 90 HE3 TRP 90 6.491 9.582 -2.055 745 HZ2 TRP 90 HZ2 TRP 90 3.570 13.325 -3.579 746 HZ3 TRP 90 HZ3 TRP 90 4.867 10.635 -0.532 747 HH2 TRP 90 HH2 TRP 90 3.441 12.470 -1.280 748 H GLU 91 HN GLU 91 10.168 10.157 -7.437 749 HA GLU 91 HA GLU 91 10.315 13.028 -7.413 750 1HB GLU 91 HB2 GLU 91 10.931 10.892 -9.426 751 2HB GLU 91 HB1 GLU 91 10.871 12.578 -9.920 752 1HG GLU 91 HG2 GLU 91 12.452 12.655 -7.678 753 2HG GLU 91 HG1 GLU 91 12.913 11.133 -8.439 754 H GLY 92 HN GLY 92 9.169 14.477 -8.732 755 1HA GLY 92 HA2 GLY 92 7.275 15.352 -9.686 756 2HA GLY 92 HA1 GLY 92 7.158 13.827 -10.553 757 H GLU 93 HN GLU 93 5.175 13.047 -10.364 758 HA GLU 93 HA GLU 93 3.947 13.006 -7.694 759 1HB GLU 93 HB2 GLU 93 2.811 13.969 -10.273 760 2HB GLU 93 HB1 GLU 93 1.737 13.119 -9.171 761 1HG GLU 93 HG2 GLU 93 2.953 14.883 -7.497 762 2HG GLU 93 HG1 GLU 93 2.879 15.805 -8.998 763 HA PRO 94 HA PRO 94 3.491 8.683 -8.609 764 1HB PRO 94 HB2 PRO 94 1.514 8.446 -6.507 765 2HB PRO 94 HB1 PRO 94 3.195 7.909 -6.502 766 1HG PRO 94 HG2 PRO 94 2.275 9.944 -4.944 767 2HG PRO 94 HG1 PRO 94 3.947 9.844 -5.529 768 1HD PRO 94 HD2 PRO 94 1.654 11.451 -6.608 769 2HD PRO 94 HD1 PRO 94 3.346 11.931 -6.362 770 H TRP 95 HN TRP 95 2.305 7.710 -10.135 771 HA TRP 95 HA TRP 95 -0.551 8.368 -10.212 772 1HB TRP 95 HB2 TRP 95 -0.482 8.192 -12.690 773 2HB TRP 95 HB1 TRP 95 0.425 9.551 -12.049 774 HD1 TRP 95 HD1 TRP 95 3.013 9.615 -12.515 775 HE1 TRP 95 HE1 TRP 95 4.550 8.305 -14.119 776 HE3 TRP 95 HE3 TRP 95 -0.101 5.712 -13.593 777 HZ2 TRP 95 HZ2 TRP 95 4.428 5.939 -15.655 778 HZ3 TRP 95 HZ3 TRP 95 0.677 3.975 -15.147 779 HH2 TRP 95 HH2 TRP 95 2.901 4.081 -16.147 780 H GLY 96 HN GLY 96 1.773 6.045 -11.594 781 1HA GLY 96 HA2 GLY 96 1.564 3.782 -11.989 782 2HA GLY 96 HA1 GLY 96 0.777 3.759 -10.422 783 H LYS 97 HN LYS 97 -1.540 4.247 -10.383 784 HA LYS 97 HA LYS 97 -3.628 4.489 -11.562 785 1HB LYS 97 HB2 LYS 97 -2.526 4.085 -13.794 786 2HB LYS 97 HB1 LYS 97 -2.605 2.362 -13.449 787 1HG LYS 97 HG2 LYS 97 -4.467 2.783 -14.785 788 2HG LYS 97 HG1 LYS 97 -5.113 2.719 -13.144 789 1HD LYS 97 HD2 LYS 97 -5.834 4.828 -13.260 790 2HD LYS 97 HD1 LYS 97 -4.271 5.398 -13.845 791 1HE LYS 97 HE2 LYS 97 -5.095 4.270 -16.086 792 2HE LYS 97 HE1 LYS 97 -6.682 4.546 -15.369 793 1HZ LYS 97 HZ1 LYS 97 -4.608 6.606 -15.897 794 2HZ LYS 97 HZ2 LYS 97 -6.081 6.898 -15.118 795 3HZ LYS 97 HZ3 LYS 97 -6.063 6.407 -16.737 796 H GLU 98 HN GLU 98 -3.395 3.471 -9.265 797 HA GLU 98 HA GLU 98 -3.868 0.629 -9.148 798 1HB GLU 98 HB2 GLU 98 -3.942 0.901 -6.769 799 2HB GLU 98 HB1 GLU 98 -2.630 1.897 -7.380 800 1HG GLU 98 HG2 GLU 98 -3.509 3.487 -6.093 801 2HG GLU 98 HG1 GLU 98 -4.693 3.663 -7.386 802 H GLY 99 HN GLY 99 -5.785 3.572 -9.055 803 1HA GLY 99 HA2 GLY 99 -8.071 3.227 -9.992 804 2HA GLY 99 HA1 GLY 99 -8.206 1.884 -8.871 805 H GLN 100 HN GLN 100 -6.556 4.188 -7.205 806 HA GLN 100 HA GLN 100 -8.942 5.670 -6.377 807 1HB GLN 100 HB2 GLN 100 -7.293 3.861 -4.646 808 2HB GLN 100 HB1 GLN 100 -8.084 5.267 -3.949 809 1HG GLN 100 HG2 GLN 100 -9.785 3.858 -3.623 810 2HG GLN 100 HG1 GLN 100 -10.135 4.174 -5.322 811 1HE2 GLN 100 1HE2 GLN 100 -9.615 1.820 -3.047 812 2HE2 GLN 100 2HE2 GLN 100 -9.283 0.489 -4.097 813 HA PRO 101 HA PRO 101 -5.669 8.764 -7.176 814 1HB PRO 101 HB2 PRO 101 -8.113 10.233 -6.242 815 2HB PRO 101 HB1 PRO 101 -6.960 10.682 -7.507 816 1HG PRO 101 HG2 PRO 101 -9.279 9.628 -8.181 817 2HG PRO 101 HG1 PRO 101 -7.800 9.087 -8.999 818 1HD PRO 101 HD2 PRO 101 -9.432 7.705 -6.924 819 2HD PRO 101 HD1 PRO 101 -8.503 7.021 -8.274 820 H GLY 102 HN GLY 102 -4.361 9.896 -5.780 821 1HA GLY 102 HA2 GLY 102 -5.195 10.042 -2.956 822 2HA GLY 102 HA1 GLY 102 -3.632 9.369 -3.385 823 H GLU 103 HN GLU 103 -3.423 11.293 -1.678 824 HA GLU 103 HA GLU 103 -2.243 13.479 -3.192 825 1HB GLU 103 HB2 GLU 103 -4.655 13.741 -1.518 826 2HB GLU 103 HB1 GLU 103 -3.392 14.915 -1.169 827 1HG GLU 103 HG2 GLU 103 -3.952 14.564 -4.019 828 2HG GLU 103 HG1 GLU 103 -5.307 15.187 -3.078 829 H TRP 104 HN TRP 104 -0.727 14.754 -1.883 830 HA TRP 104 HA TRP 104 0.775 13.105 -0.133 831 1HB TRP 104 HB2 TRP 104 1.141 16.078 -0.088 832 2HB TRP 104 HB1 TRP 104 2.358 14.807 -0.070 833 HD1 TRP 104 HD1 TRP 104 1.139 13.362 -2.780 834 HE1 TRP 104 HE1 TRP 104 1.711 14.447 -5.042 835 HE3 TRP 104 HE3 TRP 104 2.364 18.047 -1.144 836 HZ2 TRP 104 HZ2 TRP 104 2.568 16.958 -6.006 837 HZ3 TRP 104 HZ3 TRP 104 3.050 19.732 -2.801 838 HH2 TRP 104 HH2 TRP 104 3.150 19.197 -5.181 839 H MET 105 HN MET 105 -0.031 12.490 1.766 840 HA MET 105 HA MET 105 -1.171 14.560 3.529 841 1HB MET 105 HB2 MET 105 -1.847 11.679 3.925 842 2HB MET 105 HB1 MET 105 -2.785 13.111 4.320 843 1HG MET 105 HG2 MET 105 -2.897 13.381 1.718 844 2HG MET 105 HG1 MET 105 -2.542 11.655 1.737 845 1HE MET 105 HE1 MET 105 -4.372 14.325 3.468 846 2HE MET 105 HE2 MET 105 -5.551 13.429 4.426 847 3HE MET 105 HE3 MET 105 -6.011 14.094 2.858 848 H SER 106 HN SER 106 -0.843 14.184 5.851 849 HA SER 106 HA SER 106 1.875 13.382 6.354 850 1HB SER 106 HB2 SER 106 1.305 14.036 8.732 851 2HB SER 106 HB1 SER 106 1.094 15.314 7.535 852 HG SER 106 HG SER 106 -0.927 13.686 8.681 853 H LEU 107 HN LEU 107 2.431 11.336 6.645 854 HA LEU 107 HA LEU 107 0.507 9.342 7.435 855 1HB LEU 107 HB2 LEU 107 2.875 9.343 5.975 856 2HB LEU 107 HB1 LEU 107 3.274 8.462 7.437 857 HG LEU 107 HG LEU 107 2.523 7.012 5.565 858 1HD1 LEU 107 1HD1 LEU 107 0.699 5.845 6.957 859 2HD1 LEU 107 2HD1 LEU 107 1.026 7.097 8.156 860 3HD1 LEU 107 3HD1 LEU 107 2.314 6.005 7.647 861 1HD2 LEU 107 1HD2 LEU 107 0.466 7.155 4.589 862 2HD2 LEU 107 2HD2 LEU 107 0.729 8.859 4.956 863 3HD2 LEU 107 3HD2 LEU 107 -0.284 7.876 6.013 864 H VAL 108 HN VAL 108 2.788 11.348 9.014 865 HA VAL 108 HA VAL 108 3.567 9.811 11.192 866 HB VAL 108 HB VAL 108 2.960 12.768 11.257 867 1HG1 VAL 108 1HG1 VAL 108 4.825 11.064 12.905 868 2HG1 VAL 108 2HG1 VAL 108 3.328 11.816 13.457 869 3HG1 VAL 108 3HG1 VAL 108 4.701 12.821 12.993 870 1HG2 VAL 108 1HG2 VAL 108 5.739 11.991 10.867 871 2HG2 VAL 108 2HG2 VAL 108 4.771 13.199 10.022 872 3HG2 VAL 108 3HG2 VAL 108 4.697 11.507 9.529 873 H GLY 109 HN GLY 109 0.450 11.043 10.423 874 1HA GLY 109 HA2 GLY 109 -0.509 10.112 13.040 875 2HA GLY 109 HA1 GLY 109 -1.005 11.689 12.453 876 H LEU 110 HN LEU 110 -0.702 8.506 10.879 877 HA LEU 110 HA LEU 110 -3.011 8.837 9.298 878 1HB LEU 110 HB2 LEU 110 -1.092 7.208 8.941 879 2HB LEU 110 HB1 LEU 110 -1.848 6.192 10.154 880 HG LEU 110 HG LEU 110 -3.564 7.054 7.895 881 1HD1 LEU 110 1HD1 LEU 110 -2.667 5.098 6.561 882 2HD1 LEU 110 2HD1 LEU 110 -1.247 5.163 7.605 883 3HD1 LEU 110 3HD1 LEU 110 -1.665 6.548 6.597 884 1HD2 LEU 110 1HD2 LEU 110 -4.177 4.581 8.130 885 2HD2 LEU 110 2HD2 LEU 110 -4.611 5.662 9.452 886 3HD2 LEU 110 3HD2 LEU 110 -3.202 4.613 9.600 887 H ASN 111 HN ASN 111 -5.098 7.876 9.487 888 HA ASN 111 HA ASN 111 -5.818 7.224 12.260 889 1HB ASN 111 HB2 ASN 111 -6.844 9.206 10.474 890 2HB ASN 111 HB1 ASN 111 -8.123 8.061 10.857 891 1HD2 ASN 111 1HD2 ASN 111 -7.488 7.370 13.428 892 2HD2 ASN 111 2HD2 ASN 111 -7.654 8.749 14.456 893 H ALA 112 HN ALA 112 -6.845 5.421 12.714 894 HA ALA 112 HA ALA 112 -7.193 3.424 10.707 895 1HB ALA 112 HB1 ALA 112 -7.654 1.942 12.438 896 2HB ALA 112 HB2 ALA 112 -8.345 3.200 13.465 897 3HB ALA 112 HB3 ALA 112 -6.601 3.127 13.211 898 H ASP 113 HN ASP 113 -9.131 5.968 11.869 899 HA ASP 113 HA ASP 113 -11.687 4.735 11.434 900 1HB ASP 113 HB2 ASP 113 -10.953 6.828 12.923 901 2HB ASP 113 HB1 ASP 113 -11.418 7.698 11.465 902 H ASP 114 HN ASP 114 -9.765 7.184 9.694 903 HA ASP 114 HA ASP 114 -11.600 7.478 7.561 904 1HB ASP 114 HB2 ASP 114 -9.031 8.098 6.570 905 2HB ASP 114 HB1 ASP 114 -10.270 9.211 7.116 906 H PHE 115 HN PHE 115 -8.787 5.411 8.023 907 HA PHE 115 HA PHE 115 -8.889 4.358 5.348 908 1HB PHE 115 HB2 PHE 115 -6.870 3.438 5.854 909 2HB PHE 115 HB1 PHE 115 -6.939 4.484 7.277 910 HD1 PHE 115 HD1 PHE 115 -5.969 1.397 6.403 911 HD2 PHE 115 HD2 PHE 115 -8.706 3.251 9.054 912 HE1 PHE 115 HE1 PHE 115 -5.892 -0.575 7.859 913 HE2 PHE 115 HE2 PHE 115 -8.635 1.285 10.531 914 HZ PHE 115 HZ PHE 115 -7.227 -0.635 9.927 915 HA PRO 116 HA PRO 116 -11.578 0.902 6.034 916 1HB PRO 116 HB2 PRO 116 -10.363 -1.202 4.874 917 2HB PRO 116 HB1 PRO 116 -10.984 0.157 3.928 918 1HG PRO 116 HG2 PRO 116 -8.180 -0.431 4.788 919 2HG PRO 116 HG1 PRO 116 -8.771 0.165 3.227 920 1HD PRO 116 HD2 PRO 116 -7.678 1.775 5.150 921 2HD PRO 116 HD1 PRO 116 -8.859 2.337 3.952 922 HA PRO 117 HA PRO 117 -10.211 -0.769 9.974 923 1HB PRO 117 HB2 PRO 117 -12.342 -2.519 10.258 924 2HB PRO 117 HB1 PRO 117 -12.339 -0.825 10.754 925 1HG PRO 117 HG2 PRO 117 -13.424 -2.071 8.265 926 2HG PRO 117 HG1 PRO 117 -14.105 -0.768 9.258 927 1HD PRO 117 HD2 PRO 117 -12.870 -0.247 6.943 928 2HD PRO 117 HD1 PRO 117 -12.696 0.835 8.342 929 H ALA 118 HN ALA 118 -10.670 -2.558 7.068 930 HA ALA 118 HA ALA 118 -10.151 -5.161 7.973 931 1HB ALA 118 HB1 ALA 118 -11.059 -4.859 5.804 932 2HB ALA 118 HB2 ALA 118 -9.465 -5.585 5.602 933 3HB ALA 118 HB3 ALA 118 -9.693 -3.863 5.300 934 H ASN 119 HN ASN 119 -8.044 -2.496 7.923 935 HA ASN 119 HA ASN 119 -5.754 -4.315 8.233 936 1HB ASN 119 HB2 ASN 119 -6.137 -2.311 6.196 937 2HB ASN 119 HB1 ASN 119 -4.740 -1.897 7.183 938 1HD2 ASN 119 1HD2 ASN 119 -5.578 -3.373 4.455 939 2HD2 ASN 119 2HD2 ASN 119 -4.330 -4.562 4.336 940 H GLU 120 HN GLU 120 -7.216 -3.352 10.386 941 HA GLU 120 HA GLU 120 -6.035 -0.958 11.427 942 1HB GLU 120 HB2 GLU 120 -8.253 -2.575 12.070 943 2HB GLU 120 HB1 GLU 120 -7.221 -2.561 13.492 944 1HG GLU 120 HG2 GLU 120 -7.182 -0.056 13.304 945 2HG GLU 120 HG1 GLU 120 -8.436 -0.210 12.075 946 HA PRO 121 HA PRO 121 -3.886 -4.415 14.343 947 1HB PRO 121 HB2 PRO 121 -3.305 -6.128 11.959 948 2HB PRO 121 HB1 PRO 121 -3.521 -6.595 13.651 949 1HG PRO 121 HG2 PRO 121 -5.479 -6.965 11.888 950 2HG PRO 121 HG1 PRO 121 -5.834 -6.428 13.539 951 1HD PRO 121 HD2 PRO 121 -5.889 -4.891 10.995 952 2HD PRO 121 HD1 PRO 121 -6.861 -4.681 12.464 953 H VAL 122 HN VAL 122 -3.025 -3.807 10.955 954 HA VAL 122 HA VAL 122 -0.218 -3.588 11.508 955 HB VAL 122 HB VAL 122 -1.510 -2.481 9.036 956 1HG1 VAL 122 1HG1 VAL 122 0.543 -3.017 7.988 957 2HG1 VAL 122 2HG1 VAL 122 1.058 -4.015 9.349 958 3HG1 VAL 122 3HG1 VAL 122 0.955 -2.264 9.530 959 1HG2 VAL 122 1HG2 VAL 122 -2.541 -4.472 8.779 960 2HG2 VAL 122 2HG2 VAL 122 -1.473 -5.293 9.917 961 3HG2 VAL 122 3HG2 VAL 122 -0.938 -4.997 8.263 962 H ILE 123 HN ILE 123 -2.816 -1.320 10.686 963 HA ILE 123 HA ILE 123 -1.245 1.014 10.839 964 HB ILE 123 HB ILE 123 -4.223 0.672 11.191 965 1HG1 ILE 123 2HG1 ILE 123 -2.989 0.033 8.985 966 2HG1 ILE 123 1HG1 ILE 123 -4.440 1.023 8.904 967 1HG2 ILE 123 1HG2 ILE 123 -2.536 3.143 10.874 968 2HG2 ILE 123 2HG2 ILE 123 -3.663 2.754 12.175 969 3HG2 ILE 123 3HG2 ILE 123 -4.271 3.114 10.559 970 1HD1 ILE 123 1HD1 ILE 123 -1.963 2.552 9.140 971 2HD1 ILE 123 2HD1 ILE 123 -3.346 2.770 8.065 972 3HD1 ILE 123 3HD1 ILE 123 -2.097 1.589 7.667 973 H ALA 124 HN ALA 124 -2.903 -0.884 13.260 974 HA ALA 124 HA ALA 124 -3.066 0.994 15.320 975 1HB ALA 124 HB1 ALA 124 -3.052 -0.956 16.847 976 2HB ALA 124 HB2 ALA 124 -2.612 -1.986 15.483 977 3HB ALA 124 HB3 ALA 124 -4.165 -1.149 15.493 978 H LYS 125 HN LYS 125 -0.371 -0.827 14.068 979 HA LYS 125 HA LYS 125 1.372 -0.226 16.287 980 1HB LYS 125 HB2 LYS 125 1.448 -2.222 14.585 981 2HB LYS 125 HB1 LYS 125 2.381 -1.098 13.608 982 1HG LYS 125 HG2 LYS 125 3.307 -1.200 16.357 983 2HG LYS 125 HG1 LYS 125 3.358 -2.776 15.564 984 1HD LYS 125 HD2 LYS 125 5.023 -2.160 14.179 985 2HD LYS 125 HD1 LYS 125 4.346 -0.550 13.925 986 1HE LYS 125 HE2 LYS 125 6.588 -0.667 15.107 987 2HE LYS 125 HE1 LYS 125 5.330 0.288 15.891 988 1HZ LYS 125 HZ1 LYS 125 6.642 -1.249 17.365 989 2HZ LYS 125 HZ2 LYS 125 5.856 -2.538 16.602 990 3HZ LYS 125 HZ3 LYS 125 4.960 -1.396 17.469 991 H LEU 126 HN LEU 126 1.055 0.921 12.936 992 HA LEU 126 HA LEU 126 3.158 2.853 13.220 993 1HB LEU 126 HB2 LEU 126 2.515 1.710 11.073 994 2HB LEU 126 HB1 LEU 126 1.063 2.693 11.057 995 HG LEU 126 HG LEU 126 2.946 3.505 9.597 996 1HD1 LEU 126 1HD1 LEU 126 2.093 5.563 9.751 997 2HD1 LEU 126 2HD1 LEU 126 2.561 5.733 11.443 998 3HD1 LEU 126 3HD1 LEU 126 1.070 4.891 11.021 999 1HD2 LEU 126 1HD2 LEU 126 4.222 4.595 12.063 1000 2HD2 LEU 126 2HD2 LEU 126 4.907 4.344 10.458 1001 3HD2 LEU 126 3HD2 LEU 126 4.628 2.966 11.523 1002 H LYS 127 HN LYS 127 -0.293 2.818 13.606 1003 HA LYS 127 HA LYS 127 -0.806 5.579 13.425 1004 1HB LYS 127 HB2 LYS 127 -2.529 3.833 13.391 1005 2HB LYS 127 HB1 LYS 127 -2.231 3.500 15.085 1006 1HG LYS 127 HG2 LYS 127 -3.147 5.523 15.770 1007 2HG LYS 127 HG1 LYS 127 -3.013 6.238 14.163 1008 1HD LYS 127 HD2 LYS 127 -5.186 5.727 13.953 1009 2HD LYS 127 HD1 LYS 127 -4.627 4.070 13.708 1010 1HE LYS 127 HE2 LYS 127 -5.373 3.388 15.720 1011 2HE LYS 127 HE1 LYS 127 -4.894 4.886 16.517 1012 1HZ LYS 127 HZ1 LYS 127 -7.287 4.624 16.530 1013 2HZ LYS 127 HZ2 LYS 127 -7.318 4.510 14.844 1014 3HZ LYS 127 HZ3 LYS 127 -6.855 5.958 15.583 1015 H ARG 128 HN ARG 128 0.067 3.479 16.118 1016 HA ARG 128 HA ARG 128 -0.113 5.429 18.147 1017 1HB ARG 128 HB2 ARG 128 -0.048 3.050 18.670 1018 2HB ARG 128 HB1 ARG 128 1.563 2.916 17.978 1019 1HG ARG 128 HG2 ARG 128 2.440 4.377 19.726 1020 2HG ARG 128 HG1 ARG 128 0.824 4.523 20.417 1021 1HD ARG 128 HD2 ARG 128 2.014 1.816 20.003 1022 2HD ARG 128 HD1 ARG 128 2.528 2.789 21.381 1023 HE ARG 128 HE ARG 128 -0.184 2.860 21.512 1024 1HH1 ARG 128 1HH1 ARG 128 2.165 0.284 21.336 1025 2HH1 ARG 128 2HH1 ARG 128 1.189 -0.834 22.229 1026 1HH2 ARG 128 1HH2 ARG 128 -1.468 1.390 22.687 1027 2HH2 ARG 128 2HH2 ARG 128 -0.873 -0.207 22.996 1028 H LEU 129 HN LEU 129 1.968 5.168 15.519 1029 HA LEU 129 HA LEU 129 4.481 5.836 16.375 1030 1HB LEU 129 HB2 LEU 129 4.034 5.534 14.045 1031 2HB LEU 129 HB1 LEU 129 2.939 6.903 14.018 1032 HG LEU 129 HG LEU 129 5.458 7.870 14.895 1033 1HD1 LEU 129 1HD1 LEU 129 5.632 5.760 12.845 1034 2HD1 LEU 129 2HD1 LEU 129 6.853 6.361 13.967 1035 3HD1 LEU 129 3HD1 LEU 129 6.494 7.257 12.491 1036 1HD2 LEU 129 1HD2 LEU 129 5.317 9.143 12.761 1037 2HD2 LEU 129 2HD2 LEU 129 3.851 9.220 13.739 1038 3HD2 LEU 129 3HD2 LEU 129 3.913 8.168 12.325 1039 1HO1 MO2 130 1HO1 MO2 130 -5.478 -1.109 -9.556 1040 2HO1 MO2 130 2HO1 MO2 130 -4.708 -3.858 -10.695 1041 1HO2 MO2 130 1HO2 MO2 130 -5.277 -1.335 -8.075 1042 2HO2 MO2 130 2HO2 MO2 130 -3.360 -4.535 -10.806 1043 1H5* 8OG 131 1H5* ODG 131 -9.308 -9.228 -3.599 1044 2H5* 8OG 131 2H5* ODG 131 -10.428 -7.900 -3.599 1045 H4* 8OG 131 1H4* ODG 131 -7.571 -7.857 -2.658 1046 H3* 8OG 131 1H3* ODG 131 -9.920 -8.590 -1.256 1047 1H2* 8OG 131 1H2* ODG 131 -10.405 -6.775 -0.041 1048 2H2* 8OG 131 2H2* ODG 131 -8.753 -6.694 0.528 1049 H1* 8OG 131 1H1* ODG 131 -8.311 -4.979 -0.800 1050 H1 8OG 131 H1 ODG 131 -10.457 0.557 -0.352 1051 H7 8OG 131 H7 ODG 131 -13.166 -3.493 -1.416 1052 1H2 8OG 131 H21 ODG 131 -7.157 -0.582 -0.139 1053 2H2 8OG 131 H22 ODG 131 -8.228 0.776 -0.033 1054 H3T 8OG 131 *HO1 ODG 131 -7.202 -8.233 -0.388 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -10.257 -23.091 -2.956 2 2H MET 1 HT2 MET 1 -11.864 -22.498 -2.840 3 3H MET 1 HT3 MET 1 -11.215 -23.478 -1.588 4 HA MET 1 HA MET 1 -11.332 -21.091 -1.090 5 1HB MET 1 HB2 MET 1 -9.011 -21.074 -0.168 6 2HB MET 1 HB1 MET 1 -9.889 -22.562 0.156 7 1HG MET 1 HG2 MET 1 -8.542 -23.816 -1.169 8 2HG MET 1 HG1 MET 1 -8.206 -22.486 -2.275 9 1HE MET 1 HE1 MET 1 -5.529 -20.424 -0.465 10 2HE MET 1 HE2 MET 1 -7.130 -20.272 -1.189 11 3HE MET 1 HE3 MET 1 -5.825 -21.046 -2.089 12 H LYS 2 HN LYS 2 -10.849 -19.036 -1.659 13 HA LYS 2 HA LYS 2 -9.375 -18.670 -4.176 14 1HB LYS 2 HB2 LYS 2 -11.805 -17.914 -3.955 15 2HB LYS 2 HB1 LYS 2 -11.206 -16.656 -2.883 16 1HG LYS 2 HG2 LYS 2 -10.320 -15.452 -4.567 17 2HG LYS 2 HG1 LYS 2 -9.839 -16.882 -5.481 18 1HD LYS 2 HD2 LYS 2 -12.175 -17.229 -6.149 19 2HD LYS 2 HD1 LYS 2 -12.639 -15.783 -5.251 20 1HE LYS 2 HE2 LYS 2 -10.477 -15.510 -7.262 21 2HE LYS 2 HE1 LYS 2 -12.119 -15.743 -7.864 22 1HZ LYS 2 HZ1 LYS 2 -11.339 -13.373 -7.498 23 2HZ LYS 2 HZ2 LYS 2 -11.486 -13.681 -5.841 24 3HZ LYS 2 HZ3 LYS 2 -12.843 -13.788 -6.844 25 H LYS 3 HN LYS 3 -7.292 -18.309 -3.680 26 HA LYS 3 HA LYS 3 -6.584 -16.640 -1.407 27 1HB LYS 3 HB2 LYS 3 -4.288 -17.281 -1.886 28 2HB LYS 3 HB1 LYS 3 -5.316 -18.707 -1.849 29 1HG LYS 3 HG2 LYS 3 -5.432 -18.516 -4.373 30 2HG LYS 3 HG1 LYS 3 -4.122 -17.340 -4.239 31 1HD LYS 3 HD2 LYS 3 -3.743 -19.889 -2.796 32 2HD LYS 3 HD1 LYS 3 -3.722 -19.980 -4.558 33 1HE LYS 3 HE2 LYS 3 -2.146 -17.812 -3.299 34 2HE LYS 3 HE1 LYS 3 -1.542 -19.457 -3.103 35 1HZ LYS 3 HZ1 LYS 3 -1.688 -17.809 -5.489 36 2HZ LYS 3 HZ2 LYS 3 -2.085 -19.439 -5.705 37 3HZ LYS 3 HZ3 LYS 3 -0.577 -19.013 -5.069 38 H LEU 4 HN LEU 4 -5.822 -14.600 -1.511 39 HA LEU 4 HA LEU 4 -5.064 -13.461 -4.084 40 1HB LEU 4 HB2 LEU 4 -6.582 -11.623 -3.959 41 2HB LEU 4 HB1 LEU 4 -7.511 -13.104 -3.829 42 HG LEU 4 HG LEU 4 -7.130 -12.562 -1.207 43 1HD1 LEU 4 1HD1 LEU 4 -6.184 -10.521 -1.079 44 2HD1 LEU 4 2HD1 LEU 4 -7.842 -9.973 -1.322 45 3HD1 LEU 4 3HD1 LEU 4 -6.729 -10.044 -2.687 46 1HD2 LEU 4 1HD2 LEU 4 -9.395 -11.989 -1.143 47 2HD2 LEU 4 2HD2 LEU 4 -9.242 -12.982 -2.593 48 3HD2 LEU 4 3HD2 LEU 4 -9.342 -11.226 -2.732 49 H GLN 5 HN GLN 5 -3.327 -12.215 -3.863 50 HA GLN 5 HA GLN 5 -2.564 -11.352 -1.171 51 1HB GLN 5 HB2 GLN 5 -0.794 -11.362 -3.604 52 2HB GLN 5 HB1 GLN 5 -0.313 -11.292 -1.915 53 1HG GLN 5 HG2 GLN 5 -1.253 -13.581 -1.635 54 2HG GLN 5 HG1 GLN 5 -1.515 -13.624 -3.373 55 1HE2 GLN 5 1HE2 GLN 5 0.415 -13.268 -4.730 56 2HE2 GLN 5 2HE2 GLN 5 1.924 -13.914 -4.189 57 H ILE 6 HN ILE 6 -1.655 -9.277 -0.846 58 HA ILE 6 HA ILE 6 -2.091 -7.255 -2.888 59 HB ILE 6 HB ILE 6 -3.366 -7.124 -0.149 60 1HG1 ILE 6 2HG1 ILE 6 -4.582 -8.500 -1.820 61 2HG1 ILE 6 1HG1 ILE 6 -5.480 -7.062 -1.343 62 1HG2 ILE 6 1HG2 ILE 6 -2.436 -4.974 -0.810 63 2HG2 ILE 6 2HG2 ILE 6 -4.198 -4.934 -0.823 64 3HG2 ILE 6 3HG2 ILE 6 -3.306 -5.058 -2.340 65 1HD1 ILE 6 1HD1 ILE 6 -3.834 -7.276 -3.851 66 2HD1 ILE 6 2HD1 ILE 6 -4.919 -5.964 -3.393 67 3HD1 ILE 6 3HD1 ILE 6 -5.572 -7.560 -3.765 68 H ALA 7 HN ALA 7 -0.419 -5.861 -2.889 69 HA ALA 7 HA ALA 7 1.160 -5.614 -0.404 70 1HB ALA 7 HB1 ALA 7 2.815 -6.606 -1.542 71 2HB ALA 7 HB2 ALA 7 2.953 -5.081 -2.415 72 3HB ALA 7 HB3 ALA 7 1.995 -6.397 -3.088 73 H VAL 8 HN VAL 8 1.286 -3.589 0.325 74 HA VAL 8 HA VAL 8 1.024 -1.397 -1.615 75 HB VAL 8 HB VAL 8 -0.619 -0.317 -0.493 76 1HG1 VAL 8 1HG1 VAL 8 -1.201 -2.889 -0.815 77 2HG1 VAL 8 2HG1 VAL 8 -2.336 -1.746 -0.099 78 3HG1 VAL 8 3HG1 VAL 8 -1.373 -2.798 0.938 79 1HG2 VAL 8 1HG2 VAL 8 0.755 0.016 1.528 80 2HG2 VAL 8 2HG2 VAL 8 0.244 -1.569 2.113 81 3HG2 VAL 8 3HG2 VAL 8 -0.945 -0.283 1.908 82 H GLY 9 HN GLY 9 1.807 0.684 -0.802 83 1HA GLY 9 HA2 GLY 9 3.692 0.564 1.406 84 2HA GLY 9 HA1 GLY 9 4.382 0.837 -0.183 85 H ILE 10 HN ILE 10 3.524 2.401 2.517 86 HA ILE 10 HA ILE 10 2.090 4.635 1.461 87 HB ILE 10 HB ILE 10 2.884 3.749 4.028 88 1HG1 ILE 10 2HG1 ILE 10 1.527 6.360 3.838 89 2HG1 ILE 10 1HG1 ILE 10 0.790 5.057 2.909 90 1HG2 ILE 10 1HG2 ILE 10 3.656 5.875 5.068 91 2HG2 ILE 10 2HG2 ILE 10 3.957 6.503 3.450 92 3HG2 ILE 10 3HG2 ILE 10 4.852 5.099 4.031 93 1HD1 ILE 10 1HD1 ILE 10 1.013 3.728 5.136 94 2HD1 ILE 10 2HD1 ILE 10 -0.301 4.884 4.917 95 3HD1 ILE 10 3HD1 ILE 10 1.124 5.334 5.854 96 H ILE 11 HN ILE 11 2.946 5.907 -0.058 97 HA ILE 11 HA ILE 11 5.754 6.132 -0.471 98 HB ILE 11 HB ILE 11 3.927 8.161 -1.653 99 1HG1 ILE 11 2HG1 ILE 11 3.867 5.205 -2.249 100 2HG1 ILE 11 1HG1 ILE 11 2.511 6.288 -1.950 101 1HG2 ILE 11 1HG2 ILE 11 6.523 7.620 -2.010 102 2HG2 ILE 11 2HG2 ILE 11 5.496 8.281 -3.284 103 3HG2 ILE 11 3HG2 ILE 11 5.837 6.552 -3.234 104 1HD1 ILE 11 1HD1 ILE 11 4.285 6.344 -4.377 105 2HD1 ILE 11 2HD1 ILE 11 2.883 7.372 -4.085 106 3HD1 ILE 11 3HD1 ILE 11 2.672 5.634 -4.297 107 H ARG 12 HN ARG 12 7.161 7.472 0.419 108 HA ARG 12 HA ARG 12 6.174 9.555 2.201 109 1HB ARG 12 HB2 ARG 12 8.580 7.903 2.034 110 2HB ARG 12 HB1 ARG 12 8.926 9.588 2.396 111 1HG ARG 12 HG2 ARG 12 6.725 8.725 3.991 112 2HG ARG 12 HG1 ARG 12 8.048 7.572 4.147 113 1HD ARG 12 HD2 ARG 12 8.426 10.544 4.418 114 2HD ARG 12 HD1 ARG 12 8.048 9.499 5.787 115 HE ARG 12 HE ARG 12 10.571 9.744 4.435 116 1HH1 ARG 12 1HH1 ARG 12 8.567 7.661 6.391 117 2HH1 ARG 12 2HH1 ARG 12 9.903 6.755 7.017 118 1HH2 ARG 12 1HH2 ARG 12 12.331 8.553 5.258 119 2HH2 ARG 12 2HH2 ARG 12 12.040 7.262 6.375 120 H ASN 13 HN ASN 13 6.188 11.621 1.732 121 HA ASN 13 HA ASN 13 7.337 12.537 -0.769 122 1HB ASN 13 HB2 ASN 13 5.010 13.172 0.414 123 2HB ASN 13 HB1 ASN 13 6.011 14.491 0.958 124 1HD2 ASN 13 1HD2 ASN 13 4.377 15.671 -0.349 125 2HD2 ASN 13 2HD2 ASN 13 4.716 15.895 -2.027 126 H GLU 14 HN GLU 14 7.835 15.064 -0.415 127 HA GLU 14 HA GLU 14 10.430 15.083 0.803 128 1HB GLU 14 HB2 GLU 14 10.131 16.202 -1.296 129 2HB GLU 14 HB1 GLU 14 8.804 17.164 -0.655 130 1HG GLU 14 HG2 GLU 14 10.187 18.654 0.330 131 2HG GLU 14 HG1 GLU 14 11.399 17.437 0.726 132 H ASN 15 HN ASN 15 7.427 15.515 2.138 133 HA ASN 15 HA ASN 15 8.561 17.158 4.290 134 1HB ASN 15 HB2 ASN 15 7.147 18.596 2.839 135 2HB ASN 15 HB1 ASN 15 5.780 17.534 3.161 136 1HD2 ASN 15 1HD2 ASN 15 8.140 19.645 4.705 137 2HD2 ASN 15 2HD2 ASN 15 7.135 20.098 6.034 138 H ASN 16 HN ASN 16 8.543 14.499 4.517 139 HA ASN 16 HA ASN 16 7.745 12.679 5.648 140 1HB ASN 16 HB2 ASN 16 7.184 13.117 7.963 141 2HB ASN 16 HB1 ASN 16 8.483 14.197 7.469 142 1HD2 ASN 16 1HD2 ASN 16 8.178 16.354 7.544 143 2HD2 ASN 16 2HD2 ASN 16 6.725 17.111 8.093 144 H GLU 17 HN GLU 17 5.859 13.940 3.748 145 HA GLU 17 HA GLU 17 3.323 13.048 4.950 146 1HB GLU 17 HB2 GLU 17 2.284 14.370 3.020 147 2HB GLU 17 HB1 GLU 17 3.008 15.301 4.324 148 1HG GLU 17 HG2 GLU 17 5.070 15.489 2.911 149 2HG GLU 17 HG1 GLU 17 4.145 14.771 1.595 150 H ILE 18 HN ILE 18 1.972 11.669 3.669 151 HA ILE 18 HA ILE 18 3.430 10.381 1.465 152 HB ILE 18 HB ILE 18 3.520 8.793 3.157 153 1HG1 ILE 18 2HG1 ILE 18 2.295 8.111 0.905 154 2HG1 ILE 18 1HG1 ILE 18 2.490 6.962 2.220 155 1HG2 ILE 18 1HG2 ILE 18 1.992 9.972 4.681 156 2HG2 ILE 18 2HG2 ILE 18 1.754 8.226 4.676 157 3HG2 ILE 18 3HG2 ILE 18 0.624 9.272 3.816 158 1HD1 ILE 18 1HD1 ILE 18 0.022 8.540 1.553 159 2HD1 ILE 18 2HD1 ILE 18 0.195 7.500 2.963 160 3HD1 ILE 18 3HD1 ILE 18 0.270 6.808 1.343 161 H PHE 19 HN PHE 19 2.345 9.687 -0.302 162 HA PHE 19 HA PHE 19 -0.150 11.025 -0.871 163 1HB PHE 19 HB2 PHE 19 1.427 11.100 -2.633 164 2HB PHE 19 HB1 PHE 19 1.806 9.391 -2.481 165 HD1 PHE 19 HD1 PHE 19 -0.673 11.820 -3.702 166 HD2 PHE 19 HD2 PHE 19 0.534 7.741 -3.622 167 HE1 PHE 19 HE1 PHE 19 -2.252 11.319 -5.520 168 HE2 PHE 19 HE2 PHE 19 -1.045 7.232 -5.438 169 HZ PHE 19 HZ PHE 19 -2.442 9.023 -6.389 170 H ILE 20 HN ILE 20 -1.691 9.978 0.386 171 HA ILE 20 HA ILE 20 -2.053 7.105 -0.015 172 HB ILE 20 HB ILE 20 -4.033 7.917 1.736 173 1HG1 ILE 20 2HG1 ILE 20 -1.494 9.408 2.420 174 2HG1 ILE 20 1HG1 ILE 20 -3.017 10.146 1.935 175 1HG2 ILE 20 1HG2 ILE 20 -3.163 6.182 2.797 176 2HG2 ILE 20 2HG2 ILE 20 -1.744 7.132 3.236 177 3HG2 ILE 20 3HG2 ILE 20 -1.769 6.234 1.718 178 1HD1 ILE 20 1HD1 ILE 20 -2.916 8.348 4.315 179 2HD1 ILE 20 2HD1 ILE 20 -4.038 9.657 3.943 180 3HD1 ILE 20 3HD1 ILE 20 -2.386 10.026 4.438 181 H THR 21 HN THR 21 -4.302 6.325 -0.326 182 HA THR 21 HA THR 21 -5.790 8.158 -2.088 183 HB THR 21 HB THR 21 -6.441 6.330 -3.421 184 HG1 THR 21 HG1 THR 21 -7.014 4.831 -1.896 185 1HG2 THR 21 1HG2 THR 21 -3.602 5.891 -2.552 186 2HG2 THR 21 2HG2 THR 21 -4.186 6.780 -3.960 187 3HG2 THR 21 3HG2 THR 21 -4.357 5.026 -3.889 188 H ARG 22 HN ARG 22 -7.537 8.940 -1.106 189 HA ARG 22 HA ARG 22 -8.858 7.425 0.993 190 1HB ARG 22 HB2 ARG 22 -9.924 10.027 -0.019 191 2HB ARG 22 HB1 ARG 22 -9.891 9.396 1.621 192 1HG ARG 22 HG2 ARG 22 -7.223 9.695 1.017 193 2HG ARG 22 HG1 ARG 22 -7.977 11.081 0.227 194 1HD ARG 22 HD2 ARG 22 -9.230 11.020 2.669 195 2HD ARG 22 HD1 ARG 22 -7.589 10.516 3.066 196 HE ARG 22 HE ARG 22 -7.204 12.693 1.510 197 1HH1 ARG 22 1HH1 ARG 22 -9.144 12.106 4.350 198 2HH1 ARG 22 2HH1 ARG 22 -9.031 13.736 4.919 199 1HH2 ARG 22 1HH2 ARG 22 -7.053 14.839 2.255 200 2HH2 ARG 22 2HH2 ARG 22 -7.844 15.290 3.729 201 H ARG 23 HN ARG 23 -9.665 5.703 -0.298 202 HA ARG 23 HA ARG 23 -11.126 4.618 -1.681 203 1HB ARG 23 HB2 ARG 23 -12.542 5.395 0.226 204 2HB ARG 23 HB1 ARG 23 -13.041 6.759 -0.758 205 1HG ARG 23 HG2 ARG 23 -14.683 4.935 -0.756 206 2HG ARG 23 HG1 ARG 23 -14.053 5.269 -2.367 207 1HD ARG 23 HD2 ARG 23 -12.582 3.368 -2.241 208 2HD ARG 23 HD1 ARG 23 -13.040 3.078 -0.563 209 HE ARG 23 HE ARG 23 -15.389 2.955 -1.954 210 1HH1 ARG 23 1HH1 ARG 23 -12.320 1.306 -2.149 211 2HH1 ARG 23 2HH1 ARG 23 -13.004 -0.160 -2.765 212 1HH2 ARG 23 1HH2 ARG 23 -16.292 1.028 -2.764 213 2HH2 ARG 23 2HH2 ARG 23 -15.260 -0.318 -3.114 214 H ALA 24 HN ALA 24 -9.560 6.336 -3.171 215 HA ALA 24 HA ALA 24 -9.453 7.190 -5.285 216 1HB ALA 24 HB1 ALA 24 -11.984 6.965 -6.379 217 2HB ALA 24 HB2 ALA 24 -11.899 5.635 -5.222 218 3HB ALA 24 HB3 ALA 24 -10.683 5.778 -6.493 219 H ALA 25 HN ALA 25 -10.828 8.658 -2.850 220 HA ALA 25 HA ALA 25 -11.670 10.724 -2.408 221 1HB ALA 25 HB1 ALA 25 -10.307 11.218 -5.041 222 2HB ALA 25 HB2 ALA 25 -9.716 11.573 -3.418 223 3HB ALA 25 HB3 ALA 25 -11.050 12.508 -4.094 224 H ASP 26 HN ASP 26 -13.293 8.744 -4.066 225 HA ASP 26 HA ASP 26 -15.681 10.054 -4.209 226 1HB ASP 26 HB2 ASP 26 -14.000 10.906 -6.348 227 2HB ASP 26 HB1 ASP 26 -15.335 9.984 -7.023 228 H ALA 27 HN ALA 27 -16.410 8.042 -3.570 229 HA ALA 27 HA ALA 27 -17.070 6.227 -5.688 230 1HB ALA 27 HB1 ALA 27 -15.854 4.468 -3.854 231 2HB ALA 27 HB2 ALA 27 -14.680 5.737 -4.197 232 3HB ALA 27 HB3 ALA 27 -15.378 4.803 -5.519 233 H HIS 28 HN HIS 28 -16.546 5.457 -2.269 234 HA HIS 28 HA HIS 28 -19.146 5.994 -1.364 235 1HB HIS 28 HB2 HIS 28 -18.765 3.416 -2.742 236 2HB HIS 28 HB1 HIS 28 -19.537 3.302 -1.164 237 HD1 HIS 28 HD1 HIS 28 -20.335 3.762 -4.610 238 HD2 HIS 28 HD2 HIS 28 -21.852 5.230 -1.030 239 HE1 HIS 28 HE1 HIS 28 -22.647 4.592 -5.149 240 HE2 HIS 28 HE2 HIS 28 -23.512 5.552 -2.986 241 H MET 29 HN MET 29 -17.174 3.066 -0.913 242 HA MET 29 HA MET 29 -17.251 3.191 1.895 243 1HB MET 29 HB2 MET 29 -15.316 1.762 0.065 244 2HB MET 29 HB1 MET 29 -15.430 1.495 1.799 245 1HG MET 29 HG2 MET 29 -17.952 1.232 0.317 246 2HG MET 29 HG1 MET 29 -16.719 0.030 -0.057 247 1HE MET 29 HE1 MET 29 -18.415 0.769 4.169 248 2HE MET 29 HE2 MET 29 -18.781 1.751 2.751 249 3HE MET 29 HE3 MET 29 -17.172 1.807 3.472 250 H ALA 30 HN ALA 30 -16.675 5.384 2.356 251 HA ALA 30 HA ALA 30 -14.125 6.453 1.700 252 1HB ALA 30 HB1 ALA 30 -15.521 8.173 2.159 253 2HB ALA 30 HB2 ALA 30 -14.849 7.974 3.777 254 3HB ALA 30 HB3 ALA 30 -16.415 7.268 3.380 255 H ASN 31 HN ASN 31 -15.007 4.064 3.890 256 HA ASN 31 HA ASN 31 -12.964 4.706 5.853 257 1HB ASN 31 HB2 ASN 31 -15.340 3.046 5.758 258 2HB ASN 31 HB1 ASN 31 -13.966 2.156 6.403 259 1HD2 ASN 31 1HD2 ASN 31 -14.118 2.146 8.523 260 2HD2 ASN 31 2HD2 ASN 31 -14.478 3.506 9.524 261 H LYS 32 HN LYS 32 -12.412 3.867 2.956 262 HA LYS 32 HA LYS 32 -10.680 1.580 3.581 263 1HB LYS 32 HB2 LYS 32 -12.418 2.138 1.304 264 2HB LYS 32 HB1 LYS 32 -10.785 1.696 0.825 265 1HG LYS 32 HG2 LYS 32 -11.485 -0.409 0.995 266 2HG LYS 32 HG1 LYS 32 -11.359 -0.173 2.740 267 1HD LYS 32 HD2 LYS 32 -13.676 0.348 2.918 268 2HD LYS 32 HD1 LYS 32 -13.850 0.448 1.164 269 1HE LYS 32 HE2 LYS 32 -14.759 -1.637 1.760 270 2HE LYS 32 HE1 LYS 32 -13.160 -1.995 1.108 271 1HZ LYS 32 HZ1 LYS 32 -14.169 -2.296 3.815 272 2HZ LYS 32 HZ2 LYS 32 -12.586 -1.713 3.686 273 3HZ LYS 32 HZ3 LYS 32 -12.999 -3.196 2.986 274 H LEU 33 HN LEU 33 -10.150 4.432 3.950 275 HA LEU 33 HA LEU 33 -8.485 5.560 2.049 276 1HB LEU 33 HB2 LEU 33 -9.198 6.771 4.021 277 2HB LEU 33 HB1 LEU 33 -8.289 5.687 5.053 278 HG LEU 33 HG LEU 33 -6.210 6.552 4.283 279 1HD1 LEU 33 1HD1 LEU 33 -6.910 6.790 1.901 280 2HD1 LEU 33 2HD1 LEU 33 -5.961 8.141 2.520 281 3HD1 LEU 33 3HD1 LEU 33 -7.710 8.297 2.347 282 1HD2 LEU 33 1HD2 LEU 33 -6.442 8.967 4.833 283 2HD2 LEU 33 2HD2 LEU 33 -7.214 7.888 5.996 284 3HD2 LEU 33 3HD2 LEU 33 -8.193 8.753 4.812 285 H GLU 34 HN GLU 34 -7.179 4.064 1.019 286 HA GLU 34 HA GLU 34 -4.912 3.088 2.619 287 1HB GLU 34 HB2 GLU 34 -6.789 1.416 1.606 288 2HB GLU 34 HB1 GLU 34 -5.662 1.478 0.258 289 1HG GLU 34 HG2 GLU 34 -3.954 1.084 2.307 290 2HG GLU 34 HG1 GLU 34 -5.383 0.247 2.910 291 H PHE 35 HN PHE 35 -3.223 2.161 0.817 292 HA PHE 35 HA PHE 35 -2.830 4.392 -1.064 293 1HB PHE 35 HB2 PHE 35 -0.303 3.306 -0.572 294 2HB PHE 35 HB1 PHE 35 -0.932 4.832 0.034 295 HD1 PHE 35 HD1 PHE 35 0.725 2.011 0.993 296 HD2 PHE 35 HD2 PHE 35 -2.609 4.377 2.172 297 HE1 PHE 35 HE1 PHE 35 0.951 1.177 3.296 298 HE2 PHE 35 HE2 PHE 35 -2.388 3.548 4.477 299 HZ PHE 35 HZ PHE 35 -0.606 1.946 5.042 300 HA PRO 36 HA PRO 36 -2.211 1.917 -4.654 301 1HB PRO 36 HB2 PRO 36 0.555 2.209 -5.104 302 2HB PRO 36 HB1 PRO 36 -0.731 3.208 -5.777 303 1HG PRO 36 HG2 PRO 36 1.011 3.699 -3.415 304 2HG PRO 36 HG1 PRO 36 0.342 4.855 -4.583 305 1HD PRO 36 HD2 PRO 36 -0.674 4.645 -2.127 306 2HD PRO 36 HD1 PRO 36 -1.733 4.903 -3.528 307 H GLY 37 HN GLY 37 -1.034 -0.013 -5.528 308 1HA GLY 37 HA2 GLY 37 0.416 -1.886 -5.143 309 2HA GLY 37 HA1 GLY 37 0.315 -1.545 -3.436 310 H GLY 38 HN GLY 38 -1.908 -2.145 -6.041 311 1HA GLY 38 HA2 GLY 38 -3.226 -4.234 -4.439 312 2HA GLY 38 HA1 GLY 38 -4.152 -3.026 -5.329 313 H LYS 39 HN LYS 39 -2.853 -6.127 -5.451 314 HA LYS 39 HA LYS 39 -3.623 -7.582 -7.193 315 1HB LYS 39 HB2 LYS 39 -4.384 -5.729 -8.648 316 2HB LYS 39 HB1 LYS 39 -2.710 -5.425 -9.098 317 1HG LYS 39 HG2 LYS 39 -2.778 -6.990 -10.652 318 2HG LYS 39 HG1 LYS 39 -3.343 -8.192 -9.494 319 1HD LYS 39 HD2 LYS 39 -4.870 -7.808 -11.450 320 2HD LYS 39 HD1 LYS 39 -5.620 -7.607 -9.866 321 1HE LYS 39 HE2 LYS 39 -4.470 -5.142 -10.920 322 2HE LYS 39 HE1 LYS 39 -5.734 -5.814 -11.949 323 1HZ LYS 39 HZ1 LYS 39 -6.209 -4.242 -9.852 324 2HZ LYS 39 HZ2 LYS 39 -6.331 -5.757 -9.110 325 3HZ LYS 39 HZ3 LYS 39 -7.316 -5.382 -10.432 326 H ILE 40 HN ILE 40 -0.843 -6.438 -6.024 327 HA ILE 40 HA ILE 40 1.192 -7.191 -7.720 328 HB ILE 40 HB ILE 40 2.653 -7.241 -5.964 329 1HG1 ILE 40 2HG1 ILE 40 0.772 -7.836 -3.754 330 2HG1 ILE 40 1HG1 ILE 40 1.067 -9.164 -4.868 331 1HG2 ILE 40 1HG2 ILE 40 0.951 -5.236 -6.018 332 2HG2 ILE 40 2HG2 ILE 40 2.199 -5.354 -4.779 333 3HG2 ILE 40 3HG2 ILE 40 0.545 -5.846 -4.417 334 1HD1 ILE 40 1HD1 ILE 40 2.969 -9.608 -3.865 335 2HD1 ILE 40 2HD1 ILE 40 2.664 -8.304 -2.722 336 3HD1 ILE 40 3HD1 ILE 40 3.559 -7.983 -4.207 337 H GLU 41 HN GLU 41 -1.012 -9.095 -5.954 338 HA GLU 41 HA GLU 41 0.048 -11.556 -5.700 339 1HB GLU 41 HB2 GLU 41 -2.343 -12.361 -6.413 340 2HB GLU 41 HB1 GLU 41 -2.117 -11.424 -4.951 341 1HG GLU 41 HG2 GLU 41 -3.516 -9.882 -5.678 342 2HG GLU 41 HG1 GLU 41 -2.546 -9.618 -7.117 343 H MET 42 HN MET 42 -2.068 -11.083 -8.497 344 HA MET 42 HA MET 42 -2.063 -12.151 -10.527 345 1HB MET 42 HB2 MET 42 0.661 -10.864 -10.383 346 2HB MET 42 HB1 MET 42 0.023 -11.585 -11.856 347 1HG MET 42 HG2 MET 42 -1.578 -9.530 -10.408 348 2HG MET 42 HG1 MET 42 -0.223 -9.034 -11.420 349 1HE MET 42 HE1 MET 42 -4.341 -10.394 -12.615 350 2HE MET 42 HE2 MET 42 -3.630 -10.277 -11.006 351 3HE MET 42 HE3 MET 42 -3.384 -11.731 -11.973 352 H GLY 43 HN GLY 43 1.399 -12.662 -10.033 353 1HA GLY 43 HA2 GLY 43 1.252 -15.359 -9.214 354 2HA GLY 43 HA1 GLY 43 1.376 -15.285 -10.956 355 H GLU 44 HN GLU 44 2.854 -12.982 -8.817 356 HA GLU 44 HA GLU 44 5.467 -13.756 -9.881 357 1HB GLU 44 HB2 GLU 44 4.257 -11.277 -8.958 358 2HB GLU 44 HB1 GLU 44 5.849 -11.533 -8.261 359 1HG GLU 44 HG2 GLU 44 6.678 -10.674 -10.125 360 2HG GLU 44 HG1 GLU 44 6.188 -12.164 -10.929 361 H THR 45 HN THR 45 7.189 -12.904 -7.926 362 HA THR 45 HA THR 45 6.777 -14.960 -5.882 363 HB THR 45 HB THR 45 9.357 -13.662 -5.764 364 HG1 THR 45 HG1 THR 45 8.703 -14.800 -8.275 365 1HG2 THR 45 1HG2 THR 45 8.286 -16.376 -5.981 366 2HG2 THR 45 2HG2 THR 45 9.634 -15.750 -5.031 367 3HG2 THR 45 3HG2 THR 45 9.860 -16.133 -6.739 368 HA PRO 46 HA PRO 46 5.977 -12.372 -2.411 369 1HB PRO 46 HB2 PRO 46 8.312 -12.954 -0.899 370 2HB PRO 46 HB1 PRO 46 6.724 -13.704 -0.747 371 1HG PRO 46 HG2 PRO 46 9.126 -14.651 -2.212 372 2HG PRO 46 HG1 PRO 46 7.854 -15.587 -1.405 373 1HD PRO 46 HD2 PRO 46 7.951 -15.426 -4.061 374 2HD PRO 46 HD1 PRO 46 6.394 -15.388 -3.210 375 H GLU 47 HN GLU 47 9.100 -12.230 -3.985 376 HA GLU 47 HA GLU 47 9.592 -9.561 -2.892 377 1HB GLU 47 HB2 GLU 47 11.290 -11.661 -4.140 378 2HB GLU 47 HB1 GLU 47 11.782 -9.986 -4.344 379 1HG GLU 47 HG2 GLU 47 12.926 -10.680 -2.450 380 2HG GLU 47 HG1 GLU 47 11.541 -9.800 -1.806 381 H GLN 48 HN GLN 48 9.429 -11.212 -6.067 382 HA GLN 48 HA GLN 48 9.568 -8.700 -7.476 383 1HB GLN 48 HB2 GLN 48 9.189 -11.561 -8.321 384 2HB GLN 48 HB1 GLN 48 9.005 -10.241 -9.468 385 1HG GLN 48 HG2 GLN 48 11.336 -9.507 -8.706 386 2HG GLN 48 HG1 GLN 48 11.460 -11.115 -7.993 387 1HE2 GLN 48 1HE2 GLN 48 10.402 -12.774 -9.734 388 2HE2 GLN 48 2HE2 GLN 48 11.197 -12.703 -11.266 389 H ALA 49 HN ALA 49 7.091 -10.278 -5.882 390 HA ALA 49 HA ALA 49 4.922 -9.913 -7.635 391 1HB ALA 49 HB1 ALA 49 4.903 -9.913 -4.621 392 2HB ALA 49 HB2 ALA 49 4.820 -11.345 -5.647 393 3HB ALA 49 HB3 ALA 49 3.511 -10.164 -5.676 394 H VAL 50 HN VAL 50 5.950 -7.916 -4.866 395 HA VAL 50 HA VAL 50 4.193 -5.788 -5.663 396 HB VAL 50 HB VAL 50 4.456 -5.867 -3.349 397 1HG1 VAL 50 1HG1 VAL 50 6.206 -7.109 -2.678 398 2HG1 VAL 50 2HG1 VAL 50 7.004 -5.543 -2.522 399 3HG1 VAL 50 3HG1 VAL 50 7.256 -6.523 -3.967 400 1HG2 VAL 50 1HG2 VAL 50 5.055 -3.596 -4.678 401 2HG2 VAL 50 2HG2 VAL 50 6.495 -3.765 -3.674 402 3HG2 VAL 50 3HG2 VAL 50 4.901 -3.694 -2.921 403 H VAL 51 HN VAL 51 7.695 -6.361 -5.821 404 HA VAL 51 HA VAL 51 8.553 -3.854 -6.565 405 HB VAL 51 HB VAL 51 9.571 -6.472 -7.687 406 1HG1 VAL 51 1HG1 VAL 51 10.260 -3.852 -8.382 407 2HG1 VAL 51 2HG1 VAL 51 11.144 -5.329 -8.768 408 3HG1 VAL 51 3HG1 VAL 51 11.551 -4.411 -7.319 409 1HG2 VAL 51 1HG2 VAL 51 9.456 -5.899 -5.079 410 2HG2 VAL 51 2HG2 VAL 51 10.963 -5.076 -5.480 411 3HG2 VAL 51 3HG2 VAL 51 10.789 -6.801 -5.801 412 H ARG 52 HN ARG 52 6.990 -6.307 -8.550 413 HA ARG 52 HA ARG 52 7.331 -4.797 -10.965 414 1HB ARG 52 HB2 ARG 52 7.207 -7.252 -11.015 415 2HB ARG 52 HB1 ARG 52 5.560 -7.179 -10.404 416 1HG ARG 52 HG2 ARG 52 4.735 -6.879 -12.439 417 2HG ARG 52 HG1 ARG 52 5.855 -5.556 -12.768 418 1HD ARG 52 HD2 ARG 52 6.591 -7.011 -14.346 419 2HD ARG 52 HD1 ARG 52 7.557 -7.593 -12.992 420 HE ARG 52 HE ARG 52 5.034 -8.913 -13.154 421 1HH1 ARG 52 1HH1 ARG 52 8.252 -8.848 -14.501 422 2HH1 ARG 52 2HH1 ARG 52 8.220 -10.512 -14.978 423 1HH2 ARG 52 1HH2 ARG 52 4.991 -11.102 -13.780 424 2HH2 ARG 52 2HH2 ARG 52 6.369 -11.792 -14.569 425 H GLU 53 HN GLU 53 4.529 -5.621 -8.935 426 HA GLU 53 HA GLU 53 2.703 -4.001 -10.365 427 1HB GLU 53 HB2 GLU 53 2.237 -5.913 -8.700 428 2HB GLU 53 HB1 GLU 53 2.415 -4.689 -7.452 429 1HG GLU 53 HG2 GLU 53 0.530 -4.264 -9.730 430 2HG GLU 53 HG1 GLU 53 0.065 -5.260 -8.353 431 H LEU 54 HN LEU 54 5.134 -3.284 -8.070 432 HA LEU 54 HA LEU 54 4.121 -0.976 -6.855 433 1HB LEU 54 HB2 LEU 54 6.128 -2.165 -6.096 434 2HB LEU 54 HB1 LEU 54 6.976 -1.658 -7.546 435 HG LEU 54 HG LEU 54 6.411 0.734 -6.732 436 1HD1 LEU 54 1HD1 LEU 54 5.637 1.059 -4.664 437 2HD1 LEU 54 2HD1 LEU 54 6.633 -0.230 -3.987 438 3HD1 LEU 54 3HD1 LEU 54 5.098 -0.618 -4.764 439 1HD2 LEU 54 1HD2 LEU 54 8.426 0.357 -4.993 440 2HD2 LEU 54 2HD2 LEU 54 8.645 0.428 -6.742 441 3HD2 LEU 54 3HD2 LEU 54 8.540 -1.134 -5.929 442 H GLN 55 HN GLN 55 5.976 -1.403 -9.844 443 HA GLN 55 HA GLN 55 6.065 1.388 -10.445 444 1HB GLN 55 HB2 GLN 55 7.731 -0.137 -11.369 445 2HB GLN 55 HB1 GLN 55 6.478 -1.044 -12.203 446 1HG GLN 55 HG2 GLN 55 6.664 1.848 -12.797 447 2HG GLN 55 HG1 GLN 55 7.963 0.816 -13.393 448 1HE2 GLN 55 1HE2 GLN 55 7.278 1.312 -15.522 449 2HE2 GLN 55 2HE2 GLN 55 5.908 0.522 -16.217 450 H GLU 56 HN GLU 56 3.822 -1.198 -10.988 451 HA GLU 56 HA GLU 56 2.313 0.000 -13.075 452 1HB GLU 56 HB2 GLU 56 2.308 -2.443 -12.287 453 2HB GLU 56 HB1 GLU 56 1.218 -1.910 -11.024 454 1HG GLU 56 HG2 GLU 56 0.116 -0.874 -13.339 455 2HG GLU 56 HG1 GLU 56 0.693 -2.471 -13.811 456 H GLU 57 HN GLU 57 2.380 0.314 -9.613 457 HA GLU 57 HA GLU 57 -0.020 1.975 -9.737 458 1HB GLU 57 HB2 GLU 57 0.607 -0.070 -7.988 459 2HB GLU 57 HB1 GLU 57 0.902 1.391 -7.049 460 1HG GLU 57 HG2 GLU 57 -1.283 1.357 -6.625 461 2HG GLU 57 HG1 GLU 57 -1.470 1.957 -8.269 462 H VAL 58 HN VAL 58 3.103 2.503 -10.050 463 HA VAL 58 HA VAL 58 2.976 5.049 -8.588 464 HB VAL 58 HB VAL 58 4.675 2.994 -7.867 465 1HG1 VAL 58 1HG1 VAL 58 6.295 4.944 -9.495 466 2HG1 VAL 58 2HG1 VAL 58 6.028 3.244 -9.869 467 3HG1 VAL 58 3HG1 VAL 58 6.941 3.695 -8.431 468 1HG2 VAL 58 1HG2 VAL 58 5.904 5.434 -7.107 469 2HG2 VAL 58 2HG2 VAL 58 4.850 4.388 -6.158 470 3HG2 VAL 58 3HG2 VAL 58 4.158 5.683 -7.133 471 H GLY 59 HN GLY 59 4.511 3.185 -11.161 472 1HA GLY 59 HA2 GLY 59 5.131 3.744 -13.268 473 2HA GLY 59 HA1 GLY 59 4.065 5.113 -13.132 474 H ILE 60 HN ILE 60 5.554 6.348 -10.981 475 HA ILE 60 HA ILE 60 7.576 7.602 -12.593 476 HB ILE 60 HB ILE 60 7.868 8.749 -10.128 477 1HG1 ILE 60 2HG1 ILE 60 5.583 9.269 -9.337 478 2HG1 ILE 60 1HG1 ILE 60 4.951 8.062 -10.447 479 1HG2 ILE 60 1HG2 ILE 60 5.755 9.829 -11.903 480 2HG2 ILE 60 2HG2 ILE 60 7.381 9.626 -12.556 481 3HG2 ILE 60 3HG2 ILE 60 7.120 10.646 -11.140 482 1HD1 ILE 60 1HD1 ILE 60 5.931 7.730 -7.806 483 2HD1 ILE 60 2HD1 ILE 60 6.975 6.831 -8.908 484 3HD1 ILE 60 3HD1 ILE 60 5.239 6.525 -8.890 485 H THR 61 HN THR 61 9.559 8.336 -10.968 486 HA THR 61 HA THR 61 10.788 5.790 -10.187 487 HB THR 61 HB THR 61 12.859 7.430 -10.540 488 HG1 THR 61 HG1 THR 61 10.960 8.380 -12.403 489 1HG2 THR 61 1HG2 THR 61 13.132 6.603 -12.791 490 2HG2 THR 61 2HG2 THR 61 11.419 6.177 -12.862 491 3HG2 THR 61 3HG2 THR 61 12.499 5.318 -11.761 492 HA PRO 62 HA PRO 62 10.997 8.195 -6.312 493 1HB PRO 62 HB2 PRO 62 9.246 6.897 -4.876 494 2HB PRO 62 HB1 PRO 62 8.671 7.753 -6.314 495 1HG PRO 62 HG2 PRO 62 9.107 4.830 -5.909 496 2HG PRO 62 HG1 PRO 62 7.864 5.658 -6.862 497 1HD PRO 62 HD2 PRO 62 10.388 4.625 -7.775 498 2HD PRO 62 HD1 PRO 62 9.155 5.490 -8.708 499 H GLN 63 HN GLN 63 12.347 7.828 -4.542 500 HA GLN 63 HA GLN 63 13.688 5.273 -4.375 501 1HB GLN 63 HB2 GLN 63 13.816 7.428 -2.268 502 2HB GLN 63 HB1 GLN 63 15.037 6.235 -2.682 503 1HG GLN 63 HG2 GLN 63 15.544 7.364 -4.724 504 2HG GLN 63 HG1 GLN 63 14.195 8.474 -4.500 505 1HE2 GLN 63 1HE2 GLN 63 16.410 9.717 -4.947 506 2HE2 GLN 63 2HE2 GLN 63 17.132 10.359 -3.514 507 H HIS 64 HN HIS 64 11.800 4.073 -4.169 508 HA HIS 64 HA HIS 64 10.524 4.151 -1.521 509 1HB HIS 64 HB2 HIS 64 8.932 4.871 -3.125 510 2HB HIS 64 HB1 HIS 64 9.479 3.702 -4.279 511 HD1 HIS 64 HD1 HIS 64 6.494 4.187 -3.248 512 HD2 HIS 64 HD2 HIS 64 8.988 1.023 -2.227 513 HE1 HIS 64 HE1 HIS 64 4.966 2.308 -2.578 514 HE2 HIS 64 HE2 HIS 64 6.500 0.436 -1.887 515 H PHE 65 HN PHE 65 10.512 2.329 -0.361 516 HA PHE 65 HA PHE 65 10.452 -0.277 -1.350 517 1HB PHE 65 HB2 PHE 65 12.842 0.700 -1.958 518 2HB PHE 65 HB1 PHE 65 13.182 0.281 -0.290 519 HD1 PHE 65 HD1 PHE 65 11.172 -2.176 -0.463 520 HD2 PHE 65 HD2 PHE 65 14.519 -0.871 -2.747 521 HE1 PHE 65 HE1 PHE 65 11.600 -4.497 -1.157 522 HE2 PHE 65 HE2 PHE 65 14.952 -3.191 -3.445 523 HZ PHE 65 HZ PHE 65 13.490 -5.007 -2.650 524 H SER 66 HN SER 66 12.516 -1.007 0.847 525 HA SER 66 HA SER 66 12.475 -1.703 2.988 526 1HB SER 66 HB2 SER 66 11.780 1.121 2.997 527 2HB SER 66 HB1 SER 66 11.135 0.274 4.401 528 HG SER 66 HG SER 66 13.832 0.371 3.535 529 H LEU 67 HN LEU 67 11.158 -2.427 4.782 530 HA LEU 67 HA LEU 67 8.341 -2.831 4.028 531 1HB LEU 67 HB2 LEU 67 9.527 -4.902 3.711 532 2HB LEU 67 HB1 LEU 67 10.269 -4.773 5.294 533 HG LEU 67 HG LEU 67 7.319 -4.820 5.289 534 1HD1 LEU 67 1HD1 LEU 67 8.932 -6.943 4.033 535 2HD1 LEU 67 2HD1 LEU 67 7.233 -6.523 3.814 536 3HD1 LEU 67 3HD1 LEU 67 7.733 -7.473 5.213 537 1HD2 LEU 67 1HD2 LEU 67 8.827 -6.742 6.887 538 2HD2 LEU 67 2HD2 LEU 67 7.627 -5.549 7.381 539 3HD2 LEU 67 3HD2 LEU 67 9.309 -5.067 7.154 540 H PHE 68 HN PHE 68 7.134 -1.663 5.375 541 HA PHE 68 HA PHE 68 8.042 -0.954 8.000 542 1HB PHE 68 HB2 PHE 68 6.676 0.760 7.561 543 2HB PHE 68 HB1 PHE 68 6.010 -0.077 6.167 544 HD1 PHE 68 HD1 PHE 68 3.894 -1.146 6.267 545 HD2 PHE 68 HD2 PHE 68 5.595 0.575 9.762 546 HE1 PHE 68 HE1 PHE 68 1.722 -1.336 7.408 547 HE2 PHE 68 HE2 PHE 68 3.429 0.386 10.915 548 HZ PHE 68 HZ PHE 68 1.486 -0.567 9.735 549 H GLU 69 HN GLU 69 5.345 -2.916 6.749 550 HA GLU 69 HA GLU 69 5.627 -4.896 8.747 551 1HB GLU 69 HB2 GLU 69 3.735 -2.672 9.267 552 2HB GLU 69 HB1 GLU 69 3.144 -4.295 9.592 553 1HG GLU 69 HG2 GLU 69 5.496 -4.459 10.833 554 2HG GLU 69 HG1 GLU 69 5.230 -2.722 10.969 555 H LYS 70 HN LYS 70 4.728 -6.738 8.016 556 HA LYS 70 HA LYS 70 2.664 -6.506 5.919 557 1HB LYS 70 HB2 LYS 70 3.617 -8.523 4.879 558 2HB LYS 70 HB1 LYS 70 4.784 -7.210 4.939 559 1HG LYS 70 HG2 LYS 70 6.220 -8.460 6.066 560 2HG LYS 70 HG1 LYS 70 5.010 -8.829 7.297 561 1HD LYS 70 HD2 LYS 70 4.677 -10.252 4.743 562 2HD LYS 70 HD1 LYS 70 6.132 -10.669 5.651 563 1HE LYS 70 HE2 LYS 70 4.740 -12.124 6.671 564 2HE LYS 70 HE1 LYS 70 4.320 -10.710 7.636 565 1HZ LYS 70 HZ1 LYS 70 2.831 -11.059 5.165 566 2HZ LYS 70 HZ2 LYS 70 2.299 -10.552 6.687 567 3HZ LYS 70 HZ3 LYS 70 2.525 -12.199 6.377 568 H LEU 71 HN LEU 71 0.837 -7.667 6.229 569 HA LEU 71 HA LEU 71 0.819 -9.571 8.478 570 1HB LEU 71 HB2 LEU 71 -1.344 -8.918 9.044 571 2HB LEU 71 HB1 LEU 71 -0.539 -7.412 8.652 572 HG LEU 71 HG LEU 71 -1.588 -7.811 6.275 573 1HD1 LEU 71 1HD1 LEU 71 -2.682 -9.793 6.279 574 2HD1 LEU 71 2HD1 LEU 71 -3.987 -8.793 6.919 575 3HD1 LEU 71 3HD1 LEU 71 -2.989 -9.748 8.015 576 1HD2 LEU 71 1HD2 LEU 71 -3.760 -6.747 7.248 577 2HD2 LEU 71 2HD2 LEU 71 -2.231 -5.874 7.342 578 3HD2 LEU 71 3HD2 LEU 71 -2.845 -6.728 8.756 579 H GLU 72 HN GLU 72 -0.681 -11.368 8.325 580 HA GLU 72 HA GLU 72 -1.491 -12.101 5.616 581 1HB GLU 72 HB2 GLU 72 0.524 -13.254 5.623 582 2HB GLU 72 HB1 GLU 72 0.467 -13.551 7.355 583 1HG GLU 72 HG2 GLU 72 -1.236 -15.230 7.046 584 2HG GLU 72 HG1 GLU 72 -1.294 -14.890 5.317 585 H TYR 73 HN TYR 73 -3.621 -12.351 5.828 586 HA TYR 73 HA TYR 73 -4.612 -14.081 7.982 587 1HB TYR 73 HB2 TYR 73 -5.012 -11.759 8.675 588 2HB TYR 73 HB1 TYR 73 -5.859 -11.448 7.163 589 HD1 TYR 73 HD1 TYR 73 -6.068 -12.975 10.469 590 HD2 TYR 73 HD2 TYR 73 -8.082 -12.404 6.765 591 HE1 TYR 73 HE1 TYR 73 -8.176 -13.691 11.512 592 HE2 TYR 73 HE2 TYR 73 -10.196 -13.117 7.799 593 HH TYR 73 HH TYR 73 -10.675 -14.762 10.063 594 H GLU 74 HN GLU 74 -6.601 -15.159 7.512 595 HA GLU 74 HA GLU 74 -7.265 -15.187 4.644 596 1HB GLU 74 HB2 GLU 74 -7.922 -17.632 5.093 597 2HB GLU 74 HB1 GLU 74 -6.212 -17.246 4.958 598 1HG GLU 74 HG2 GLU 74 -6.334 -17.027 7.543 599 2HG GLU 74 HG1 GLU 74 -7.805 -17.979 7.371 600 H PHE 75 HN PHE 75 -9.278 -14.799 4.132 601 HA PHE 75 HA PHE 75 -11.278 -14.528 6.220 602 1HB PHE 75 HB2 PHE 75 -10.811 -13.398 3.548 603 2HB PHE 75 HB1 PHE 75 -12.490 -13.786 3.875 604 HD1 PHE 75 HD1 PHE 75 -12.522 -13.181 6.832 605 HD2 PHE 75 HD2 PHE 75 -10.872 -11.070 3.524 606 HE1 PHE 75 HE1 PHE 75 -12.750 -11.069 8.070 607 HE2 PHE 75 HE2 PHE 75 -11.096 -8.955 4.759 608 HZ PHE 75 HZ PHE 75 -12.036 -8.952 7.035 609 HA PRO 76 HA PRO 76 -13.929 -18.005 5.632 610 1HB PRO 76 HB2 PRO 76 -15.800 -16.328 4.047 611 2HB PRO 76 HB1 PRO 76 -16.118 -17.356 5.444 612 1HG PRO 76 HG2 PRO 76 -15.896 -14.614 5.524 613 2HG PRO 76 HG1 PRO 76 -15.677 -15.689 6.913 614 1HD PRO 76 HD2 PRO 76 -13.712 -14.087 5.536 615 2HD PRO 76 HD1 PRO 76 -13.514 -15.050 7.007 616 H ASP 77 HN ASP 77 -12.262 -18.798 4.143 617 HA ASP 77 HA ASP 77 -11.749 -19.992 2.263 618 1HB ASP 77 HB2 ASP 77 -14.404 -19.089 1.129 619 2HB ASP 77 HB1 ASP 77 -13.418 -20.439 0.578 620 H ARG 78 HN ARG 78 -11.378 -17.026 2.647 621 HA ARG 78 HA ARG 78 -10.506 -16.453 -0.087 622 1HB ARG 78 HB2 ARG 78 -12.714 -15.263 0.708 623 2HB ARG 78 HB1 ARG 78 -11.603 -14.234 1.602 624 1HG ARG 78 HG2 ARG 78 -10.696 -13.321 -0.304 625 2HG ARG 78 HG1 ARG 78 -11.140 -14.704 -1.307 626 1HD ARG 78 HD2 ARG 78 -13.583 -13.834 -0.528 627 2HD ARG 78 HD1 ARG 78 -12.694 -12.313 -0.574 628 HE ARG 78 HE ARG 78 -12.340 -13.938 -2.920 629 1HH1 ARG 78 1HH1 ARG 78 -14.335 -11.520 -1.386 630 2HH1 ARG 78 2HH1 ARG 78 -14.968 -10.914 -2.880 631 1HH2 ARG 78 1HH2 ARG 78 -13.172 -13.142 -4.886 632 2HH2 ARG 78 2HH2 ARG 78 -14.309 -11.836 -4.867 633 H HIS 79 HN HIS 79 -8.367 -16.852 0.442 634 HA HIS 79 HA HIS 79 -7.141 -15.756 2.781 635 1HB HIS 79 HB2 HIS 79 -6.442 -17.861 1.490 636 2HB HIS 79 HB1 HIS 79 -5.668 -16.762 0.353 637 HD1 HIS 79 HD1 HIS 79 -4.164 -14.841 1.977 638 HD2 HIS 79 HD2 HIS 79 -4.541 -18.812 3.141 639 HE1 HIS 79 HE1 HIS 79 -2.244 -15.268 3.543 640 HE2 HIS 79 HE2 HIS 79 -2.440 -17.702 4.161 641 H ILE 80 HN ILE 80 -7.160 -13.560 2.878 642 HA ILE 80 HA ILE 80 -6.161 -12.065 0.570 643 HB ILE 80 HB ILE 80 -8.245 -11.193 1.290 644 1HG1 ILE 80 2HG1 ILE 80 -6.144 -9.446 2.567 645 2HG1 ILE 80 1HG1 ILE 80 -6.423 -9.541 0.833 646 1HG2 ILE 80 1HG2 ILE 80 -7.110 -11.255 4.078 647 2HG2 ILE 80 2HG2 ILE 80 -8.465 -12.192 3.447 648 3HG2 ILE 80 3HG2 ILE 80 -8.614 -10.445 3.642 649 1HD1 ILE 80 1HD1 ILE 80 -7.488 -7.583 1.816 650 2HD1 ILE 80 2HD1 ILE 80 -8.425 -8.626 2.885 651 3HD1 ILE 80 3HD1 ILE 80 -8.682 -8.693 1.142 652 H THR 81 HN THR 81 -4.042 -11.718 0.606 653 HA THR 81 HA THR 81 -2.673 -11.415 3.181 654 HB THR 81 HB THR 81 -0.959 -11.406 0.827 655 HG1 THR 81 HG1 THR 81 -1.405 -13.634 0.330 656 1HG2 THR 81 1HG2 THR 81 -1.186 -13.328 3.129 657 2HG2 THR 81 2HG2 THR 81 -0.123 -11.923 3.044 658 3HG2 THR 81 3HG2 THR 81 0.118 -13.279 1.943 659 H LEU 82 HN LEU 82 -1.785 -9.519 3.812 660 HA LEU 82 HA LEU 82 -1.747 -7.321 1.852 661 1HB LEU 82 HB2 LEU 82 -3.320 -7.544 4.192 662 2HB LEU 82 HB1 LEU 82 -2.097 -6.334 4.523 663 HG LEU 82 HG LEU 82 -3.850 -5.066 3.701 664 1HD1 LEU 82 1HD1 LEU 82 -1.635 -4.890 2.375 665 2HD1 LEU 82 2HD1 LEU 82 -3.078 -4.082 1.763 666 3HD1 LEU 82 3HD1 LEU 82 -2.563 -5.617 1.064 667 1HD2 LEU 82 1HD2 LEU 82 -5.576 -5.928 2.611 668 2HD2 LEU 82 2HD2 LEU 82 -4.733 -7.478 2.606 669 3HD2 LEU 82 3HD2 LEU 82 -4.560 -6.375 1.240 670 H TRP 83 HN TRP 83 0.284 -6.715 1.493 671 HA TRP 83 HA TRP 83 2.204 -6.807 3.730 672 1HB TRP 83 HB2 TRP 83 3.116 -6.527 0.895 673 2HB TRP 83 HB1 TRP 83 3.943 -7.254 2.261 674 HD1 TRP 83 HD1 TRP 83 1.015 -9.124 2.624 675 HE1 TRP 83 HE1 TRP 83 0.972 -11.266 1.214 676 HE3 TRP 83 HE3 TRP 83 4.712 -7.975 -0.711 677 HZ2 TRP 83 HZ2 TRP 83 2.322 -12.338 -1.017 678 HZ3 TRP 83 HZ3 TRP 83 5.278 -9.617 -2.452 679 HH2 TRP 83 HH2 TRP 83 4.107 -11.754 -2.600 680 H PHE 84 HN PHE 84 2.916 -4.881 4.496 681 HA PHE 84 HA PHE 84 2.443 -2.526 2.801 682 1HB PHE 84 HB2 PHE 84 2.462 -2.767 5.805 683 2HB PHE 84 HB1 PHE 84 2.492 -1.223 4.969 684 HD1 PHE 84 HD1 PHE 84 0.554 -4.368 4.421 685 HD2 PHE 84 HD2 PHE 84 0.461 -0.181 5.188 686 HE1 PHE 84 HE1 PHE 84 -1.895 -4.397 4.265 687 HE2 PHE 84 HE2 PHE 84 -1.994 -0.208 5.031 688 HZ PHE 84 HZ PHE 84 -3.176 -2.319 4.568 689 H TRP 85 HN TRP 85 4.167 -1.628 1.944 690 HA TRP 85 HA TRP 85 6.807 -2.116 3.103 691 1HB TRP 85 HB2 TRP 85 6.105 -0.852 0.448 692 2HB TRP 85 HB1 TRP 85 7.697 -1.395 0.965 693 HD1 TRP 85 HD1 TRP 85 4.538 -2.604 -0.666 694 HE1 TRP 85 HE1 TRP 85 4.769 -5.098 -1.259 695 HE3 TRP 85 HE3 TRP 85 8.840 -3.654 1.889 696 HZ2 TRP 85 HZ2 TRP 85 6.541 -7.227 -0.715 697 HZ3 TRP 85 HZ3 TRP 85 9.736 -5.942 1.802 698 HH2 TRP 85 HH2 TRP 85 8.608 -7.692 0.526 699 H LEU 86 HN LEU 86 8.290 -0.419 3.557 700 HA LEU 86 HA LEU 86 6.952 2.118 4.164 701 1HB LEU 86 HB2 LEU 86 8.046 0.981 6.019 702 2HB LEU 86 HB1 LEU 86 9.570 1.008 5.159 703 HG LEU 86 HG LEU 86 9.250 2.730 7.005 704 1HD1 LEU 86 1HD1 LEU 86 10.866 2.756 4.949 705 2HD1 LEU 86 2HD1 LEU 86 10.698 4.179 5.977 706 3HD1 LEU 86 3HD1 LEU 86 9.853 4.104 4.432 707 1HD2 LEU 86 1HD2 LEU 86 7.630 4.163 4.912 708 2HD2 LEU 86 2HD2 LEU 86 7.975 4.680 6.562 709 3HD2 LEU 86 3HD2 LEU 86 6.912 3.302 6.274 710 H VAL 87 HN VAL 87 7.047 3.419 2.479 711 HA VAL 87 HA VAL 87 9.304 3.611 0.698 712 HB VAL 87 HB VAL 87 6.990 5.495 0.857 713 1HG1 VAL 87 1HG1 VAL 87 9.185 5.030 -0.998 714 2HG1 VAL 87 2HG1 VAL 87 8.181 6.454 -0.769 715 3HG1 VAL 87 3HG1 VAL 87 7.607 5.124 -1.772 716 1HG2 VAL 87 1HG2 VAL 87 7.167 2.767 -0.410 717 2HG2 VAL 87 2HG2 VAL 87 5.942 3.965 -0.860 718 3HG2 VAL 87 3HG2 VAL 87 5.997 3.334 0.786 719 H GLU 88 HN GLU 88 10.706 5.357 0.435 720 HA GLU 88 HA GLU 88 10.663 7.174 2.749 721 1HB GLU 88 HB2 GLU 88 13.059 7.324 2.664 722 2HB GLU 88 HB1 GLU 88 12.594 5.629 2.680 723 1HG GLU 88 HG2 GLU 88 13.010 6.894 0.037 724 2HG GLU 88 HG1 GLU 88 14.434 6.603 1.035 725 H ARG 89 HN ARG 89 10.762 7.135 -0.754 726 HA ARG 89 HA ARG 89 10.261 9.958 -0.768 727 1HB ARG 89 HB2 ARG 89 12.586 10.245 -0.582 728 2HB ARG 89 HB1 ARG 89 12.927 8.905 -1.664 729 1HG ARG 89 HG2 ARG 89 12.116 10.198 -3.555 730 2HG ARG 89 HG1 ARG 89 11.716 11.539 -2.478 731 1HD ARG 89 HD2 ARG 89 14.466 10.631 -2.182 732 2HD ARG 89 HD1 ARG 89 14.102 11.177 -3.818 733 HE ARG 89 HE ARG 89 13.203 12.980 -1.768 734 1HH1 ARG 89 1HH1 ARG 89 15.897 12.053 -3.783 735 2HH1 ARG 89 2HH1 ARG 89 16.660 13.604 -3.692 736 1HH2 ARG 89 1HH2 ARG 89 14.205 15.021 -1.647 737 2HH2 ARG 89 2HH2 ARG 89 15.701 15.290 -2.479 738 H TRP 90 HN TRP 90 9.927 10.812 -2.989 739 HA TRP 90 HA TRP 90 9.703 8.919 -5.111 740 1HB TRP 90 HB2 TRP 90 7.426 8.651 -5.291 741 2HB TRP 90 HB1 TRP 90 7.605 8.720 -3.548 742 HD1 TRP 90 HD1 TRP 90 6.775 11.193 -6.433 743 HE1 TRP 90 HE1 TRP 90 4.979 12.821 -5.566 744 HE3 TRP 90 HE3 TRP 90 6.424 9.526 -1.611 745 HZ2 TRP 90 HZ2 TRP 90 3.591 13.321 -3.167 746 HZ3 TRP 90 HZ3 TRP 90 4.829 10.633 -0.098 747 HH2 TRP 90 HH2 TRP 90 3.444 12.491 -0.860 748 H GLU 91 HN GLU 91 10.199 9.894 -6.953 749 HA GLU 91 HA GLU 91 10.475 12.736 -7.045 750 1HB GLU 91 HB2 GLU 91 10.879 10.512 -9.020 751 2HB GLU 91 HB1 GLU 91 10.943 12.188 -9.544 752 1HG GLU 91 HG2 GLU 91 12.566 11.532 -7.180 753 2HG GLU 91 HG1 GLU 91 13.074 10.785 -8.695 754 H GLY 92 HN GLY 92 9.261 14.259 -8.082 755 1HA GLY 92 HA2 GLY 92 7.374 15.231 -8.953 756 2HA GLY 92 HA1 GLY 92 7.282 13.819 -9.994 757 H GLU 93 HN GLU 93 5.383 12.845 -9.895 758 HA GLU 93 HA GLU 93 4.070 12.589 -7.280 759 1HB GLU 93 HB2 GLU 93 2.527 13.078 -9.818 760 2HB GLU 93 HB1 GLU 93 1.944 13.153 -8.160 761 1HG GLU 93 HG2 GLU 93 3.356 15.129 -7.778 762 2HG GLU 93 HG1 GLU 93 3.862 15.069 -9.465 763 HA PRO 94 HA PRO 94 3.787 8.329 -8.506 764 1HB PRO 94 HB2 PRO 94 1.683 7.905 -6.555 765 2HB PRO 94 HB1 PRO 94 3.369 7.392 -6.485 766 1HG PRO 94 HG2 PRO 94 2.316 9.294 -4.844 767 2HG PRO 94 HG1 PRO 94 4.023 9.252 -5.323 768 1HD PRO 94 HD2 PRO 94 1.788 10.928 -6.410 769 2HD PRO 94 HD1 PRO 94 3.465 11.387 -6.044 770 H TRP 95 HN TRP 95 2.699 7.444 -10.174 771 HA TRP 95 HA TRP 95 -0.154 8.101 -10.395 772 1HB TRP 95 HB2 TRP 95 0.184 8.011 -12.910 773 2HB TRP 95 HB1 TRP 95 0.835 9.414 -12.079 774 HD1 TRP 95 HD1 TRP 95 3.490 9.661 -12.003 775 HE1 TRP 95 HE1 TRP 95 5.359 8.677 -13.483 776 HE3 TRP 95 HE3 TRP 95 0.891 5.798 -14.094 777 HZ2 TRP 95 HZ2 TRP 95 5.666 6.555 -15.314 778 HZ3 TRP 95 HZ3 TRP 95 2.040 4.343 -15.708 779 HH2 TRP 95 HH2 TRP 95 4.381 4.705 -16.296 780 H GLY 96 HN GLY 96 2.242 5.936 -11.884 781 1HA GLY 96 HA2 GLY 96 2.007 3.761 -12.639 782 2HA GLY 96 HA1 GLY 96 1.350 3.509 -11.037 783 H LYS 97 HN LYS 97 -0.834 3.237 -10.755 784 HA LYS 97 HA LYS 97 -2.857 3.851 -12.559 785 1HB LYS 97 HB2 LYS 97 -1.344 1.883 -13.667 786 2HB LYS 97 HB1 LYS 97 -2.534 0.926 -12.797 787 1HG LYS 97 HG2 LYS 97 -4.222 2.573 -13.963 788 2HG LYS 97 HG1 LYS 97 -2.892 2.755 -15.109 789 1HD LYS 97 HD2 LYS 97 -4.271 1.007 -15.934 790 2HD LYS 97 HD1 LYS 97 -2.828 0.242 -15.263 791 1HE LYS 97 HE2 LYS 97 -4.028 -0.322 -13.238 792 2HE LYS 97 HE1 LYS 97 -5.456 0.536 -13.814 793 1HZ LYS 97 HZ1 LYS 97 -5.669 -1.049 -15.603 794 2HZ LYS 97 HZ2 LYS 97 -5.626 -1.868 -14.125 795 3HZ LYS 97 HZ3 LYS 97 -4.259 -1.848 -15.119 796 H GLU 98 HN GLU 98 -2.373 3.743 -9.730 797 HA GLU 98 HA GLU 98 -3.608 1.613 -8.399 798 1HB GLU 98 HB2 GLU 98 -4.091 3.391 -6.622 799 2HB GLU 98 HB1 GLU 98 -2.411 3.154 -7.073 800 1HG GLU 98 HG2 GLU 98 -2.351 5.140 -8.326 801 2HG GLU 98 HG1 GLU 98 -4.107 5.293 -8.313 802 H GLY 99 HN GLY 99 -4.975 4.494 -9.916 803 1HA GLY 99 HA2 GLY 99 -7.123 4.686 -10.812 804 2HA GLY 99 HA1 GLY 99 -7.575 3.201 -9.992 805 H GLN 100 HN GLN 100 -6.029 5.360 -7.895 806 HA GLN 100 HA GLN 100 -8.535 6.650 -7.104 807 1HB GLN 100 HB2 GLN 100 -7.867 6.081 -4.673 808 2HB GLN 100 HB1 GLN 100 -8.652 4.842 -5.641 809 1HG GLN 100 HG2 GLN 100 -5.683 4.941 -5.617 810 2HG GLN 100 HG1 GLN 100 -6.521 4.320 -4.195 811 1HE2 GLN 100 1HE2 GLN 100 -5.155 2.436 -5.025 812 2HE2 GLN 100 2HE2 GLN 100 -5.956 1.335 -6.088 813 HA PRO 101 HA PRO 101 -5.356 9.926 -7.465 814 1HB PRO 101 HB2 PRO 101 -7.924 11.223 -6.617 815 2HB PRO 101 HB1 PRO 101 -6.706 11.808 -7.759 816 1HG PRO 101 HG2 PRO 101 -8.921 10.706 -8.671 817 2HG PRO 101 HG1 PRO 101 -7.363 10.289 -9.413 818 1HD PRO 101 HD2 PRO 101 -9.072 8.691 -7.569 819 2HD PRO 101 HD1 PRO 101 -8.010 8.148 -8.885 820 H GLY 102 HN GLY 102 -4.106 10.794 -5.897 821 1HA GLY 102 HA2 GLY 102 -5.185 10.918 -3.156 822 2HA GLY 102 HA1 GLY 102 -3.638 10.146 -3.466 823 H GLU 103 HN GLU 103 -3.457 12.006 -1.679 824 HA GLU 103 HA GLU 103 -2.096 14.206 -3.048 825 1HB GLU 103 HB2 GLU 103 -4.536 14.729 -2.141 826 2HB GLU 103 HB1 GLU 103 -3.684 14.882 -0.611 827 1HG GLU 103 HG2 GLU 103 -3.677 17.043 -1.391 828 2HG GLU 103 HG1 GLU 103 -2.104 16.453 -1.926 829 H TRP 104 HN TRP 104 -0.500 15.291 -1.669 830 HA TRP 104 HA TRP 104 0.784 13.384 0.077 831 1HB TRP 104 HB2 TRP 104 1.858 16.143 -0.004 832 2HB TRP 104 HB1 TRP 104 2.692 14.608 -0.201 833 HD1 TRP 104 HD1 TRP 104 1.076 13.579 -2.784 834 HE1 TRP 104 HE1 TRP 104 1.525 14.704 -5.056 835 HE3 TRP 104 HE3 TRP 104 3.043 17.999 -1.128 836 HZ2 TRP 104 HZ2 TRP 104 2.575 17.141 -6.018 837 HZ3 TRP 104 HZ3 TRP 104 3.745 19.673 -2.789 838 HH2 TRP 104 HH2 TRP 104 3.516 19.251 -5.184 839 H MET 105 HN MET 105 -0.064 13.118 2.037 840 HA MET 105 HA MET 105 -0.632 15.527 3.636 841 1HB MET 105 HB2 MET 105 -2.145 13.792 4.935 842 2HB MET 105 HB1 MET 105 -2.745 14.652 3.525 843 1HG MET 105 HG2 MET 105 -1.991 12.631 2.176 844 2HG MET 105 HG1 MET 105 -1.828 11.806 3.725 845 1HE MET 105 HE1 MET 105 -4.856 12.307 0.927 846 2HE MET 105 HE2 MET 105 -3.810 13.672 1.318 847 3HE MET 105 HE3 MET 105 -5.484 13.658 1.872 848 H SER 106 HN SER 106 -0.397 15.190 6.007 849 HA SER 106 HA SER 106 2.130 13.930 6.544 850 1HB SER 106 HB2 SER 106 1.615 14.734 8.927 851 2HB SER 106 HB1 SER 106 1.791 15.974 7.686 852 HG SER 106 HG SER 106 -0.681 14.895 8.571 853 H LEU 107 HN LEU 107 2.321 11.827 6.930 854 HA LEU 107 HA LEU 107 0.166 10.112 7.510 855 1HB LEU 107 HB2 LEU 107 2.470 9.572 6.492 856 2HB LEU 107 HB1 LEU 107 3.032 9.470 8.148 857 HG LEU 107 HG LEU 107 2.398 7.287 6.995 858 1HD1 LEU 107 1HD1 LEU 107 2.126 6.379 9.026 859 2HD1 LEU 107 2HD1 LEU 107 0.751 7.409 9.420 860 3HD1 LEU 107 3HD1 LEU 107 2.394 8.024 9.598 861 1HD2 LEU 107 1HD2 LEU 107 -0.403 8.193 7.634 862 2HD2 LEU 107 2HD2 LEU 107 0.094 6.680 6.879 863 3HD2 LEU 107 3HD2 LEU 107 0.284 8.203 6.011 864 H VAL 108 HN VAL 108 2.053 12.121 9.537 865 HA VAL 108 HA VAL 108 2.075 10.756 11.949 866 HB VAL 108 HB VAL 108 3.238 12.893 11.579 867 1HG1 VAL 108 1HG1 VAL 108 2.230 14.846 11.098 868 2HG1 VAL 108 2HG1 VAL 108 0.866 14.528 12.168 869 3HG1 VAL 108 3HG1 VAL 108 0.909 13.809 10.559 870 1HG2 VAL 108 1HG2 VAL 108 1.319 12.841 13.905 871 2HG2 VAL 108 2HG2 VAL 108 2.707 13.921 13.782 872 3HG2 VAL 108 3HG2 VAL 108 2.952 12.176 13.851 873 H GLY 109 HN GLY 109 -0.607 12.080 10.234 874 1HA GLY 109 HA2 GLY 109 -2.302 11.788 12.631 875 2HA GLY 109 HA1 GLY 109 -2.676 12.837 11.273 876 H LEU 110 HN LEU 110 -1.495 9.527 11.015 877 HA LEU 110 HA LEU 110 -3.494 8.773 9.181 878 1HB LEU 110 HB2 LEU 110 -1.158 7.733 9.711 879 2HB LEU 110 HB1 LEU 110 -2.045 6.778 10.881 880 HG LEU 110 HG LEU 110 -3.374 5.765 9.157 881 1HD1 LEU 110 1HD1 LEU 110 -2.423 6.481 6.718 882 2HD1 LEU 110 2HD1 LEU 110 -2.388 8.026 7.569 883 3HD1 LEU 110 3HD1 LEU 110 -3.896 7.120 7.448 884 1HD2 LEU 110 1HD2 LEU 110 -0.423 5.849 8.615 885 2HD2 LEU 110 2HD2 LEU 110 -1.511 4.804 7.701 886 3HD2 LEU 110 3HD2 LEU 110 -1.357 4.607 9.448 887 H ASN 111 HN ASN 111 -5.421 7.666 9.422 888 HA ASN 111 HA ASN 111 -6.301 7.228 12.193 889 1HB ASN 111 HB2 ASN 111 -7.373 8.995 10.251 890 2HB ASN 111 HB1 ASN 111 -8.550 7.713 10.509 891 1HD2 ASN 111 1HD2 ASN 111 -6.607 10.154 12.128 892 2HD2 ASN 111 2HD2 ASN 111 -7.654 10.350 13.488 893 H ALA 112 HN ALA 112 -7.147 5.339 12.715 894 HA ALA 112 HA ALA 112 -7.143 3.200 10.827 895 1HB ALA 112 HB1 ALA 112 -6.618 2.990 13.288 896 2HB ALA 112 HB2 ALA 112 -7.721 1.778 12.637 897 3HB ALA 112 HB3 ALA 112 -8.351 3.127 13.584 898 H ASP 113 HN ASP 113 -9.410 5.570 11.713 899 HA ASP 113 HA ASP 113 -11.784 4.046 11.181 900 1HB ASP 113 HB2 ASP 113 -11.140 6.664 12.206 901 2HB ASP 113 HB1 ASP 113 -12.389 6.787 10.970 902 H ASP 114 HN ASP 114 -9.999 6.605 9.455 903 HA ASP 114 HA ASP 114 -11.679 6.636 7.190 904 1HB ASP 114 HB2 ASP 114 -9.259 7.926 8.049 905 2HB ASP 114 HB1 ASP 114 -9.134 7.463 6.361 906 H PHE 115 HN PHE 115 -8.705 4.892 7.921 907 HA PHE 115 HA PHE 115 -8.516 3.721 5.302 908 1HB PHE 115 HB2 PHE 115 -6.449 3.048 5.976 909 2HB PHE 115 HB1 PHE 115 -6.720 4.166 7.314 910 HD1 PHE 115 HD1 PHE 115 -8.533 2.787 9.017 911 HD2 PHE 115 HD2 PHE 115 -5.273 1.227 6.793 912 HE1 PHE 115 HE1 PHE 115 -8.332 0.942 10.631 913 HE2 PHE 115 HE2 PHE 115 -5.065 -0.621 8.398 914 HZ PHE 115 HZ PHE 115 -6.598 -0.765 10.314 915 HA PRO 116 HA PRO 116 -10.818 -0.003 5.966 916 1HB PRO 116 HB2 PRO 116 -9.233 -2.030 5.146 917 2HB PRO 116 HB1 PRO 116 -9.916 -0.851 4.020 918 1HG PRO 116 HG2 PRO 116 -7.166 -0.982 5.189 919 2HG PRO 116 HG1 PRO 116 -7.662 -0.600 3.529 920 1HD PRO 116 HD2 PRO 116 -6.981 1.293 5.372 921 2HD PRO 116 HD1 PRO 116 -8.112 1.591 4.038 922 HA PRO 117 HA PRO 117 -9.702 -1.204 10.148 923 1HB PRO 117 HB2 PRO 117 -11.713 -3.068 10.442 924 2HB PRO 117 HB1 PRO 117 -11.901 -1.334 10.716 925 1HG PRO 117 HG2 PRO 117 -12.606 -2.961 8.309 926 2HG PRO 117 HG1 PRO 117 -13.508 -1.638 9.072 927 1HD PRO 117 HD2 PRO 117 -12.081 -1.249 6.837 928 2HD PRO 117 HD1 PRO 117 -12.176 -0.004 8.101 929 H ALA 118 HN ALA 118 -9.785 -3.250 7.385 930 HA ALA 118 HA ALA 118 -9.126 -5.711 8.587 931 1HB ALA 118 HB1 ALA 118 -9.037 -4.600 5.844 932 2HB ALA 118 HB2 ALA 118 -9.832 -6.049 6.458 933 3HB ALA 118 HB3 ALA 118 -8.093 -6.053 6.170 934 H ASN 119 HN ASN 119 -7.270 -2.891 8.365 935 HA ASN 119 HA ASN 119 -4.831 -4.465 8.845 936 1HB ASN 119 HB2 ASN 119 -5.329 -2.607 6.715 937 2HB ASN 119 HB1 ASN 119 -4.045 -1.979 7.741 938 1HD2 ASN 119 1HD2 ASN 119 -5.077 -4.815 5.929 939 2HD2 ASN 119 2HD2 ASN 119 -3.487 -5.406 5.602 940 H GLU 120 HN GLU 120 -6.565 -3.460 10.860 941 HA GLU 120 HA GLU 120 -5.578 -0.987 11.882 942 1HB GLU 120 HB2 GLU 120 -7.657 -2.801 12.538 943 2HB GLU 120 HB1 GLU 120 -6.678 -2.584 13.980 944 1HG GLU 120 HG2 GLU 120 -7.694 -0.668 14.368 945 2HG GLU 120 HG1 GLU 120 -7.053 -0.033 12.854 946 HA PRO 121 HA PRO 121 -3.134 -4.042 14.897 947 1HB PRO 121 HB2 PRO 121 -2.604 -6.130 12.845 948 2HB PRO 121 HB1 PRO 121 -2.896 -6.308 14.580 949 1HG PRO 121 HG2 PRO 121 -4.785 -6.949 12.821 950 2HG PRO 121 HG1 PRO 121 -5.201 -6.135 14.341 951 1HD PRO 121 HD2 PRO 121 -5.010 -5.011 11.578 952 2HD PRO 121 HD1 PRO 121 -6.172 -4.641 12.869 953 H VAL 122 HN VAL 122 -2.566 -3.882 11.423 954 HA VAL 122 HA VAL 122 0.288 -3.716 11.636 955 HB VAL 122 HB VAL 122 -1.317 -2.873 9.238 956 1HG1 VAL 122 1HG1 VAL 122 0.585 -3.219 8.015 957 2HG1 VAL 122 2HG1 VAL 122 1.216 -4.429 9.134 958 3HG1 VAL 122 3HG1 VAL 122 1.291 -2.716 9.552 959 1HG2 VAL 122 1HG2 VAL 122 -2.312 -4.893 9.375 960 2HG2 VAL 122 2HG2 VAL 122 -1.052 -5.567 10.409 961 3HG2 VAL 122 3HG2 VAL 122 -0.791 -5.440 8.669 962 H ILE 123 HN ILE 123 -2.283 -1.426 10.751 963 HA ILE 123 HA ILE 123 -0.548 0.817 10.592 964 HB ILE 123 HB ILE 123 -3.541 0.545 10.751 965 1HG1 ILE 123 2HG1 ILE 123 -1.658 0.389 8.667 966 2HG1 ILE 123 1HG1 ILE 123 -3.408 0.444 8.518 967 1HG2 ILE 123 1HG2 ILE 123 -3.623 3.001 10.235 968 2HG2 ILE 123 2HG2 ILE 123 -1.922 3.082 10.694 969 3HG2 ILE 123 3HG2 ILE 123 -3.133 2.595 11.880 970 1HD1 ILE 123 1HD1 ILE 123 -2.403 2.112 7.107 971 2HD1 ILE 123 2HD1 ILE 123 -1.531 2.792 8.480 972 3HD1 ILE 123 3HD1 ILE 123 -3.291 2.900 8.413 973 H ALA 124 HN ALA 124 -2.354 -0.682 13.168 974 HA ALA 124 HA ALA 124 -2.494 1.385 15.015 975 1HB ALA 124 HB1 ALA 124 -3.630 -0.679 15.434 976 2HB ALA 124 HB2 ALA 124 -2.475 -0.420 16.741 977 3HB ALA 124 HB3 ALA 124 -2.110 -1.572 15.456 978 H LYS 125 HN LYS 125 0.231 -0.505 13.966 979 HA LYS 125 HA LYS 125 1.934 0.118 16.173 980 1HB LYS 125 HB2 LYS 125 2.071 -1.690 14.177 981 2HB LYS 125 HB1 LYS 125 3.156 -0.463 13.537 982 1HG LYS 125 HG2 LYS 125 3.550 -1.258 16.358 983 2HG LYS 125 HG1 LYS 125 3.978 -2.438 15.118 984 1HD LYS 125 HD2 LYS 125 5.951 -1.354 15.109 985 2HD LYS 125 HD1 LYS 125 5.096 -0.191 14.095 986 1HE LYS 125 HE2 LYS 125 4.975 1.366 15.744 987 2HE LYS 125 HE1 LYS 125 4.857 0.158 17.023 988 1HZ LYS 125 HZ1 LYS 125 7.285 -0.319 16.491 989 2HZ LYS 125 HZ2 LYS 125 6.942 1.120 17.310 990 3HZ LYS 125 HZ3 LYS 125 7.279 1.152 15.653 991 H LEU 126 HN LEU 126 1.797 1.354 12.827 992 HA LEU 126 HA LEU 126 3.674 3.456 13.394 993 1HB LEU 126 HB2 LEU 126 2.688 2.204 11.096 994 2HB LEU 126 HB1 LEU 126 2.116 3.857 10.987 995 HG LEU 126 HG LEU 126 4.380 4.704 11.131 996 1HD1 LEU 126 1HD1 LEU 126 5.820 2.217 10.864 997 2HD1 LEU 126 2HD1 LEU 126 4.937 2.284 12.390 998 3HD1 LEU 126 3HD1 LEU 126 6.083 3.558 11.979 999 1HD2 LEU 126 1HD2 LEU 126 3.883 4.360 8.914 1000 2HD2 LEU 126 2HD2 LEU 126 3.748 2.612 9.102 1001 3HD2 LEU 126 3HD2 LEU 126 5.337 3.378 9.090 1002 H LYS 127 HN LYS 127 0.215 3.109 13.320 1003 HA LYS 127 HA LYS 127 -0.594 5.760 13.068 1004 1HB LYS 127 HB2 LYS 127 -2.084 3.809 13.021 1005 2HB LYS 127 HB1 LYS 127 -1.860 3.594 14.745 1006 1HG LYS 127 HG2 LYS 127 -3.012 5.580 15.250 1007 2HG LYS 127 HG1 LYS 127 -2.954 6.131 13.575 1008 1HD LYS 127 HD2 LYS 127 -4.758 4.920 12.986 1009 2HD LYS 127 HD1 LYS 127 -4.262 3.532 13.958 1010 1HE LYS 127 HE2 LYS 127 -5.150 5.938 15.430 1011 2HE LYS 127 HE1 LYS 127 -6.390 5.053 14.543 1012 1HZ LYS 127 HZ1 LYS 127 -6.416 4.003 16.565 1013 2HZ LYS 127 HZ2 LYS 127 -4.752 4.173 16.818 1014 3HZ LYS 127 HZ3 LYS 127 -5.327 3.018 15.723 1015 H ARG 128 HN ARG 128 0.330 3.914 15.934 1016 HA ARG 128 HA ARG 128 -0.180 6.039 17.767 1017 1HB ARG 128 HB2 ARG 128 -0.108 3.609 18.380 1018 2HB ARG 128 HB1 ARG 128 1.632 3.647 18.134 1019 1HG ARG 128 HG2 ARG 128 1.197 5.746 19.863 1020 2HG ARG 128 HG1 ARG 128 0.044 4.524 20.403 1021 1HD ARG 128 HD2 ARG 128 2.291 4.399 21.498 1022 2HD ARG 128 HD1 ARG 128 1.775 2.913 20.701 1023 HE ARG 128 HE ARG 128 3.395 4.614 19.043 1024 1HH1 ARG 128 1HH1 ARG 128 3.433 2.091 21.455 1025 2HH1 ARG 128 2HH1 ARG 128 5.000 1.509 21.000 1026 1HH2 ARG 128 1HH2 ARG 128 5.455 3.850 18.444 1027 2HH2 ARG 128 2HH2 ARG 128 6.148 2.508 19.293 1028 H LEU 129 HN LEU 129 2.092 5.660 15.387 1029 HA LEU 129 HA LEU 129 4.152 6.529 14.944 1030 1HB LEU 129 HB2 LEU 129 3.635 8.851 16.700 1031 2HB LEU 129 HB1 LEU 129 4.157 8.799 15.028 1032 HG LEU 129 HG LEU 129 1.594 7.888 14.809 1033 1HD1 LEU 129 1HD1 LEU 129 0.487 9.907 16.192 1034 2HD1 LEU 129 2HD1 LEU 129 1.804 9.475 17.282 1035 3HD1 LEU 129 3HD1 LEU 129 0.620 8.259 16.807 1036 1HD2 LEU 129 1HD2 LEU 129 1.808 10.811 14.757 1037 2HD2 LEU 129 2HD2 LEU 129 1.370 9.680 13.478 1038 3HD2 LEU 129 3HD2 LEU 129 3.068 9.968 13.855 1039 1HO1 MO2 130 1HO1 MO2 130 -5.204 -2.508 -8.082 1040 2HO1 MO2 130 2HO1 MO2 130 -4.846 -3.092 -11.261 1041 1HO2 MO2 130 1HO2 MO2 130 -4.891 -1.056 -8.370 1042 2HO2 MO2 130 2HO2 MO2 130 -3.580 -3.109 -12.087 1043 1H5* 8OG 131 1H5* ODG 131 -8.118 -3.090 -3.537 1044 2H5* 8OG 131 2H5* ODG 131 -6.966 -4.396 -3.565 1045 H4* 8OG 131 1H4* ODG 131 -8.036 -5.086 -2.128 1046 H3* 8OG 131 1H3* ODG 131 -7.843 -6.484 -4.583 1047 1H2* 8OG 131 1H2* ODG 131 -9.858 -7.420 -4.836 1048 2H2* 8OG 131 2H2* ODG 131 -9.788 -8.049 -3.205 1049 H1* 8OG 131 1H1* ODG 131 -11.230 -6.533 -2.487 1050 H1 8OG 131 H1 ODG 131 -17.015 -6.147 -3.879 1051 H7 8OG 131 H7 ODG 131 -13.243 -5.320 -7.035 1052 1H2 8OG 131 H21 ODG 131 -15.500 -6.852 -0.805 1053 2H2 8OG 131 H22 ODG 131 -16.986 -6.672 -1.678 1054 H3T 8OG 131 *HO1 ODG 131 -7.384 -8.249 -3.145 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -10.816 -22.908 -3.931 2 2H MET 1 HT2 MET 1 -10.258 -24.312 -3.115 3 3H MET 1 HT3 MET 1 -9.458 -23.765 -4.532 4 HA MET 1 HA MET 1 -9.516 -22.551 -1.862 5 1HB MET 1 HB2 MET 1 -7.413 -23.638 -3.733 6 2HB MET 1 HB1 MET 1 -7.008 -22.639 -2.344 7 1HG MET 1 HG2 MET 1 -6.969 -24.464 -1.106 8 2HG MET 1 HG1 MET 1 -8.703 -24.633 -1.365 9 1HE MET 1 HE1 MET 1 -5.337 -27.109 -3.160 10 2HE MET 1 HE2 MET 1 -5.499 -26.561 -1.492 11 3HE MET 1 HE3 MET 1 -5.182 -25.395 -2.776 12 H LYS 2 HN LYS 2 -10.175 -20.483 -2.095 13 HA LYS 2 HA LYS 2 -9.128 -18.916 -4.344 14 1HB LYS 2 HB2 LYS 2 -10.992 -17.508 -2.608 15 2HB LYS 2 HB1 LYS 2 -11.063 -17.778 -4.342 16 1HG LYS 2 HG2 LYS 2 -11.817 -20.174 -3.666 17 2HG LYS 2 HG1 LYS 2 -12.204 -19.409 -2.123 18 1HD LYS 2 HD2 LYS 2 -13.203 -18.443 -4.800 19 2HD LYS 2 HD1 LYS 2 -14.116 -19.497 -3.718 20 1HE LYS 2 HE2 LYS 2 -13.118 -16.731 -3.050 21 2HE LYS 2 HE1 LYS 2 -14.776 -17.145 -3.485 22 1HZ LYS 2 HZ1 LYS 2 -13.351 -17.571 -0.988 23 2HZ LYS 2 HZ2 LYS 2 -14.366 -18.833 -1.477 24 3HZ LYS 2 HZ3 LYS 2 -14.995 -17.277 -1.262 25 H LYS 3 HN LYS 3 -7.538 -17.507 -4.050 26 HA LYS 3 HA LYS 3 -7.132 -16.327 -1.402 27 1HB LYS 3 HB2 LYS 3 -4.647 -16.702 -1.678 28 2HB LYS 3 HB1 LYS 3 -5.597 -18.139 -1.330 29 1HG LYS 3 HG2 LYS 3 -5.628 -18.448 -3.898 30 2HG LYS 3 HG1 LYS 3 -4.263 -17.329 -3.877 31 1HD LYS 3 HD2 LYS 3 -4.196 -19.605 -1.975 32 2HD LYS 3 HD1 LYS 3 -3.952 -19.968 -3.685 33 1HE LYS 3 HE2 LYS 3 -2.433 -17.661 -2.698 34 2HE LYS 3 HE1 LYS 3 -1.994 -19.198 -1.954 35 1HZ LYS 3 HZ1 LYS 3 -0.696 -18.688 -3.962 36 2HZ LYS 3 HZ2 LYS 3 -2.115 -18.721 -4.881 37 3HZ LYS 3 HZ3 LYS 3 -1.576 -20.127 -4.111 38 H LEU 4 HN LEU 4 -6.159 -14.300 -1.409 39 HA LEU 4 HA LEU 4 -5.338 -13.154 -3.959 40 1HB LEU 4 HB2 LEU 4 -6.836 -11.305 -3.864 41 2HB LEU 4 HB1 LEU 4 -7.791 -12.770 -3.736 42 HG LEU 4 HG LEU 4 -7.431 -12.213 -1.114 43 1HD1 LEU 4 1HD1 LEU 4 -6.921 -9.734 -2.598 44 2HD1 LEU 4 2HD1 LEU 4 -6.499 -10.179 -0.945 45 3HD1 LEU 4 3HD1 LEU 4 -8.124 -9.600 -1.316 46 1HD2 LEU 4 1HD2 LEU 4 -9.542 -11.528 -3.096 47 2HD2 LEU 4 2HD2 LEU 4 -9.696 -10.912 -1.452 48 3HD2 LEU 4 3HD2 LEU 4 -9.590 -12.649 -1.734 49 H GLN 5 HN GLN 5 -3.527 -12.047 -3.660 50 HA GLN 5 HA GLN 5 -2.872 -11.133 -0.952 51 1HB GLN 5 HB2 GLN 5 -0.848 -11.136 -3.141 52 2HB GLN 5 HB1 GLN 5 -0.639 -11.436 -1.423 53 1HG GLN 5 HG2 GLN 5 -1.463 -13.642 -1.612 54 2HG GLN 5 HG1 GLN 5 -2.053 -13.353 -3.246 55 1HE2 GLN 5 1HE2 GLN 5 1.056 -12.401 -1.902 56 2HE2 GLN 5 2HE2 GLN 5 2.017 -13.384 -2.946 57 H ILE 6 HN ILE 6 -2.017 -9.086 -0.582 58 HA ILE 6 HA ILE 6 -2.281 -7.108 -2.727 59 HB ILE 6 HB ILE 6 -3.427 -6.804 0.054 60 1HG1 ILE 6 2HG1 ILE 6 -5.112 -6.470 -2.358 61 2HG1 ILE 6 1HG1 ILE 6 -4.598 -8.114 -2.000 62 1HG2 ILE 6 1HG2 ILE 6 -2.443 -4.735 -0.770 63 2HG2 ILE 6 2HG2 ILE 6 -4.201 -4.619 -0.699 64 3HG2 ILE 6 3HG2 ILE 6 -3.394 -4.863 -2.249 65 1HD1 ILE 6 1HD1 ILE 6 -5.476 -7.694 0.352 66 2HD1 ILE 6 2HD1 ILE 6 -6.661 -7.882 -0.940 67 3HD1 ILE 6 3HD1 ILE 6 -6.267 -6.273 -0.332 68 H ALA 7 HN ALA 7 -0.600 -5.719 -2.788 69 HA ALA 7 HA ALA 7 1.115 -5.520 -0.394 70 1HB ALA 7 HB1 ALA 7 3.042 -5.276 -1.978 71 2HB ALA 7 HB2 ALA 7 1.956 -5.755 -3.285 72 3HB ALA 7 HB3 ALA 7 2.303 -6.876 -1.964 73 H VAL 8 HN VAL 8 1.311 -3.474 0.309 74 HA VAL 8 HA VAL 8 1.019 -1.320 -1.665 75 HB VAL 8 HB VAL 8 -0.616 -0.217 -0.573 76 1HG1 VAL 8 1HG1 VAL 8 -1.209 -2.767 0.881 77 2HG1 VAL 8 2HG1 VAL 8 -1.327 -2.670 -0.875 78 3HG1 VAL 8 3HG1 VAL 8 -2.325 -1.624 0.134 79 1HG2 VAL 8 1HG2 VAL 8 0.761 0.242 1.404 80 2HG2 VAL 8 2HG2 VAL 8 0.331 -1.338 2.065 81 3HG2 VAL 8 3HG2 VAL 8 -0.913 -0.107 1.845 82 H GLY 9 HN GLY 9 1.822 0.764 -0.918 83 1HA GLY 9 HA2 GLY 9 3.733 0.701 1.269 84 2HA GLY 9 HA1 GLY 9 4.403 0.927 -0.337 85 H ILE 10 HN ILE 10 3.505 2.557 2.329 86 HA ILE 10 HA ILE 10 2.100 4.764 1.195 87 HB ILE 10 HB ILE 10 3.399 5.776 3.431 88 1HG1 ILE 10 2HG1 ILE 10 2.946 4.062 5.194 89 2HG1 ILE 10 1HG1 ILE 10 2.714 2.875 3.918 90 1HG2 ILE 10 1HG2 ILE 10 0.855 5.489 2.544 91 2HG2 ILE 10 2HG2 ILE 10 1.301 6.158 4.113 92 3HG2 ILE 10 3HG2 ILE 10 0.841 4.462 3.977 93 1HD1 ILE 10 1HD1 ILE 10 5.087 3.633 3.168 94 2HD1 ILE 10 2HD1 ILE 10 4.897 2.515 4.520 95 3HD1 ILE 10 3HD1 ILE 10 5.207 4.224 4.826 96 H ILE 11 HN ILE 11 2.999 5.987 -0.337 97 HA ILE 11 HA ILE 11 5.812 6.201 -0.697 98 HB ILE 11 HB ILE 11 4.018 8.215 -1.953 99 1HG1 ILE 11 2HG1 ILE 11 3.970 5.250 -2.528 100 2HG1 ILE 11 1HG1 ILE 11 2.606 6.318 -2.216 101 1HG2 ILE 11 1HG2 ILE 11 5.973 6.548 -3.432 102 2HG2 ILE 11 2HG2 ILE 11 6.607 7.695 -2.253 103 3HG2 ILE 11 3HG2 ILE 11 5.600 8.265 -3.585 104 1HD1 ILE 11 1HD1 ILE 11 4.369 6.432 -4.649 105 2HD1 ILE 11 2HD1 ILE 11 2.931 7.408 -4.345 106 3HD1 ILE 11 3HD1 ILE 11 2.782 5.665 -4.573 107 H ARG 12 HN ARG 12 7.207 7.530 0.185 108 HA ARG 12 HA ARG 12 6.240 9.682 1.896 109 1HB ARG 12 HB2 ARG 12 8.688 8.047 1.743 110 2HB ARG 12 HB1 ARG 12 8.942 9.727 2.200 111 1HG ARG 12 HG2 ARG 12 6.723 8.559 3.639 112 2HG ARG 12 HG1 ARG 12 8.208 7.636 3.864 113 1HD ARG 12 HD2 ARG 12 8.893 10.371 4.054 114 2HD ARG 12 HD1 ARG 12 7.443 10.130 5.027 115 HE ARG 12 HE ARG 12 9.540 8.187 5.453 116 1HH1 ARG 12 1HH1 ARG 12 8.157 11.231 6.462 117 2HH1 ARG 12 2HH1 ARG 12 8.865 11.171 8.040 118 1HH2 ARG 12 1HH2 ARG 12 10.470 8.109 7.528 119 2HH2 ARG 12 2HH2 ARG 12 10.177 9.400 8.646 120 H ASN 13 HN ASN 13 6.460 11.781 1.492 121 HA ASN 13 HA ASN 13 7.589 12.554 -1.082 122 1HB ASN 13 HB2 ASN 13 6.278 14.519 -0.991 123 2HB ASN 13 HB1 ASN 13 5.251 13.228 -0.418 124 1HD2 ASN 13 1HD2 ASN 13 4.778 15.926 0.066 125 2HD2 ASN 13 2HD2 ASN 13 4.917 16.209 1.765 126 H GLU 14 HN GLU 14 8.114 15.101 -0.831 127 HA GLU 14 HA GLU 14 10.720 15.135 0.318 128 1HB GLU 14 HB2 GLU 14 10.269 16.275 -1.755 129 2HB GLU 14 HB1 GLU 14 9.037 17.271 -0.988 130 1HG GLU 14 HG2 GLU 14 11.214 18.415 -1.427 131 2HG GLU 14 HG1 GLU 14 10.664 18.478 0.246 132 H ASN 15 HN ASN 15 7.823 15.547 1.874 133 HA ASN 15 HA ASN 15 9.079 17.302 3.873 134 1HB ASN 15 HB2 ASN 15 7.344 18.520 2.577 135 2HB ASN 15 HB1 ASN 15 6.151 17.345 3.121 136 1HD2 ASN 15 1HD2 ASN 15 8.493 19.716 4.275 137 2HD2 ASN 15 2HD2 ASN 15 7.625 20.142 5.706 138 H ASN 16 HN ASN 16 9.175 14.511 3.968 139 HA ASN 16 HA ASN 16 8.752 12.715 5.287 140 1HB ASN 16 HB2 ASN 16 8.708 13.117 7.621 141 2HB ASN 16 HB1 ASN 16 9.632 14.440 6.922 142 1HD2 ASN 16 1HD2 ASN 16 6.544 13.518 8.289 143 2HD2 ASN 16 2HD2 ASN 16 6.050 15.112 8.735 144 H GLU 17 HN GLU 17 6.431 13.946 3.782 145 HA GLU 17 HA GLU 17 4.274 12.691 5.350 146 1HB GLU 17 HB2 GLU 17 3.295 14.353 3.187 147 2HB GLU 17 HB1 GLU 17 2.898 14.401 4.896 148 1HG GLU 17 HG2 GLU 17 4.664 15.893 5.364 149 2HG GLU 17 HG1 GLU 17 5.381 15.654 3.771 150 H ILE 18 HN ILE 18 2.616 11.576 4.033 151 HA ILE 18 HA ILE 18 3.785 10.500 1.558 152 HB ILE 18 HB ILE 18 3.990 8.716 3.010 153 1HG1 ILE 18 2HG1 ILE 18 2.419 8.317 0.927 154 2HG1 ILE 18 1HG1 ILE 18 2.676 7.047 2.108 155 1HG2 ILE 18 1HG2 ILE 18 1.272 9.295 4.166 156 2HG2 ILE 18 2HG2 ILE 18 2.811 9.776 4.880 157 3HG2 ILE 18 3HG2 ILE 18 2.414 8.066 4.710 158 1HD1 ILE 18 1HD1 ILE 18 0.290 8.858 1.893 159 2HD1 ILE 18 2HD1 ILE 18 0.555 7.713 3.202 160 3HD1 ILE 18 3HD1 ILE 18 0.360 7.133 1.549 161 H PHE 19 HN PHE 19 2.406 9.921 -0.113 162 HA PHE 19 HA PHE 19 -0.106 11.381 -0.145 163 1HB PHE 19 HB2 PHE 19 0.525 11.794 -2.256 164 2HB PHE 19 HB1 PHE 19 1.901 10.717 -2.078 165 HD1 PHE 19 HD1 PHE 19 1.900 8.539 -3.037 166 HD2 PHE 19 HD2 PHE 19 -1.590 10.968 -3.201 167 HE1 PHE 19 HE1 PHE 19 0.922 7.013 -4.701 168 HE2 PHE 19 HE2 PHE 19 -2.576 9.444 -4.865 169 HZ PHE 19 HZ PHE 19 -1.319 7.464 -5.616 170 H ILE 20 HN ILE 20 -1.683 10.265 0.869 171 HA ILE 20 HA ILE 20 -2.041 7.432 0.188 172 HB ILE 20 HB ILE 20 -3.788 7.915 2.234 173 1HG1 ILE 20 2HG1 ILE 20 -1.264 9.405 2.952 174 2HG1 ILE 20 1HG1 ILE 20 -2.778 10.192 2.521 175 1HG2 ILE 20 1HG2 ILE 20 -2.706 6.146 3.018 176 2HG2 ILE 20 2HG2 ILE 20 -1.279 7.122 3.356 177 3HG2 ILE 20 3HG2 ILE 20 -1.482 6.381 1.770 178 1HD1 ILE 20 1HD1 ILE 20 -2.031 8.730 4.984 179 2HD1 ILE 20 2HD1 ILE 20 -3.710 8.654 4.450 180 3HD1 ILE 20 3HD1 ILE 20 -2.960 10.215 4.781 181 H THR 21 HN THR 21 -3.925 6.747 -0.741 182 HA THR 21 HA THR 21 -5.717 8.837 -1.707 183 HB THR 21 HB THR 21 -6.394 7.358 -3.384 184 HG1 THR 21 HG1 THR 21 -6.038 5.097 -3.227 185 1HG2 THR 21 1HG2 THR 21 -3.975 7.921 -3.584 186 2HG2 THR 21 2HG2 THR 21 -4.459 6.431 -4.393 187 3HG2 THR 21 3HG2 THR 21 -3.612 6.360 -2.848 188 H ARG 22 HN ARG 22 -7.904 8.909 -1.311 189 HA ARG 22 HA ARG 22 -8.829 7.227 0.917 190 1HB ARG 22 HB2 ARG 22 -8.773 9.914 0.836 191 2HB ARG 22 HB1 ARG 22 -10.361 9.642 0.131 192 1HG ARG 22 HG2 ARG 22 -11.215 8.733 2.065 193 2HG ARG 22 HG1 ARG 22 -9.626 8.260 2.669 194 1HD ARG 22 HD2 ARG 22 -9.226 10.284 3.589 195 2HD ARG 22 HD1 ARG 22 -10.042 11.152 2.290 196 HE ARG 22 HE ARG 22 -12.036 9.878 3.685 197 1HH1 ARG 22 1HH1 ARG 22 -9.545 12.204 4.434 198 2HH1 ARG 22 2HH1 ARG 22 -10.458 12.964 5.693 199 1HH2 ARG 22 1HH2 ARG 22 -13.239 10.877 5.341 200 2HH2 ARG 22 2HH2 ARG 22 -12.556 12.211 6.208 201 H ARG 23 HN ARG 23 -9.392 5.484 -0.470 202 HA ARG 23 HA ARG 23 -10.658 4.308 -1.981 203 1HB ARG 23 HB2 ARG 23 -12.099 4.433 -0.004 204 2HB ARG 23 HB1 ARG 23 -12.809 5.923 -0.604 205 1HG ARG 23 HG2 ARG 23 -14.396 4.480 -1.318 206 2HG ARG 23 HG1 ARG 23 -13.309 4.366 -2.704 207 1HD ARG 23 HD2 ARG 23 -13.433 2.485 -0.351 208 2HD ARG 23 HD1 ARG 23 -13.984 2.152 -1.993 209 HE ARG 23 HE ARG 23 -11.282 2.067 -1.017 210 1HH1 ARG 23 1HH1 ARG 23 -13.290 2.465 -3.843 211 2HH1 ARG 23 2HH1 ARG 23 -12.056 1.954 -4.946 212 1HH2 ARG 23 1HH2 ARG 23 -9.658 1.395 -2.466 213 2HH2 ARG 23 2HH2 ARG 23 -9.995 1.346 -4.164 214 H ALA 24 HN ALA 24 -9.549 5.955 -3.574 215 HA ALA 24 HA ALA 24 -9.722 7.012 -5.582 216 1HB ALA 24 HB1 ALA 24 -12.284 5.616 -5.275 217 2HB ALA 24 HB2 ALA 24 -11.169 5.657 -6.641 218 3HB ALA 24 HB3 ALA 24 -12.317 6.974 -6.402 219 H ALA 25 HN ALA 25 -9.902 8.536 -3.192 220 HA ALA 25 HA ALA 25 -10.309 10.666 -2.506 221 1HB ALA 25 HB1 ALA 25 -9.563 11.732 -4.357 222 2HB ALA 25 HB2 ALA 25 -11.266 12.163 -4.510 223 3HB ALA 25 HB3 ALA 25 -10.610 10.816 -5.442 224 H ASP 26 HN ASP 26 -12.097 9.342 -1.398 225 HA ASP 26 HA ASP 26 -14.271 9.042 -0.747 226 1HB ASP 26 HB2 ASP 26 -15.465 11.164 -0.343 227 2HB ASP 26 HB1 ASP 26 -13.783 11.242 0.174 228 H ALA 27 HN ALA 27 -14.866 7.716 -2.557 229 HA ALA 27 HA ALA 27 -16.545 9.085 -4.551 230 1HB ALA 27 HB1 ALA 27 -14.811 6.686 -4.665 231 2HB ALA 27 HB2 ALA 27 -15.106 7.934 -5.877 232 3HB ALA 27 HB3 ALA 27 -16.294 6.657 -5.619 233 H HIS 28 HN HIS 28 -16.453 6.532 -2.149 234 HA HIS 28 HA HIS 28 -19.311 6.584 -1.900 235 1HB HIS 28 HB2 HIS 28 -19.466 4.042 -2.252 236 2HB HIS 28 HB1 HIS 28 -19.378 5.058 -3.688 237 HD1 HIS 28 HD1 HIS 28 -17.300 4.842 -5.165 238 HD2 HIS 28 HD2 HIS 28 -17.173 2.469 -1.757 239 HE1 HIS 28 HE1 HIS 28 -15.362 3.276 -5.508 240 HE2 HIS 28 HE2 HIS 28 -15.358 1.793 -3.470 241 H MET 29 HN MET 29 -16.359 4.759 -1.150 242 HA MET 29 HA MET 29 -17.292 4.572 1.640 243 1HB MET 29 HB2 MET 29 -15.781 2.624 -0.071 244 2HB MET 29 HB1 MET 29 -15.600 2.586 1.678 245 1HG MET 29 HG2 MET 29 -18.278 2.617 1.494 246 2HG MET 29 HG1 MET 29 -17.876 1.796 -0.013 247 1HE MET 29 HE1 MET 29 -18.214 -1.590 1.236 248 2HE MET 29 HE2 MET 29 -18.580 -0.315 0.073 249 3HE MET 29 HE3 MET 29 -19.461 -0.395 1.600 250 H ALA 30 HN ALA 30 -16.324 6.572 2.165 251 HA ALA 30 HA ALA 30 -13.585 7.141 1.680 252 1HB ALA 30 HB1 ALA 30 -14.012 9.149 2.608 253 2HB ALA 30 HB2 ALA 30 -14.881 8.456 3.976 254 3HB ALA 30 HB3 ALA 30 -15.690 8.641 2.419 255 H ASN 31 HN ASN 31 -15.018 4.967 3.807 256 HA ASN 31 HA ASN 31 -13.060 5.254 5.921 257 1HB ASN 31 HB2 ASN 31 -15.624 3.960 5.593 258 2HB ASN 31 HB1 ASN 31 -14.449 2.842 6.277 259 1HD2 ASN 31 1HD2 ASN 31 -14.388 2.831 8.393 260 2HD2 ASN 31 2HD2 ASN 31 -14.750 4.160 9.436 261 H LYS 32 HN LYS 32 -12.600 4.225 2.961 262 HA LYS 32 HA LYS 32 -11.046 1.864 3.756 263 1HB LYS 32 HB2 LYS 32 -12.824 2.320 1.523 264 2HB LYS 32 HB1 LYS 32 -11.224 1.852 0.968 265 1HG LYS 32 HG2 LYS 32 -11.344 -0.109 2.502 266 2HG LYS 32 HG1 LYS 32 -13.021 0.328 2.837 267 1HD LYS 32 HD2 LYS 32 -12.242 0.106 -0.010 268 2HD LYS 32 HD1 LYS 32 -12.318 -1.397 0.914 269 1HE LYS 32 HE2 LYS 32 -14.583 0.480 1.229 270 2HE LYS 32 HE1 LYS 32 -14.437 -0.328 -0.331 271 1HZ LYS 32 HZ1 LYS 32 -14.618 -1.645 2.324 272 2HZ LYS 32 HZ2 LYS 32 -14.370 -2.459 0.862 273 3HZ LYS 32 HZ3 LYS 32 -15.816 -1.621 1.127 274 H LEU 33 HN LEU 33 -10.275 4.683 3.884 275 HA LEU 33 HA LEU 33 -8.616 5.602 1.918 276 1HB LEU 33 HB2 LEU 33 -9.166 6.601 4.222 277 2HB LEU 33 HB1 LEU 33 -7.792 5.685 4.804 278 HG LEU 33 HG LEU 33 -7.637 7.744 2.606 279 1HD1 LEU 33 1HD1 LEU 33 -6.514 9.134 4.343 280 2HD1 LEU 33 2HD1 LEU 33 -7.054 7.968 5.552 281 3HD1 LEU 33 3HD1 LEU 33 -8.238 8.882 4.618 282 1HD2 LEU 33 1HD2 LEU 33 -5.727 6.607 2.236 283 2HD2 LEU 33 2HD2 LEU 33 -5.739 5.858 3.833 284 3HD2 LEU 33 3HD2 LEU 33 -5.152 7.510 3.637 285 H GLU 34 HN GLU 34 -7.159 4.488 0.784 286 HA GLU 34 HA GLU 34 -5.060 3.068 2.235 287 1HB GLU 34 HB2 GLU 34 -7.066 1.594 1.241 288 2HB GLU 34 HB1 GLU 34 -6.073 1.712 -0.204 289 1HG GLU 34 HG2 GLU 34 -4.318 0.546 0.748 290 2HG GLU 34 HG1 GLU 34 -4.855 0.883 2.394 291 H PHE 35 HN PHE 35 -3.361 2.271 0.539 292 HA PHE 35 HA PHE 35 -2.939 4.465 -1.378 293 1HB PHE 35 HB2 PHE 35 -0.418 3.415 -0.777 294 2HB PHE 35 HB1 PHE 35 -1.078 4.954 -0.243 295 HD1 PHE 35 HD1 PHE 35 -2.788 4.597 1.860 296 HD2 PHE 35 HD2 PHE 35 0.533 2.137 0.851 297 HE1 PHE 35 HE1 PHE 35 -2.637 3.848 4.199 298 HE2 PHE 35 HE2 PHE 35 0.688 1.380 3.186 299 HZ PHE 35 HZ PHE 35 -0.899 2.235 4.864 300 HA PRO 36 HA PRO 36 -2.149 1.942 -4.900 301 1HB PRO 36 HB2 PRO 36 0.648 2.210 -5.196 302 2HB PRO 36 HB1 PRO 36 -0.598 3.188 -5.973 303 1HG PRO 36 HG2 PRO 36 1.008 3.753 -3.535 304 2HG PRO 36 HG1 PRO 36 0.393 4.872 -4.764 305 1HD PRO 36 HD2 PRO 36 -0.746 4.720 -2.360 306 2HD PRO 36 HD1 PRO 36 -1.734 4.932 -3.820 307 H GLY 37 HN GLY 37 -0.916 -0.003 -5.688 308 1HA GLY 37 HA2 GLY 37 0.507 -1.873 -5.176 309 2HA GLY 37 HA1 GLY 37 0.269 -1.519 -3.485 310 H GLY 38 HN GLY 38 -1.724 -2.158 -6.257 311 1HA GLY 38 HA2 GLY 38 -3.120 -4.300 -4.810 312 2HA GLY 38 HA1 GLY 38 -4.029 -3.064 -5.678 313 H LYS 39 HN LYS 39 -3.021 -6.159 -5.910 314 HA LYS 39 HA LYS 39 -3.649 -7.416 -7.855 315 1HB LYS 39 HB2 LYS 39 -3.924 -5.391 -9.278 316 2HB LYS 39 HB1 LYS 39 -2.174 -5.310 -9.440 317 1HG LYS 39 HG2 LYS 39 -2.245 -6.713 -11.143 318 2HG LYS 39 HG1 LYS 39 -3.007 -7.937 -10.127 319 1HD LYS 39 HD2 LYS 39 -4.782 -5.780 -11.065 320 2HD LYS 39 HD1 LYS 39 -4.160 -6.854 -12.321 321 1HE LYS 39 HE2 LYS 39 -6.060 -7.980 -11.704 322 2HE LYS 39 HE1 LYS 39 -4.877 -8.728 -10.632 323 1HZ LYS 39 HZ1 LYS 39 -6.203 -6.351 -9.613 324 2HZ LYS 39 HZ2 LYS 39 -5.791 -7.787 -8.819 325 3HZ LYS 39 HZ3 LYS 39 -7.178 -7.723 -9.785 326 H ILE 40 HN ILE 40 -0.859 -6.316 -6.423 327 HA ILE 40 HA ILE 40 1.310 -7.314 -7.669 328 HB ILE 40 HB ILE 40 1.997 -6.527 -5.672 329 1HG1 ILE 40 2HG1 ILE 40 1.547 -9.364 -4.738 330 2HG1 ILE 40 1HG1 ILE 40 2.784 -8.933 -5.912 331 1HG2 ILE 40 1HG2 ILE 40 -0.614 -7.537 -4.724 332 2HG2 ILE 40 2HG2 ILE 40 0.148 -5.964 -4.506 333 3HG2 ILE 40 3HG2 ILE 40 0.658 -7.337 -3.521 334 1HD1 ILE 40 1HD1 ILE 40 3.329 -7.191 -3.928 335 2HD1 ILE 40 2HD1 ILE 40 4.088 -8.766 -4.109 336 3HD1 ILE 40 3HD1 ILE 40 2.722 -8.567 -3.013 337 H GLU 41 HN GLU 41 -0.695 -9.212 -5.549 338 HA GLU 41 HA GLU 41 0.155 -11.639 -5.385 339 1HB GLU 41 HB2 GLU 41 -2.213 -12.482 -6.099 340 2HB GLU 41 HB1 GLU 41 -2.026 -11.450 -4.694 341 1HG GLU 41 HG2 GLU 41 -3.381 -9.939 -5.560 342 2HG GLU 41 HG1 GLU 41 -2.400 -9.811 -7.011 343 H MET 42 HN MET 42 -1.892 -11.336 -8.259 344 HA MET 42 HA MET 42 -1.833 -12.527 -10.219 345 1HB MET 42 HB2 MET 42 0.700 -10.983 -9.997 346 2HB MET 42 HB1 MET 42 0.561 -12.125 -11.328 347 1HG MET 42 HG2 MET 42 -1.347 -9.876 -10.733 348 2HG MET 42 HG1 MET 42 -0.104 -9.877 -11.983 349 1HE MET 42 HE1 MET 42 -3.200 -9.975 -14.142 350 2HE MET 42 HE2 MET 42 -2.252 -8.949 -13.065 351 3HE MET 42 HE3 MET 42 -3.742 -9.693 -12.488 352 H GLY 43 HN GLY 43 1.612 -13.072 -9.918 353 1HA GLY 43 HA2 GLY 43 1.386 -15.724 -8.846 354 2HA GLY 43 HA1 GLY 43 1.582 -15.722 -10.586 355 H GLU 44 HN GLU 44 3.088 -13.170 -8.892 356 HA GLU 44 HA GLU 44 5.695 -14.145 -9.663 357 1HB GLU 44 HB2 GLU 44 4.506 -11.587 -8.936 358 2HB GLU 44 HB1 GLU 44 6.079 -11.820 -8.189 359 1HG GLU 44 HG2 GLU 44 6.766 -10.892 -10.127 360 2HG GLU 44 HG1 GLU 44 6.704 -12.572 -10.659 361 H THR 45 HN THR 45 7.335 -13.113 -7.640 362 HA THR 45 HA THR 45 6.754 -15.009 -5.469 363 HB THR 45 HB THR 45 9.439 -13.926 -5.427 364 HG1 THR 45 HG1 THR 45 8.595 -15.139 -7.846 365 1HG2 THR 45 1HG2 THR 45 8.141 -16.546 -5.369 366 2HG2 THR 45 2HG2 THR 45 9.528 -15.937 -4.467 367 3HG2 THR 45 3HG2 THR 45 9.737 -16.523 -6.118 368 HA PRO 46 HA PRO 46 6.131 -12.020 -2.295 369 1HB PRO 46 HB2 PRO 46 8.410 -12.613 -0.696 370 2HB PRO 46 HB1 PRO 46 6.763 -13.204 -0.480 371 1HG PRO 46 HG2 PRO 46 9.081 -14.512 -1.790 372 2HG PRO 46 HG1 PRO 46 7.722 -15.239 -0.913 373 1HD PRO 46 HD2 PRO 46 7.867 -15.378 -3.571 374 2HD PRO 46 HD1 PRO 46 6.309 -15.120 -2.762 375 H GLU 47 HN GLU 47 9.263 -12.283 -3.829 376 HA GLU 47 HA GLU 47 10.076 -9.643 -2.939 377 1HB GLU 47 HB2 GLU 47 11.390 -11.865 -4.450 378 2HB GLU 47 HB1 GLU 47 12.055 -10.240 -4.550 379 1HG GLU 47 HG2 GLU 47 11.544 -11.657 -1.951 380 2HG GLU 47 HG1 GLU 47 13.078 -11.735 -2.818 381 H GLN 48 HN GLN 48 9.753 -11.222 -6.157 382 HA GLN 48 HA GLN 48 9.711 -8.643 -7.449 383 1HB GLN 48 HB2 GLN 48 9.508 -9.921 -9.530 384 2HB GLN 48 HB1 GLN 48 10.824 -10.517 -8.529 385 1HG GLN 48 HG2 GLN 48 9.364 -12.341 -7.748 386 2HG GLN 48 HG1 GLN 48 8.103 -11.761 -8.835 387 1HE2 GLN 48 1HE2 GLN 48 8.196 -13.879 -9.780 388 2HE2 GLN 48 2HE2 GLN 48 9.413 -14.249 -10.948 389 H ALA 49 HN ALA 49 7.362 -10.359 -5.861 390 HA ALA 49 HA ALA 49 5.160 -10.155 -7.593 391 1HB ALA 49 HB1 ALA 49 3.802 -10.393 -5.530 392 2HB ALA 49 HB2 ALA 49 5.280 -10.235 -4.584 393 3HB ALA 49 HB3 ALA 49 5.074 -11.600 -5.679 394 H VAL 50 HN VAL 50 6.067 -8.045 -4.855 395 HA VAL 50 HA VAL 50 4.159 -6.047 -5.680 396 HB VAL 50 HB VAL 50 4.359 -5.887 -3.401 397 1HG1 VAL 50 1HG1 VAL 50 6.811 -5.789 -2.392 398 2HG1 VAL 50 2HG1 VAL 50 7.160 -6.740 -3.835 399 3HG1 VAL 50 3HG1 VAL 50 5.964 -7.310 -2.670 400 1HG2 VAL 50 1HG2 VAL 50 6.554 -3.983 -4.181 401 2HG2 VAL 50 2HG2 VAL 50 5.419 -3.832 -2.838 402 3HG2 VAL 50 3HG2 VAL 50 4.845 -3.688 -4.501 403 H VAL 51 HN VAL 51 7.678 -6.388 -5.787 404 HA VAL 51 HA VAL 51 8.414 -3.868 -6.592 405 HB VAL 51 HB VAL 51 9.594 -6.451 -7.631 406 1HG1 VAL 51 1HG1 VAL 51 10.768 -5.023 -8.911 407 2HG1 VAL 51 2HG1 VAL 51 11.649 -4.684 -7.421 408 3HG1 VAL 51 3HG1 VAL 51 10.332 -3.626 -7.928 409 1HG2 VAL 51 1HG2 VAL 51 10.771 -6.691 -5.707 410 2HG2 VAL 51 2HG2 VAL 51 9.375 -5.849 -5.035 411 3HG2 VAL 51 3HG2 VAL 51 10.848 -4.955 -5.407 412 H ARG 52 HN ARG 52 6.970 -6.420 -8.529 413 HA ARG 52 HA ARG 52 7.360 -5.010 -10.996 414 1HB ARG 52 HB2 ARG 52 6.400 -7.613 -10.189 415 2HB ARG 52 HB1 ARG 52 5.327 -6.903 -11.386 416 1HG ARG 52 HG2 ARG 52 6.841 -8.063 -12.681 417 2HG ARG 52 HG1 ARG 52 7.494 -6.424 -12.705 418 1HD ARG 52 HD2 ARG 52 9.344 -7.016 -11.578 419 2HD ARG 52 HD1 ARG 52 8.456 -8.074 -10.484 420 HE ARG 52 HE ARG 52 9.145 -9.819 -11.764 421 1HH1 ARG 52 1HH1 ARG 52 9.103 -6.966 -13.775 422 2HH1 ARG 52 2HH1 ARG 52 9.715 -7.790 -15.171 423 1HH2 ARG 52 1HH2 ARG 52 9.950 -10.902 -13.598 424 2HH2 ARG 52 2HH2 ARG 52 10.196 -10.023 -15.070 425 H GLU 53 HN GLU 53 4.493 -5.738 -9.006 426 HA GLU 53 HA GLU 53 2.757 -4.132 -10.585 427 1HB GLU 53 HB2 GLU 53 2.571 -5.685 -8.091 428 2HB GLU 53 HB1 GLU 53 1.486 -4.302 -8.178 429 1HG GLU 53 HG2 GLU 53 1.662 -6.586 -10.129 430 2HG GLU 53 HG1 GLU 53 0.360 -6.259 -8.987 431 H LEU 54 HN LEU 54 5.023 -3.423 -8.119 432 HA LEU 54 HA LEU 54 3.930 -1.134 -6.953 433 1HB LEU 54 HB2 LEU 54 5.984 -2.354 -6.206 434 2HB LEU 54 HB1 LEU 54 6.846 -1.634 -7.553 435 HG LEU 54 HG LEU 54 6.094 0.618 -6.525 436 1HD1 LEU 54 1HD1 LEU 54 5.160 0.669 -4.498 437 2HD1 LEU 54 2HD1 LEU 54 6.229 -0.589 -3.876 438 3HD1 LEU 54 3HD1 LEU 54 4.777 -1.030 -4.776 439 1HD2 LEU 54 1HD2 LEU 54 8.295 -1.195 -5.828 440 2HD2 LEU 54 2HD2 LEU 54 8.027 0.129 -4.694 441 3HD2 LEU 54 3HD2 LEU 54 8.331 0.473 -6.397 442 H GLN 55 HN GLN 55 5.817 -1.547 -9.906 443 HA GLN 55 HA GLN 55 5.992 1.229 -10.511 444 1HB GLN 55 HB2 GLN 55 7.159 -1.074 -11.487 445 2HB GLN 55 HB1 GLN 55 6.095 -0.594 -12.803 446 1HG GLN 55 HG2 GLN 55 7.449 1.051 -13.411 447 2HG GLN 55 HG1 GLN 55 7.555 1.667 -11.763 448 1HE2 GLN 55 1HE2 GLN 55 9.776 2.133 -12.457 449 2HE2 GLN 55 2HE2 GLN 55 10.968 0.893 -12.293 450 H GLU 56 HN GLU 56 3.622 -1.245 -11.029 451 HA GLU 56 HA GLU 56 2.183 0.042 -13.124 452 1HB GLU 56 HB2 GLU 56 2.139 -2.442 -12.241 453 2HB GLU 56 HB1 GLU 56 0.856 -1.831 -11.215 454 1HG GLU 56 HG2 GLU 56 0.712 -1.235 -14.116 455 2HG GLU 56 HG1 GLU 56 0.376 -2.883 -13.587 456 H GLU 57 HN GLU 57 2.233 0.355 -9.667 457 HA GLU 57 HA GLU 57 -0.186 1.999 -9.803 458 1HB GLU 57 HB2 GLU 57 0.785 0.097 -7.851 459 2HB GLU 57 HB1 GLU 57 0.391 1.645 -7.110 460 1HG GLU 57 HG2 GLU 57 -1.710 0.925 -7.061 461 2HG GLU 57 HG1 GLU 57 -1.730 1.219 -8.797 462 H VAL 58 HN VAL 58 2.926 2.537 -10.118 463 HA VAL 58 HA VAL 58 2.802 5.119 -8.723 464 HB VAL 58 HB VAL 58 5.358 3.526 -8.915 465 1HG1 VAL 58 1HG1 VAL 58 4.647 6.188 -8.059 466 2HG1 VAL 58 2HG1 VAL 58 6.241 5.477 -8.318 467 3HG1 VAL 58 3HG1 VAL 58 5.433 5.290 -6.762 468 1HG2 VAL 58 1HG2 VAL 58 3.884 3.816 -6.338 469 2HG2 VAL 58 2HG2 VAL 58 5.067 2.605 -6.828 470 3HG2 VAL 58 3HG2 VAL 58 3.421 2.533 -7.454 471 H GLY 59 HN GLY 59 4.360 3.137 -11.192 472 1HA GLY 59 HA2 GLY 59 5.240 3.625 -13.239 473 2HA GLY 59 HA1 GLY 59 3.974 4.829 -13.310 474 H ILE 60 HN ILE 60 6.119 5.516 -10.758 475 HA ILE 60 HA ILE 60 7.576 7.363 -12.518 476 HB ILE 60 HB ILE 60 7.890 8.319 -9.923 477 1HG1 ILE 60 2HG1 ILE 60 4.951 8.320 -10.241 478 2HG1 ILE 60 1HG1 ILE 60 5.673 6.830 -9.648 479 1HG2 ILE 60 1HG2 ILE 60 6.248 9.230 -12.258 480 2HG2 ILE 60 2HG2 ILE 60 7.840 9.789 -11.745 481 3HG2 ILE 60 3HG2 ILE 60 6.414 10.194 -10.789 482 1HD1 ILE 60 1HD1 ILE 60 6.912 8.380 -7.989 483 2HD1 ILE 60 2HD1 ILE 60 5.222 7.967 -7.700 484 3HD1 ILE 60 3HD1 ILE 60 5.641 9.531 -8.397 485 H THR 61 HN THR 61 9.594 8.187 -10.980 486 HA THR 61 HA THR 61 11.041 5.719 -10.336 487 HB THR 61 HB THR 61 12.993 7.396 -10.805 488 HG1 THR 61 HG1 THR 61 10.955 8.538 -12.381 489 1HG2 THR 61 1HG2 THR 61 12.494 5.428 -12.211 490 2HG2 THR 61 2HG2 THR 61 13.053 6.818 -13.144 491 3HG2 THR 61 3HG2 THR 61 11.334 6.411 -13.108 492 HA PRO 62 HA PRO 62 11.224 8.100 -6.444 493 1HB PRO 62 HB2 PRO 62 9.449 6.793 -5.048 494 2HB PRO 62 HB1 PRO 62 8.899 7.642 -6.500 495 1HG PRO 62 HG2 PRO 62 9.313 4.724 -6.069 496 2HG PRO 62 HG1 PRO 62 8.126 5.551 -7.093 497 1HD PRO 62 HD2 PRO 62 10.731 4.525 -7.837 498 2HD PRO 62 HD1 PRO 62 9.510 5.297 -8.865 499 H GLN 63 HN GLN 63 12.518 7.736 -4.633 500 HA GLN 63 HA GLN 63 13.859 5.185 -4.415 501 1HB GLN 63 HB2 GLN 63 13.910 7.705 -2.730 502 2HB GLN 63 HB1 GLN 63 14.794 6.252 -2.282 503 1HG GLN 63 HG2 GLN 63 16.066 6.369 -4.350 504 2HG GLN 63 HG1 GLN 63 15.164 7.804 -4.831 505 1HE2 GLN 63 1HE2 GLN 63 16.338 9.559 -4.617 506 2HE2 GLN 63 2HE2 GLN 63 17.451 9.898 -3.340 507 H HIS 64 HN HIS 64 11.945 3.986 -4.268 508 HA HIS 64 HA HIS 64 10.585 4.094 -1.661 509 1HB HIS 64 HB2 HIS 64 9.030 4.785 -3.302 510 2HB HIS 64 HB1 HIS 64 9.622 3.626 -4.449 511 HD1 HIS 64 HD1 HIS 64 6.605 4.101 -3.431 512 HD2 HIS 64 HD2 HIS 64 9.102 0.916 -2.482 513 HE1 HIS 64 HE1 HIS 64 5.078 2.200 -2.823 514 HE2 HIS 64 HE2 HIS 64 6.614 0.324 -2.147 515 H PHE 65 HN PHE 65 10.515 2.297 -0.480 516 HA PHE 65 HA PHE 65 10.456 -0.327 -1.392 517 1HB PHE 65 HB2 PHE 65 12.872 0.624 -1.990 518 2HB PHE 65 HB1 PHE 65 13.176 0.214 -0.316 519 HD1 PHE 65 HD1 PHE 65 11.146 -2.217 -0.482 520 HD2 PHE 65 HD2 PHE 65 14.521 -0.977 -2.761 521 HE1 PHE 65 HE1 PHE 65 11.545 -4.549 -1.155 522 HE2 PHE 65 HE2 PHE 65 14.925 -3.307 -3.437 523 HZ PHE 65 HZ PHE 65 13.436 -5.097 -2.635 524 H SER 66 HN SER 66 12.471 -1.050 0.836 525 HA SER 66 HA SER 66 12.409 -1.660 3.002 526 1HB SER 66 HB2 SER 66 11.766 1.178 2.910 527 2HB SER 66 HB1 SER 66 11.116 0.389 4.346 528 HG SER 66 HG SER 66 13.805 0.487 3.471 529 H LEU 67 HN LEU 67 11.124 -2.460 4.710 530 HA LEU 67 HA LEU 67 8.283 -2.763 4.003 531 1HB LEU 67 HB2 LEU 67 9.433 -4.863 3.739 532 2HB LEU 67 HB1 LEU 67 10.168 -4.712 5.324 533 HG LEU 67 HG LEU 67 7.217 -4.699 5.302 534 1HD1 LEU 67 1HD1 LEU 67 8.372 -7.401 5.108 535 2HD1 LEU 67 2HD1 LEU 67 8.282 -6.491 3.600 536 3HD1 LEU 67 3HD1 LEU 67 6.820 -6.782 4.543 537 1HD2 LEU 67 1HD2 LEU 67 8.696 -6.614 6.945 538 2HD2 LEU 67 2HD2 LEU 67 7.496 -5.406 7.408 539 3HD2 LEU 67 3HD2 LEU 67 9.180 -4.935 7.187 540 H PHE 68 HN PHE 68 7.086 -1.552 5.327 541 HA PHE 68 HA PHE 68 8.010 -0.789 7.930 542 1HB PHE 68 HB2 PHE 68 6.636 0.920 7.505 543 2HB PHE 68 HB1 PHE 68 6.017 0.096 6.081 544 HD1 PHE 68 HD1 PHE 68 3.827 -0.648 6.012 545 HD2 PHE 68 HD2 PHE 68 5.551 0.388 9.755 546 HE1 PHE 68 HE1 PHE 68 1.616 -0.845 7.075 547 HE2 PHE 68 HE2 PHE 68 3.347 0.192 10.831 548 HZ PHE 68 HZ PHE 68 1.373 -0.420 9.489 549 H GLU 69 HN GLU 69 5.249 -2.701 6.752 550 HA GLU 69 HA GLU 69 5.522 -4.689 8.742 551 1HB GLU 69 HB2 GLU 69 3.685 -2.421 9.298 552 2HB GLU 69 HB1 GLU 69 3.091 -4.035 9.662 553 1HG GLU 69 HG2 GLU 69 5.526 -4.156 10.801 554 2HG GLU 69 HG1 GLU 69 5.173 -2.439 10.985 555 H LYS 70 HN LYS 70 4.550 -6.503 8.017 556 HA LYS 70 HA LYS 70 2.368 -6.196 6.060 557 1HB LYS 70 HB2 LYS 70 3.294 -8.006 4.726 558 2HB LYS 70 HB1 LYS 70 4.475 -6.714 4.891 559 1HG LYS 70 HG2 LYS 70 5.897 -8.353 5.409 560 2HG LYS 70 HG1 LYS 70 5.123 -8.315 6.994 561 1HD LYS 70 HD2 LYS 70 3.679 -10.121 6.419 562 2HD LYS 70 HD1 LYS 70 4.163 -10.047 4.724 563 1HE LYS 70 HE2 LYS 70 5.996 -10.744 7.015 564 2HE LYS 70 HE1 LYS 70 5.209 -11.920 5.963 565 1HZ LYS 70 HZ1 LYS 70 6.349 -10.623 4.088 566 2HZ LYS 70 HZ2 LYS 70 7.296 -11.660 5.029 567 3HZ LYS 70 HZ3 LYS 70 7.343 -9.992 5.304 568 H LEU 71 HN LEU 71 0.601 -7.340 6.559 569 HA LEU 71 HA LEU 71 0.883 -9.535 8.502 570 1HB LEU 71 HB2 LEU 71 -1.029 -8.899 9.571 571 2HB LEU 71 HB1 LEU 71 -0.463 -7.335 9.020 572 HG LEU 71 HG LEU 71 -2.558 -8.983 7.598 573 1HD1 LEU 71 1HD1 LEU 71 -4.217 -7.774 8.644 574 2HD1 LEU 71 2HD1 LEU 71 -3.124 -6.469 9.105 575 3HD1 LEU 71 3HD1 LEU 71 -3.063 -8.012 9.957 576 1HD2 LEU 71 1HD2 LEU 71 -1.990 -7.610 5.919 577 2HD2 LEU 71 2HD2 LEU 71 -1.124 -6.504 6.982 578 3HD2 LEU 71 3HD2 LEU 71 -2.877 -6.391 6.834 579 H GLU 72 HN GLU 72 0.042 -11.499 8.043 580 HA GLU 72 HA GLU 72 -1.390 -11.783 5.489 581 1HB GLU 72 HB2 GLU 72 0.700 -12.731 5.053 582 2HB GLU 72 HB1 GLU 72 0.848 -13.391 6.675 583 1HG GLU 72 HG2 GLU 72 -0.403 -15.232 6.194 584 2HG GLU 72 HG1 GLU 72 -1.324 -14.417 4.933 585 H TYR 73 HN TYR 73 -3.443 -12.233 5.941 586 HA TYR 73 HA TYR 73 -4.004 -14.331 7.923 587 1HB TYR 73 HB2 TYR 73 -4.536 -11.853 8.605 588 2HB TYR 73 HB1 TYR 73 -5.925 -12.061 7.543 589 HD1 TYR 73 HD1 TYR 73 -4.206 -13.830 10.353 590 HD2 TYR 73 HD2 TYR 73 -7.891 -12.830 8.476 591 HE1 TYR 73 HE1 TYR 73 -5.430 -14.932 12.180 592 HE2 TYR 73 HE2 TYR 73 -9.124 -13.928 10.298 593 HH TYR 73 HH TYR 73 -7.862 -16.056 12.352 594 H GLU 74 HN GLU 74 -5.892 -15.592 7.502 595 HA GLU 74 HA GLU 74 -6.858 -15.358 4.730 596 1HB GLU 74 HB2 GLU 74 -7.192 -17.914 4.951 597 2HB GLU 74 HB1 GLU 74 -5.579 -17.292 4.640 598 1HG GLU 74 HG2 GLU 74 -5.253 -17.390 7.171 599 2HG GLU 74 HG1 GLU 74 -6.705 -18.389 7.189 600 H PHE 75 HN PHE 75 -8.981 -15.577 4.337 601 HA PHE 75 HA PHE 75 -10.754 -15.693 6.669 602 1HB PHE 75 HB2 PHE 75 -10.703 -14.117 4.230 603 2HB PHE 75 HB1 PHE 75 -12.253 -14.917 4.442 604 HD1 PHE 75 HD1 PHE 75 -9.786 -13.137 6.606 605 HD2 PHE 75 HD2 PHE 75 -13.854 -13.639 5.464 606 HE1 PHE 75 HE1 PHE 75 -10.447 -11.393 8.211 607 HE2 PHE 75 HE2 PHE 75 -14.523 -11.895 7.066 608 HZ PHE 75 HZ PHE 75 -12.819 -10.771 8.442 609 HA PRO 76 HA PRO 76 -12.729 -19.508 5.716 610 1HB PRO 76 HB2 PRO 76 -15.357 -18.656 5.180 611 2HB PRO 76 HB1 PRO 76 -14.709 -19.138 6.748 612 1HG PRO 76 HG2 PRO 76 -15.086 -16.415 5.609 613 2HG PRO 76 HG1 PRO 76 -15.233 -16.965 7.288 614 1HD PRO 76 HD2 PRO 76 -13.103 -15.573 6.458 615 2HD PRO 76 HD1 PRO 76 -12.936 -16.883 7.643 616 H ASP 77 HN ASP 77 -11.469 -19.543 3.734 617 HA ASP 77 HA ASP 77 -11.484 -20.380 1.581 618 1HB ASP 77 HB2 ASP 77 -14.135 -20.410 1.969 619 2HB ASP 77 HB1 ASP 77 -14.047 -19.099 0.795 620 H ARG 78 HN ARG 78 -11.135 -17.446 2.697 621 HA ARG 78 HA ARG 78 -10.414 -16.356 0.075 622 1HB ARG 78 HB2 ARG 78 -12.629 -15.424 1.063 623 2HB ARG 78 HB1 ARG 78 -11.580 -14.558 2.178 624 1HG ARG 78 HG2 ARG 78 -10.729 -14.275 -0.583 625 2HG ARG 78 HG1 ARG 78 -12.378 -13.706 -0.318 626 1HD ARG 78 HD2 ARG 78 -10.005 -12.888 1.352 627 2HD ARG 78 HD1 ARG 78 -10.629 -11.957 -0.009 628 HE ARG 78 HE ARG 78 -11.716 -12.083 2.628 629 1HH1 ARG 78 1HH1 ARG 78 -12.540 -11.639 -0.734 630 2HH1 ARG 78 2HH1 ARG 78 -13.973 -10.728 -0.391 631 1HH2 ARG 78 1HH2 ARG 78 -13.601 -10.886 3.081 632 2HH2 ARG 78 2HH2 ARG 78 -14.575 -10.300 1.774 633 H HIS 79 HN HIS 79 -8.237 -16.713 0.429 634 HA HIS 79 HA HIS 79 -6.966 -15.853 2.866 635 1HB HIS 79 HB2 HIS 79 -5.591 -16.655 0.304 636 2HB HIS 79 HB1 HIS 79 -4.946 -16.714 1.940 637 HD1 HIS 79 HD1 HIS 79 -7.427 -18.471 -0.294 638 HD2 HIS 79 HD2 HIS 79 -5.458 -19.039 3.321 639 HE1 HIS 79 HE1 HIS 79 -7.909 -20.849 0.368 640 HE2 HIS 79 HE2 HIS 79 -6.636 -21.196 2.514 641 H ILE 80 HN ILE 80 -7.219 -13.638 3.054 642 HA ILE 80 HA ILE 80 -6.287 -11.949 0.878 643 HB ILE 80 HB ILE 80 -8.447 -11.414 1.939 644 1HG1 ILE 80 2HG1 ILE 80 -6.297 -9.372 2.475 645 2HG1 ILE 80 1HG1 ILE 80 -7.042 -9.672 0.910 646 1HG2 ILE 80 1HG2 ILE 80 -7.229 -10.329 4.379 647 2HG2 ILE 80 2HG2 ILE 80 -7.268 -12.090 4.289 648 3HG2 ILE 80 3HG2 ILE 80 -8.765 -11.166 4.149 649 1HD1 ILE 80 1HD1 ILE 80 -8.120 -7.775 1.745 650 2HD1 ILE 80 2HD1 ILE 80 -8.268 -8.465 3.361 651 3HD1 ILE 80 3HD1 ILE 80 -9.249 -9.098 2.039 652 H THR 81 HN THR 81 -4.179 -11.513 0.864 653 HA THR 81 HA THR 81 -2.768 -11.215 3.429 654 HB THR 81 HB THR 81 -0.913 -11.254 1.295 655 HG1 THR 81 HG1 THR 81 -2.861 -13.299 1.067 656 1HG2 THR 81 1HG2 THR 81 -0.004 -12.376 2.992 657 2HG2 THR 81 2HG2 THR 81 -0.800 -13.778 2.277 658 3HG2 THR 81 3HG2 THR 81 -1.568 -12.911 3.607 659 H LEU 82 HN LEU 82 -1.898 -9.283 3.990 660 HA LEU 82 HA LEU 82 -1.843 -7.180 1.927 661 1HB LEU 82 HB2 LEU 82 -3.494 -7.275 4.192 662 2HB LEU 82 HB1 LEU 82 -2.243 -6.112 4.580 663 HG LEU 82 HG LEU 82 -3.899 -4.786 3.654 664 1HD1 LEU 82 1HD1 LEU 82 -2.988 -3.857 1.740 665 2HD1 LEU 82 2HD1 LEU 82 -2.468 -5.419 1.108 666 3HD1 LEU 82 3HD1 LEU 82 -1.611 -4.688 2.463 667 1HD2 LEU 82 1HD2 LEU 82 -4.807 -5.652 1.272 668 2HD2 LEU 82 2HD2 LEU 82 -5.590 -6.008 2.812 669 3HD2 LEU 82 3HD2 LEU 82 -4.511 -7.194 2.076 670 H TRP 83 HN TRP 83 0.185 -6.585 1.564 671 HA TRP 83 HA TRP 83 2.097 -6.606 3.808 672 1HB TRP 83 HB2 TRP 83 2.927 -6.422 0.927 673 2HB TRP 83 HB1 TRP 83 3.850 -7.000 2.304 674 HD1 TRP 83 HD1 TRP 83 0.977 -8.942 2.887 675 HE1 TRP 83 HE1 TRP 83 1.012 -11.204 1.675 676 HE3 TRP 83 HE3 TRP 83 4.613 -7.953 -0.565 677 HZ2 TRP 83 HZ2 TRP 83 2.396 -12.416 -0.462 678 HZ3 TRP 83 HZ3 TRP 83 5.233 -9.721 -2.158 679 HH2 TRP 83 HH2 TRP 83 4.147 -11.907 -2.108 680 H PHE 84 HN PHE 84 2.805 -4.663 4.544 681 HA PHE 84 HA PHE 84 2.362 -2.336 2.801 682 1HB PHE 84 HB2 PHE 84 2.390 -2.493 5.816 683 2HB PHE 84 HB1 PHE 84 2.393 -0.982 4.924 684 HD1 PHE 84 HD1 PHE 84 0.469 -4.145 4.444 685 HD2 PHE 84 HD2 PHE 84 0.359 0.041 5.221 686 HE1 PHE 84 HE1 PHE 84 -1.981 -4.191 4.335 687 HE2 PHE 84 HE2 PHE 84 -2.097 -0.004 5.109 688 HZ PHE 84 HZ PHE 84 -3.272 -2.124 4.665 689 H TRP 85 HN TRP 85 4.144 -1.593 1.891 690 HA TRP 85 HA TRP 85 6.740 -2.043 3.149 691 1HB TRP 85 HB2 TRP 85 6.027 -1.029 0.389 692 2HB TRP 85 HB1 TRP 85 7.664 -1.337 0.961 693 HD1 TRP 85 HD1 TRP 85 4.387 -3.269 0.254 694 HE1 TRP 85 HE1 TRP 85 5.005 -5.688 -0.372 695 HE3 TRP 85 HE3 TRP 85 9.437 -3.046 1.020 696 HZ2 TRP 85 HZ2 TRP 85 7.325 -7.289 -0.520 697 HZ3 TRP 85 HZ3 TRP 85 10.783 -5.064 0.615 698 HH2 TRP 85 HH2 TRP 85 9.746 -7.142 -0.140 699 H LEU 86 HN LEU 86 8.246 -0.348 3.543 700 HA LEU 86 HA LEU 86 6.928 2.221 4.025 701 1HB LEU 86 HB2 LEU 86 7.963 1.272 5.951 702 2HB LEU 86 HB1 LEU 86 9.472 1.028 5.095 703 HG LEU 86 HG LEU 86 9.489 3.616 4.861 704 1HD1 LEU 86 1HD1 LEU 86 7.438 4.352 5.588 705 2HD1 LEU 86 2HD1 LEU 86 8.402 4.532 7.054 706 3HD1 LEU 86 3HD1 LEU 86 7.335 3.142 6.866 707 1HD2 LEU 86 1HD2 LEU 86 11.071 2.306 6.198 708 2HD2 LEU 86 2HD2 LEU 86 9.930 2.307 7.542 709 3HD2 LEU 86 3HD2 LEU 86 10.643 3.822 6.991 710 H VAL 87 HN VAL 87 7.024 3.456 2.284 711 HA VAL 87 HA VAL 87 9.300 3.598 0.516 712 HB VAL 87 HB VAL 87 6.965 5.466 0.604 713 1HG1 VAL 87 1HG1 VAL 87 7.608 5.088 -2.006 714 2HG1 VAL 87 2HG1 VAL 87 9.184 4.977 -1.229 715 3HG1 VAL 87 3HG1 VAL 87 8.194 6.414 -1.006 716 1HG2 VAL 87 1HG2 VAL 87 5.963 3.895 -1.109 717 2HG2 VAL 87 2HG2 VAL 87 5.992 3.297 0.550 718 3HG2 VAL 87 3HG2 VAL 87 7.188 2.720 -0.615 719 H GLU 88 HN GLU 88 10.705 5.355 0.240 720 HA GLU 88 HA GLU 88 10.604 7.208 2.522 721 1HB GLU 88 HB2 GLU 88 13.116 7.493 2.042 722 2HB GLU 88 HB1 GLU 88 12.570 6.012 2.815 723 1HG GLU 88 HG2 GLU 88 12.568 4.951 0.538 724 2HG GLU 88 HG1 GLU 88 13.372 6.404 -0.053 725 H ARG 89 HN ARG 89 10.799 7.157 -0.991 726 HA ARG 89 HA ARG 89 10.251 9.973 -1.030 727 1HB ARG 89 HB2 ARG 89 12.621 9.483 -2.696 728 2HB ARG 89 HB1 ARG 89 12.206 10.874 -1.710 729 1HG ARG 89 HG2 ARG 89 13.052 9.812 0.259 730 2HG ARG 89 HG1 ARG 89 13.286 8.292 -0.607 731 1HD ARG 89 HD2 ARG 89 14.877 9.527 -2.114 732 2HD ARG 89 HD1 ARG 89 14.760 10.888 -1.000 733 HE ARG 89 HE ARG 89 16.216 8.440 -0.604 734 1HH1 ARG 89 1HH1 ARG 89 14.674 11.143 0.977 735 2HH1 ARG 89 2HH1 ARG 89 15.623 11.003 2.418 736 1HH2 ARG 89 1HH2 ARG 89 17.467 8.255 1.291 737 2HH2 ARG 89 2HH2 ARG 89 17.210 9.364 2.596 738 H TRP 90 HN TRP 90 9.989 10.811 -3.274 739 HA TRP 90 HA TRP 90 9.846 8.897 -5.384 740 1HB TRP 90 HB2 TRP 90 7.589 8.576 -5.617 741 2HB TRP 90 HB1 TRP 90 7.695 8.713 -3.871 742 HD1 TRP 90 HD1 TRP 90 6.914 11.026 -6.895 743 HE1 TRP 90 HE1 TRP 90 5.083 12.677 -6.156 744 HE3 TRP 90 HE3 TRP 90 6.496 9.624 -1.997 745 HZ2 TRP 90 HZ2 TRP 90 3.642 13.294 -3.812 746 HZ3 TRP 90 HZ3 TRP 90 4.856 10.793 -0.575 747 HH2 TRP 90 HH2 TRP 90 3.465 12.592 -1.466 748 H GLU 91 HN GLU 91 10.393 9.863 -7.210 749 HA GLU 91 HA GLU 91 10.533 12.733 -7.317 750 1HB GLU 91 HB2 GLU 91 12.027 10.781 -8.429 751 2HB GLU 91 HB1 GLU 91 10.971 11.153 -9.784 752 1HG GLU 91 HG2 GLU 91 12.474 12.721 -10.274 753 2HG GLU 91 HG1 GLU 91 11.719 13.641 -8.974 754 H GLY 92 HN GLY 92 9.536 14.073 -8.908 755 1HA GLY 92 HA2 GLY 92 7.725 14.859 -10.078 756 2HA GLY 92 HA1 GLY 92 7.619 13.245 -10.764 757 H GLU 93 HN GLU 93 5.635 12.463 -10.567 758 HA GLU 93 HA GLU 93 4.285 12.725 -7.976 759 1HB GLU 93 HB2 GLU 93 3.482 14.332 -9.888 760 2HB GLU 93 HB1 GLU 93 2.677 12.891 -10.494 761 1HG GLU 93 HG2 GLU 93 1.254 12.760 -8.682 762 2HG GLU 93 HG1 GLU 93 2.314 13.719 -7.650 763 HA PRO 94 HA PRO 94 3.535 8.390 -8.561 764 1HB PRO 94 HB2 PRO 94 1.284 8.482 -6.745 765 2HB PRO 94 HB1 PRO 94 2.909 7.867 -6.443 766 1HG PRO 94 HG2 PRO 94 1.896 10.104 -5.251 767 2HG PRO 94 HG1 PRO 94 3.625 9.837 -5.534 768 1HD PRO 94 HD2 PRO 94 1.675 11.481 -7.106 769 2HD PRO 94 HD1 PRO 94 3.355 11.850 -6.653 770 H TRP 95 HN TRP 95 2.458 7.354 -10.162 771 HA TRP 95 HA TRP 95 -0.337 8.084 -10.566 772 1HB TRP 95 HB2 TRP 95 -0.033 8.158 -13.020 773 2HB TRP 95 HB1 TRP 95 0.819 9.440 -12.175 774 HD1 TRP 95 HD1 TRP 95 3.438 9.529 -12.425 775 HE1 TRP 95 HE1 TRP 95 5.110 8.325 -13.979 776 HE3 TRP 95 HE3 TRP 95 0.424 5.752 -14.071 777 HZ2 TRP 95 HZ2 TRP 95 5.119 6.084 -15.700 778 HZ3 TRP 95 HZ3 TRP 95 1.330 4.129 -15.679 779 HH2 TRP 95 HH2 TRP 95 3.635 4.285 -16.466 780 H GLY 96 HN GLY 96 2.150 5.917 -11.918 781 1HA GLY 96 HA2 GLY 96 1.954 3.745 -12.691 782 2HA GLY 96 HA1 GLY 96 1.234 3.498 -11.115 783 H LYS 97 HN LYS 97 -0.980 3.298 -10.908 784 HA LYS 97 HA LYS 97 -2.927 3.839 -12.796 785 1HB LYS 97 HB2 LYS 97 -1.321 1.610 -13.558 786 2HB LYS 97 HB1 LYS 97 -2.918 1.008 -13.139 787 1HG LYS 97 HG2 LYS 97 -2.448 3.280 -15.052 788 2HG LYS 97 HG1 LYS 97 -2.596 1.593 -15.546 789 1HD LYS 97 HD2 LYS 97 -4.733 2.615 -13.788 790 2HD LYS 97 HD1 LYS 97 -4.675 3.305 -15.412 791 1HE LYS 97 HE2 LYS 97 -5.856 1.511 -16.029 792 2HE LYS 97 HE1 LYS 97 -4.335 0.631 -15.896 793 1HZ LYS 97 HZ1 LYS 97 -5.541 -0.641 -14.509 794 2HZ LYS 97 HZ2 LYS 97 -6.664 0.577 -14.164 795 3HZ LYS 97 HZ3 LYS 97 -5.169 0.558 -13.374 796 H GLU 98 HN GLU 98 -2.486 3.697 -9.928 797 HA GLU 98 HA GLU 98 -3.950 1.542 -8.790 798 1HB GLU 98 HB2 GLU 98 -4.039 3.022 -6.770 799 2HB GLU 98 HB1 GLU 98 -2.421 2.770 -7.406 800 1HG GLU 98 HG2 GLU 98 -2.191 4.931 -8.079 801 2HG GLU 98 HG1 GLU 98 -3.920 5.149 -8.341 802 H GLY 99 HN GLY 99 -4.807 4.700 -10.048 803 1HA GLY 99 HA2 GLY 99 -6.864 5.486 -10.735 804 2HA GLY 99 HA1 GLY 99 -7.564 3.945 -10.267 805 H GLN 100 HN GLN 100 -5.726 5.995 -8.073 806 HA GLN 100 HA GLN 100 -8.211 6.892 -6.812 807 1HB GLN 100 HB2 GLN 100 -5.993 5.485 -5.314 808 2HB GLN 100 HB1 GLN 100 -7.415 6.222 -4.588 809 1HG GLN 100 HG2 GLN 100 -8.852 4.606 -5.483 810 2HG GLN 100 HG1 GLN 100 -7.636 4.039 -6.627 811 1HE2 GLN 100 1HE2 GLN 100 -8.321 4.295 -3.170 812 2HE2 GLN 100 2HE2 GLN 100 -7.498 2.844 -2.718 813 HA PRO 101 HA PRO 101 -5.531 10.569 -7.398 814 1HB PRO 101 HB2 PRO 101 -8.130 11.492 -6.220 815 2HB PRO 101 HB1 PRO 101 -7.137 12.262 -7.466 816 1HG PRO 101 HG2 PRO 101 -9.287 10.915 -8.173 817 2HG PRO 101 HG1 PRO 101 -7.785 10.711 -9.097 818 1HD PRO 101 HD2 PRO 101 -9.056 8.879 -7.118 819 2HD PRO 101 HD1 PRO 101 -8.126 8.494 -8.581 820 H GLY 102 HN GLY 102 -4.084 11.179 -5.892 821 1HA GLY 102 HA2 GLY 102 -4.983 11.368 -3.090 822 2HA GLY 102 HA1 GLY 102 -3.503 10.510 -3.487 823 H GLU 103 HN GLU 103 -3.115 12.369 -1.727 824 HA GLU 103 HA GLU 103 -1.604 14.398 -3.157 825 1HB GLU 103 HB2 GLU 103 -2.516 16.251 -1.842 826 2HB GLU 103 HB1 GLU 103 -3.773 15.482 -2.799 827 1HG GLU 103 HG2 GLU 103 -3.292 14.845 0.096 828 2HG GLU 103 HG1 GLU 103 -4.401 16.102 -0.451 829 H TRP 104 HN TRP 104 0.011 15.430 -1.812 830 HA TRP 104 HA TRP 104 1.267 13.660 -0.034 831 1HB TRP 104 HB2 TRP 104 1.872 16.566 0.241 832 2HB TRP 104 HB1 TRP 104 2.973 15.199 0.112 833 HD1 TRP 104 HD1 TRP 104 2.119 14.028 -2.677 834 HE1 TRP 104 HE1 TRP 104 2.593 15.349 -4.835 835 HE3 TRP 104 HE3 TRP 104 2.585 18.709 -0.677 836 HZ2 TRP 104 HZ2 TRP 104 3.096 18.023 -5.588 837 HZ3 TRP 104 HZ3 TRP 104 3.063 20.594 -2.183 838 HH2 TRP 104 HH2 TRP 104 3.313 20.256 -4.589 839 H MET 105 HN MET 105 0.366 13.019 1.813 840 HA MET 105 HA MET 105 -0.729 15.079 3.615 841 1HB MET 105 HB2 MET 105 -1.555 12.200 3.772 842 2HB MET 105 HB1 MET 105 -2.401 13.626 4.353 843 1HG MET 105 HG2 MET 105 -2.288 14.064 1.651 844 2HG MET 105 HG1 MET 105 -2.498 12.317 1.753 845 1HE MET 105 HE1 MET 105 -5.081 11.259 2.112 846 2HE MET 105 HE2 MET 105 -5.779 11.844 3.622 847 3HE MET 105 HE3 MET 105 -4.090 11.334 3.569 848 H SER 106 HN SER 106 -0.587 14.503 5.946 849 HA SER 106 HA SER 106 2.070 13.453 6.505 850 1HB SER 106 HB2 SER 106 0.761 15.604 7.508 851 2HB SER 106 HB1 SER 106 0.387 14.404 8.745 852 HG SER 106 HG SER 106 2.752 13.980 8.688 853 H LEU 107 HN LEU 107 2.418 11.445 7.171 854 HA LEU 107 HA LEU 107 0.208 9.710 7.822 855 1HB LEU 107 HB2 LEU 107 2.764 9.360 6.767 856 2HB LEU 107 HB1 LEU 107 2.840 8.597 8.342 857 HG LEU 107 HG LEU 107 1.003 7.911 6.053 858 1HD1 LEU 107 1HD1 LEU 107 2.095 5.824 6.044 859 2HD1 LEU 107 2HD1 LEU 107 2.881 6.139 7.591 860 3HD1 LEU 107 3HD1 LEU 107 3.375 7.033 6.152 861 1HD2 LEU 107 1HD2 LEU 107 -0.501 7.568 7.724 862 2HD2 LEU 107 2HD2 LEU 107 0.744 7.354 8.955 863 3HD2 LEU 107 3HD2 LEU 107 0.380 6.044 7.830 864 H VAL 108 HN VAL 108 2.407 11.664 9.572 865 HA VAL 108 HA VAL 108 2.769 10.310 11.948 866 HB VAL 108 HB VAL 108 3.840 12.459 11.430 867 1HG1 VAL 108 1HG1 VAL 108 1.149 13.674 12.047 868 2HG1 VAL 108 2HG1 VAL 108 1.899 13.590 10.453 869 3HG1 VAL 108 3HG1 VAL 108 2.643 14.557 11.726 870 1HG2 VAL 108 1HG2 VAL 108 3.660 13.454 13.686 871 2HG2 VAL 108 2HG2 VAL 108 3.853 11.701 13.725 872 3HG2 VAL 108 3HG2 VAL 108 2.267 12.421 14.004 873 H GLY 109 HN GLY 109 -0.166 11.624 10.676 874 1HA GLY 109 HA2 GLY 109 -1.490 10.945 13.223 875 2HA GLY 109 HA1 GLY 109 -1.904 12.413 12.356 876 H LEU 110 HN LEU 110 -1.327 9.111 11.156 877 HA LEU 110 HA LEU 110 -3.490 9.188 9.354 878 1HB LEU 110 HB2 LEU 110 -1.397 7.625 9.479 879 2HB LEU 110 HB1 LEU 110 -2.440 6.615 10.460 880 HG LEU 110 HG LEU 110 -4.012 6.375 8.635 881 1HD1 LEU 110 1HD1 LEU 110 -3.003 7.330 6.355 882 2HD1 LEU 110 2HD1 LEU 110 -2.403 8.562 7.467 883 3HD1 LEU 110 3HD1 LEU 110 -4.133 8.239 7.359 884 1HD2 LEU 110 1HD2 LEU 110 -1.568 5.214 8.753 885 2HD2 LEU 110 2HD2 LEU 110 -1.536 5.902 7.128 886 3HD2 LEU 110 3HD2 LEU 110 -2.820 4.786 7.587 887 H ASN 111 HN ASN 111 -5.527 8.115 9.428 888 HA ASN 111 HA ASN 111 -6.463 7.608 12.166 889 1HB ASN 111 HB2 ASN 111 -7.427 9.415 10.178 890 2HB ASN 111 HB1 ASN 111 -8.671 8.215 10.506 891 1HD2 ASN 111 1HD2 ASN 111 -8.345 11.131 11.164 892 2HD2 ASN 111 2HD2 ASN 111 -8.651 11.224 12.862 893 H ALA 112 HN ALA 112 -7.415 5.767 12.645 894 HA ALA 112 HA ALA 112 -7.460 3.643 10.745 895 1HB ALA 112 HB1 ALA 112 -8.808 3.537 13.424 896 2HB ALA 112 HB2 ALA 112 -7.051 3.486 13.273 897 3HB ALA 112 HB3 ALA 112 -8.038 2.232 12.517 898 H ASP 113 HN ASP 113 -9.652 6.107 11.575 899 HA ASP 113 HA ASP 113 -12.074 4.678 10.996 900 1HB ASP 113 HB2 ASP 113 -11.403 7.151 12.169 901 2HB ASP 113 HB1 ASP 113 -12.362 7.535 10.743 902 H ASP 114 HN ASP 114 -10.147 7.137 9.276 903 HA ASP 114 HA ASP 114 -11.785 7.165 6.969 904 1HB ASP 114 HB2 ASP 114 -9.174 7.884 6.174 905 2HB ASP 114 HB1 ASP 114 -10.524 8.949 6.520 906 H PHE 115 HN PHE 115 -8.907 5.334 7.846 907 HA PHE 115 HA PHE 115 -8.741 4.060 5.264 908 1HB PHE 115 HB2 PHE 115 -6.676 3.433 5.932 909 2HB PHE 115 HB1 PHE 115 -6.935 4.530 7.289 910 HD1 PHE 115 HD1 PHE 115 -8.670 3.166 9.038 911 HD2 PHE 115 HD2 PHE 115 -5.552 1.555 6.655 912 HE1 PHE 115 HE1 PHE 115 -8.440 1.303 10.625 913 HE2 PHE 115 HE2 PHE 115 -5.313 -0.314 8.231 914 HZ PHE 115 HZ PHE 115 -6.760 -0.441 10.215 915 HA PRO 116 HA PRO 116 -11.189 0.468 6.039 916 1HB PRO 116 HB2 PRO 116 -9.651 -1.647 5.328 917 2HB PRO 116 HB1 PRO 116 -10.319 -0.515 4.147 918 1HG PRO 116 HG2 PRO 116 -7.565 -0.629 5.314 919 2HG PRO 116 HG1 PRO 116 -8.059 -0.343 3.634 920 1HD PRO 116 HD2 PRO 116 -7.333 1.659 5.318 921 2HD PRO 116 HD1 PRO 116 -8.521 1.879 4.017 922 HA PRO 117 HA PRO 117 -10.096 -0.642 10.255 923 1HB PRO 117 HB2 PRO 117 -12.260 -2.262 10.704 924 2HB PRO 117 HB1 PRO 117 -12.303 -0.500 10.825 925 1HG PRO 117 HG2 PRO 117 -13.156 -2.266 8.564 926 2HG PRO 117 HG1 PRO 117 -13.958 -0.830 9.229 927 1HD PRO 117 HD2 PRO 117 -12.520 -0.722 6.962 928 2HD PRO 117 HD1 PRO 117 -12.546 0.628 8.115 929 H ALA 118 HN ALA 118 -10.456 -2.772 7.582 930 HA ALA 118 HA ALA 118 -9.937 -5.221 8.920 931 1HB ALA 118 HB1 ALA 118 -10.830 -4.613 6.464 932 2HB ALA 118 HB2 ALA 118 -10.162 -6.187 6.896 933 3HB ALA 118 HB3 ALA 118 -9.148 -4.989 6.093 934 H ASN 119 HN ASN 119 -7.927 -2.594 8.306 935 HA ASN 119 HA ASN 119 -5.550 -4.318 8.541 936 1HB ASN 119 HB2 ASN 119 -6.206 -2.305 6.579 937 2HB ASN 119 HB1 ASN 119 -4.719 -1.879 7.419 938 1HD2 ASN 119 1HD2 ASN 119 -2.981 -3.390 7.396 939 2HD2 ASN 119 2HD2 ASN 119 -2.839 -4.540 6.116 940 H GLU 120 HN GLU 120 -7.069 -3.196 10.724 941 HA GLU 120 HA GLU 120 -5.749 -0.875 11.707 942 1HB GLU 120 HB2 GLU 120 -7.485 -0.853 13.087 943 2HB GLU 120 HB1 GLU 120 -8.033 -2.355 12.377 944 1HG GLU 120 HG2 GLU 120 -6.755 -3.604 14.058 945 2HG GLU 120 HG1 GLU 120 -6.235 -2.081 14.776 946 HA PRO 121 HA PRO 121 -3.548 -4.361 14.478 947 1HB PRO 121 HB2 PRO 121 -2.988 -6.119 12.139 948 2HB PRO 121 HB1 PRO 121 -3.292 -6.552 13.825 949 1HG PRO 121 HG2 PRO 121 -5.176 -6.903 11.983 950 2HG PRO 121 HG1 PRO 121 -5.592 -6.323 13.607 951 1HD PRO 121 HD2 PRO 121 -5.405 -4.807 11.040 952 2HD PRO 121 HD1 PRO 121 -6.540 -4.606 12.391 953 H VAL 122 HN VAL 122 -2.757 -3.838 11.057 954 HA VAL 122 HA VAL 122 0.065 -3.644 11.536 955 HB VAL 122 HB VAL 122 -1.242 -2.576 9.061 956 1HG1 VAL 122 1HG1 VAL 122 1.299 -2.613 9.651 957 2HG1 VAL 122 2HG1 VAL 122 0.760 -3.035 8.025 958 3HG1 VAL 122 3HG1 VAL 122 1.185 -4.307 9.171 959 1HG2 VAL 122 1HG2 VAL 122 -1.311 -5.365 10.023 960 2HG2 VAL 122 2HG2 VAL 122 -0.831 -5.128 8.342 961 3HG2 VAL 122 3HG2 VAL 122 -2.386 -4.518 8.910 962 H ILE 123 HN ILE 123 -2.466 -1.326 10.610 963 HA ILE 123 HA ILE 123 -0.786 0.946 10.716 964 HB ILE 123 HB ILE 123 -3.785 0.656 10.798 965 1HG1 ILE 123 2HG1 ILE 123 -1.858 0.528 8.733 966 2HG1 ILE 123 1HG1 ILE 123 -3.606 0.536 8.570 967 1HG2 ILE 123 1HG2 ILE 123 -3.835 3.114 10.316 968 2HG2 ILE 123 2HG2 ILE 123 -2.129 3.171 10.761 969 3HG2 ILE 123 3HG2 ILE 123 -3.337 2.691 11.955 970 1HD1 ILE 123 1HD1 ILE 123 -2.562 2.238 7.183 971 2HD1 ILE 123 2HD1 ILE 123 -1.840 2.968 8.618 972 3HD1 ILE 123 3HD1 ILE 123 -3.595 2.962 8.419 973 H ALA 124 HN ALA 124 -2.659 -0.747 13.131 974 HA ALA 124 HA ALA 124 -2.853 1.232 15.086 975 1HB ALA 124 HB1 ALA 124 -2.590 -1.758 15.342 976 2HB ALA 124 HB2 ALA 124 -4.068 -0.796 15.372 977 3HB ALA 124 HB3 ALA 124 -2.918 -0.689 16.706 978 H LYS 125 HN LYS 125 -0.155 -0.697 14.047 979 HA LYS 125 HA LYS 125 1.483 -0.192 16.341 980 1HB LYS 125 HB2 LYS 125 1.618 -1.823 14.040 981 2HB LYS 125 HB1 LYS 125 3.036 -0.785 13.996 982 1HG LYS 125 HG2 LYS 125 3.593 -2.813 15.134 983 2HG LYS 125 HG1 LYS 125 3.572 -1.494 16.306 984 1HD LYS 125 HD2 LYS 125 2.146 -2.670 17.542 985 2HD LYS 125 HD1 LYS 125 0.960 -2.538 16.242 986 1HE LYS 125 HE2 LYS 125 1.052 -4.777 16.203 987 2HE LYS 125 HE1 LYS 125 2.564 -4.544 15.328 988 1HZ LYS 125 HZ1 LYS 125 3.808 -5.066 17.150 989 2HZ LYS 125 HZ2 LYS 125 2.459 -6.041 17.448 990 3HZ LYS 125 HZ3 LYS 125 2.630 -4.568 18.260 991 H LEU 126 HN LEU 126 1.498 1.085 13.008 992 HA LEU 126 HA LEU 126 3.499 3.050 13.628 993 1HB LEU 126 HB2 LEU 126 2.534 1.888 11.315 994 2HB LEU 126 HB1 LEU 126 1.937 3.531 11.213 995 HG LEU 126 HG LEU 126 4.271 4.345 11.544 996 1HD1 LEU 126 1HD1 LEU 126 5.925 2.365 10.848 997 2HD1 LEU 126 2HD1 LEU 126 4.737 1.436 11.761 998 3HD1 LEU 126 3HD1 LEU 126 5.579 2.783 12.526 999 1HD2 LEU 126 1HD2 LEU 126 4.524 2.603 9.197 1000 2HD2 LEU 126 2HD2 LEU 126 4.587 4.361 9.321 1001 3HD2 LEU 126 3HD2 LEU 126 3.029 3.536 9.272 1002 H LYS 127 HN LYS 127 0.001 3.058 13.187 1003 HA LYS 127 HA LYS 127 -0.513 5.771 13.114 1004 1HB LYS 127 HB2 LYS 127 -2.172 3.986 12.804 1005 2HB LYS 127 HB1 LYS 127 -2.147 3.665 14.527 1006 1HG LYS 127 HG2 LYS 127 -3.129 5.745 15.032 1007 2HG LYS 127 HG1 LYS 127 -2.864 6.351 13.395 1008 1HD LYS 127 HD2 LYS 127 -4.826 5.541 12.726 1009 2HD LYS 127 HD1 LYS 127 -4.399 3.928 13.300 1010 1HE LYS 127 HE2 LYS 127 -5.312 6.043 15.215 1011 2HE LYS 127 HE1 LYS 127 -6.482 5.108 14.284 1012 1HZ LYS 127 HZ1 LYS 127 -4.788 4.284 16.493 1013 2HZ LYS 127 HZ2 LYS 127 -4.942 3.162 15.237 1014 3HZ LYS 127 HZ3 LYS 127 -6.321 3.729 16.036 1015 H ARG 128 HN ARG 128 -0.053 3.676 15.923 1016 HA ARG 128 HA ARG 128 -0.537 5.738 17.836 1017 1HB ARG 128 HB2 ARG 128 -0.788 3.302 18.309 1018 2HB ARG 128 HB1 ARG 128 0.958 3.137 18.203 1019 1HG ARG 128 HG2 ARG 128 0.513 5.211 20.025 1020 2HG ARG 128 HG1 ARG 128 -0.669 3.963 20.420 1021 1HD ARG 128 HD2 ARG 128 1.547 3.769 21.595 1022 2HD ARG 128 HD1 ARG 128 1.020 2.330 20.723 1023 HE ARG 128 HE ARG 128 2.673 3.968 19.095 1024 1HH1 ARG 128 1HH1 ARG 128 2.781 1.678 21.727 1025 2HH1 ARG 128 2HH1 ARG 128 4.391 1.153 21.369 1026 1HH2 ARG 128 1HH2 ARG 128 4.792 3.278 18.624 1027 2HH2 ARG 128 2HH2 ARG 128 5.533 2.062 19.609 1028 H LEU 129 HN LEU 129 1.903 5.316 15.659 1029 HA LEU 129 HA LEU 129 4.012 6.141 15.424 1030 1HB LEU 129 HB2 LEU 129 2.660 8.011 17.279 1031 2HB LEU 129 HB1 LEU 129 4.406 8.137 17.187 1032 HG LEU 129 HG LEU 129 4.347 8.693 14.879 1033 1HD1 LEU 129 1HD1 LEU 129 1.827 8.890 13.949 1034 2HD1 LEU 129 2HD1 LEU 129 1.663 7.486 15.001 1035 3HD1 LEU 129 3HD1 LEU 129 2.856 7.480 13.703 1036 1HD2 LEU 129 1HD2 LEU 129 2.850 10.184 16.816 1037 2HD2 LEU 129 2HD2 LEU 129 2.147 10.413 15.216 1038 3HD2 LEU 129 3HD2 LEU 129 3.852 10.769 15.488 1039 1HO1 MO2 130 1HO1 MO2 130 -4.486 -1.095 -9.156 1040 2HO1 MO2 130 2HO1 MO2 130 -2.902 -4.917 -11.666 1041 1HO2 MO2 130 1HO2 MO2 130 -5.120 -2.392 -9.608 1042 2HO2 MO2 130 2HO2 MO2 130 -4.129 -4.037 -11.752 1043 1H5* 8OG 131 1H5* ODG 131 -9.668 -4.400 -4.506 1044 2H5* 8OG 131 2H5* ODG 131 -9.301 -3.426 -3.109 1045 H4* 8OG 131 1H4* ODG 131 -8.603 -5.445 -1.917 1046 H3* 8OG 131 1H3* ODG 131 -8.912 -6.732 -4.421 1047 1H2* 8OG 131 1H2* ODG 131 -10.793 -7.916 -4.180 1048 2H2* 8OG 131 2H2* ODG 131 -10.213 -8.563 -2.661 1049 H1* 8OG 131 1H1* ODG 131 -11.570 -7.254 -1.506 1050 H1 8OG 131 H1 ODG 131 -17.506 -7.613 -1.237 1051 H7 8OG 131 H7 ODG 131 -14.888 -6.400 -5.305 1052 1H2 8OG 131 H21 ODG 131 -15.128 -8.002 1.298 1053 2H2 8OG 131 H22 ODG 131 -16.805 -8.053 0.869 1054 H3T 8OG 131 *HO1 ODG 131 -7.295 -6.916 -2.514 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -8.669 -23.760 -3.114 2 2H MET 1 HT2 MET 1 -10.272 -23.755 -3.725 3 3H MET 1 HT3 MET 1 -9.941 -24.434 -2.183 4 HA MET 1 HA MET 1 -10.981 -22.234 -2.133 5 1HB MET 1 HB2 MET 1 -9.122 -23.397 -0.536 6 2HB MET 1 HB1 MET 1 -8.303 -21.889 -0.922 7 1HG MET 1 HG2 MET 1 -10.544 -20.787 -0.245 8 2HG MET 1 HG1 MET 1 -10.862 -22.326 0.551 9 1HE MET 1 HE1 MET 1 -8.647 -23.466 1.551 10 2HE MET 1 HE2 MET 1 -7.914 -22.697 2.958 11 3HE MET 1 HE3 MET 1 -7.176 -22.512 1.367 12 H LYS 2 HN LYS 2 -10.482 -19.909 -2.136 13 HA LYS 2 HA LYS 2 -8.741 -19.218 -4.407 14 1HB LYS 2 HB2 LYS 2 -11.423 -18.691 -4.056 15 2HB LYS 2 HB1 LYS 2 -10.668 -17.182 -3.564 16 1HG LYS 2 HG2 LYS 2 -10.928 -16.783 -5.786 17 2HG LYS 2 HG1 LYS 2 -9.325 -17.519 -5.805 18 1HD LYS 2 HD2 LYS 2 -10.347 -19.691 -6.335 19 2HD LYS 2 HD1 LYS 2 -11.938 -18.929 -6.349 20 1HE LYS 2 HE2 LYS 2 -10.912 -17.348 -8.113 21 2HE LYS 2 HE1 LYS 2 -9.659 -18.580 -8.265 22 1HZ LYS 2 HZ1 LYS 2 -11.842 -20.081 -8.440 23 2HZ LYS 2 HZ2 LYS 2 -11.081 -19.397 -9.786 24 3HZ LYS 2 HZ3 LYS 2 -12.438 -18.646 -9.110 25 H LYS 3 HN LYS 3 -6.823 -18.640 -3.568 26 HA LYS 3 HA LYS 3 -6.802 -16.753 -1.309 27 1HB LYS 3 HB2 LYS 3 -4.448 -17.448 -0.991 28 2HB LYS 3 HB1 LYS 3 -5.576 -18.788 -0.841 29 1HG LYS 3 HG2 LYS 3 -4.431 -19.913 -2.359 30 2HG LYS 3 HG1 LYS 3 -4.784 -18.660 -3.551 31 1HD LYS 3 HD2 LYS 3 -2.643 -17.989 -1.654 32 2HD LYS 3 HD1 LYS 3 -2.287 -19.350 -2.720 33 1HE LYS 3 HE2 LYS 3 -3.293 -17.656 -4.521 34 2HE LYS 3 HE1 LYS 3 -2.685 -16.483 -3.355 35 1HZ LYS 3 HZ1 LYS 3 -0.517 -17.205 -3.640 36 2HZ LYS 3 HZ2 LYS 3 -1.134 -17.270 -5.213 37 3HZ LYS 3 HZ3 LYS 3 -0.975 -18.690 -4.308 38 H LEU 4 HN LEU 4 -6.238 -14.715 -1.679 39 HA LEU 4 HA LEU 4 -4.682 -14.112 -4.105 40 1HB LEU 4 HB2 LEU 4 -5.959 -11.944 -4.186 41 2HB LEU 4 HB1 LEU 4 -6.872 -13.384 -4.596 42 HG LEU 4 HG LEU 4 -7.529 -13.276 -2.030 43 1HD1 LEU 4 1HD1 LEU 4 -6.451 -11.472 -1.154 44 2HD1 LEU 4 2HD1 LEU 4 -7.932 -10.686 -1.699 45 3HD1 LEU 4 3HD1 LEU 4 -6.466 -10.581 -2.675 46 1HD2 LEU 4 1HD2 LEU 4 -9.582 -12.559 -2.721 47 2HD2 LEU 4 2HD2 LEU 4 -8.865 -12.952 -4.284 48 3HD2 LEU 4 3HD2 LEU 4 -8.918 -11.277 -3.734 49 H GLN 5 HN GLN 5 -3.051 -12.672 -3.916 50 HA GLN 5 HA GLN 5 -2.393 -11.783 -1.212 51 1HB GLN 5 HB2 GLN 5 -0.621 -11.956 -3.646 52 2HB GLN 5 HB1 GLN 5 -0.103 -11.584 -2.007 53 1HG GLN 5 HG2 GLN 5 -1.156 -13.866 -1.421 54 2HG GLN 5 HG1 GLN 5 -1.042 -14.168 -3.147 55 1HE2 GLN 5 1HE2 GLN 5 1.112 -13.869 -4.126 56 2HE2 GLN 5 2HE2 GLN 5 2.499 -14.316 -3.198 57 H ILE 6 HN ILE 6 -1.497 -9.701 -0.867 58 HA ILE 6 HA ILE 6 -1.879 -7.686 -2.925 59 HB ILE 6 HB ILE 6 -3.093 -7.341 -0.187 60 1HG1 ILE 6 2HG1 ILE 6 -4.548 -7.923 -2.775 61 2HG1 ILE 6 1HG1 ILE 6 -4.270 -9.111 -1.504 62 1HG2 ILE 6 1HG2 ILE 6 -3.697 -5.268 -0.834 63 2HG2 ILE 6 2HG2 ILE 6 -3.911 -5.738 -2.521 64 3HG2 ILE 6 3HG2 ILE 6 -2.292 -5.454 -1.883 65 1HD1 ILE 6 1HD1 ILE 6 -6.170 -8.471 -0.580 66 2HD1 ILE 6 2HD1 ILE 6 -6.340 -7.153 -1.738 67 3HD1 ILE 6 3HD1 ILE 6 -5.436 -6.904 -0.244 68 H ALA 7 HN ALA 7 -0.187 -6.304 -2.890 69 HA ALA 7 HA ALA 7 1.279 -6.011 -0.340 70 1HB ALA 7 HB1 ALA 7 2.885 -7.160 -1.469 71 2HB ALA 7 HB2 ALA 7 3.247 -5.548 -2.082 72 3HB ALA 7 HB3 ALA 7 2.286 -6.662 -3.049 73 H VAL 8 HN VAL 8 1.352 -3.968 0.354 74 HA VAL 8 HA VAL 8 0.986 -1.835 -1.637 75 HB VAL 8 HB VAL 8 -0.598 -0.831 -0.433 76 1HG1 VAL 8 1HG1 VAL 8 -1.235 -3.269 -0.341 77 2HG1 VAL 8 2HG1 VAL 8 -2.002 -2.227 0.858 78 3HG1 VAL 8 3HG1 VAL 8 -0.659 -3.270 1.325 79 1HG2 VAL 8 1HG2 VAL 8 -0.498 -0.559 2.052 80 2HG2 VAL 8 2HG2 VAL 8 0.908 0.073 1.191 81 3HG2 VAL 8 3HG2 VAL 8 1.011 -1.473 2.034 82 H GLY 9 HN GLY 9 1.843 0.270 -1.032 83 1HA GLY 9 HA2 GLY 9 4.145 0.158 0.780 84 2HA GLY 9 HA1 GLY 9 4.404 0.627 -0.892 85 H ILE 10 HN ILE 10 3.924 1.799 2.148 86 HA ILE 10 HA ILE 10 2.234 4.050 1.624 87 HB ILE 10 HB ILE 10 4.314 3.679 3.799 88 1HG1 ILE 10 2HG1 ILE 10 1.936 3.257 5.015 89 2HG1 ILE 10 1HG1 ILE 10 1.579 2.618 3.414 90 1HG2 ILE 10 1HG2 ILE 10 2.940 5.305 5.043 91 2HG2 ILE 10 2HG2 ILE 10 1.952 5.533 3.601 92 3HG2 ILE 10 3HG2 ILE 10 3.657 5.987 3.583 93 1HD1 ILE 10 1HD1 ILE 10 2.550 0.728 4.000 94 2HD1 ILE 10 2HD1 ILE 10 3.032 1.420 5.549 95 3HD1 ILE 10 3HD1 ILE 10 4.084 1.585 4.143 96 H ILE 11 HN ILE 11 2.892 5.306 -0.055 97 HA ILE 11 HA ILE 11 5.612 5.876 -0.612 98 HB ILE 11 HB ILE 11 3.513 7.673 -1.692 99 1HG1 ILE 11 2HG1 ILE 11 3.762 4.723 -2.290 100 2HG1 ILE 11 1HG1 ILE 11 2.306 5.637 -1.905 101 1HG2 ILE 11 1HG2 ILE 11 6.046 7.628 -2.188 102 2HG2 ILE 11 2HG2 ILE 11 4.915 7.773 -3.537 103 3HG2 ILE 11 3HG2 ILE 11 5.666 6.219 -3.177 104 1HD1 ILE 11 1HD1 ILE 11 2.514 4.950 -4.289 105 2HD1 ILE 11 2HD1 ILE 11 3.904 6.024 -4.422 106 3HD1 ILE 11 3HD1 ILE 11 2.315 6.685 -4.045 107 H ARG 12 HN ARG 12 6.925 7.332 0.145 108 HA ARG 12 HA ARG 12 5.897 9.418 1.928 109 1HB ARG 12 HB2 ARG 12 8.494 8.002 1.610 110 2HB ARG 12 HB1 ARG 12 8.553 9.659 2.183 111 1HG ARG 12 HG2 ARG 12 6.587 8.024 3.574 112 2HG ARG 12 HG1 ARG 12 8.239 7.440 3.738 113 1HD ARG 12 HD2 ARG 12 8.580 10.105 4.122 114 2HD ARG 12 HD1 ARG 12 6.972 9.866 4.805 115 HE ARG 12 HE ARG 12 7.914 8.701 6.540 116 1HH1 ARG 12 1HH1 ARG 12 10.272 9.053 3.992 117 2HH1 ARG 12 2HH1 ARG 12 11.581 8.444 4.949 118 1HH2 ARG 12 1HH2 ARG 12 9.635 7.901 7.800 119 2HH2 ARG 12 2HH2 ARG 12 11.219 7.790 7.111 120 H ASN 13 HN ASN 13 5.646 11.414 1.174 121 HA ASN 13 HA ASN 13 6.687 12.206 -1.380 122 1HB ASN 13 HB2 ASN 13 5.891 14.572 -0.471 123 2HB ASN 13 HB1 ASN 13 4.741 13.378 -1.038 124 1HD2 ASN 13 1HD2 ASN 13 3.173 12.782 0.268 125 2HD2 ASN 13 2HD2 ASN 13 3.071 13.157 1.949 126 H GLU 14 HN GLU 14 7.566 14.726 -1.195 127 HA GLU 14 HA GLU 14 10.250 14.363 -0.243 128 1HB GLU 14 HB2 GLU 14 9.810 15.399 -2.399 129 2HB GLU 14 HB1 GLU 14 8.888 16.679 -1.620 130 1HG GLU 14 HG2 GLU 14 10.780 17.702 -0.773 131 2HG GLU 14 HG1 GLU 14 11.748 16.233 -0.880 132 H ASN 15 HN ASN 15 7.745 15.002 1.621 133 HA ASN 15 HA ASN 15 9.261 16.939 3.236 134 1HB ASN 15 HB2 ASN 15 7.386 18.077 2.057 135 2HB ASN 15 HB1 ASN 15 6.260 17.012 2.892 136 1HD2 ASN 15 1HD2 ASN 15 5.232 18.678 3.951 137 2HD2 ASN 15 2HD2 ASN 15 5.972 19.566 5.234 138 H ASN 16 HN ASN 16 9.150 14.069 3.520 139 HA ASN 16 HA ASN 16 8.972 12.511 5.174 140 1HB ASN 16 HB2 ASN 16 9.229 15.004 6.510 141 2HB ASN 16 HB1 ASN 16 8.073 14.024 7.404 142 1HD2 ASN 16 1HD2 ASN 16 11.324 14.094 6.081 143 2HD2 ASN 16 2HD2 ASN 16 11.995 12.943 7.179 144 H GLU 17 HN GLU 17 6.455 13.993 3.859 145 HA GLU 17 HA GLU 17 4.430 12.726 5.550 146 1HB GLU 17 HB2 GLU 17 3.650 14.368 3.187 147 2HB GLU 17 HB1 GLU 17 2.879 14.231 4.754 148 1HG GLU 17 HG2 GLU 17 5.389 15.772 4.153 149 2HG GLU 17 HG1 GLU 17 3.784 16.454 4.401 150 H ILE 18 HN ILE 18 2.707 11.505 4.346 151 HA ILE 18 HA ILE 18 3.928 10.130 2.045 152 HB ILE 18 HB ILE 18 2.379 9.075 4.363 153 1HG1 ILE 18 2HG1 ILE 18 4.672 7.662 3.141 154 2HG1 ILE 18 1HG1 ILE 18 5.013 9.206 3.918 155 1HG2 ILE 18 1HG2 ILE 18 1.682 8.278 1.843 156 2HG2 ILE 18 2HG2 ILE 18 1.496 7.313 3.297 157 3HG2 ILE 18 3HG2 ILE 18 2.916 7.104 2.275 158 1HD1 ILE 18 1HD1 ILE 18 5.117 6.925 5.230 159 2HD1 ILE 18 2HD1 ILE 18 3.390 7.233 5.413 160 3HD1 ILE 18 3HD1 ILE 18 4.562 8.413 5.996 161 H PHE 19 HN PHE 19 2.730 9.685 0.283 162 HA PHE 19 HA PHE 19 0.194 11.096 0.038 163 1HB PHE 19 HB2 PHE 19 1.327 11.696 -1.835 164 2HB PHE 19 HB1 PHE 19 2.378 10.292 -1.769 165 HD1 PHE 19 HD1 PHE 19 -0.939 11.490 -2.867 166 HD2 PHE 19 HD2 PHE 19 1.996 8.421 -3.138 167 HE1 PHE 19 HE1 PHE 19 -2.138 10.511 -4.777 168 HE2 PHE 19 HE2 PHE 19 0.796 7.437 -5.048 169 HZ PHE 19 HZ PHE 19 -1.275 8.483 -5.869 170 H ILE 20 HN ILE 20 -1.266 9.759 1.065 171 HA ILE 20 HA ILE 20 -1.568 7.022 0.004 172 HB ILE 20 HB ILE 20 -3.078 7.957 2.412 173 1HG1 ILE 20 2HG1 ILE 20 -0.848 6.747 3.490 174 2HG1 ILE 20 1HG1 ILE 20 -0.163 7.754 2.221 175 1HG2 ILE 20 1HG2 ILE 20 -2.349 5.476 2.972 176 2HG2 ILE 20 2HG2 ILE 20 -2.193 5.396 1.217 177 3HG2 ILE 20 3HG2 ILE 20 -3.737 5.839 1.947 178 1HD1 ILE 20 1HD1 ILE 20 -2.044 9.342 3.572 179 2HD1 ILE 20 2HD1 ILE 20 -0.287 9.484 3.584 180 3HD1 ILE 20 3HD1 ILE 20 -1.100 8.502 4.802 181 H THR 21 HN THR 21 -3.851 6.272 -0.259 182 HA THR 21 HA THR 21 -5.413 8.342 -1.576 183 HB THR 21 HB THR 21 -6.630 6.617 -2.604 184 HG1 THR 21 HG1 THR 21 -5.639 4.761 -0.713 185 1HG2 THR 21 1HG2 THR 21 -4.414 6.537 -3.487 186 2HG2 THR 21 2HG2 THR 21 -5.009 4.885 -3.313 187 3HG2 THR 21 3HG2 THR 21 -3.862 5.538 -2.142 188 H ARG 22 HN ARG 22 -6.939 9.449 -0.529 189 HA ARG 22 HA ARG 22 -8.486 8.086 1.559 190 1HB ARG 22 HB2 ARG 22 -8.386 10.163 2.945 191 2HB ARG 22 HB1 ARG 22 -6.847 9.329 2.795 192 1HG ARG 22 HG2 ARG 22 -5.926 10.970 1.479 193 2HG ARG 22 HG1 ARG 22 -7.492 11.550 0.915 194 1HD ARG 22 HD2 ARG 22 -7.386 11.858 3.743 195 2HD ARG 22 HD1 ARG 22 -5.906 12.526 3.057 196 HE ARG 22 HE ARG 22 -7.147 14.170 2.008 197 1HH1 ARG 22 1HH1 ARG 22 -9.277 11.833 3.495 198 2HH1 ARG 22 2HH1 ARG 22 -10.685 12.823 3.318 199 1HH2 ARG 22 1HH2 ARG 22 -9.002 15.467 1.776 200 2HH2 ARG 22 2HH2 ARG 22 -10.531 14.883 2.341 201 H ARG 23 HN ARG 23 -10.569 8.211 1.105 202 HA ARG 23 HA ARG 23 -12.522 8.840 0.085 203 1HB ARG 23 HB2 ARG 23 -11.448 11.180 1.530 204 2HB ARG 23 HB1 ARG 23 -12.719 11.531 0.367 205 1HG ARG 23 HG2 ARG 23 -14.315 10.442 1.567 206 2HG ARG 23 HG1 ARG 23 -13.168 9.289 2.252 207 1HD ARG 23 HD2 ARG 23 -13.330 10.495 4.126 208 2HD ARG 23 HD1 ARG 23 -12.314 11.674 3.300 209 HE ARG 23 HE ARG 23 -14.126 13.065 3.113 210 1HH1 ARG 23 1HH1 ARG 23 -15.222 9.879 4.025 211 2HH1 ARG 23 2HH1 ARG 23 -16.847 10.391 4.335 212 1HH2 ARG 23 1HH2 ARG 23 -16.263 13.739 3.520 213 2HH2 ARG 23 2HH2 ARG 23 -17.438 12.582 4.048 214 H ALA 24 HN ALA 24 -10.119 8.810 -1.624 215 HA ALA 24 HA ALA 24 -10.691 10.950 -3.529 216 1HB ALA 24 HB1 ALA 24 -8.346 9.387 -2.824 217 2HB ALA 24 HB2 ALA 24 -8.466 10.971 -3.589 218 3HB ALA 24 HB3 ALA 24 -8.594 9.508 -4.566 219 H ALA 25 HN ALA 25 -12.503 8.673 -3.122 220 HA ALA 25 HA ALA 25 -12.274 7.315 -5.719 221 1HB ALA 25 HB1 ALA 25 -13.865 5.672 -4.793 222 2HB ALA 25 HB2 ALA 25 -13.857 6.559 -3.268 223 3HB ALA 25 HB3 ALA 25 -12.380 5.791 -3.849 224 H ASP 26 HN ASP 26 -14.166 9.553 -3.895 225 HA ASP 26 HA ASP 26 -15.968 10.829 -4.425 226 1HB ASP 26 HB2 ASP 26 -14.677 10.300 -6.904 227 2HB ASP 26 HB1 ASP 26 -16.415 10.249 -7.167 228 H ALA 27 HN ALA 27 -17.229 9.378 -3.118 229 HA ALA 27 HA ALA 27 -19.067 8.107 -2.692 230 1HB ALA 27 HB1 ALA 27 -19.746 8.597 -5.590 231 2HB ALA 27 HB2 ALA 27 -20.114 9.700 -4.263 232 3HB ALA 27 HB3 ALA 27 -20.857 8.101 -4.313 233 H HIS 28 HN HIS 28 -17.145 6.476 -2.713 234 HA HIS 28 HA HIS 28 -18.117 4.111 -4.049 235 1HB HIS 28 HB2 HIS 28 -15.845 5.594 -5.094 236 2HB HIS 28 HB1 HIS 28 -15.398 3.949 -4.656 237 HD1 HIS 28 HD1 HIS 28 -15.071 3.771 -7.341 238 HD2 HIS 28 HD2 HIS 28 -18.975 4.073 -5.951 239 HE1 HIS 28 HE1 HIS 28 -16.525 2.998 -9.242 240 HE2 HIS 28 HE2 HIS 28 -18.886 3.273 -8.408 241 H MET 29 HN MET 29 -14.893 4.912 -2.794 242 HA MET 29 HA MET 29 -15.434 3.267 -0.427 243 1HB MET 29 HB2 MET 29 -13.188 2.206 -0.693 244 2HB MET 29 HB1 MET 29 -14.346 1.749 -1.935 245 1HG MET 29 HG2 MET 29 -12.717 4.070 -2.633 246 2HG MET 29 HG1 MET 29 -11.792 2.592 -2.378 247 1HE MET 29 HE1 MET 29 -10.964 2.071 -4.885 248 2HE MET 29 HE2 MET 29 -11.416 3.773 -4.981 249 3HE MET 29 HE3 MET 29 -11.931 2.650 -6.240 250 H ALA 30 HN ALA 30 -15.561 5.378 0.577 251 HA ALA 30 HA ALA 30 -13.135 6.962 0.703 252 1HB ALA 30 HB1 ALA 30 -15.955 7.330 1.459 253 2HB ALA 30 HB2 ALA 30 -14.804 8.471 0.765 254 3HB ALA 30 HB3 ALA 30 -14.776 8.134 2.496 255 H ASN 31 HN ASN 31 -14.770 4.558 2.601 256 HA ASN 31 HA ASN 31 -13.196 5.157 4.976 257 1HB ASN 31 HB2 ASN 31 -15.722 4.029 4.547 258 2HB ASN 31 HB1 ASN 31 -14.724 2.701 5.130 259 1HD2 ASN 31 1HD2 ASN 31 -16.667 3.290 6.734 260 2HD2 ASN 31 2HD2 ASN 31 -16.152 4.212 8.102 261 H LYS 32 HN LYS 32 -12.221 3.902 2.283 262 HA LYS 32 HA LYS 32 -10.837 1.624 3.513 263 1HB LYS 32 HB2 LYS 32 -12.119 1.940 0.916 264 2HB LYS 32 HB1 LYS 32 -10.471 1.341 0.787 265 1HG LYS 32 HG2 LYS 32 -11.211 -0.338 2.620 266 2HG LYS 32 HG1 LYS 32 -12.842 0.087 2.097 267 1HD LYS 32 HD2 LYS 32 -12.070 -1.881 0.907 268 2HD LYS 32 HD1 LYS 32 -12.237 -0.525 -0.210 269 1HE LYS 32 HE2 LYS 32 -10.146 -1.949 -0.444 270 2HE LYS 32 HE1 LYS 32 -9.911 -0.205 -0.338 271 1HZ LYS 32 HZ1 LYS 32 -9.748 -1.954 2.043 272 2HZ LYS 32 HZ2 LYS 32 -9.168 -0.376 1.860 273 3HZ LYS 32 HZ3 LYS 32 -8.404 -1.654 1.060 274 H LEU 33 HN LEU 33 -10.123 4.450 3.595 275 HA LEU 33 HA LEU 33 -8.180 5.383 1.971 276 1HB LEU 33 HB2 LEU 33 -9.047 6.350 4.161 277 2HB LEU 33 HB1 LEU 33 -7.835 5.374 4.961 278 HG LEU 33 HG LEU 33 -7.212 7.470 2.889 279 1HD1 LEU 33 1HD1 LEU 33 -6.444 8.836 4.779 280 2HD1 LEU 33 2HD1 LEU 33 -7.081 7.627 5.894 281 3HD1 LEU 33 3HD1 LEU 33 -8.178 8.523 4.843 282 1HD2 LEU 33 1HD2 LEU 33 -5.535 5.738 4.675 283 2HD2 LEU 33 2HD2 LEU 33 -4.924 7.244 3.990 284 3HD2 LEU 33 3HD2 LEU 33 -5.440 5.936 2.925 285 H GLU 34 HN GLU 34 -6.424 4.478 1.094 286 HA GLU 34 HA GLU 34 -4.497 3.128 2.748 287 1HB GLU 34 HB2 GLU 34 -6.412 1.485 1.776 288 2HB GLU 34 HB1 GLU 34 -5.267 1.442 0.443 289 1HG GLU 34 HG2 GLU 34 -3.635 1.097 2.600 290 2HG GLU 34 HG1 GLU 34 -5.102 0.261 3.107 291 H PHE 35 HN PHE 35 -2.882 1.955 0.960 292 HA PHE 35 HA PHE 35 -2.240 4.122 -0.929 293 1HB PHE 35 HB2 PHE 35 0.069 2.522 -0.197 294 2HB PHE 35 HB1 PHE 35 -0.150 4.264 -0.130 295 HD1 PHE 35 HD1 PHE 35 0.067 5.265 1.913 296 HD2 PHE 35 HD2 PHE 35 -1.239 1.220 1.745 297 HE1 PHE 35 HE1 PHE 35 0.059 5.170 4.371 298 HE2 PHE 35 HE2 PHE 35 -1.254 1.118 4.202 299 HZ PHE 35 HZ PHE 35 -0.605 3.095 5.519 300 HA PRO 36 HA PRO 36 -1.949 1.572 -4.504 301 1HB PRO 36 HB2 PRO 36 0.808 1.797 -5.057 302 2HB PRO 36 HB1 PRO 36 -0.485 2.810 -5.701 303 1HG PRO 36 HG2 PRO 36 1.362 3.311 -3.428 304 2HG PRO 36 HG1 PRO 36 0.643 4.459 -4.573 305 1HD PRO 36 HD2 PRO 36 -0.241 4.271 -2.059 306 2HD PRO 36 HD1 PRO 36 -1.362 4.556 -3.407 307 H GLY 37 HN GLY 37 -0.825 -0.374 -5.424 308 1HA GLY 37 HA2 GLY 37 0.614 -2.263 -5.086 309 2HA GLY 37 HA1 GLY 37 0.561 -1.933 -3.379 310 H GLY 38 HN GLY 38 -1.722 -2.513 -5.925 311 1HA GLY 38 HA2 GLY 38 -2.956 -4.672 -4.359 312 2HA GLY 38 HA1 GLY 38 -3.952 -3.438 -5.128 313 H LYS 39 HN LYS 39 -2.498 -6.459 -5.504 314 HA LYS 39 HA LYS 39 -3.398 -7.780 -7.370 315 1HB LYS 39 HB2 LYS 39 -3.975 -5.866 -8.786 316 2HB LYS 39 HB1 LYS 39 -2.268 -5.516 -9.027 317 1HG LYS 39 HG2 LYS 39 -2.088 -7.020 -10.656 318 2HG LYS 39 HG1 LYS 39 -2.946 -8.251 -9.727 319 1HD LYS 39 HD2 LYS 39 -4.706 -6.127 -10.643 320 2HD LYS 39 HD1 LYS 39 -3.883 -6.938 -11.976 321 1HE LYS 39 HE2 LYS 39 -5.810 -8.205 -11.694 322 2HE LYS 39 HE1 LYS 39 -4.595 -9.117 -10.799 323 1HZ LYS 39 HZ1 LYS 39 -6.316 -9.055 -9.311 324 2HZ LYS 39 HZ2 LYS 39 -6.838 -7.517 -9.782 325 3HZ LYS 39 HZ3 LYS 39 -5.452 -7.683 -8.826 326 H ILE 40 HN ILE 40 -0.622 -6.778 -5.988 327 HA ILE 40 HA ILE 40 1.469 -7.619 -7.576 328 HB ILE 40 HB ILE 40 2.807 -7.820 -5.687 329 1HG1 ILE 40 2HG1 ILE 40 0.706 -7.958 -3.621 330 2HG1 ILE 40 1HG1 ILE 40 0.830 -9.394 -4.625 331 1HG2 ILE 40 1HG2 ILE 40 0.855 -6.055 -4.370 332 2HG2 ILE 40 2HG2 ILE 40 1.273 -5.646 -6.032 333 3HG2 ILE 40 3HG2 ILE 40 2.537 -5.765 -4.810 334 1HD1 ILE 40 1HD1 ILE 40 2.796 -10.007 -3.747 335 2HD1 ILE 40 2HD1 ILE 40 2.254 -9.012 -2.396 336 3HD1 ILE 40 3HD1 ILE 40 3.371 -8.348 -3.588 337 H GLU 41 HN GLU 41 -0.921 -9.432 -5.956 338 HA GLU 41 HA GLU 41 0.079 -11.922 -5.624 339 1HB GLU 41 HB2 GLU 41 -2.302 -12.675 -6.404 340 2HB GLU 41 HB1 GLU 41 -2.103 -11.718 -4.948 341 1HG GLU 41 HG2 GLU 41 -3.427 -10.146 -5.745 342 2HG GLU 41 HG1 GLU 41 -2.419 -9.950 -7.169 343 H MET 42 HN MET 42 -1.954 -11.479 -8.482 344 HA MET 42 HA MET 42 -1.904 -12.718 -10.439 345 1HB MET 42 HB2 MET 42 0.594 -11.029 -10.435 346 2HB MET 42 HB1 MET 42 0.030 -11.889 -11.861 347 1HG MET 42 HG2 MET 42 -1.966 -10.199 -10.515 348 2HG MET 42 HG1 MET 42 -0.619 -9.350 -11.271 349 1HE MET 42 HE1 MET 42 -4.299 -9.950 -12.594 350 2HE MET 42 HE2 MET 42 -3.701 -11.033 -11.337 351 3HE MET 42 HE3 MET 42 -4.035 -11.657 -12.952 352 H GLY 43 HN GLY 43 1.605 -12.685 -10.058 353 1HA GLY 43 HA2 GLY 43 1.861 -15.388 -9.228 354 2HA GLY 43 HA1 GLY 43 2.017 -15.260 -10.966 355 H GLU 44 HN GLU 44 3.037 -12.789 -8.757 356 HA GLU 44 HA GLU 44 5.746 -13.009 -9.799 357 1HB GLU 44 HB2 GLU 44 4.196 -10.933 -8.338 358 2HB GLU 44 HB1 GLU 44 5.943 -10.925 -8.153 359 1HG GLU 44 HG2 GLU 44 5.458 -9.448 -9.916 360 2HG GLU 44 HG1 GLU 44 6.098 -10.910 -10.663 361 H THR 45 HN THR 45 7.419 -12.246 -7.920 362 HA THR 45 HA THR 45 7.279 -14.410 -5.949 363 HB THR 45 HB THR 45 9.779 -12.947 -5.968 364 HG1 THR 45 HG1 THR 45 10.370 -13.522 -8.109 365 1HG2 THR 45 1HG2 THR 45 10.398 -15.347 -7.008 366 2HG2 THR 45 2HG2 THR 45 8.873 -15.728 -6.206 367 3HG2 THR 45 3HG2 THR 45 10.206 -15.035 -5.282 368 HA PRO 46 HA PRO 46 6.538 -12.005 -2.338 369 1HB PRO 46 HB2 PRO 46 8.979 -12.541 -0.981 370 2HB PRO 46 HB1 PRO 46 7.433 -13.363 -0.772 371 1HG PRO 46 HG2 PRO 46 9.786 -14.149 -2.402 372 2HG PRO 46 HG1 PRO 46 8.596 -15.169 -1.574 373 1HD PRO 46 HD2 PRO 46 8.550 -14.891 -4.224 374 2HD PRO 46 HD1 PRO 46 7.039 -14.958 -3.295 375 H GLU 47 HN GLU 47 9.566 -11.639 -4.058 376 HA GLU 47 HA GLU 47 9.943 -8.976 -2.893 377 1HB GLU 47 HB2 GLU 47 11.738 -10.995 -4.094 378 2HB GLU 47 HB1 GLU 47 12.123 -9.319 -4.459 379 1HG GLU 47 HG2 GLU 47 11.729 -9.158 -1.796 380 2HG GLU 47 HG1 GLU 47 12.338 -10.807 -1.935 381 H GLN 48 HN GLN 48 9.638 -10.620 -6.030 382 HA GLN 48 HA GLN 48 9.751 -8.142 -7.495 383 1HB GLN 48 HB2 GLN 48 9.195 -10.996 -8.274 384 2HB GLN 48 HB1 GLN 48 9.047 -9.675 -9.424 385 1HG GLN 48 HG2 GLN 48 11.454 -9.088 -8.726 386 2HG GLN 48 HG1 GLN 48 11.495 -10.721 -8.062 387 1HE2 GLN 48 1HE2 GLN 48 11.427 -12.479 -9.450 388 2HE2 GLN 48 2HE2 GLN 48 11.713 -12.329 -11.147 389 H ALA 49 HN ALA 49 7.324 -9.700 -5.756 390 HA ALA 49 HA ALA 49 5.062 -9.288 -7.353 391 1HB ALA 49 HB1 ALA 49 5.255 -10.605 -5.179 392 2HB ALA 49 HB2 ALA 49 3.778 -9.679 -5.436 393 3HB ALA 49 HB3 ALA 49 5.032 -9.059 -4.361 394 H VAL 50 HN VAL 50 6.432 -7.212 -4.802 395 HA VAL 50 HA VAL 50 4.604 -5.079 -5.408 396 HB VAL 50 HB VAL 50 5.472 -3.925 -3.604 397 1HG1 VAL 50 1HG1 VAL 50 4.857 -6.502 -3.191 398 2HG1 VAL 50 2HG1 VAL 50 5.286 -5.387 -1.894 399 3HG1 VAL 50 3HG1 VAL 50 6.501 -6.483 -2.552 400 1HG2 VAL 50 1HG2 VAL 50 8.092 -5.380 -3.964 401 2HG2 VAL 50 2HG2 VAL 50 7.745 -4.190 -2.709 402 3HG2 VAL 50 3HG2 VAL 50 7.758 -3.706 -4.406 403 H VAL 51 HN VAL 51 8.072 -5.650 -5.885 404 HA VAL 51 HA VAL 51 8.806 -3.240 -7.002 405 HB VAL 51 HB VAL 51 9.839 -5.944 -7.863 406 1HG1 VAL 51 1HG1 VAL 51 11.949 -4.220 -7.890 407 2HG1 VAL 51 2HG1 VAL 51 10.630 -3.182 -8.429 408 3HG1 VAL 51 3HG1 VAL 51 10.993 -4.671 -9.303 409 1HG2 VAL 51 1HG2 VAL 51 9.811 -5.002 -5.300 410 2HG2 VAL 51 2HG2 VAL 51 11.369 -4.421 -5.884 411 3HG2 VAL 51 3HG2 VAL 51 10.990 -6.142 -5.947 412 H ARG 52 HN ARG 52 7.227 -5.993 -8.531 413 HA ARG 52 HA ARG 52 7.401 -4.860 -11.154 414 1HB ARG 52 HB2 ARG 52 7.237 -7.356 -10.500 415 2HB ARG 52 HB1 ARG 52 5.508 -7.058 -10.381 416 1HG ARG 52 HG2 ARG 52 5.239 -6.995 -12.605 417 2HG ARG 52 HG1 ARG 52 6.738 -6.100 -12.863 418 1HD ARG 52 HD2 ARG 52 7.964 -8.251 -12.385 419 2HD ARG 52 HD1 ARG 52 6.401 -9.064 -12.449 420 HE ARG 52 HE ARG 52 7.934 -8.068 -14.669 421 1HH1 ARG 52 1HH1 ARG 52 4.747 -8.953 -13.554 422 2HH1 ARG 52 2HH1 ARG 52 4.139 -9.261 -15.145 423 1HH2 ARG 52 1HH2 ARG 52 7.135 -8.472 -16.764 424 2HH2 ARG 52 2HH2 ARG 52 5.495 -8.989 -16.967 425 H GLU 53 HN GLU 53 4.719 -5.421 -8.887 426 HA GLU 53 HA GLU 53 2.757 -4.139 -10.449 427 1HB GLU 53 HB2 GLU 53 2.922 -5.404 -7.870 428 2HB GLU 53 HB1 GLU 53 2.010 -3.907 -7.738 429 1HG GLU 53 HG2 GLU 53 1.435 -6.052 -9.763 430 2HG GLU 53 HG1 GLU 53 0.638 -5.929 -8.196 431 H LEU 54 HN LEU 54 5.174 -2.939 -8.272 432 HA LEU 54 HA LEU 54 4.098 -0.511 -7.485 433 1HB LEU 54 HB2 LEU 54 6.742 -1.687 -7.706 434 2HB LEU 54 HB1 LEU 54 6.773 0.038 -8.012 435 HG LEU 54 HG LEU 54 5.808 0.501 -5.851 436 1HD1 LEU 54 1HD1 LEU 54 5.914 -2.360 -5.039 437 2HD1 LEU 54 2HD1 LEU 54 4.513 -1.792 -5.946 438 3HD1 LEU 54 3HD1 LEU 54 4.930 -1.042 -4.406 439 1HD2 LEU 54 1HD2 LEU 54 8.121 0.399 -5.730 440 2HD2 LEU 54 2HD2 LEU 54 8.152 -1.350 -5.949 441 3HD2 LEU 54 3HD2 LEU 54 7.597 -0.663 -4.423 442 H GLN 55 HN GLN 55 5.832 -1.323 -10.469 443 HA GLN 55 HA GLN 55 5.864 1.258 -11.573 444 1HB GLN 55 HB2 GLN 55 6.490 -1.408 -12.432 445 2HB GLN 55 HB1 GLN 55 5.540 -0.618 -13.682 446 1HG GLN 55 HG2 GLN 55 7.777 0.920 -12.506 447 2HG GLN 55 HG1 GLN 55 8.184 -0.438 -13.554 448 1HE2 GLN 55 1HE2 GLN 55 8.406 2.538 -13.844 449 2HE2 GLN 55 2HE2 GLN 55 7.649 2.884 -15.359 450 H GLU 56 HN GLU 56 3.416 -1.201 -11.348 451 HA GLU 56 HA GLU 56 1.617 0.008 -13.231 452 1HB GLU 56 HB2 GLU 56 1.800 -2.476 -12.283 453 2HB GLU 56 HB1 GLU 56 0.628 -1.855 -11.134 454 1HG GLU 56 HG2 GLU 56 -0.375 -0.994 -13.534 455 2HG GLU 56 HG1 GLU 56 0.307 -2.568 -13.938 456 H GLU 57 HN GLU 57 2.165 0.209 -9.760 457 HA GLU 57 HA GLU 57 -0.212 1.919 -9.561 458 1HB GLU 57 HB2 GLU 57 0.818 -0.138 -7.861 459 2HB GLU 57 HB1 GLU 57 0.725 1.376 -6.968 460 1HG GLU 57 HG2 GLU 57 -1.400 0.771 -6.613 461 2HG GLU 57 HG1 GLU 57 -1.660 1.396 -8.238 462 H VAL 58 HN VAL 58 2.880 2.454 -10.161 463 HA VAL 58 HA VAL 58 2.882 4.946 -8.600 464 HB VAL 58 HB VAL 58 5.434 3.432 -9.126 465 1HG1 VAL 58 1HG1 VAL 58 4.731 5.973 -7.967 466 2HG1 VAL 58 2HG1 VAL 58 6.317 5.335 -8.396 467 3HG1 VAL 58 3HG1 VAL 58 5.622 4.981 -6.815 468 1HG2 VAL 58 1HG2 VAL 58 4.777 3.286 -6.375 469 2HG2 VAL 58 2HG2 VAL 58 4.983 1.963 -7.521 470 3HG2 VAL 58 3HG2 VAL 58 3.393 2.683 -7.282 471 H GLY 59 HN GLY 59 4.261 3.165 -11.333 472 1HA GLY 59 HA2 GLY 59 4.995 3.846 -13.392 473 2HA GLY 59 HA1 GLY 59 3.687 5.004 -13.280 474 H ILE 60 HN ILE 60 6.196 5.356 -10.912 475 HA ILE 60 HA ILE 60 7.428 7.456 -12.553 476 HB ILE 60 HB ILE 60 7.737 8.278 -9.913 477 1HG1 ILE 60 2HG1 ILE 60 4.802 8.123 -10.186 478 2HG1 ILE 60 1HG1 ILE 60 5.623 6.643 -9.707 479 1HG2 ILE 60 1HG2 ILE 60 7.385 9.570 -12.073 480 2HG2 ILE 60 2HG2 ILE 60 6.672 10.245 -10.607 481 3HG2 ILE 60 3HG2 ILE 60 5.658 9.383 -11.766 482 1HD1 ILE 60 1HD1 ILE 60 6.659 7.825 -7.838 483 2HD1 ILE 60 2HD1 ILE 60 4.899 7.886 -7.764 484 3HD1 ILE 60 3HD1 ILE 60 5.808 9.295 -8.307 485 H THR 61 HN THR 61 9.385 8.294 -10.894 486 HA THR 61 HA THR 61 11.008 5.876 -10.437 487 HB THR 61 HB THR 61 12.201 6.911 -12.075 488 HG1 THR 61 HG1 THR 61 13.828 8.238 -11.169 489 1HG2 THR 61 1HG2 THR 61 10.868 9.412 -11.244 490 2HG2 THR 61 2HG2 THR 61 11.016 8.686 -12.843 491 3HG2 THR 61 3HG2 THR 61 12.395 9.514 -12.119 492 HA PRO 62 HA PRO 62 11.047 7.939 -6.391 493 1HB PRO 62 HB2 PRO 62 9.300 6.442 -5.128 494 2HB PRO 62 HB1 PRO 62 8.736 7.420 -6.490 495 1HG PRO 62 HG2 PRO 62 9.178 4.486 -6.335 496 2HG PRO 62 HG1 PRO 62 8.054 5.401 -7.355 497 1HD PRO 62 HD2 PRO 62 10.743 4.469 -7.993 498 2HD PRO 62 HD1 PRO 62 9.545 5.232 -9.058 499 H GLN 63 HN GLN 63 12.266 7.551 -4.587 500 HA GLN 63 HA GLN 63 13.721 5.055 -4.405 501 1HB GLN 63 HB2 GLN 63 13.538 7.477 -2.581 502 2HB GLN 63 HB1 GLN 63 14.531 6.071 -2.221 503 1HG GLN 63 HG2 GLN 63 15.889 6.466 -4.164 504 2HG GLN 63 HG1 GLN 63 14.834 7.782 -4.676 505 1HE2 GLN 63 1HE2 GLN 63 17.520 8.182 -4.392 506 2HE2 GLN 63 2HE2 GLN 63 17.820 9.211 -3.037 507 H HIS 64 HN HIS 64 11.814 3.800 -4.411 508 HA HIS 64 HA HIS 64 10.311 3.797 -1.883 509 1HB HIS 64 HB2 HIS 64 8.821 4.456 -3.580 510 2HB HIS 64 HB1 HIS 64 9.541 3.383 -4.743 511 HD1 HIS 64 HD1 HIS 64 8.678 1.769 -1.541 512 HD2 HIS 64 HD2 HIS 64 6.856 2.479 -5.204 513 HE1 HIS 64 HE1 HIS 64 6.700 0.222 -1.616 514 HE2 HIS 64 HE2 HIS 64 5.548 0.755 -3.791 515 H PHE 65 HN PHE 65 10.571 2.055 -0.665 516 HA PHE 65 HA PHE 65 10.584 -0.587 -1.633 517 1HB PHE 65 HB2 PHE 65 12.905 0.581 -2.236 518 2HB PHE 65 HB1 PHE 65 13.281 0.101 -0.591 519 HD1 PHE 65 HD1 PHE 65 11.272 -1.624 -3.201 520 HD2 PHE 65 HD2 PHE 65 14.762 -1.681 -0.767 521 HE1 PHE 65 HE1 PHE 65 11.789 -3.891 -4.004 522 HE2 PHE 65 HE2 PHE 65 15.285 -3.950 -1.565 523 HZ PHE 65 HZ PHE 65 13.797 -5.056 -3.188 524 H SER 66 HN SER 66 12.694 -1.222 0.522 525 HA SER 66 HA SER 66 12.696 -1.943 2.661 526 1HB SER 66 HB2 SER 66 11.672 0.852 2.810 527 2HB SER 66 HB1 SER 66 11.624 -0.132 4.272 528 HG SER 66 HG SER 66 13.601 1.133 3.871 529 H LEU 67 HN LEU 67 11.338 -2.391 4.635 530 HA LEU 67 HA LEU 67 8.548 -2.935 3.896 531 1HB LEU 67 HB2 LEU 67 9.732 -5.013 3.667 532 2HB LEU 67 HB1 LEU 67 10.508 -4.799 5.224 533 HG LEU 67 HG LEU 67 7.561 -4.853 5.298 534 1HD1 LEU 67 1HD1 LEU 67 8.763 -7.536 5.123 535 2HD1 LEU 67 2HD1 LEU 67 8.602 -6.661 3.599 536 3HD1 LEU 67 3HD1 LEU 67 7.180 -6.959 4.600 537 1HD2 LEU 67 1HD2 LEU 67 9.609 -5.024 7.112 538 2HD2 LEU 67 2HD2 LEU 67 9.111 -6.707 6.935 539 3HD2 LEU 67 3HD2 LEU 67 7.932 -5.483 7.410 540 H PHE 68 HN PHE 68 7.370 -1.678 5.187 541 HA PHE 68 HA PHE 68 8.288 -0.854 7.776 542 1HB PHE 68 HB2 PHE 68 6.973 0.849 7.098 543 2HB PHE 68 HB1 PHE 68 6.123 -0.160 5.938 544 HD1 PHE 68 HD1 PHE 68 4.253 -1.655 6.828 545 HD2 PHE 68 HD2 PHE 68 5.926 1.564 9.047 546 HE1 PHE 68 HE1 PHE 68 2.242 -1.598 8.238 547 HE2 PHE 68 HE2 PHE 68 3.918 1.630 10.467 548 HZ PHE 68 HZ PHE 68 2.069 0.051 10.063 549 H GLU 69 HN GLU 69 5.721 -2.958 6.552 550 HA GLU 69 HA GLU 69 5.928 -4.783 8.698 551 1HB GLU 69 HB2 GLU 69 4.584 -2.602 9.525 552 2HB GLU 69 HB1 GLU 69 3.253 -3.502 8.810 553 1HG GLU 69 HG2 GLU 69 3.366 -5.177 10.360 554 2HG GLU 69 HG1 GLU 69 5.079 -4.914 10.682 555 H LYS 70 HN LYS 70 4.462 -6.585 8.455 556 HA LYS 70 HA LYS 70 2.810 -6.568 6.046 557 1HB LYS 70 HB2 LYS 70 3.809 -8.694 5.257 558 2HB LYS 70 HB1 LYS 70 4.953 -7.358 5.232 559 1HG LYS 70 HG2 LYS 70 6.354 -8.439 6.564 560 2HG LYS 70 HG1 LYS 70 5.082 -8.753 7.746 561 1HD LYS 70 HD2 LYS 70 4.379 -10.544 5.895 562 2HD LYS 70 HD1 LYS 70 6.108 -10.460 5.551 563 1HE LYS 70 HE2 LYS 70 4.922 -10.977 8.274 564 2HE LYS 70 HE1 LYS 70 5.502 -12.232 7.180 565 1HZ LYS 70 HZ1 LYS 70 7.672 -10.860 7.231 566 2HZ LYS 70 HZ2 LYS 70 7.308 -11.870 8.537 567 3HZ LYS 70 HZ3 LYS 70 7.042 -10.205 8.658 568 H LEU 71 HN LEU 71 0.958 -7.712 6.325 569 HA LEU 71 HA LEU 71 0.868 -9.687 8.494 570 1HB LEU 71 HB2 LEU 71 -1.084 -8.839 9.442 571 2HB LEU 71 HB1 LEU 71 -0.099 -7.423 9.151 572 HG LEU 71 HG LEU 71 -2.268 -6.784 8.546 573 1HD1 LEU 71 1HD1 LEU 71 -0.399 -6.415 6.818 574 2HD1 LEU 71 2HD1 LEU 71 -2.071 -6.139 6.333 575 3HD1 LEU 71 3HD1 LEU 71 -1.254 -7.628 5.866 576 1HD2 LEU 71 1HD2 LEU 71 -3.892 -8.117 7.751 577 2HD2 LEU 71 2HD2 LEU 71 -2.823 -9.412 8.289 578 3HD2 LEU 71 3HD2 LEU 71 -2.822 -8.913 6.597 579 H GLU 72 HN GLU 72 -0.917 -11.224 8.326 580 HA GLU 72 HA GLU 72 -2.076 -11.451 5.650 581 1HB GLU 72 HB2 GLU 72 -0.273 -12.852 5.280 582 2HB GLU 72 HB1 GLU 72 -0.191 -13.365 6.958 583 1HG GLU 72 HG2 GLU 72 -1.893 -14.916 6.700 584 2HG GLU 72 HG1 GLU 72 -2.499 -14.152 5.232 585 H TYR 73 HN TYR 73 -4.149 -11.996 5.709 586 HA TYR 73 HA TYR 73 -5.191 -13.560 7.950 587 1HB TYR 73 HB2 TYR 73 -7.067 -12.031 8.283 588 2HB TYR 73 HB1 TYR 73 -5.544 -11.191 8.550 589 HD1 TYR 73 HD1 TYR 73 -4.586 -9.973 6.392 590 HD2 TYR 73 HD2 TYR 73 -8.674 -10.988 6.996 591 HE1 TYR 73 HE1 TYR 73 -5.249 -8.248 4.768 592 HE2 TYR 73 HE2 TYR 73 -9.347 -9.268 5.373 593 HH TYR 73 HH TYR 73 -7.605 -6.820 4.459 594 H GLU 74 HN GLU 74 -7.063 -14.754 7.454 595 HA GLU 74 HA GLU 74 -7.791 -14.734 4.599 596 1HB GLU 74 HB2 GLU 74 -8.318 -17.224 5.005 597 2HB GLU 74 HB1 GLU 74 -6.637 -16.744 4.822 598 1HG GLU 74 HG2 GLU 74 -6.627 -16.610 7.391 599 2HG GLU 74 HG1 GLU 74 -8.105 -17.564 7.294 600 H PHE 75 HN PHE 75 -9.850 -14.606 4.089 601 HA PHE 75 HA PHE 75 -11.812 -14.221 6.158 602 1HB PHE 75 HB2 PHE 75 -11.566 -13.683 3.272 603 2HB PHE 75 HB1 PHE 75 -13.184 -14.096 3.804 604 HD1 PHE 75 HD1 PHE 75 -13.060 -12.829 6.556 605 HD2 PHE 75 HD2 PHE 75 -11.848 -11.434 2.721 606 HE1 PHE 75 HE1 PHE 75 -13.382 -10.510 7.301 607 HE2 PHE 75 HE2 PHE 75 -12.168 -9.111 3.463 608 HZ PHE 75 HZ PHE 75 -12.936 -8.647 5.756 609 HA PRO 76 HA PRO 76 -13.912 -18.086 6.327 610 1HB PRO 76 HB2 PRO 76 -16.428 -17.422 5.261 611 2HB PRO 76 HB1 PRO 76 -15.955 -17.350 6.960 612 1HG PRO 76 HG2 PRO 76 -16.070 -15.176 4.929 613 2HG PRO 76 HG1 PRO 76 -16.416 -15.114 6.669 614 1HD PRO 76 HD2 PRO 76 -14.143 -14.129 5.665 615 2HD PRO 76 HD1 PRO 76 -14.161 -14.964 7.231 616 H ASP 77 HN ASP 77 -12.488 -18.839 4.635 617 HA ASP 77 HA ASP 77 -12.421 -20.413 2.921 618 1HB ASP 77 HB2 ASP 77 -15.049 -20.119 2.872 619 2HB ASP 77 HB1 ASP 77 -14.692 -19.176 1.429 620 H ARG 78 HN ARG 78 -11.590 -17.453 3.125 621 HA ARG 78 HA ARG 78 -10.550 -17.314 0.391 622 1HB ARG 78 HB2 ARG 78 -12.586 -15.728 0.984 623 2HB ARG 78 HB1 ARG 78 -11.321 -14.761 1.727 624 1HG ARG 78 HG2 ARG 78 -10.638 -13.993 -0.239 625 2HG ARG 78 HG1 ARG 78 -10.559 -15.618 -0.922 626 1HD ARG 78 HD2 ARG 78 -12.865 -15.565 -1.515 627 2HD ARG 78 HD1 ARG 78 -13.131 -14.086 -0.594 628 HE ARG 78 HE ARG 78 -11.188 -13.765 -2.671 629 1HH1 ARG 78 1HH1 ARG 78 -14.608 -13.802 -1.978 630 2HH1 ARG 78 2HH1 ARG 78 -15.020 -12.800 -3.329 631 1HH2 ARG 78 1HH2 ARG 78 -11.728 -12.447 -4.450 632 2HH2 ARG 78 2HH2 ARG 78 -13.385 -12.032 -4.733 633 H HIS 79 HN HIS 79 -8.528 -16.263 0.195 634 HA HIS 79 HA HIS 79 -7.145 -15.789 2.753 635 1HB HIS 79 HB2 HIS 79 -6.472 -17.548 0.515 636 2HB HIS 79 HB1 HIS 79 -5.152 -16.473 0.962 637 HD1 HIS 79 HD1 HIS 79 -4.080 -16.815 3.289 638 HD2 HIS 79 HD2 HIS 79 -7.109 -19.515 2.398 639 HE1 HIS 79 HE1 HIS 79 -3.894 -18.630 5.020 640 HE2 HIS 79 HE2 HIS 79 -5.678 -20.298 4.405 641 H ILE 80 HN ILE 80 -6.607 -13.717 2.973 642 HA ILE 80 HA ILE 80 -5.811 -12.214 0.575 643 HB ILE 80 HB ILE 80 -7.856 -11.239 1.175 644 1HG1 ILE 80 2HG1 ILE 80 -6.098 -9.495 2.847 645 2HG1 ILE 80 1HG1 ILE 80 -5.714 -9.715 1.144 646 1HG2 ILE 80 1HG2 ILE 80 -8.071 -12.429 3.337 647 2HG2 ILE 80 2HG2 ILE 80 -8.576 -10.742 3.416 648 3HG2 ILE 80 3HG2 ILE 80 -7.010 -11.225 4.067 649 1HD1 ILE 80 1HD1 ILE 80 -7.851 -8.828 0.498 650 2HD1 ILE 80 2HD1 ILE 80 -7.060 -7.700 1.598 651 3HD1 ILE 80 3HD1 ILE 80 -8.362 -8.735 2.184 652 H THR 81 HN THR 81 -3.762 -11.577 0.621 653 HA THR 81 HA THR 81 -2.404 -11.358 3.223 654 HB THR 81 HB THR 81 -0.560 -11.334 1.027 655 HG1 THR 81 HG1 THR 81 -2.408 -13.485 1.004 656 1HG2 THR 81 1HG2 THR 81 0.065 -13.593 2.033 657 2HG2 THR 81 2HG2 THR 81 -1.142 -13.228 3.266 658 3HG2 THR 81 3HG2 THR 81 0.241 -12.158 3.043 659 H LEU 82 HN LEU 82 -1.487 -9.468 3.846 660 HA LEU 82 HA LEU 82 -1.453 -7.266 1.888 661 1HB LEU 82 HB2 LEU 82 -2.717 -7.446 4.532 662 2HB LEU 82 HB1 LEU 82 -1.771 -5.992 4.281 663 HG LEU 82 HG LEU 82 -4.027 -6.918 2.503 664 1HD1 LEU 82 1HD1 LEU 82 -4.811 -6.213 4.703 665 2HD1 LEU 82 2HD1 LEU 82 -5.270 -5.051 3.459 666 3HD1 LEU 82 3HD1 LEU 82 -3.922 -4.699 4.541 667 1HD2 LEU 82 1HD2 LEU 82 -2.020 -4.757 2.323 668 2HD2 LEU 82 2HD2 LEU 82 -3.682 -4.329 1.917 669 3HD2 LEU 82 3HD2 LEU 82 -2.869 -5.629 1.047 670 H TRP 83 HN TRP 83 0.580 -6.689 1.505 671 HA TRP 83 HA TRP 83 2.538 -6.835 3.701 672 1HB TRP 83 HB2 TRP 83 2.977 -6.834 0.705 673 2HB TRP 83 HB1 TRP 83 4.264 -6.823 1.904 674 HD1 TRP 83 HD1 TRP 83 1.178 -9.049 2.309 675 HE1 TRP 83 HE1 TRP 83 1.907 -11.504 2.160 676 HE3 TRP 83 HE3 TRP 83 6.057 -8.354 0.968 677 HZ2 TRP 83 HZ2 TRP 83 4.250 -12.964 1.555 678 HZ3 TRP 83 HZ3 TRP 83 7.477 -10.333 0.623 679 HH2 TRP 83 HH2 TRP 83 6.591 -12.590 0.911 680 H PHE 84 HN PHE 84 3.182 -4.959 4.545 681 HA PHE 84 HA PHE 84 2.714 -2.522 2.977 682 1HB PHE 84 HB2 PHE 84 2.755 -3.053 5.918 683 2HB PHE 84 HB1 PHE 84 3.154 -1.443 5.337 684 HD1 PHE 84 HD1 PHE 84 1.225 -0.550 6.557 685 HD2 PHE 84 HD2 PHE 84 0.759 -3.430 3.455 686 HE1 PHE 84 HE1 PHE 84 -1.170 -0.010 6.417 687 HE2 PHE 84 HE2 PHE 84 -1.636 -2.893 3.312 688 HZ PHE 84 HZ PHE 84 -2.604 -1.180 4.792 689 H TRP 85 HN TRP 85 4.383 -1.531 2.084 690 HA TRP 85 HA TRP 85 7.083 -2.091 3.105 691 1HB TRP 85 HB2 TRP 85 6.165 -1.224 0.360 692 2HB TRP 85 HB1 TRP 85 7.852 -1.396 0.833 693 HD1 TRP 85 HD1 TRP 85 4.751 -3.736 1.097 694 HE1 TRP 85 HE1 TRP 85 5.463 -6.073 0.286 695 HE3 TRP 85 HE3 TRP 85 9.634 -2.746 -0.049 696 HZ2 TRP 85 HZ2 TRP 85 7.786 -7.330 -0.709 697 HZ3 TRP 85 HZ3 TRP 85 11.033 -4.571 -0.924 698 HH2 TRP 85 HH2 TRP 85 10.127 -6.815 -1.246 699 H LEU 86 HN LEU 86 8.609 -0.410 3.340 700 HA LEU 86 HA LEU 86 7.379 2.182 3.878 701 1HB LEU 86 HB2 LEU 86 8.703 1.250 5.648 702 2HB LEU 86 HB1 LEU 86 10.076 1.045 4.580 703 HG LEU 86 HG LEU 86 10.146 3.557 4.346 704 1HD1 LEU 86 1HD1 LEU 86 7.690 3.571 5.390 705 2HD1 LEU 86 2HD1 LEU 86 8.796 4.937 5.528 706 3HD1 LEU 86 3HD1 LEU 86 8.623 3.803 6.869 707 1HD2 LEU 86 1HD2 LEU 86 10.610 2.198 6.985 708 2HD2 LEU 86 2HD2 LEU 86 11.085 3.869 6.684 709 3HD2 LEU 86 3HD2 LEU 86 11.780 2.567 5.719 710 H VAL 87 HN VAL 87 7.220 3.368 2.123 711 HA VAL 87 HA VAL 87 9.283 3.491 0.080 712 HB VAL 87 HB VAL 87 6.796 5.121 0.288 713 1HG1 VAL 87 1HG1 VAL 87 7.332 4.514 -2.370 714 2HG1 VAL 87 2HG1 VAL 87 8.898 4.897 -1.656 715 3HG1 VAL 87 3HG1 VAL 87 7.576 6.057 -1.557 716 1HG2 VAL 87 1HG2 VAL 87 6.192 3.124 -1.485 717 2HG2 VAL 87 2HG2 VAL 87 5.695 3.151 0.206 718 3HG2 VAL 87 3HG2 VAL 87 7.145 2.263 -0.273 719 H GLU 88 HN GLU 88 10.488 5.330 -0.448 720 HA GLU 88 HA GLU 88 10.530 7.264 1.730 721 1HB GLU 88 HB2 GLU 88 12.602 5.944 1.041 722 2HB GLU 88 HB1 GLU 88 12.674 7.009 -0.356 723 1HG GLU 88 HG2 GLU 88 13.354 8.789 0.858 724 2HG GLU 88 HG1 GLU 88 12.434 8.309 2.283 725 H ARG 89 HN ARG 89 10.855 7.462 -1.882 726 HA ARG 89 HA ARG 89 9.251 9.847 -1.890 727 1HB ARG 89 HB2 ARG 89 11.088 11.282 -2.868 728 2HB ARG 89 HB1 ARG 89 11.198 10.949 -1.144 729 1HG ARG 89 HG2 ARG 89 12.995 9.507 -1.406 730 2HG ARG 89 HG1 ARG 89 12.656 9.239 -3.117 731 1HD ARG 89 HD2 ARG 89 13.413 11.957 -2.109 732 2HD ARG 89 HD1 ARG 89 14.647 10.747 -2.450 733 HE ARG 89 HE ARG 89 14.127 10.873 -4.725 734 1HH1 ARG 89 1HH1 ARG 89 12.084 12.993 -2.838 735 2HH1 ARG 89 2HH1 ARG 89 11.553 13.900 -4.213 736 1HH2 ARG 89 1HH2 ARG 89 13.423 12.067 -6.524 737 2HH2 ARG 89 2HH2 ARG 89 12.310 13.375 -6.302 738 H TRP 90 HN TRP 90 9.106 10.882 -4.080 739 HA TRP 90 HA TRP 90 9.705 8.980 -6.227 740 1HB TRP 90 HB2 TRP 90 7.562 9.533 -7.309 741 2HB TRP 90 HB1 TRP 90 7.363 8.705 -5.771 742 HD1 TRP 90 HD1 TRP 90 6.798 12.106 -7.439 743 HE1 TRP 90 HE1 TRP 90 5.176 13.464 -5.969 744 HE3 TRP 90 HE3 TRP 90 6.612 9.018 -3.394 745 HZ2 TRP 90 HZ2 TRP 90 3.973 13.239 -3.420 746 HZ3 TRP 90 HZ3 TRP 90 5.199 9.644 -1.478 747 HH2 TRP 90 HH2 TRP 90 3.906 11.715 -1.492 748 H GLU 91 HN GLU 91 10.395 9.789 -8.183 749 HA GLU 91 HA GLU 91 11.047 12.642 -8.140 750 1HB GLU 91 HB2 GLU 91 12.813 10.988 -8.675 751 2HB GLU 91 HB1 GLU 91 11.896 10.491 -10.088 752 1HG GLU 91 HG2 GLU 91 12.649 13.354 -9.780 753 2HG GLU 91 HG1 GLU 91 13.865 12.188 -10.297 754 H GLY 92 HN GLY 92 8.956 13.468 -8.524 755 1HA GLY 92 HA2 GLY 92 8.098 14.566 -10.649 756 2HA GLY 92 HA1 GLY 92 7.872 12.917 -11.214 757 H GLU 93 HN GLU 93 5.852 12.225 -11.082 758 HA GLU 93 HA GLU 93 4.233 13.022 -8.769 759 1HB GLU 93 HB2 GLU 93 3.799 14.279 -11.049 760 2HB GLU 93 HB1 GLU 93 2.916 12.810 -11.440 761 1HG GLU 93 HG2 GLU 93 1.584 13.127 -9.371 762 2HG GLU 93 HG1 GLU 93 2.401 14.671 -9.135 763 HA PRO 94 HA PRO 94 3.486 8.614 -8.832 764 1HB PRO 94 HB2 PRO 94 1.593 8.955 -6.677 765 2HB PRO 94 HB1 PRO 94 3.227 8.294 -6.604 766 1HG PRO 94 HG2 PRO 94 2.498 10.666 -5.458 767 2HG PRO 94 HG1 PRO 94 4.146 10.296 -5.997 768 1HD PRO 94 HD2 PRO 94 2.012 11.891 -7.373 769 2HD PRO 94 HD1 PRO 94 3.754 12.223 -7.230 770 H TRP 95 HN TRP 95 2.126 7.503 -10.107 771 HA TRP 95 HA TRP 95 -0.687 8.257 -10.089 772 1HB TRP 95 HB2 TRP 95 -0.721 8.033 -12.624 773 2HB TRP 95 HB1 TRP 95 0.007 9.495 -11.973 774 HD1 TRP 95 HD1 TRP 95 2.600 9.829 -12.332 775 HE1 TRP 95 HE1 TRP 95 4.292 8.777 -13.959 776 HE3 TRP 95 HE3 TRP 95 -0.080 5.710 -13.714 777 HZ2 TRP 95 HZ2 TRP 95 4.454 6.506 -15.621 778 HZ3 TRP 95 HZ3 TRP 95 0.910 4.152 -15.336 779 HH2 TRP 95 HH2 TRP 95 3.136 4.535 -16.260 780 H GLY 96 HN GLY 96 1.573 6.078 -11.744 781 1HA GLY 96 HA2 GLY 96 1.330 3.863 -12.362 782 2HA GLY 96 HA1 GLY 96 0.861 3.682 -10.686 783 H LYS 97 HN LYS 97 -1.261 3.361 -10.146 784 HA LYS 97 HA LYS 97 -3.520 3.831 -11.651 785 1HB LYS 97 HB2 LYS 97 -2.008 1.819 -12.878 786 2HB LYS 97 HB1 LYS 97 -3.295 0.963 -12.043 787 1HG LYS 97 HG2 LYS 97 -4.917 2.526 -13.159 788 2HG LYS 97 HG1 LYS 97 -3.564 3.103 -14.135 789 1HD LYS 97 HD2 LYS 97 -4.010 0.170 -13.989 790 2HD LYS 97 HD1 LYS 97 -5.150 1.126 -14.939 791 1HE LYS 97 HE2 LYS 97 -3.639 1.554 -16.550 792 2HE LYS 97 HE1 LYS 97 -2.323 1.770 -15.397 793 1HZ LYS 97 HZ1 LYS 97 -1.719 -0.378 -15.549 794 2HZ LYS 97 HZ2 LYS 97 -2.497 -0.299 -17.049 795 3HZ LYS 97 HZ3 LYS 97 -3.305 -0.946 -15.712 796 H GLU 98 HN GLU 98 -2.737 3.790 -8.947 797 HA GLU 98 HA GLU 98 -3.556 1.547 -7.496 798 1HB GLU 98 HB2 GLU 98 -3.959 3.231 -5.630 799 2HB GLU 98 HB1 GLU 98 -2.344 3.194 -6.323 800 1HG GLU 98 HG2 GLU 98 -2.507 5.382 -6.590 801 2HG GLU 98 HG1 GLU 98 -3.705 5.074 -7.843 802 H GLY 99 HN GLY 99 -5.430 4.422 -8.475 803 1HA GLY 99 HA2 GLY 99 -7.742 3.563 -9.262 804 2HA GLY 99 HA1 GLY 99 -7.869 3.034 -7.594 805 H GLN 100 HN GLN 100 -7.252 4.940 -6.001 806 HA GLN 100 HA GLN 100 -8.870 7.246 -6.864 807 1HB GLN 100 HB2 GLN 100 -9.025 7.562 -4.273 808 2HB GLN 100 HB1 GLN 100 -10.038 6.371 -5.076 809 1HG GLN 100 HG2 GLN 100 -7.402 5.475 -4.064 810 2HG GLN 100 HG1 GLN 100 -8.663 5.825 -2.882 811 1HE2 GLN 100 1HE2 GLN 100 -9.480 3.967 -2.234 812 2HE2 GLN 100 2HE2 GLN 100 -9.967 2.660 -3.254 813 HA PRO 101 HA PRO 101 -4.735 9.208 -6.957 814 1HB PRO 101 HB2 PRO 101 -6.769 11.324 -7.568 815 2HB PRO 101 HB1 PRO 101 -5.172 11.074 -8.289 816 1HG PRO 101 HG2 PRO 101 -7.325 10.287 -9.590 817 2HG PRO 101 HG1 PRO 101 -5.898 9.233 -9.536 818 1HD PRO 101 HD2 PRO 101 -8.484 8.998 -8.075 819 2HD PRO 101 HD1 PRO 101 -7.406 7.724 -8.680 820 H GLY 102 HN GLY 102 -3.797 9.916 -5.147 821 1HA GLY 102 HA2 GLY 102 -5.441 11.410 -3.198 822 2HA GLY 102 HA1 GLY 102 -4.117 10.346 -2.753 823 H GLU 103 HN GLU 103 -3.928 12.659 -1.610 824 HA GLU 103 HA GLU 103 -2.005 14.211 -3.217 825 1HB GLU 103 HB2 GLU 103 -4.115 15.439 -2.713 826 2HB GLU 103 HB1 GLU 103 -3.774 15.257 -0.997 827 1HG GLU 103 HG2 GLU 103 -1.678 16.522 -1.317 828 2HG GLU 103 HG1 GLU 103 -2.121 16.772 -3.004 829 H TRP 104 HN TRP 104 -0.245 15.209 -2.006 830 HA TRP 104 HA TRP 104 1.012 13.413 -0.247 831 1HB TRP 104 HB2 TRP 104 1.735 16.334 -0.317 832 2HB TRP 104 HB1 TRP 104 2.797 14.938 -0.159 833 HD1 TRP 104 HD1 TRP 104 1.411 13.438 -2.775 834 HE1 TRP 104 HE1 TRP 104 2.163 14.240 -5.103 835 HE3 TRP 104 HE3 TRP 104 3.280 18.021 -1.492 836 HZ2 TRP 104 HZ2 TRP 104 3.387 16.515 -6.244 837 HZ3 TRP 104 HZ3 TRP 104 4.222 19.448 -3.260 838 HH2 TRP 104 HH2 TRP 104 4.274 18.709 -5.586 839 H MET 105 HN MET 105 0.190 12.914 1.675 840 HA MET 105 HA MET 105 -0.626 15.118 3.458 841 1HB MET 105 HB2 MET 105 -2.099 13.388 4.579 842 2HB MET 105 HB1 MET 105 -2.604 13.914 2.980 843 1HG MET 105 HG2 MET 105 -1.258 11.822 2.187 844 2HG MET 105 HG1 MET 105 -1.493 11.294 3.850 845 1HE MET 105 HE1 MET 105 -3.288 13.274 1.256 846 2HE MET 105 HE2 MET 105 -4.946 12.674 1.242 847 3HE MET 105 HE3 MET 105 -3.697 11.837 0.319 848 H SER 106 HN SER 106 -0.400 14.619 5.799 849 HA SER 106 HA SER 106 2.212 13.468 6.289 850 1HB SER 106 HB2 SER 106 1.381 14.184 8.749 851 2HB SER 106 HB1 SER 106 2.079 15.329 7.604 852 HG SER 106 HG SER 106 -0.698 14.809 7.866 853 H LEU 107 HN LEU 107 2.642 11.543 7.191 854 HA LEU 107 HA LEU 107 0.496 9.672 7.557 855 1HB LEU 107 HB2 LEU 107 3.012 9.354 6.764 856 2HB LEU 107 HB1 LEU 107 3.259 9.059 8.475 857 HG LEU 107 HG LEU 107 2.941 6.973 7.229 858 1HD1 LEU 107 1HD1 LEU 107 0.461 7.272 8.848 859 2HD1 LEU 107 2HD1 LEU 107 2.032 7.459 9.627 860 3HD1 LEU 107 3HD1 LEU 107 1.628 5.951 8.805 861 1HD2 LEU 107 1HD2 LEU 107 1.271 6.589 5.778 862 2HD2 LEU 107 2HD2 LEU 107 1.130 8.346 5.739 863 3HD2 LEU 107 3HD2 LEU 107 0.072 7.400 6.786 864 H VAL 108 HN VAL 108 2.179 11.845 9.598 865 HA VAL 108 HA VAL 108 2.070 10.503 12.051 866 HB VAL 108 HB VAL 108 3.368 12.554 11.715 867 1HG1 VAL 108 1HG1 VAL 108 0.727 13.635 11.047 868 2HG1 VAL 108 2HG1 VAL 108 2.331 14.155 10.534 869 3HG1 VAL 108 3HG1 VAL 108 1.697 14.667 12.098 870 1HG2 VAL 108 1HG2 VAL 108 3.240 13.176 13.890 871 2HG2 VAL 108 2HG2 VAL 108 2.187 11.763 13.983 872 3HG2 VAL 108 3HG2 VAL 108 1.489 13.377 13.846 873 H GLY 109 HN GLY 109 -0.496 11.667 10.137 874 1HA GLY 109 HA2 GLY 109 -2.286 11.610 12.486 875 2HA GLY 109 HA1 GLY 109 -2.557 12.644 11.094 876 H LEU 110 HN LEU 110 -1.576 9.243 11.064 877 HA LEU 110 HA LEU 110 -3.587 8.575 9.162 878 1HB LEU 110 HB2 LEU 110 -1.245 7.493 9.716 879 2HB LEU 110 HB1 LEU 110 -2.200 6.501 10.797 880 HG LEU 110 HG LEU 110 -3.475 5.604 8.975 881 1HD1 LEU 110 1HD1 LEU 110 -3.831 7.429 7.542 882 2HD1 LEU 110 2HD1 LEU 110 -2.847 6.300 6.609 883 3HD1 LEU 110 3HD1 LEU 110 -2.102 7.719 7.344 884 1HD2 LEU 110 1HD2 LEU 110 -1.263 4.616 9.397 885 2HD2 LEU 110 2HD2 LEU 110 -0.566 5.694 8.189 886 3HD2 LEU 110 3HD2 LEU 110 -1.747 4.476 7.707 887 H ASN 111 HN ASN 111 -5.531 7.508 9.432 888 HA ASN 111 HA ASN 111 -6.372 7.058 12.215 889 1HB ASN 111 HB2 ASN 111 -7.449 8.846 10.282 890 2HB ASN 111 HB1 ASN 111 -8.644 7.591 10.588 891 1HD2 ASN 111 1HD2 ASN 111 -8.752 10.392 11.276 892 2HD2 ASN 111 2HD2 ASN 111 -8.922 10.473 12.993 893 H ALA 112 HN ALA 112 -7.345 5.204 12.722 894 HA ALA 112 HA ALA 112 -7.327 3.057 10.844 895 1HB ALA 112 HB1 ALA 112 -8.729 2.906 13.485 896 2HB ALA 112 HB2 ALA 112 -6.970 2.978 13.408 897 3HB ALA 112 HB3 ALA 112 -7.833 1.654 12.623 898 H ASP 113 HN ASP 113 -9.588 5.478 11.619 899 HA ASP 113 HA ASP 113 -11.956 3.972 11.018 900 1HB ASP 113 HB2 ASP 113 -12.583 6.687 10.749 901 2HB ASP 113 HB1 ASP 113 -12.862 5.670 12.154 902 H ASP 114 HN ASP 114 -10.100 6.493 9.320 903 HA ASP 114 HA ASP 114 -11.718 6.473 6.998 904 1HB ASP 114 HB2 ASP 114 -9.123 7.304 6.247 905 2HB ASP 114 HB1 ASP 114 -10.526 8.305 6.566 906 H PHE 115 HN PHE 115 -8.779 4.743 7.872 907 HA PHE 115 HA PHE 115 -8.474 3.552 5.272 908 1HB PHE 115 HB2 PHE 115 -6.446 2.871 6.053 909 2HB PHE 115 HB1 PHE 115 -6.777 3.992 7.373 910 HD1 PHE 115 HD1 PHE 115 -8.667 2.647 8.998 911 HD2 PHE 115 HD2 PHE 115 -5.350 1.024 6.911 912 HE1 PHE 115 HE1 PHE 115 -8.567 0.801 10.621 913 HE2 PHE 115 HE2 PHE 115 -5.239 -0.823 8.522 914 HZ PHE 115 HZ PHE 115 -6.852 -0.938 10.375 915 HA PRO 116 HA PRO 116 -10.839 -0.150 5.846 916 1HB PRO 116 HB2 PRO 116 -9.238 -2.189 5.096 917 2HB PRO 116 HB1 PRO 116 -9.856 -1.004 3.940 918 1HG PRO 116 HG2 PRO 116 -7.166 -1.163 5.238 919 2HG PRO 116 HG1 PRO 116 -7.578 -0.780 3.556 920 1HD PRO 116 HD2 PRO 116 -6.967 1.112 5.424 921 2HD PRO 116 HD1 PRO 116 -8.030 1.417 4.039 922 HA PRO 117 HA PRO 117 -9.916 -1.351 10.076 923 1HB PRO 117 HB2 PRO 117 -11.953 -3.200 10.284 924 2HB PRO 117 HB1 PRO 117 -12.138 -1.464 10.547 925 1HG PRO 117 HG2 PRO 117 -12.750 -3.088 8.113 926 2HG PRO 117 HG1 PRO 117 -13.673 -1.757 8.835 927 1HD PRO 117 HD2 PRO 117 -12.148 -1.382 6.665 928 2HD PRO 117 HD1 PRO 117 -12.287 -0.136 7.923 929 H ALA 118 HN ALA 118 -9.890 -3.407 7.318 930 HA ALA 118 HA ALA 118 -9.302 -5.868 8.560 931 1HB ALA 118 HB1 ALA 118 -8.588 -4.899 5.799 932 2HB ALA 118 HB2 ALA 118 -10.066 -5.741 6.264 933 3HB ALA 118 HB3 ALA 118 -8.513 -6.572 6.350 934 H ASN 119 HN ASN 119 -7.419 -3.064 8.409 935 HA ASN 119 HA ASN 119 -5.011 -4.648 9.004 936 1HB ASN 119 HB2 ASN 119 -5.421 -2.770 6.857 937 2HB ASN 119 HB1 ASN 119 -4.143 -2.192 7.920 938 1HD2 ASN 119 1HD2 ASN 119 -2.320 -2.631 6.895 939 2HD2 ASN 119 2HD2 ASN 119 -1.867 -4.173 6.263 940 H GLU 120 HN GLU 120 -6.828 -3.617 10.931 941 HA GLU 120 HA GLU 120 -5.884 -1.138 11.970 942 1HB GLU 120 HB2 GLU 120 -8.006 -2.921 12.534 943 2HB GLU 120 HB1 GLU 120 -7.096 -2.720 14.024 944 1HG GLU 120 HG2 GLU 120 -7.405 -0.365 13.989 945 2HG GLU 120 HG1 GLU 120 -8.073 -0.419 12.359 946 HA PRO 121 HA PRO 121 -3.605 -4.187 15.128 947 1HB PRO 121 HB2 PRO 121 -2.861 -6.203 13.067 948 2HB PRO 121 HB1 PRO 121 -3.260 -6.434 14.774 949 1HG PRO 121 HG2 PRO 121 -5.007 -7.088 12.877 950 2HG PRO 121 HG1 PRO 121 -5.547 -6.334 14.389 951 1HD PRO 121 HD2 PRO 121 -5.236 -5.128 11.673 952 2HD PRO 121 HD1 PRO 121 -6.475 -4.824 12.907 953 H VAL 122 HN VAL 122 -2.753 -3.969 11.704 954 HA VAL 122 HA VAL 122 0.058 -3.668 12.182 955 HB VAL 122 HB VAL 122 -1.325 -2.888 9.631 956 1HG1 VAL 122 1HG1 VAL 122 1.087 -2.451 9.878 957 2HG1 VAL 122 2HG1 VAL 122 0.738 -3.614 8.599 958 3HG1 VAL 122 3HG1 VAL 122 1.352 -4.171 10.157 959 1HG2 VAL 122 1HG2 VAL 122 -0.617 -5.481 9.199 960 2HG2 VAL 122 2HG2 VAL 122 -2.250 -4.929 9.575 961 3HG2 VAL 122 3HG2 VAL 122 -1.209 -5.545 10.859 962 H ILE 123 HN ILE 123 -2.526 -1.502 11.051 963 HA ILE 123 HA ILE 123 -0.901 0.819 11.017 964 HB ILE 123 HB ILE 123 -3.881 0.413 10.975 965 1HG1 ILE 123 2HG1 ILE 123 -1.927 0.205 9.026 966 2HG1 ILE 123 1HG1 ILE 123 -3.648 0.403 8.738 967 1HG2 ILE 123 1HG2 ILE 123 -2.379 3.024 10.945 968 2HG2 ILE 123 2HG2 ILE 123 -3.594 2.499 12.111 969 3HG2 ILE 123 3HG2 ILE 123 -4.061 2.846 10.446 970 1HD1 ILE 123 1HD1 ILE 123 -2.374 1.975 7.422 971 2HD1 ILE 123 2HD1 ILE 123 -1.604 2.603 8.880 972 3HD1 ILE 123 3HD1 ILE 123 -3.338 2.829 8.629 973 H ALA 124 HN ALA 124 -2.807 -0.753 13.478 974 HA ALA 124 HA ALA 124 -3.167 1.319 15.291 975 1HB ALA 124 HB1 ALA 124 -4.273 -0.654 15.824 976 2HB ALA 124 HB2 ALA 124 -2.986 -0.585 17.029 977 3HB ALA 124 HB3 ALA 124 -2.824 -1.638 15.624 978 H LYS 125 HN LYS 125 -0.310 -0.483 14.458 979 HA LYS 125 HA LYS 125 1.223 0.312 16.747 980 1HB LYS 125 HB2 LYS 125 1.540 -1.473 14.580 981 2HB LYS 125 HB1 LYS 125 2.881 -0.340 14.491 982 1HG LYS 125 HG2 LYS 125 3.854 -1.136 16.354 983 2HG LYS 125 HG1 LYS 125 2.313 -1.414 17.169 984 1HD LYS 125 HD2 LYS 125 2.147 -3.539 16.412 985 2HD LYS 125 HD1 LYS 125 2.871 -3.150 14.850 986 1HE LYS 125 HE2 LYS 125 4.683 -4.220 15.598 987 2HE LYS 125 HE1 LYS 125 4.960 -2.799 16.604 988 1HZ LYS 125 HZ1 LYS 125 3.208 -4.957 17.572 989 2HZ LYS 125 HZ2 LYS 125 4.116 -3.838 18.458 990 3HZ LYS 125 HZ3 LYS 125 4.889 -5.127 17.683 991 H LEU 126 HN LEU 126 1.147 1.360 13.345 992 HA LEU 126 HA LEU 126 3.018 3.490 13.800 993 1HB LEU 126 HB2 LEU 126 2.413 2.133 11.612 994 2HB LEU 126 HB1 LEU 126 1.246 3.424 11.407 995 HG LEU 126 HG LEU 126 3.098 5.074 11.527 996 1HD1 LEU 126 1HD1 LEU 126 5.381 3.783 10.972 997 2HD1 LEU 126 2HD1 LEU 126 4.633 2.611 12.057 998 3HD1 LEU 126 3HD1 LEU 126 4.909 4.265 12.601 999 1HD2 LEU 126 1HD2 LEU 126 4.061 3.380 9.363 1000 2HD2 LEU 126 2HD2 LEU 126 3.290 4.965 9.306 1001 3HD2 LEU 126 3HD2 LEU 126 2.303 3.507 9.411 1002 H LYS 127 HN LYS 127 -0.434 3.133 13.840 1003 HA LYS 127 HA LYS 127 -1.251 5.771 13.440 1004 1HB LYS 127 HB2 LYS 127 -2.731 3.797 13.542 1005 2HB LYS 127 HB1 LYS 127 -2.495 3.726 15.277 1006 1HG LYS 127 HG2 LYS 127 -3.692 5.684 15.648 1007 2HG LYS 127 HG1 LYS 127 -3.556 6.197 13.966 1008 1HD LYS 127 HD2 LYS 127 -5.654 5.405 13.790 1009 2HD LYS 127 HD1 LYS 127 -4.863 3.830 13.693 1010 1HE LYS 127 HE2 LYS 127 -5.803 5.108 16.257 1011 2HE LYS 127 HE1 LYS 127 -6.740 3.934 15.331 1012 1HZ LYS 127 HZ1 LYS 127 -4.920 2.343 15.627 1013 2HZ LYS 127 HZ2 LYS 127 -5.561 2.844 17.110 1014 3HZ LYS 127 HZ3 LYS 127 -4.083 3.468 16.575 1015 H ARG 128 HN ARG 128 -0.269 4.081 16.377 1016 HA ARG 128 HA ARG 128 -0.708 6.339 18.081 1017 1HB ARG 128 HB2 ARG 128 -0.755 3.957 18.854 1018 2HB ARG 128 HB1 ARG 128 0.983 3.892 18.605 1019 1HG ARG 128 HG2 ARG 128 1.427 5.284 20.389 1020 2HG ARG 128 HG1 ARG 128 -0.184 6.004 20.360 1021 1HD ARG 128 HD2 ARG 128 -0.600 4.642 22.091 1022 2HD ARG 128 HD1 ARG 128 -0.760 3.390 20.861 1023 HE ARG 128 HE ARG 128 1.939 3.610 21.610 1024 1HH1 ARG 128 1HH1 ARG 128 -1.122 2.529 22.891 1025 2HH1 ARG 128 2HH1 ARG 128 -0.409 1.355 23.946 1026 1HH2 ARG 128 1HH2 ARG 128 2.879 2.065 22.996 1027 2HH2 ARG 128 2HH2 ARG 128 1.863 1.092 24.006 1028 H LEU 129 HN LEU 129 1.490 5.773 15.703 1029 HA LEU 129 HA LEU 129 3.537 6.588 15.147 1030 1HB LEU 129 HB2 LEU 129 3.070 8.808 17.095 1031 2HB LEU 129 HB1 LEU 129 3.845 8.868 15.526 1032 HG LEU 129 HG LEU 129 0.917 8.259 15.747 1033 1HD1 LEU 129 1HD1 LEU 129 0.737 10.247 16.817 1034 2HD1 LEU 129 2HD1 LEU 129 0.853 10.858 15.167 1035 3HD1 LEU 129 3HD1 LEU 129 2.279 10.845 16.205 1036 1HD2 LEU 129 1HD2 LEU 129 1.825 7.879 13.589 1037 2HD2 LEU 129 2HD2 LEU 129 2.721 9.397 13.625 1038 3HD2 LEU 129 3HD2 LEU 129 0.961 9.415 13.512 1039 1HO1 MO2 130 1HO1 MO2 130 -5.233 -1.661 -8.568 1040 2HO1 MO2 130 2HO1 MO2 130 -4.782 -3.945 -10.630 1041 1HO2 MO2 130 1HO2 MO2 130 -4.506 -0.509 -9.224 1042 2HO2 MO2 130 2HO2 MO2 130 -3.603 -4.890 -10.690 1043 1H5* 8OG 131 1H5* ODG 131 -7.687 -8.813 -4.783 1044 2H5* 8OG 131 2H5* ODG 131 -9.180 -8.199 -5.424 1045 H4* 8OG 131 1H4* ODG 131 -7.408 -6.949 -3.338 1046 H3* 8OG 131 1H3* ODG 131 -9.592 -8.732 -3.061 1047 1H2* 8OG 131 1H2* ODG 131 -11.289 -7.406 -2.457 1048 2H2* 8OG 131 2H2* ODG 131 -10.294 -6.666 -1.222 1049 H1* 8OG 131 1H1* ODG 131 -10.045 -4.829 -2.429 1050 H1 8OG 131 H1 ODG 131 -14.243 -0.818 -3.750 1051 H7 8OG 131 H7 ODG 131 -14.168 -5.533 -5.374 1052 1H2 8OG 131 H21 ODG 131 -11.296 -0.439 -1.906 1053 2H2 8OG 131 H22 ODG 131 -12.747 0.311 -2.484 1054 H3T 8OG 131 *HO1 ODG 131 -7.660 -8.785 -1.799 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -9.195 -24.459 -2.058 2 2H MET 1 HT2 MET 1 -10.489 -23.462 -1.530 3 3H MET 1 HT3 MET 1 -9.990 -24.801 -0.578 4 HA MET 1 HA MET 1 -9.164 -22.879 0.421 5 1HB MET 1 HB2 MET 1 -7.333 -24.734 -1.009 6 2HB MET 1 HB1 MET 1 -6.602 -23.322 -0.259 7 1HG MET 1 HG2 MET 1 -7.859 -24.019 1.853 8 2HG MET 1 HG1 MET 1 -8.103 -25.564 1.039 9 1HE MET 1 HE1 MET 1 -6.297 -27.537 1.304 10 2HE MET 1 HE2 MET 1 -4.664 -27.126 0.783 11 3HE MET 1 HE3 MET 1 -6.046 -26.699 -0.227 12 H LYS 2 HN LYS 2 -9.928 -20.956 -0.529 13 HA LYS 2 HA LYS 2 -8.644 -19.888 -2.881 14 1HB LYS 2 HB2 LYS 2 -11.093 -19.496 -1.705 15 2HB LYS 2 HB1 LYS 2 -10.231 -18.033 -1.249 16 1HG LYS 2 HG2 LYS 2 -10.357 -19.016 -4.083 17 2HG LYS 2 HG1 LYS 2 -11.572 -17.942 -3.388 18 1HD LYS 2 HD2 LYS 2 -10.207 -16.155 -3.461 19 2HD LYS 2 HD1 LYS 2 -8.802 -17.087 -2.942 20 1HE LYS 2 HE2 LYS 2 -8.096 -16.751 -5.051 21 2HE LYS 2 HE1 LYS 2 -9.182 -18.088 -5.428 22 1HZ LYS 2 HZ1 LYS 2 -9.995 -16.597 -6.887 23 2HZ LYS 2 HZ2 LYS 2 -9.457 -15.254 -6.012 24 3HZ LYS 2 HZ3 LYS 2 -10.875 -16.051 -5.549 25 H LYS 3 HN LYS 3 -7.058 -18.395 -2.982 26 HA LYS 3 HA LYS 3 -6.183 -17.075 -0.519 27 1HB LYS 3 HB2 LYS 3 -4.771 -19.021 -0.632 28 2HB LYS 3 HB1 LYS 3 -4.428 -18.735 -2.330 29 1HG LYS 3 HG2 LYS 3 -3.654 -16.406 -0.946 30 2HG LYS 3 HG1 LYS 3 -3.044 -17.781 -0.025 31 1HD LYS 3 HD2 LYS 3 -1.624 -18.433 -1.677 32 2HD LYS 3 HD1 LYS 3 -2.691 -17.868 -2.965 33 1HE LYS 3 HE2 LYS 3 -1.173 -16.222 -3.175 34 2HE LYS 3 HE1 LYS 3 -2.019 -15.522 -1.795 35 1HZ LYS 3 HZ1 LYS 3 0.609 -16.760 -1.928 36 2HZ LYS 3 HZ2 LYS 3 -0.299 -17.097 -0.541 37 3HZ LYS 3 HZ3 LYS 3 0.055 -15.495 -0.950 38 H LEU 4 HN LEU 4 -5.492 -15.025 -0.805 39 HA LEU 4 HA LEU 4 -4.907 -14.091 -3.522 40 1HB LEU 4 HB2 LEU 4 -6.338 -12.169 -3.288 41 2HB LEU 4 HB1 LEU 4 -7.283 -13.626 -3.057 42 HG LEU 4 HG LEU 4 -6.440 -12.863 -0.486 43 1HD1 LEU 4 1HD1 LEU 4 -7.734 -10.531 -0.677 44 2HD1 LEU 4 2HD1 LEU 4 -6.936 -10.549 -2.250 45 3HD1 LEU 4 3HD1 LEU 4 -5.978 -10.671 -0.774 46 1HD2 LEU 4 1HD2 LEU 4 -8.990 -12.946 -2.015 47 2HD2 LEU 4 2HD2 LEU 4 -8.977 -12.155 -0.439 48 3HD2 LEU 4 3HD2 LEU 4 -8.501 -13.847 -0.580 49 H GLN 5 HN GLN 5 -3.337 -12.551 -3.640 50 HA GLN 5 HA GLN 5 -2.054 -11.824 -1.108 51 1HB GLN 5 HB2 GLN 5 -0.813 -11.447 -3.811 52 2HB GLN 5 HB1 GLN 5 -0.024 -11.645 -2.254 53 1HG GLN 5 HG2 GLN 5 -0.707 -13.977 -2.192 54 2HG GLN 5 HG1 GLN 5 -1.531 -13.782 -3.735 55 1HE2 GLN 5 1HE2 GLN 5 -0.367 -15.110 -4.998 56 2HE2 GLN 5 2HE2 GLN 5 1.324 -14.940 -5.307 57 H ILE 6 HN ILE 6 -1.216 -9.706 -0.819 58 HA ILE 6 HA ILE 6 -2.245 -7.591 -2.527 59 HB ILE 6 HB ILE 6 -2.870 -7.778 0.424 60 1HG1 ILE 6 2HG1 ILE 6 -4.335 -9.124 -1.058 61 2HG1 ILE 6 1HG1 ILE 6 -5.198 -7.808 -0.269 62 1HG2 ILE 6 1HG2 ILE 6 -2.820 -5.559 0.408 63 2HG2 ILE 6 2HG2 ILE 6 -4.240 -5.619 -0.636 64 3HG2 ILE 6 3HG2 ILE 6 -2.629 -5.503 -1.343 65 1HD1 ILE 6 1HD1 ILE 6 -5.207 -8.409 -2.960 66 2HD1 ILE 6 2HD1 ILE 6 -4.136 -7.013 -2.839 67 3HD1 ILE 6 3HD1 ILE 6 -5.783 -6.918 -2.214 68 H ALA 7 HN ALA 7 -0.949 -5.792 -2.542 69 HA ALA 7 HA ALA 7 1.292 -5.750 -0.628 70 1HB ALA 7 HB1 ALA 7 2.411 -4.517 -2.714 71 2HB ALA 7 HB2 ALA 7 1.317 -5.586 -3.589 72 3HB ALA 7 HB3 ALA 7 2.511 -6.260 -2.477 73 H VAL 8 HN VAL 8 2.013 -3.653 -0.014 74 HA VAL 8 HA VAL 8 0.478 -1.397 -1.005 75 HB VAL 8 HB VAL 8 -0.917 -1.283 0.697 76 1HG1 VAL 8 1HG1 VAL 8 0.686 -3.223 2.348 77 2HG1 VAL 8 2HG1 VAL 8 -0.432 -3.720 1.079 78 3HG1 VAL 8 3HG1 VAL 8 -1.029 -2.841 2.485 79 1HG2 VAL 8 1HG2 VAL 8 1.497 -0.924 2.471 80 2HG2 VAL 8 2HG2 VAL 8 -0.150 -0.404 2.824 81 3HG2 VAL 8 3HG2 VAL 8 0.748 0.346 1.502 82 H GLY 9 HN GLY 9 1.431 0.620 -0.659 83 1HA GLY 9 HA2 GLY 9 3.985 0.697 0.734 84 2HA GLY 9 HA1 GLY 9 4.043 0.961 -0.996 85 H ILE 10 HN ILE 10 3.619 2.378 2.009 86 HA ILE 10 HA ILE 10 2.075 4.659 1.189 87 HB ILE 10 HB ILE 10 3.726 5.362 3.412 88 1HG1 ILE 10 2HG1 ILE 10 2.433 2.638 3.681 89 2HG1 ILE 10 1HG1 ILE 10 4.155 2.993 3.786 90 1HG2 ILE 10 1HG2 ILE 10 1.353 6.023 2.768 91 2HG2 ILE 10 2HG2 ILE 10 1.686 5.768 4.481 92 3HG2 ILE 10 3HG2 ILE 10 0.851 4.525 3.550 93 1HD1 ILE 10 1HD1 ILE 10 3.269 2.661 5.986 94 2HD1 ILE 10 2HD1 ILE 10 2.013 3.867 5.707 95 3HD1 ILE 10 3HD1 ILE 10 3.705 4.359 5.793 96 H ILE 11 HN ILE 11 2.878 5.823 -0.430 97 HA ILE 11 HA ILE 11 5.641 6.171 -0.957 98 HB ILE 11 HB ILE 11 3.946 6.211 -2.714 99 1HG1 ILE 11 2HG1 ILE 11 4.847 8.961 -3.038 100 2HG1 ILE 11 1HG1 ILE 11 6.141 7.889 -2.514 101 1HG2 ILE 11 1HG2 ILE 11 2.390 7.597 -1.102 102 2HG2 ILE 11 2HG2 ILE 11 2.223 7.692 -2.855 103 3HG2 ILE 11 3HG2 ILE 11 3.089 8.955 -1.981 104 1HD1 ILE 11 1HD1 ILE 11 6.363 7.638 -4.749 105 2HD1 ILE 11 2HD1 ILE 11 4.659 7.985 -5.074 106 3HD1 ILE 11 3HD1 ILE 11 5.141 6.395 -4.475 107 H ARG 12 HN ARG 12 6.957 7.335 0.270 108 HA ARG 12 HA ARG 12 6.020 9.600 1.806 109 1HB ARG 12 HB2 ARG 12 8.283 7.776 1.879 110 2HB ARG 12 HB1 ARG 12 8.762 9.444 2.145 111 1HG ARG 12 HG2 ARG 12 6.480 9.063 3.696 112 2HG ARG 12 HG1 ARG 12 7.459 7.616 3.926 113 1HD ARG 12 HD2 ARG 12 8.965 10.129 3.988 114 2HD ARG 12 HD1 ARG 12 7.786 9.954 5.288 115 HE ARG 12 HE ARG 12 9.008 7.618 5.449 116 1HH1 ARG 12 1HH1 ARG 12 10.391 10.799 5.026 117 2HH1 ARG 12 2HH1 ARG 12 11.870 10.397 5.831 118 1HH2 ARG 12 1HH2 ARG 12 10.952 7.094 6.506 119 2HH2 ARG 12 2HH2 ARG 12 12.189 8.296 6.670 120 H ASN 13 HN ASN 13 6.490 11.666 1.534 121 HA ASN 13 HA ASN 13 7.643 12.498 -1.011 122 1HB ASN 13 HB2 ASN 13 6.939 14.837 -0.007 123 2HB ASN 13 HB1 ASN 13 5.736 13.769 -0.691 124 1HD2 ASN 13 1HD2 ASN 13 4.020 13.384 0.486 125 2HD2 ASN 13 2HD2 ASN 13 3.892 13.607 2.193 126 H GLU 14 HN GLU 14 8.659 14.889 -0.587 127 HA GLU 14 HA GLU 14 11.221 14.350 0.568 128 1HB GLU 14 HB2 GLU 14 11.119 15.578 -1.476 129 2HB GLU 14 HB1 GLU 14 9.974 16.731 -0.797 130 1HG GLU 14 HG2 GLU 14 12.313 17.574 -1.076 131 2HG GLU 14 HG1 GLU 14 11.654 17.727 0.552 132 H ASN 15 HN ASN 15 8.408 15.236 2.065 133 HA ASN 15 HA ASN 15 9.864 16.852 4.056 134 1HB ASN 15 HB2 ASN 15 8.118 18.102 2.748 135 2HB ASN 15 HB1 ASN 15 6.909 17.050 3.475 136 1HD2 ASN 15 1HD2 ASN 15 9.778 18.737 4.710 137 2HD2 ASN 15 2HD2 ASN 15 8.957 19.544 5.998 138 H ASN 16 HN ASN 16 9.790 14.044 4.199 139 HA ASN 16 HA ASN 16 9.294 12.319 5.606 140 1HB ASN 16 HB2 ASN 16 9.716 14.654 7.166 141 2HB ASN 16 HB1 ASN 16 8.448 13.709 7.935 142 1HD2 ASN 16 1HD2 ASN 16 11.783 13.892 7.118 143 2HD2 ASN 16 2HD2 ASN 16 12.295 12.481 7.974 144 H GLU 17 HN GLU 17 7.055 13.664 4.084 145 HA GLU 17 HA GLU 17 4.820 12.656 5.705 146 1HB GLU 17 HB2 GLU 17 4.765 14.761 3.534 147 2HB GLU 17 HB1 GLU 17 3.357 14.136 4.364 148 1HG GLU 17 HG2 GLU 17 3.766 15.309 6.250 149 2HG GLU 17 HG1 GLU 17 5.516 15.232 6.051 150 H ILE 18 HN ILE 18 3.044 11.657 4.395 151 HA ILE 18 HA ILE 18 4.189 10.219 2.095 152 HB ILE 18 HB ILE 18 3.223 9.214 4.535 153 1HG1 ILE 18 2HG1 ILE 18 3.506 7.151 2.552 154 2HG1 ILE 18 1HG1 ILE 18 4.759 8.368 2.350 155 1HG2 ILE 18 1HG2 ILE 18 1.470 8.289 2.270 156 2HG2 ILE 18 2HG2 ILE 18 0.955 9.360 3.575 157 3HG2 ILE 18 3HG2 ILE 18 1.448 7.706 3.934 158 1HD1 ILE 18 1HD1 ILE 18 5.205 8.122 4.827 159 2HD1 ILE 18 2HD1 ILE 18 5.654 6.760 3.800 160 3HD1 ILE 18 3HD1 ILE 18 4.178 6.691 4.763 161 H PHE 19 HN PHE 19 3.044 10.099 0.245 162 HA PHE 19 HA PHE 19 0.608 11.678 0.086 163 1HB PHE 19 HB2 PHE 19 1.693 12.292 -1.795 164 2HB PHE 19 HB1 PHE 19 2.732 10.876 -1.765 165 HD1 PHE 19 HD1 PHE 19 -0.928 11.458 -2.296 166 HD2 PHE 19 HD2 PHE 19 2.679 9.713 -3.730 167 HE1 PHE 19 HE1 PHE 19 -2.145 10.522 -4.220 168 HE2 PHE 19 HE2 PHE 19 1.466 8.774 -5.652 169 HZ PHE 19 HZ PHE 19 -0.949 9.180 -5.899 170 H ILE 20 HN ILE 20 -1.126 10.583 0.769 171 HA ILE 20 HA ILE 20 -1.555 7.859 -0.262 172 HB ILE 20 HB ILE 20 -3.509 8.438 1.704 173 1HG1 ILE 20 2HG1 ILE 20 -0.833 8.732 3.009 174 2HG1 ILE 20 1HG1 ILE 20 -1.618 10.163 2.358 175 1HG2 ILE 20 1HG2 ILE 20 -2.583 6.247 1.106 176 2HG2 ILE 20 2HG2 ILE 20 -2.542 6.538 2.844 177 3HG2 ILE 20 3HG2 ILE 20 -1.066 6.687 1.891 178 1HD1 ILE 20 1HD1 ILE 20 -3.298 10.117 3.893 179 2HD1 ILE 20 2HD1 ILE 20 -1.965 9.456 4.841 180 3HD1 ILE 20 3HD1 ILE 20 -3.174 8.376 4.143 181 H THR 21 HN THR 21 -3.847 7.319 -0.764 182 HA THR 21 HA THR 21 -5.019 9.469 -2.320 183 HB THR 21 HB THR 21 -6.302 7.825 -3.408 184 HG1 THR 21 HG1 THR 21 -7.201 6.716 -1.735 185 1HG2 THR 21 1HG2 THR 21 -4.619 6.824 -4.421 186 2HG2 THR 21 2HG2 THR 21 -4.342 5.788 -3.021 187 3HG2 THR 21 3HG2 THR 21 -3.554 7.363 -3.124 188 H ARG 22 HN ARG 22 -6.355 10.839 -1.343 189 HA ARG 22 HA ARG 22 -8.340 9.739 0.530 190 1HB ARG 22 HB2 ARG 22 -8.185 11.772 1.876 191 2HB ARG 22 HB1 ARG 22 -6.629 10.961 1.792 192 1HG ARG 22 HG2 ARG 22 -5.655 12.643 0.635 193 2HG ARG 22 HG1 ARG 22 -7.141 13.075 -0.211 194 1HD ARG 22 HD2 ARG 22 -7.909 14.383 1.525 195 2HD ARG 22 HD1 ARG 22 -6.943 13.532 2.730 196 HE ARG 22 HE ARG 22 -5.261 14.884 0.906 197 1HH1 ARG 22 1HH1 ARG 22 -7.423 15.480 3.578 198 2HH1 ARG 22 2HH1 ARG 22 -6.617 16.931 4.070 199 1HH2 ARG 22 1HH2 ARG 22 -4.198 16.793 1.551 200 2HH2 ARG 22 2HH2 ARG 22 -4.786 17.677 2.920 201 H ARG 23 HN ARG 23 -10.398 10.262 0.129 202 HA ARG 23 HA ARG 23 -12.184 10.985 -1.095 203 1HB ARG 23 HB2 ARG 23 -11.831 12.883 0.408 204 2HB ARG 23 HB1 ARG 23 -10.731 13.611 -0.753 205 1HG ARG 23 HG2 ARG 23 -12.969 13.247 -2.264 206 2HG ARG 23 HG1 ARG 23 -13.657 13.587 -0.676 207 1HD ARG 23 HD2 ARG 23 -11.446 15.357 -1.381 208 2HD ARG 23 HD1 ARG 23 -12.803 15.459 -2.502 209 HE ARG 23 HE ARG 23 -14.074 16.416 -0.845 210 1HH1 ARG 23 1HH1 ARG 23 -11.143 15.130 0.549 211 2HH1 ARG 23 2HH1 ARG 23 -11.393 15.887 2.085 212 1HH2 ARG 23 1HH2 ARG 23 -14.403 17.412 1.176 213 2HH2 ARG 23 2HH2 ARG 23 -13.243 17.181 2.441 214 H ALA 24 HN ALA 24 -10.739 13.655 -2.630 215 HA ALA 24 HA ALA 24 -9.456 12.662 -4.830 216 1HB ALA 24 HB1 ALA 24 -10.944 11.562 -6.059 217 2HB ALA 24 HB2 ALA 24 -11.878 13.049 -6.224 218 3HB ALA 24 HB3 ALA 24 -12.220 11.935 -4.900 219 H ALA 25 HN ALA 25 -12.402 14.640 -4.972 220 HA ALA 25 HA ALA 25 -11.028 17.128 -4.793 221 1HB ALA 25 HB1 ALA 25 -10.343 16.320 -7.070 222 2HB ALA 25 HB2 ALA 25 -11.158 17.884 -7.044 223 3HB ALA 25 HB3 ALA 25 -12.037 16.439 -7.545 224 H ASP 26 HN ASP 26 -13.860 15.576 -6.296 225 HA ASP 26 HA ASP 26 -15.540 17.801 -5.432 226 1HB ASP 26 HB2 ASP 26 -17.317 16.574 -6.743 227 2HB ASP 26 HB1 ASP 26 -15.936 17.125 -7.688 228 H ALA 27 HN ALA 27 -15.388 14.263 -5.116 229 HA ALA 27 HA ALA 27 -16.236 14.325 -2.406 230 1HB ALA 27 HB1 ALA 27 -18.421 14.745 -3.165 231 2HB ALA 27 HB2 ALA 27 -18.376 13.016 -2.821 232 3HB ALA 27 HB3 ALA 27 -18.274 13.586 -4.487 233 H HIS 28 HN HIS 28 -17.158 11.900 -4.817 234 HA HIS 28 HA HIS 28 -16.623 9.693 -5.009 235 1HB HIS 28 HB2 HIS 28 -14.010 11.099 -4.712 236 2HB HIS 28 HB1 HIS 28 -14.012 9.339 -4.678 237 HD1 HIS 28 HD1 HIS 28 -13.424 11.888 -6.968 238 HD2 HIS 28 HD2 HIS 28 -15.770 8.461 -7.101 239 HE1 HIS 28 HE1 HIS 28 -13.777 11.410 -9.411 240 HE2 HIS 28 HE2 HIS 28 -15.272 9.382 -9.466 241 H MET 29 HN MET 29 -15.097 7.897 -3.844 242 HA MET 29 HA MET 29 -16.226 7.630 -1.236 243 1HB MET 29 HB2 MET 29 -14.569 5.973 -3.045 244 2HB MET 29 HB1 MET 29 -14.405 5.633 -1.327 245 1HG MET 29 HG2 MET 29 -17.166 5.890 -2.290 246 2HG MET 29 HG1 MET 29 -16.262 4.525 -2.944 247 1HE MET 29 HE1 MET 29 -18.898 3.901 -1.137 248 2HE MET 29 HE2 MET 29 -18.646 5.548 -0.557 249 3HE MET 29 HE3 MET 29 -18.676 4.205 0.587 250 H ALA 30 HN ALA 30 -15.424 9.334 0.004 251 HA ALA 30 HA ALA 30 -12.572 9.667 0.342 252 1HB ALA 30 HB1 ALA 30 -14.514 11.455 0.432 253 2HB ALA 30 HB2 ALA 30 -13.044 11.638 1.388 254 3HB ALA 30 HB3 ALA 30 -14.513 11.016 2.140 255 H ASN 31 HN ASN 31 -14.880 7.614 1.657 256 HA ASN 31 HA ASN 31 -13.687 7.493 4.295 257 1HB ASN 31 HB2 ASN 31 -15.448 5.363 4.097 258 2HB ASN 31 HB1 ASN 31 -15.797 6.935 4.795 259 1HD2 ASN 31 1HD2 ASN 31 -17.295 8.179 3.870 260 2HD2 ASN 31 2HD2 ASN 31 -18.101 7.819 2.385 261 H LYS 32 HN LYS 32 -12.713 6.389 1.403 262 HA LYS 32 HA LYS 32 -11.688 3.873 2.515 263 1HB LYS 32 HB2 LYS 32 -12.845 4.509 -0.077 264 2HB LYS 32 HB1 LYS 32 -11.275 3.731 -0.223 265 1HG LYS 32 HG2 LYS 32 -12.490 2.178 1.658 266 2HG LYS 32 HG1 LYS 32 -13.847 2.634 0.626 267 1HD LYS 32 HD2 LYS 32 -13.201 0.940 -0.688 268 2HD LYS 32 HD1 LYS 32 -11.891 2.007 -1.196 269 1HE LYS 32 HE2 LYS 32 -10.483 1.085 0.611 270 2HE LYS 32 HE1 LYS 32 -11.786 -0.027 1.029 271 1HZ LYS 32 HZ1 LYS 32 -11.629 -0.906 -1.268 272 2HZ LYS 32 HZ2 LYS 32 -10.234 -1.167 -0.348 273 3HZ LYS 32 HZ3 LYS 32 -10.259 0.058 -1.514 274 H LEU 33 HN LEU 33 -10.600 6.568 2.793 275 HA LEU 33 HA LEU 33 -8.466 7.236 1.233 276 1HB LEU 33 HB2 LEU 33 -9.340 8.336 3.373 277 2HB LEU 33 HB1 LEU 33 -8.278 7.241 4.232 278 HG LEU 33 HG LEU 33 -7.332 9.204 2.153 279 1HD1 LEU 33 1HD1 LEU 33 -6.408 10.390 4.210 280 2HD1 LEU 33 2HD1 LEU 33 -7.576 9.443 5.132 281 3HD1 LEU 33 3HD1 LEU 33 -8.133 10.558 3.885 282 1HD2 LEU 33 1HD2 LEU 33 -5.182 8.713 3.611 283 2HD2 LEU 33 2HD2 LEU 33 -5.637 7.683 2.253 284 3HD2 LEU 33 3HD2 LEU 33 -6.026 7.191 3.902 285 H GLU 34 HN GLU 34 -7.355 5.513 0.325 286 HA GLU 34 HA GLU 34 -5.665 3.992 2.196 287 1HB GLU 34 HB2 GLU 34 -7.639 2.829 0.805 288 2HB GLU 34 HB1 GLU 34 -6.363 2.746 -0.403 289 1HG GLU 34 HG2 GLU 34 -5.170 1.893 1.962 290 2HG GLU 34 HG1 GLU 34 -6.769 1.152 1.959 291 H PHE 35 HN PHE 35 -3.898 2.805 0.762 292 HA PHE 35 HA PHE 35 -2.663 4.864 -0.946 293 1HB PHE 35 HB2 PHE 35 -0.527 3.435 -0.057 294 2HB PHE 35 HB1 PHE 35 -1.110 4.908 0.704 295 HD1 PHE 35 HD1 PHE 35 -1.997 1.278 0.772 296 HD2 PHE 35 HD2 PHE 35 -1.203 4.823 2.987 297 HE1 PHE 35 HE1 PHE 35 -2.354 0.043 2.870 298 HE2 PHE 35 HE2 PHE 35 -1.557 3.595 5.088 299 HZ PHE 35 HZ PHE 35 -2.134 1.201 5.032 300 HA PRO 36 HA PRO 36 -1.903 2.181 -4.369 301 1HB PRO 36 HB2 PRO 36 0.899 1.836 -4.208 302 2HB PRO 36 HB1 PRO 36 0.035 3.037 -5.167 303 1HG PRO 36 HG2 PRO 36 1.327 3.311 -2.510 304 2HG PRO 36 HG1 PRO 36 1.141 4.510 -3.800 305 1HD PRO 36 HD2 PRO 36 -0.343 4.622 -1.580 306 2HD PRO 36 HD1 PRO 36 -1.030 5.038 -3.164 307 H GLY 37 HN GLY 37 -1.025 -0.016 -4.970 308 1HA GLY 37 HA2 GLY 37 -0.131 -2.129 -4.241 309 2HA GLY 37 HA1 GLY 37 -0.524 -1.666 -2.612 310 H GLY 38 HN GLY 38 -2.227 -1.960 -5.635 311 1HA GLY 38 HA2 GLY 38 -4.107 -3.864 -4.460 312 2HA GLY 38 HA1 GLY 38 -4.765 -2.366 -5.108 313 H LYS 39 HN LYS 39 -3.621 -5.524 -5.838 314 HA LYS 39 HA LYS 39 -4.622 -6.437 -7.917 315 1HB LYS 39 HB2 LYS 39 -4.867 -4.335 -9.104 316 2HB LYS 39 HB1 LYS 39 -3.124 -4.105 -9.126 317 1HG LYS 39 HG2 LYS 39 -2.849 -5.431 -10.906 318 2HG LYS 39 HG1 LYS 39 -4.015 -6.622 -10.324 319 1HD LYS 39 HD2 LYS 39 -4.947 -3.972 -11.359 320 2HD LYS 39 HD1 LYS 39 -4.537 -5.273 -12.479 321 1HE LYS 39 HE2 LYS 39 -6.863 -5.446 -12.091 322 2HE LYS 39 HE1 LYS 39 -6.111 -6.739 -11.159 323 1HZ LYS 39 HZ1 LYS 39 -7.891 -5.386 -10.010 324 2HZ LYS 39 HZ2 LYS 39 -6.771 -4.119 -9.954 325 3HZ LYS 39 HZ3 LYS 39 -6.436 -5.579 -9.168 326 H ILE 40 HN ILE 40 -1.709 -5.704 -6.476 327 HA ILE 40 HA ILE 40 0.313 -6.720 -7.963 328 HB ILE 40 HB ILE 40 1.081 -6.016 -5.938 329 1HG1 ILE 40 2HG1 ILE 40 0.850 -8.952 -5.268 330 2HG1 ILE 40 1HG1 ILE 40 1.963 -8.339 -6.485 331 1HG2 ILE 40 1HG2 ILE 40 -1.458 -7.038 -4.966 332 2HG2 ILE 40 2HG2 ILE 40 -0.493 -5.673 -4.412 333 3HG2 ILE 40 3HG2 ILE 40 -0.131 -7.299 -3.834 334 1HD1 ILE 40 1HD1 ILE 40 2.016 -8.035 -3.531 335 2HD1 ILE 40 2HD1 ILE 40 2.752 -6.794 -4.544 336 3HD1 ILE 40 3HD1 ILE 40 3.312 -8.459 -4.646 337 H GLU 41 HN GLU 41 -1.189 -8.771 -5.585 338 HA GLU 41 HA GLU 41 -0.583 -11.186 -5.766 339 1HB GLU 41 HB2 GLU 41 -3.056 -11.898 -6.280 340 2HB GLU 41 HB1 GLU 41 -2.659 -11.018 -4.816 341 1HG GLU 41 HG2 GLU 41 -3.963 -9.316 -5.385 342 2HG GLU 41 HG1 GLU 41 -3.243 -9.197 -6.982 343 H MET 42 HN MET 42 -2.971 -10.691 -8.324 344 HA MET 42 HA MET 42 -3.179 -11.725 -10.355 345 1HB MET 42 HB2 MET 42 -0.396 -10.567 -10.471 346 2HB MET 42 HB1 MET 42 -1.208 -11.249 -11.873 347 1HG MET 42 HG2 MET 42 -2.964 -9.397 -10.616 348 2HG MET 42 HG1 MET 42 -1.390 -8.634 -10.828 349 1HE MET 42 HE1 MET 42 -2.156 -6.958 -12.011 350 2HE MET 42 HE2 MET 42 -3.222 -6.963 -13.417 351 3HE MET 42 HE3 MET 42 -1.475 -7.076 -13.634 352 H GLY 43 HN GLY 43 0.262 -12.425 -10.442 353 1HA GLY 43 HA2 GLY 43 -0.026 -15.149 -9.558 354 2HA GLY 43 HA1 GLY 43 0.073 -15.001 -11.300 355 H GLU 44 HN GLU 44 1.807 -12.648 -9.554 356 HA GLU 44 HA GLU 44 4.307 -13.688 -10.542 357 1HB GLU 44 HB2 GLU 44 3.291 -11.145 -9.702 358 2HB GLU 44 HB1 GLU 44 4.759 -11.493 -8.801 359 1HG GLU 44 HG2 GLU 44 5.891 -10.743 -10.546 360 2HG GLU 44 HG1 GLU 44 5.382 -12.195 -11.406 361 H THR 45 HN THR 45 6.084 -12.857 -8.514 362 HA THR 45 HA THR 45 5.566 -14.933 -6.496 363 HB THR 45 HB THR 45 8.285 -13.938 -6.525 364 HG1 THR 45 HG1 THR 45 8.088 -13.514 -8.665 365 1HG2 THR 45 1HG2 THR 45 6.904 -16.519 -6.616 366 2HG2 THR 45 2HG2 THR 45 8.344 -16.022 -5.726 367 3HG2 THR 45 3HG2 THR 45 8.470 -16.470 -7.428 368 HA PRO 46 HA PRO 46 5.219 -12.215 -3.049 369 1HB PRO 46 HB2 PRO 46 7.530 -13.052 -1.617 370 2HB PRO 46 HB1 PRO 46 5.868 -13.591 -1.380 371 1HG PRO 46 HG2 PRO 46 8.068 -14.866 -2.912 372 2HG PRO 46 HG1 PRO 46 6.716 -15.615 -2.040 373 1HD PRO 46 HD2 PRO 46 6.740 -15.513 -4.704 374 2HD PRO 46 HD1 PRO 46 5.231 -15.269 -3.801 375 H GLU 47 HN GLU 47 8.268 -12.478 -4.744 376 HA GLU 47 HA GLU 47 9.191 -9.923 -3.689 377 1HB GLU 47 HB2 GLU 47 10.439 -12.174 -5.179 378 2HB GLU 47 HB1 GLU 47 11.132 -10.573 -5.394 379 1HG GLU 47 HG2 GLU 47 10.624 -11.573 -2.637 380 2HG GLU 47 HG1 GLU 47 12.014 -12.180 -3.535 381 H GLN 48 HN GLN 48 8.686 -11.379 -6.936 382 HA GLN 48 HA GLN 48 8.863 -8.787 -8.187 383 1HB GLN 48 HB2 GLN 48 8.411 -11.585 -9.157 384 2HB GLN 48 HB1 GLN 48 8.075 -10.227 -10.223 385 1HG GLN 48 HG2 GLN 48 10.290 -9.595 -10.337 386 2HG GLN 48 HG1 GLN 48 10.707 -10.410 -8.830 387 1HE2 GLN 48 1HE2 GLN 48 12.243 -10.721 -11.075 388 2HE2 GLN 48 2HE2 GLN 48 12.086 -12.337 -11.667 389 H ALA 49 HN ALA 49 6.419 -10.296 -6.528 390 HA ALA 49 HA ALA 49 4.179 -9.779 -8.159 391 1HB ALA 49 HB1 ALA 49 4.390 -10.031 -5.163 392 2HB ALA 49 HB2 ALA 49 4.033 -11.320 -6.312 393 3HB ALA 49 HB3 ALA 49 2.879 -10.011 -6.071 394 H VAL 50 HN VAL 50 5.420 -7.950 -5.348 395 HA VAL 50 HA VAL 50 3.706 -5.723 -5.964 396 HB VAL 50 HB VAL 50 4.026 -5.794 -3.686 397 1HG1 VAL 50 1HG1 VAL 50 6.568 -5.883 -2.857 398 2HG1 VAL 50 2HG1 VAL 50 6.709 -6.809 -4.352 399 3HG1 VAL 50 3HG1 VAL 50 5.572 -7.317 -3.101 400 1HG2 VAL 50 1HG2 VAL 50 6.349 -3.995 -4.143 401 2HG2 VAL 50 2HG2 VAL 50 4.928 -3.770 -3.121 402 3HG2 VAL 50 3HG2 VAL 50 4.798 -3.576 -4.871 403 H VAL 51 HN VAL 51 7.156 -6.442 -6.330 404 HA VAL 51 HA VAL 51 8.107 -3.948 -7.020 405 HB VAL 51 HB VAL 51 8.925 -6.554 -8.321 406 1HG1 VAL 51 1HG1 VAL 51 10.999 -4.569 -7.910 407 2HG1 VAL 51 2HG1 VAL 51 9.707 -3.968 -8.950 408 3HG1 VAL 51 3HG1 VAL 51 10.557 -5.455 -9.370 409 1HG2 VAL 51 1HG2 VAL 51 8.963 -6.137 -5.681 410 2HG2 VAL 51 2HG2 VAL 51 10.491 -5.369 -6.107 411 3HG2 VAL 51 3HG2 VAL 51 10.209 -7.059 -6.520 412 H ARG 52 HN ARG 52 6.267 -6.206 -8.982 413 HA ARG 52 HA ARG 52 6.559 -4.645 -11.373 414 1HB ARG 52 HB2 ARG 52 5.715 -7.250 -10.782 415 2HB ARG 52 HB1 ARG 52 4.287 -6.441 -11.415 416 1HG ARG 52 HG2 ARG 52 5.105 -7.068 -13.401 417 2HG ARG 52 HG1 ARG 52 6.148 -5.656 -13.214 418 1HD ARG 52 HD2 ARG 52 7.992 -6.905 -12.909 419 2HD ARG 52 HD1 ARG 52 7.145 -8.086 -11.910 420 HE ARG 52 HE ARG 52 7.009 -9.407 -13.754 421 1HH1 ARG 52 1HH1 ARG 52 7.257 -6.094 -14.824 422 2HH1 ARG 52 2HH1 ARG 52 7.278 -6.508 -16.505 423 1HH2 ARG 52 1HH2 ARG 52 7.034 -9.953 -15.965 424 2HH2 ARG 52 2HH2 ARG 52 7.150 -8.699 -17.154 425 H GLU 53 HN GLU 53 3.941 -5.279 -9.076 426 HA GLU 53 HA GLU 53 2.060 -3.536 -10.247 427 1HB GLU 53 HB2 GLU 53 1.371 -5.265 -8.700 428 2HB GLU 53 HB1 GLU 53 2.336 -4.555 -7.415 429 1HG GLU 53 HG2 GLU 53 0.135 -3.938 -6.945 430 2HG GLU 53 HG1 GLU 53 0.873 -2.501 -7.646 431 H LEU 54 HN LEU 54 4.838 -2.993 -8.306 432 HA LEU 54 HA LEU 54 4.209 -0.631 -6.980 433 1HB LEU 54 HB2 LEU 54 6.390 -2.192 -7.111 434 2HB LEU 54 HB1 LEU 54 6.922 -0.888 -8.153 435 HG LEU 54 HG LEU 54 6.143 0.617 -6.146 436 1HD1 LEU 54 1HD1 LEU 54 6.371 -2.109 -4.973 437 2HD1 LEU 54 2HD1 LEU 54 5.214 -0.826 -4.620 438 3HD1 LEU 54 3HD1 LEU 54 6.872 -0.710 -4.026 439 1HD2 LEU 54 1HD2 LEU 54 8.406 0.520 -7.007 440 2HD2 LEU 54 2HD2 LEU 54 8.689 -0.990 -6.142 441 3HD2 LEU 54 3HD2 LEU 54 8.421 0.503 -5.243 442 H GLN 55 HN GLN 55 5.484 -1.127 -10.251 443 HA GLN 55 HA GLN 55 5.662 1.652 -10.853 444 1HB GLN 55 HB2 GLN 55 6.241 -0.845 -12.171 445 2HB GLN 55 HB1 GLN 55 5.363 0.212 -13.267 446 1HG GLN 55 HG2 GLN 55 7.869 0.961 -11.779 447 2HG GLN 55 HG1 GLN 55 7.798 0.440 -13.462 448 1HE2 GLN 55 1HE2 GLN 55 7.307 1.888 -15.005 449 2HE2 GLN 55 2HE2 GLN 55 6.923 3.546 -14.709 450 H GLU 56 HN GLU 56 3.142 -0.750 -11.084 451 HA GLU 56 HA GLU 56 1.425 0.698 -12.830 452 1HB GLU 56 HB2 GLU 56 1.405 -1.823 -11.953 453 2HB GLU 56 HB1 GLU 56 0.281 -1.143 -10.791 454 1HG GLU 56 HG2 GLU 56 -0.733 -0.132 -13.064 455 2HG GLU 56 HG1 GLU 56 -0.038 -1.634 -13.673 456 H GLU 57 HN GLU 57 2.108 0.821 -9.439 457 HA GLU 57 HA GLU 57 -0.147 2.641 -9.032 458 1HB GLU 57 HB2 GLU 57 0.927 0.517 -7.443 459 2HB GLU 57 HB1 GLU 57 1.015 2.024 -6.539 460 1HG GLU 57 HG2 GLU 57 -1.078 1.387 -5.962 461 2HG GLU 57 HG1 GLU 57 -1.460 2.277 -7.431 462 H VAL 58 HN VAL 58 2.894 2.981 -9.931 463 HA VAL 58 HA VAL 58 3.202 5.474 -8.413 464 HB VAL 58 HB VAL 58 4.874 3.274 -8.041 465 1HG1 VAL 58 1HG1 VAL 58 6.315 5.305 -9.738 466 2HG1 VAL 58 2HG1 VAL 58 5.962 3.635 -10.183 467 3HG1 VAL 58 3HG1 VAL 58 7.068 3.977 -8.854 468 1HG2 VAL 58 1HG2 VAL 58 5.864 6.025 -7.479 469 2HG2 VAL 58 2HG2 VAL 58 5.889 4.587 -6.458 470 3HG2 VAL 58 3HG2 VAL 58 4.381 5.466 -6.707 471 H GLY 59 HN GLY 59 4.187 3.565 -11.212 472 1HA GLY 59 HA2 GLY 59 4.456 4.140 -13.394 473 2HA GLY 59 HA1 GLY 59 3.634 5.632 -13.035 474 H ILE 60 HN ILE 60 5.502 6.648 -11.198 475 HA ILE 60 HA ILE 60 7.515 7.553 -13.062 476 HB ILE 60 HB ILE 60 8.089 8.803 -10.649 477 1HG1 ILE 60 2HG1 ILE 60 5.837 9.753 -10.019 478 2HG1 ILE 60 1HG1 ILE 60 5.113 8.420 -10.910 479 1HG2 ILE 60 1HG2 ILE 60 7.516 9.516 -13.214 480 2HG2 ILE 60 2HG2 ILE 60 7.836 10.638 -11.893 481 3HG2 ILE 60 3HG2 ILE 60 6.175 10.235 -12.324 482 1HD1 ILE 60 1HD1 ILE 60 5.167 7.369 -8.937 483 2HD1 ILE 60 2HD1 ILE 60 6.376 8.469 -8.277 484 3HD1 ILE 60 3HD1 ILE 60 6.874 7.118 -9.294 485 H THR 61 HN THR 61 9.678 8.139 -11.629 486 HA THR 61 HA THR 61 10.661 5.521 -10.752 487 HB THR 61 HB THR 61 12.877 6.808 -11.287 488 HG1 THR 61 HG1 THR 61 11.097 8.169 -12.997 489 1HG2 THR 61 1HG2 THR 61 11.060 5.933 -13.517 490 2HG2 THR 61 2HG2 THR 61 12.115 4.872 -12.578 491 3HG2 THR 61 3HG2 THR 61 12.814 6.114 -13.616 492 HA PRO 62 HA PRO 62 11.193 8.114 -7.047 493 1HB PRO 62 HB2 PRO 62 9.370 7.087 -5.491 494 2HB PRO 62 HB1 PRO 62 8.842 7.883 -6.981 495 1HG PRO 62 HG2 PRO 62 9.035 4.972 -6.372 496 2HG PRO 62 HG1 PRO 62 7.840 5.835 -7.354 497 1HD PRO 62 HD2 PRO 62 10.234 4.524 -8.248 498 2HD PRO 62 HD1 PRO 62 9.065 5.440 -9.210 499 H GLN 63 HN GLN 63 12.262 7.794 -5.104 500 HA GLN 63 HA GLN 63 13.669 5.303 -4.749 501 1HB GLN 63 HB2 GLN 63 13.480 7.882 -3.192 502 2HB GLN 63 HB1 GLN 63 14.368 6.496 -2.573 503 1HG GLN 63 HG2 GLN 63 15.831 6.549 -4.513 504 2HG GLN 63 HG1 GLN 63 14.921 7.905 -5.172 505 1HE2 GLN 63 1HE2 GLN 63 16.924 6.887 -2.462 506 2HE2 GLN 63 2HE2 GLN 63 17.533 8.459 -2.082 507 H HIS 64 HN HIS 64 11.770 4.028 -4.660 508 HA HIS 64 HA HIS 64 10.364 4.130 -2.078 509 1HB HIS 64 HB2 HIS 64 8.774 4.857 -3.632 510 2HB HIS 64 HB1 HIS 64 9.415 3.840 -4.880 511 HD1 HIS 64 HD1 HIS 64 6.811 3.276 -5.230 512 HD2 HIS 64 HD2 HIS 64 8.558 1.786 -1.770 513 HE1 HIS 64 HE1 HIS 64 5.254 1.482 -4.408 514 HE2 HIS 64 HE2 HIS 64 6.295 0.650 -2.271 515 H PHE 65 HN PHE 65 10.477 2.337 -0.901 516 HA PHE 65 HA PHE 65 10.333 -0.284 -1.884 517 1HB PHE 65 HB2 PHE 65 12.706 0.704 -2.557 518 2HB PHE 65 HB1 PHE 65 13.093 0.251 -0.907 519 HD1 PHE 65 HD1 PHE 65 11.168 -2.211 -0.943 520 HD2 PHE 65 HD2 PHE 65 14.241 -0.841 -3.551 521 HE1 PHE 65 HE1 PHE 65 11.553 -4.520 -1.698 522 HE2 PHE 65 HE2 PHE 65 14.630 -3.149 -4.309 523 HZ PHE 65 HZ PHE 65 13.284 -4.991 -3.385 524 H SER 66 HN SER 66 12.498 -0.983 0.260 525 HA SER 66 HA SER 66 12.517 -1.680 2.404 526 1HB SER 66 HB2 SER 66 11.753 1.146 2.440 527 2HB SER 66 HB1 SER 66 11.289 0.270 3.897 528 HG SER 66 HG SER 66 13.740 1.071 3.086 529 H LEU 67 HN LEU 67 11.246 -2.291 4.315 530 HA LEU 67 HA LEU 67 8.412 -2.734 3.663 531 1HB LEU 67 HB2 LEU 67 9.576 -4.813 3.333 532 2HB LEU 67 HB1 LEU 67 10.381 -4.661 4.883 533 HG LEU 67 HG LEU 67 7.396 -4.804 4.802 534 1HD1 LEU 67 1HD1 LEU 67 7.344 -7.133 4.666 535 2HD1 LEU 67 2HD1 LEU 67 9.086 -7.279 4.900 536 3HD1 LEU 67 3HD1 LEU 67 8.449 -6.652 3.378 537 1HD2 LEU 67 1HD2 LEU 67 8.280 -6.284 6.898 538 2HD2 LEU 67 2HD2 LEU 67 7.895 -4.565 6.979 539 3HD2 LEU 67 3HD2 LEU 67 9.566 -5.085 6.759 540 H PHE 68 HN PHE 68 7.264 -1.532 5.033 541 HA PHE 68 HA PHE 68 8.258 -0.796 7.620 542 1HB PHE 68 HB2 PHE 68 6.913 0.934 7.172 543 2HB PHE 68 HB1 PHE 68 6.180 0.073 5.829 544 HD1 PHE 68 HD1 PHE 68 5.599 1.580 8.939 545 HD2 PHE 68 HD2 PHE 68 4.341 -1.675 6.511 546 HE1 PHE 68 HE1 PHE 68 3.466 1.499 10.159 547 HE2 PHE 68 HE2 PHE 68 2.205 -1.766 7.726 548 HZ PHE 68 HZ PHE 68 1.761 -0.173 9.553 549 H GLU 69 HN GLU 69 5.817 -3.012 6.375 550 HA GLU 69 HA GLU 69 6.025 -4.739 8.603 551 1HB GLU 69 HB2 GLU 69 4.459 -2.599 9.206 552 2HB GLU 69 HB1 GLU 69 3.260 -3.711 8.561 553 1HG GLU 69 HG2 GLU 69 4.547 -5.379 10.202 554 2HG GLU 69 HG1 GLU 69 4.849 -3.860 11.043 555 H LYS 70 HN LYS 70 4.420 -6.545 8.472 556 HA LYS 70 HA LYS 70 3.120 -6.800 5.870 557 1HB LYS 70 HB2 LYS 70 4.128 -9.143 5.686 558 2HB LYS 70 HB1 LYS 70 5.181 -7.786 5.315 559 1HG LYS 70 HG2 LYS 70 6.642 -8.523 6.800 560 2HG LYS 70 HG1 LYS 70 5.442 -8.316 8.077 561 1HD LYS 70 HD2 LYS 70 4.563 -10.623 7.094 562 2HD LYS 70 HD1 LYS 70 6.253 -10.764 6.602 563 1HE LYS 70 HE2 LYS 70 5.788 -9.880 9.376 564 2HE LYS 70 HE1 LYS 70 5.312 -11.537 9.011 565 1HZ LYS 70 HZ1 LYS 70 7.439 -12.179 8.709 566 2HZ LYS 70 HZ2 LYS 70 7.768 -10.866 9.725 567 3HZ LYS 70 HZ3 LYS 70 7.928 -10.699 8.049 568 H LEU 71 HN LEU 71 1.078 -7.279 6.387 569 HA LEU 71 HA LEU 71 0.552 -8.944 8.738 570 1HB LEU 71 HB2 LEU 71 -0.648 -6.862 8.714 571 2HB LEU 71 HB1 LEU 71 -1.226 -7.155 7.085 572 HG LEU 71 HG LEU 71 -2.396 -9.222 8.104 573 1HD1 LEU 71 1HD1 LEU 71 -1.427 -9.348 10.243 574 2HD1 LEU 71 2HD1 LEU 71 -3.065 -8.749 10.504 575 3HD1 LEU 71 3HD1 LEU 71 -1.700 -7.634 10.555 576 1HD2 LEU 71 1HD2 LEU 71 -3.863 -7.024 9.232 577 2HD2 LEU 71 2HD2 LEU 71 -4.213 -7.985 7.797 578 3HD2 LEU 71 3HD2 LEU 71 -3.173 -6.568 7.676 579 H GLU 72 HN GLU 72 -0.101 -10.992 8.548 580 HA GLU 72 HA GLU 72 -1.204 -11.887 5.979 581 1HB GLU 72 HB2 GLU 72 0.956 -12.730 5.809 582 2HB GLU 72 HB1 GLU 72 1.091 -13.015 7.537 583 1HG GLU 72 HG2 GLU 72 0.183 -15.063 7.410 584 2HG GLU 72 HG1 GLU 72 -0.958 -14.598 6.149 585 H TYR 73 HN TYR 73 -3.234 -12.451 6.388 586 HA TYR 73 HA TYR 73 -3.760 -14.297 8.598 587 1HB TYR 73 HB2 TYR 73 -5.738 -13.094 9.304 588 2HB TYR 73 HB1 TYR 73 -4.355 -12.007 9.372 589 HD1 TYR 73 HD1 TYR 73 -3.988 -10.716 7.002 590 HD2 TYR 73 HD2 TYR 73 -7.687 -12.181 8.505 591 HE1 TYR 73 HE1 TYR 73 -5.192 -9.092 5.603 592 HE2 TYR 73 HE2 TYR 73 -8.902 -10.561 7.111 593 HH TYR 73 HH TYR 73 -7.329 -8.694 4.663 594 H GLU 74 HN GLU 74 -5.566 -15.675 8.260 595 HA GLU 74 HA GLU 74 -6.568 -15.650 5.490 596 1HB GLU 74 HB2 GLU 74 -6.756 -18.189 5.808 597 2HB GLU 74 HB1 GLU 74 -5.158 -17.511 5.537 598 1HG GLU 74 HG2 GLU 74 -5.037 -17.475 8.136 599 2HG GLU 74 HG1 GLU 74 -6.332 -18.664 8.022 600 H PHE 75 HN PHE 75 -8.654 -15.501 5.259 601 HA PHE 75 HA PHE 75 -10.436 -15.479 7.493 602 1HB PHE 75 HB2 PHE 75 -10.494 -14.697 4.705 603 2HB PHE 75 HB1 PHE 75 -11.964 -15.559 5.140 604 HD1 PHE 75 HD1 PHE 75 -9.778 -13.085 6.884 605 HD2 PHE 75 HD2 PHE 75 -13.690 -14.118 5.564 606 HE1 PHE 75 HE1 PHE 75 -10.664 -11.036 7.919 607 HE2 PHE 75 HE2 PHE 75 -14.582 -12.070 6.596 608 HZ PHE 75 HZ PHE 75 -13.069 -10.527 7.775 609 HA PRO 76 HA PRO 76 -12.066 -19.558 7.764 610 1HB PRO 76 HB2 PRO 76 -14.755 -19.148 7.063 611 2HB PRO 76 HB1 PRO 76 -14.072 -19.057 8.688 612 1HG PRO 76 HG2 PRO 76 -14.694 -16.871 6.766 613 2HG PRO 76 HG1 PRO 76 -14.804 -16.881 8.535 614 1HD PRO 76 HD2 PRO 76 -12.804 -15.632 7.265 615 2HD PRO 76 HD1 PRO 76 -12.531 -16.477 8.801 616 H ASP 77 HN ASP 77 -10.816 -20.122 5.891 617 HA ASP 77 HA ASP 77 -10.799 -21.623 4.115 618 1HB ASP 77 HB2 ASP 77 -13.461 -20.515 3.211 619 2HB ASP 77 HB1 ASP 77 -12.663 -21.982 2.655 620 H ARG 78 HN ARG 78 -10.223 -18.618 4.363 621 HA ARG 78 HA ARG 78 -9.524 -18.267 1.540 622 1HB ARG 78 HB2 ARG 78 -11.574 -16.929 2.081 623 2HB ARG 78 HB1 ARG 78 -10.624 -16.042 3.263 624 1HG ARG 78 HG2 ARG 78 -10.340 -14.608 1.561 625 2HG ARG 78 HG1 ARG 78 -9.068 -15.736 1.091 626 1HD ARG 78 HD2 ARG 78 -10.115 -16.092 -0.833 627 2HD ARG 78 HD1 ARG 78 -11.502 -16.730 0.047 628 HE ARG 78 HE ARG 78 -11.220 -14.082 -1.102 629 1HH1 ARG 78 1HH1 ARG 78 -13.040 -16.163 1.034 630 2HH1 ARG 78 2HH1 ARG 78 -14.463 -15.178 0.980 631 1HH2 ARG 78 1HH2 ARG 78 -13.091 -12.790 -1.170 632 2HH2 ARG 78 2HH2 ARG 78 -14.492 -13.266 -0.270 633 H HIS 79 HN HIS 79 -7.607 -17.076 1.179 634 HA HIS 79 HA HIS 79 -6.018 -16.561 3.608 635 1HB HIS 79 HB2 HIS 79 -5.492 -18.442 1.625 636 2HB HIS 79 HB1 HIS 79 -4.429 -17.096 1.228 637 HD1 HIS 79 HD1 HIS 79 -2.549 -16.530 2.918 638 HD2 HIS 79 HD2 HIS 79 -4.857 -19.821 3.970 639 HE1 HIS 79 HE1 HIS 79 -1.283 -17.675 4.764 640 HE2 HIS 79 HE2 HIS 79 -2.742 -19.613 5.445 641 H ILE 80 HN ILE 80 -6.272 -14.372 3.758 642 HA ILE 80 HA ILE 80 -5.652 -12.748 1.400 643 HB ILE 80 HB ILE 80 -7.725 -12.080 2.312 644 1HG1 ILE 80 2HG1 ILE 80 -6.172 -10.039 3.766 645 2HG1 ILE 80 1HG1 ILE 80 -5.658 -10.331 2.108 646 1HG2 ILE 80 1HG2 ILE 80 -7.693 -13.183 4.426 647 2HG2 ILE 80 2HG2 ILE 80 -7.981 -11.469 4.721 648 3HG2 ILE 80 3HG2 ILE 80 -6.381 -12.156 5.005 649 1HD1 ILE 80 1HD1 ILE 80 -7.206 -8.572 2.004 650 2HD1 ILE 80 2HD1 ILE 80 -8.332 -9.392 3.085 651 3HD1 ILE 80 3HD1 ILE 80 -8.077 -10.001 1.449 652 H THR 81 HN THR 81 -3.588 -12.195 1.244 653 HA THR 81 HA THR 81 -2.092 -11.566 3.706 654 HB THR 81 HB THR 81 -1.142 -12.659 1.050 655 HG1 THR 81 HG1 THR 81 -0.542 -14.425 2.326 656 1HG2 THR 81 1HG2 THR 81 0.355 -11.232 3.082 657 2HG2 THR 81 2HG2 THR 81 0.824 -11.722 1.454 658 3HG2 THR 81 3HG2 THR 81 0.969 -12.861 2.793 659 H LEU 82 HN LEU 82 -1.406 -9.513 3.949 660 HA LEU 82 HA LEU 82 -1.195 -7.845 1.533 661 1HB LEU 82 HB2 LEU 82 -1.814 -6.226 3.816 662 2HB LEU 82 HB1 LEU 82 -2.656 -6.354 2.287 663 HG LEU 82 HG LEU 82 -3.561 -8.593 3.516 664 1HD1 LEU 82 1HD1 LEU 82 -2.554 -6.778 5.601 665 2HD1 LEU 82 2HD1 LEU 82 -2.849 -8.517 5.650 666 3HD1 LEU 82 3HD1 LEU 82 -4.192 -7.389 5.842 667 1HD2 LEU 82 1HD2 LEU 82 -5.422 -6.848 4.338 668 2HD2 LEU 82 2HD2 LEU 82 -5.239 -7.346 2.655 669 3HD2 LEU 82 3HD2 LEU 82 -4.538 -5.824 3.207 670 H TRP 83 HN TRP 83 0.839 -7.243 1.232 671 HA TRP 83 HA TRP 83 2.658 -7.074 3.514 672 1HB TRP 83 HB2 TRP 83 3.117 -7.090 0.530 673 2HB TRP 83 HB1 TRP 83 4.405 -6.795 1.694 674 HD1 TRP 83 HD1 TRP 83 1.662 -9.450 2.145 675 HE1 TRP 83 HE1 TRP 83 2.787 -11.764 2.225 676 HE3 TRP 83 HE3 TRP 83 6.462 -8.060 1.073 677 HZ2 TRP 83 HZ2 TRP 83 5.366 -12.857 1.879 678 HZ3 TRP 83 HZ3 TRP 83 8.199 -9.799 0.966 679 HH2 TRP 83 HH2 TRP 83 7.661 -12.148 1.362 680 H PHE 84 HN PHE 84 3.154 -5.193 4.422 681 HA PHE 84 HA PHE 84 2.504 -2.724 2.978 682 1HB PHE 84 HB2 PHE 84 2.895 -3.326 5.902 683 2HB PHE 84 HB1 PHE 84 2.932 -1.678 5.294 684 HD1 PHE 84 HD1 PHE 84 0.731 -4.515 4.311 685 HD2 PHE 84 HD2 PHE 84 1.024 -0.676 6.137 686 HE1 PHE 84 HE1 PHE 84 -1.720 -4.401 4.471 687 HE2 PHE 84 HE2 PHE 84 -1.425 -0.562 6.294 688 HZ PHE 84 HZ PHE 84 -2.800 -2.425 5.462 689 H TRP 85 HN TRP 85 4.151 -1.924 1.832 690 HA TRP 85 HA TRP 85 6.891 -2.261 2.788 691 1HB TRP 85 HB2 TRP 85 5.870 -1.218 0.137 692 2HB TRP 85 HB1 TRP 85 7.559 -1.511 0.542 693 HD1 TRP 85 HD1 TRP 85 4.265 -3.465 0.025 694 HE1 TRP 85 HE1 TRP 85 4.855 -5.861 -0.698 695 HE3 TRP 85 HE3 TRP 85 9.353 -3.223 0.477 696 HZ2 TRP 85 HZ2 TRP 85 7.169 -7.440 -1.035 697 HZ3 TRP 85 HZ3 TRP 85 10.680 -5.221 -0.064 698 HH2 TRP 85 HH2 TRP 85 9.609 -7.285 -0.805 699 H LEU 86 HN LEU 86 8.336 -0.499 3.064 700 HA LEU 86 HA LEU 86 6.953 2.015 3.676 701 1HB LEU 86 HB2 LEU 86 8.146 1.019 5.524 702 2HB LEU 86 HB1 LEU 86 9.621 0.955 4.583 703 HG LEU 86 HG LEU 86 9.227 3.584 4.467 704 1HD1 LEU 86 1HD1 LEU 86 8.206 3.066 7.222 705 2HD1 LEU 86 2HD1 LEU 86 7.075 3.134 5.870 706 3HD1 LEU 86 3HD1 LEU 86 8.097 4.524 6.234 707 1HD2 LEU 86 1HD2 LEU 86 10.470 3.527 6.835 708 2HD2 LEU 86 2HD2 LEU 86 11.256 3.060 5.327 709 3HD2 LEU 86 3HD2 LEU 86 10.605 1.823 6.401 710 H VAL 87 HN VAL 87 6.934 3.269 1.948 711 HA VAL 87 HA VAL 87 9.136 3.511 0.096 712 HB VAL 87 HB VAL 87 6.752 5.302 0.306 713 1HG1 VAL 87 1HG1 VAL 87 7.784 6.304 -1.384 714 2HG1 VAL 87 2HG1 VAL 87 7.344 4.895 -2.348 715 3HG1 VAL 87 3HG1 VAL 87 8.925 4.977 -1.576 716 1HG2 VAL 87 1HG2 VAL 87 6.918 2.473 -0.432 717 2HG2 VAL 87 2HG2 VAL 87 6.119 3.481 -1.644 718 3HG2 VAL 87 3HG2 VAL 87 5.510 3.442 0.012 719 H GLU 88 HN GLU 88 10.485 5.324 -0.173 720 HA GLU 88 HA GLU 88 10.421 7.083 2.173 721 1HB GLU 88 HB2 GLU 88 12.402 5.586 1.921 722 2HB GLU 88 HB1 GLU 88 12.830 6.482 0.469 723 1HG GLU 88 HG2 GLU 88 12.955 8.541 1.842 724 2HG GLU 88 HG1 GLU 88 12.673 7.554 3.274 725 H ARG 89 HN ARG 89 11.025 7.254 -1.374 726 HA ARG 89 HA ARG 89 10.000 9.931 -1.377 727 1HB ARG 89 HB2 ARG 89 12.283 10.707 -2.513 728 2HB ARG 89 HB1 ARG 89 11.972 10.874 -0.793 729 1HG ARG 89 HG2 ARG 89 13.078 8.303 -1.195 730 2HG ARG 89 HG1 ARG 89 14.052 9.451 -2.114 731 1HD ARG 89 HD2 ARG 89 13.300 10.296 0.607 732 2HD ARG 89 HD1 ARG 89 14.407 8.928 0.510 733 HE ARG 89 HE ARG 89 15.267 11.017 -1.191 734 1HH1 ARG 89 1HH1 ARG 89 15.093 10.131 2.179 735 2HH1 ARG 89 2HH1 ARG 89 16.463 11.088 2.631 736 1HH2 ARG 89 1HH2 ARG 89 17.069 12.279 -0.600 737 2HH2 ARG 89 2HH2 ARG 89 17.584 12.308 1.054 738 H TRP 90 HN TRP 90 10.140 10.977 -3.563 739 HA TRP 90 HA TRP 90 10.425 9.026 -5.710 740 1HB TRP 90 HB2 TRP 90 8.314 9.672 -6.734 741 2HB TRP 90 HB1 TRP 90 8.048 9.031 -5.117 742 HD1 TRP 90 HD1 TRP 90 8.079 12.373 -7.029 743 HE1 TRP 90 HE1 TRP 90 6.543 14.020 -5.761 744 HE3 TRP 90 HE3 TRP 90 7.038 9.514 -2.941 745 HZ2 TRP 90 HZ2 TRP 90 5.065 14.069 -3.339 746 HZ3 TRP 90 HZ3 TRP 90 5.544 10.408 -1.205 747 HH2 TRP 90 HH2 TRP 90 4.578 12.635 -1.393 748 H GLU 91 HN GLU 91 10.871 9.864 -7.773 749 HA GLU 91 HA GLU 91 11.962 12.580 -7.696 750 1HB GLU 91 HB2 GLU 91 12.999 10.212 -8.646 751 2HB GLU 91 HB1 GLU 91 12.435 10.995 -10.116 752 1HG GLU 91 HG2 GLU 91 13.748 13.007 -8.742 753 2HG GLU 91 HG1 GLU 91 14.739 11.575 -8.469 754 H GLY 92 HN GLY 92 10.236 13.923 -8.084 755 1HA GLY 92 HA2 GLY 92 9.266 15.168 -9.929 756 2HA GLY 92 HA1 GLY 92 9.002 13.640 -10.750 757 H GLU 93 HN GLU 93 6.841 13.643 -11.021 758 HA GLU 93 HA GLU 93 5.151 14.118 -8.666 759 1HB GLU 93 HB2 GLU 93 4.835 15.429 -10.855 760 2HB GLU 93 HB1 GLU 93 4.172 13.935 -11.503 761 1HG GLU 93 HG2 GLU 93 2.272 14.078 -10.279 762 2HG GLU 93 HG1 GLU 93 3.066 14.899 -8.935 763 HA PRO 94 HA PRO 94 4.509 9.673 -8.736 764 1HB PRO 94 HB2 PRO 94 2.706 10.043 -6.501 765 2HB PRO 94 HB1 PRO 94 4.303 9.297 -6.519 766 1HG PRO 94 HG2 PRO 94 3.787 11.655 -5.281 767 2HG PRO 94 HG1 PRO 94 5.359 11.244 -5.982 768 1HD PRO 94 HD2 PRO 94 3.173 12.943 -7.125 769 2HD PRO 94 HD1 PRO 94 4.929 13.231 -7.103 770 H TRP 95 HN TRP 95 3.085 8.575 -9.965 771 HA TRP 95 HA TRP 95 0.316 9.516 -9.893 772 1HB TRP 95 HB2 TRP 95 0.189 8.671 -12.338 773 2HB TRP 95 HB1 TRP 95 0.882 10.250 -12.012 774 HD1 TRP 95 HD1 TRP 95 3.686 10.269 -12.010 775 HE1 TRP 95 HE1 TRP 95 5.276 9.080 -13.659 776 HE3 TRP 95 HE3 TRP 95 0.543 6.590 -13.627 777 HZ2 TRP 95 HZ2 TRP 95 5.180 6.890 -15.431 778 HZ3 TRP 95 HZ3 TRP 95 1.361 4.995 -15.309 779 HH2 TRP 95 HH2 TRP 95 3.636 5.134 -16.181 780 H GLY 96 HN GLY 96 1.862 6.807 -11.560 781 1HA GLY 96 HA2 GLY 96 1.526 4.535 -11.362 782 2HA GLY 96 HA1 GLY 96 0.936 4.854 -9.742 783 H LYS 97 HN LYS 97 -1.304 5.892 -9.696 784 HA LYS 97 HA LYS 97 -3.493 6.060 -10.476 785 1HB LYS 97 HB2 LYS 97 -2.498 5.441 -12.826 786 2HB LYS 97 HB1 LYS 97 -3.105 3.836 -12.443 787 1HG LYS 97 HG2 LYS 97 -4.765 4.947 -13.725 788 2HG LYS 97 HG1 LYS 97 -5.351 4.860 -12.062 789 1HD LYS 97 HD2 LYS 97 -5.784 7.059 -13.015 790 2HD LYS 97 HD1 LYS 97 -4.623 7.172 -11.692 791 1HE LYS 97 HE2 LYS 97 -4.033 8.547 -13.683 792 2HE LYS 97 HE1 LYS 97 -2.796 7.377 -13.225 793 1HZ LYS 97 HZ1 LYS 97 -3.180 7.438 -15.625 794 2HZ LYS 97 HZ2 LYS 97 -4.792 6.985 -15.390 795 3HZ LYS 97 HZ3 LYS 97 -3.546 5.918 -14.976 796 H GLU 98 HN GLU 98 -3.350 5.089 -8.255 797 HA GLU 98 HA GLU 98 -3.851 2.244 -8.053 798 1HB GLU 98 HB2 GLU 98 -3.829 2.574 -5.687 799 2HB GLU 98 HB1 GLU 98 -2.530 3.547 -6.360 800 1HG GLU 98 HG2 GLU 98 -3.403 5.073 -4.945 801 2HG GLU 98 HG1 GLU 98 -4.421 5.403 -6.346 802 H GLY 99 HN GLY 99 -5.679 5.252 -7.871 803 1HA GLY 99 HA2 GLY 99 -8.101 4.140 -8.644 804 2HA GLY 99 HA1 GLY 99 -8.083 4.097 -6.888 805 H GLN 100 HN GLN 100 -6.966 6.428 -6.144 806 HA GLN 100 HA GLN 100 -8.382 8.564 -7.570 807 1HB GLN 100 HB2 GLN 100 -8.746 7.832 -4.672 808 2HB GLN 100 HB1 GLN 100 -9.127 9.434 -5.289 809 1HG GLN 100 HG2 GLN 100 -11.162 8.320 -5.307 810 2HG GLN 100 HG1 GLN 100 -10.614 8.232 -6.980 811 1HE2 GLN 100 1HE2 GLN 100 -10.204 6.389 -3.970 812 2HE2 GLN 100 2HE2 GLN 100 -10.457 4.837 -4.686 813 HA PRO 101 HA PRO 101 -4.367 10.488 -7.252 814 1HB PRO 101 HB2 PRO 101 -6.286 12.781 -7.499 815 2HB PRO 101 HB1 PRO 101 -4.721 12.552 -8.291 816 1HG PRO 101 HG2 PRO 101 -6.932 12.074 -9.635 817 2HG PRO 101 HG1 PRO 101 -5.575 10.936 -9.756 818 1HD PRO 101 HD2 PRO 101 -8.144 10.668 -8.273 819 2HD PRO 101 HD1 PRO 101 -7.165 9.422 -9.075 820 H GLY 102 HN GLY 102 -3.231 11.482 -5.625 821 1HA GLY 102 HA2 GLY 102 -4.768 12.597 -3.369 822 2HA GLY 102 HA1 GLY 102 -3.512 11.403 -3.083 823 H GLU 103 HN GLU 103 -3.121 13.573 -1.711 824 HA GLU 103 HA GLU 103 -1.067 15.071 -3.203 825 1HB GLU 103 HB2 GLU 103 -2.836 16.180 -1.016 826 2HB GLU 103 HB1 GLU 103 -1.605 17.063 -1.908 827 1HG GLU 103 HG2 GLU 103 -3.521 17.735 -2.969 828 2HG GLU 103 HG1 GLU 103 -3.008 16.391 -3.988 829 H TRP 104 HN TRP 104 0.725 15.871 -1.882 830 HA TRP 104 HA TRP 104 1.744 13.903 -0.151 831 1HB TRP 104 HB2 TRP 104 2.708 16.755 -0.042 832 2HB TRP 104 HB1 TRP 104 3.647 15.273 0.078 833 HD1 TRP 104 HD1 TRP 104 2.228 14.063 -2.693 834 HE1 TRP 104 HE1 TRP 104 3.168 14.924 -4.929 835 HE3 TRP 104 HE3 TRP 104 4.494 18.334 -1.031 836 HZ2 TRP 104 HZ2 TRP 104 4.673 17.121 -5.864 837 HZ3 TRP 104 HZ3 TRP 104 5.663 19.760 -2.661 838 HH2 TRP 104 HH2 TRP 104 5.751 19.164 -5.027 839 H MET 105 HN MET 105 0.736 13.400 1.698 840 HA MET 105 HA MET 105 0.060 15.597 3.541 841 1HB MET 105 HB2 MET 105 -1.685 14.034 4.479 842 2HB MET 105 HB1 MET 105 -2.008 14.659 2.868 843 1HG MET 105 HG2 MET 105 -0.792 12.400 2.176 844 2HG MET 105 HG1 MET 105 -1.403 11.903 3.753 845 1HE MET 105 HE1 MET 105 -5.193 12.626 3.422 846 2HE MET 105 HE2 MET 105 -4.324 14.144 3.195 847 3HE MET 105 HE3 MET 105 -3.777 12.987 4.410 848 H SER 106 HN SER 106 0.288 15.181 5.802 849 HA SER 106 HA SER 106 2.651 13.705 6.418 850 1HB SER 106 HB2 SER 106 1.631 14.323 8.860 851 2HB SER 106 HB1 SER 106 2.574 15.445 7.878 852 HG SER 106 HG SER 106 0.792 16.521 7.357 853 H LEU 107 HN LEU 107 2.838 11.646 6.973 854 HA LEU 107 HA LEU 107 0.492 10.004 7.287 855 1HB LEU 107 HB2 LEU 107 2.788 9.464 6.153 856 2HB LEU 107 HB1 LEU 107 3.272 9.020 7.775 857 HG LEU 107 HG LEU 107 2.477 7.134 6.287 858 1HD1 LEU 107 1HD1 LEU 107 1.822 5.946 8.105 859 2HD1 LEU 107 2HD1 LEU 107 0.703 7.191 8.657 860 3HD1 LEU 107 3HD1 LEU 107 2.434 7.379 8.931 861 1HD2 LEU 107 1HD2 LEU 107 0.482 8.633 5.510 862 2HD2 LEU 107 2HD2 LEU 107 -0.304 7.989 6.952 863 3HD2 LEU 107 3HD2 LEU 107 0.266 6.891 5.694 864 H VAL 108 HN VAL 108 2.623 11.655 9.396 865 HA VAL 108 HA VAL 108 2.681 10.051 11.647 866 HB VAL 108 HB VAL 108 3.954 12.134 11.453 867 1HG1 VAL 108 1HG1 VAL 108 2.633 13.741 10.481 868 2HG1 VAL 108 2HG1 VAL 108 2.577 14.243 12.171 869 3HG1 VAL 108 3HG1 VAL 108 1.229 13.345 11.472 870 1HG2 VAL 108 1HG2 VAL 108 3.328 11.057 13.680 871 2HG2 VAL 108 2HG2 VAL 108 2.173 12.378 13.859 872 3HG2 VAL 108 3HG2 VAL 108 3.896 12.726 13.722 873 H GLY 109 HN GLY 109 -0.048 11.605 10.239 874 1HA GLY 109 HA2 GLY 109 -1.596 11.003 12.680 875 2HA GLY 109 HA1 GLY 109 -1.927 12.407 11.681 876 H LEU 110 HN LEU 110 -1.229 9.079 10.647 877 HA LEU 110 HA LEU 110 -3.319 9.044 8.754 878 1HB LEU 110 HB2 LEU 110 -1.192 7.547 8.988 879 2HB LEU 110 HB1 LEU 110 -2.227 6.538 9.980 880 HG LEU 110 HG LEU 110 -3.198 7.321 7.272 881 1HD1 LEU 110 1HD1 LEU 110 -0.688 6.108 7.624 882 2HD1 LEU 110 2HD1 LEU 110 -1.617 6.265 6.133 883 3HD1 LEU 110 3HD1 LEU 110 -1.798 4.826 7.136 884 1HD2 LEU 110 1HD2 LEU 110 -4.779 6.088 8.422 885 2HD2 LEU 110 2HD2 LEU 110 -3.571 5.064 9.197 886 3HD2 LEU 110 3HD2 LEU 110 -3.946 4.848 7.488 887 H ASN 111 HN ASN 111 -5.359 7.992 8.795 888 HA ASN 111 HA ASN 111 -6.329 7.381 11.499 889 1HB ASN 111 HB2 ASN 111 -7.205 9.390 9.677 890 2HB ASN 111 HB1 ASN 111 -8.502 8.225 9.895 891 1HD2 ASN 111 1HD2 ASN 111 -8.246 7.464 12.464 892 2HD2 ASN 111 2HD2 ASN 111 -8.485 8.809 13.521 893 H ALA 112 HN ALA 112 -7.343 5.551 11.838 894 HA ALA 112 HA ALA 112 -7.535 3.592 9.771 895 1HB ALA 112 HB1 ALA 112 -8.822 3.342 12.474 896 2HB ALA 112 HB2 ALA 112 -7.077 3.203 12.266 897 3HB ALA 112 HB3 ALA 112 -8.154 2.074 11.443 898 H ASP 113 HN ASP 113 -9.569 6.095 10.857 899 HA ASP 113 HA ASP 113 -12.080 4.848 10.238 900 1HB ASP 113 HB2 ASP 113 -11.503 6.884 11.831 901 2HB ASP 113 HB1 ASP 113 -11.786 7.816 10.363 902 H ASP 114 HN ASP 114 -10.079 7.349 8.662 903 HA ASP 114 HA ASP 114 -11.783 7.647 6.423 904 1HB ASP 114 HB2 ASP 114 -9.160 8.322 5.614 905 2HB ASP 114 HB1 ASP 114 -10.458 9.405 6.075 906 H PHE 115 HN PHE 115 -8.984 5.607 7.048 907 HA PHE 115 HA PHE 115 -8.902 4.587 4.359 908 1HB PHE 115 HB2 PHE 115 -6.899 3.703 4.974 909 2HB PHE 115 HB1 PHE 115 -7.076 4.723 6.404 910 HD1 PHE 115 HD1 PHE 115 -5.873 1.735 5.638 911 HD2 PHE 115 HD2 PHE 115 -9.020 3.355 7.975 912 HE1 PHE 115 HE1 PHE 115 -5.827 -0.253 7.077 913 HE2 PHE 115 HE2 PHE 115 -8.981 1.374 9.430 914 HZ PHE 115 HZ PHE 115 -7.385 -0.433 8.973 915 HA PRO 116 HA PRO 116 -11.579 1.090 4.799 916 1HB PRO 116 HB2 PRO 116 -10.219 -1.027 3.822 917 2HB PRO 116 HB1 PRO 116 -10.775 0.294 2.789 918 1HG PRO 116 HG2 PRO 116 -8.053 -0.211 3.921 919 2HG PRO 116 HG1 PRO 116 -8.508 0.335 2.297 920 1HD PRO 116 HD2 PRO 116 -7.626 2.016 4.259 921 2HD PRO 116 HD1 PRO 116 -8.721 2.522 2.959 922 HA PRO 117 HA PRO 117 -10.582 -0.530 8.869 923 1HB PRO 117 HB2 PRO 117 -12.798 -2.153 9.073 924 2HB PRO 117 HB1 PRO 117 -12.781 -0.427 9.448 925 1HG PRO 117 HG2 PRO 117 -13.677 -1.815 6.955 926 2HG PRO 117 HG1 PRO 117 -14.423 -0.451 7.808 927 1HD PRO 117 HD2 PRO 117 -12.968 -0.084 5.588 928 2HD PRO 117 HD1 PRO 117 -12.923 1.083 6.927 929 H ALA 118 HN ALA 118 -10.928 -2.355 5.972 930 HA ALA 118 HA ALA 118 -10.547 -4.954 7.006 931 1HB ALA 118 HB1 ALA 118 -9.508 -4.374 4.308 932 2HB ALA 118 HB2 ALA 118 -11.210 -4.005 4.592 933 3HB ALA 118 HB3 ALA 118 -10.605 -5.641 4.859 934 H ASN 119 HN ASN 119 -8.399 -2.357 6.909 935 HA ASN 119 HA ASN 119 -6.122 -4.200 7.203 936 1HB ASN 119 HB2 ASN 119 -6.502 -2.060 5.296 937 2HB ASN 119 HB1 ASN 119 -5.079 -1.757 6.286 938 1HD2 ASN 119 1HD2 ASN 119 -4.209 -4.329 6.740 939 2HD2 ASN 119 2HD2 ASN 119 -3.701 -5.034 5.247 940 H GLU 120 HN GLU 120 -7.734 -3.195 9.321 941 HA GLU 120 HA GLU 120 -6.448 -0.934 10.516 942 1HB GLU 120 HB2 GLU 120 -8.816 -2.421 10.961 943 2HB GLU 120 HB1 GLU 120 -7.894 -2.451 12.458 944 1HG GLU 120 HG2 GLU 120 -7.722 0.023 12.326 945 2HG GLU 120 HG1 GLU 120 -8.801 -0.025 10.931 946 HA PRO 121 HA PRO 121 -4.783 -4.655 13.433 947 1HB PRO 121 HB2 PRO 121 -3.983 -6.198 10.997 948 2HB PRO 121 HB1 PRO 121 -4.386 -6.786 12.616 949 1HG PRO 121 HG2 PRO 121 -6.157 -6.964 10.640 950 2HG PRO 121 HG1 PRO 121 -6.670 -6.541 12.284 951 1HD PRO 121 HD2 PRO 121 -6.434 -4.821 9.874 952 2HD PRO 121 HD1 PRO 121 -7.538 -4.685 11.256 953 H VAL 122 HN VAL 122 -3.497 -3.882 10.211 954 HA VAL 122 HA VAL 122 -0.776 -3.793 11.116 955 HB VAL 122 HB VAL 122 -1.639 -2.483 8.574 956 1HG1 VAL 122 1HG1 VAL 122 0.761 -3.944 9.587 957 2HG1 VAL 122 2HG1 VAL 122 0.653 -2.356 8.828 958 3HG1 VAL 122 3HG1 VAL 122 0.471 -3.814 7.853 959 1HG2 VAL 122 1HG2 VAL 122 -1.885 -5.380 9.215 960 2HG2 VAL 122 2HG2 VAL 122 -1.338 -4.907 7.606 961 3HG2 VAL 122 3HG2 VAL 122 -2.904 -4.355 8.203 962 H ILE 123 HN ILE 123 -3.110 -1.355 10.013 963 HA ILE 123 HA ILE 123 -1.456 0.872 10.515 964 HB ILE 123 HB ILE 123 -4.466 0.711 10.341 965 1HG1 ILE 123 2HG1 ILE 123 -2.664 0.141 8.386 966 2HG1 ILE 123 1HG1 ILE 123 -4.269 0.791 8.085 967 1HG2 ILE 123 1HG2 ILE 123 -4.106 3.185 9.654 968 2HG2 ILE 123 2HG2 ILE 123 -2.585 3.027 10.533 969 3HG2 ILE 123 3HG2 ILE 123 -4.117 2.756 11.365 970 1HD1 ILE 123 1HD1 ILE 123 -1.928 2.602 8.503 971 2HD1 ILE 123 2HD1 ILE 123 -3.465 2.930 7.700 972 3HD1 ILE 123 3HD1 ILE 123 -2.269 1.885 6.927 973 H ALA 124 HN ALA 124 -3.725 -0.895 12.526 974 HA ALA 124 HA ALA 124 -4.100 0.922 14.589 975 1HB ALA 124 HB1 ALA 124 -4.179 -1.307 15.999 976 2HB ALA 124 HB2 ALA 124 -4.155 -2.046 14.398 977 3HB ALA 124 HB3 ALA 124 -5.439 -0.916 14.829 978 H LYS 125 HN LYS 125 -1.330 -1.023 13.781 979 HA LYS 125 HA LYS 125 -0.020 -0.720 16.316 980 1HB LYS 125 HB2 LYS 125 0.338 -2.535 14.500 981 2HB LYS 125 HB1 LYS 125 1.399 -1.353 13.748 982 1HG LYS 125 HG2 LYS 125 3.023 -2.143 15.031 983 2HG LYS 125 HG1 LYS 125 2.201 -1.396 16.403 984 1HD LYS 125 HD2 LYS 125 1.175 -4.029 15.549 985 2HD LYS 125 HD1 LYS 125 2.790 -4.021 16.262 986 1HE LYS 125 HE2 LYS 125 1.436 -4.310 18.115 987 2HE LYS 125 HE1 LYS 125 1.693 -2.565 18.105 988 1HZ LYS 125 HZ1 LYS 125 -0.453 -2.166 17.626 989 2HZ LYS 125 HZ2 LYS 125 -0.704 -3.700 18.289 990 3HZ LYS 125 HZ3 LYS 125 -0.610 -3.510 16.611 991 H LEU 126 HN LEU 126 0.566 0.706 13.093 992 HA LEU 126 HA LEU 126 2.505 2.552 14.124 993 1HB LEU 126 HB2 LEU 126 2.363 1.516 11.767 994 2HB LEU 126 HB1 LEU 126 1.188 2.775 11.441 995 HG LEU 126 HG LEU 126 3.095 4.352 12.353 996 1HD1 LEU 126 1HD1 LEU 126 4.411 2.000 12.629 997 2HD1 LEU 126 2HD1 LEU 126 5.195 3.564 12.416 998 3HD1 LEU 126 3HD1 LEU 126 4.951 2.504 11.028 999 1HD2 LEU 126 1HD2 LEU 126 2.064 3.796 9.912 1000 2HD2 LEU 126 2HD2 LEU 126 3.764 3.403 9.656 1001 3HD2 LEU 126 3HD2 LEU 126 3.305 5.011 10.217 1002 H LYS 127 HN LYS 127 -0.882 2.712 13.190 1003 HA LYS 127 HA LYS 127 -1.277 5.447 13.093 1004 1HB LYS 127 HB2 LYS 127 -2.990 3.889 12.482 1005 2HB LYS 127 HB1 LYS 127 -3.111 3.285 14.122 1006 1HG LYS 127 HG2 LYS 127 -3.994 5.397 14.878 1007 2HG LYS 127 HG1 LYS 127 -3.774 6.098 13.273 1008 1HD LYS 127 HD2 LYS 127 -6.045 5.543 13.344 1009 2HD LYS 127 HD1 LYS 127 -5.307 4.211 12.452 1010 1HE LYS 127 HE2 LYS 127 -5.793 2.709 14.053 1011 2HE LYS 127 HE1 LYS 127 -5.397 3.827 15.358 1012 1HZ LYS 127 HZ1 LYS 127 -7.815 4.435 13.875 1013 2HZ LYS 127 HZ2 LYS 127 -7.519 4.504 15.538 1014 3HZ LYS 127 HZ3 LYS 127 -7.871 3.022 14.804 1015 H ARG 128 HN ARG 128 -1.282 3.298 15.900 1016 HA ARG 128 HA ARG 128 -1.972 5.299 17.786 1017 1HB ARG 128 HB2 ARG 128 -1.914 2.651 17.947 1018 2HB ARG 128 HB1 ARG 128 -0.302 2.957 18.574 1019 1HG ARG 128 HG2 ARG 128 -1.073 3.699 20.535 1020 2HG ARG 128 HG1 ARG 128 -2.368 4.631 19.782 1021 1HD ARG 128 HD2 ARG 128 -3.061 1.951 19.394 1022 2HD ARG 128 HD1 ARG 128 -2.462 2.040 21.049 1023 HE ARG 128 HE ARG 128 -4.213 4.173 20.668 1024 1HH1 ARG 128 1HH1 ARG 128 -4.318 0.686 20.748 1025 2HH1 ARG 128 2HH1 ARG 128 -5.955 0.623 21.309 1026 1HH2 ARG 128 1HH2 ARG 128 -6.366 4.093 21.406 1027 2HH2 ARG 128 2HH2 ARG 128 -7.117 2.556 21.683 1028 H LEU 129 HN LEU 129 0.741 4.879 15.904 1029 HA LEU 129 HA LEU 129 2.849 5.740 15.915 1030 1HB LEU 129 HB2 LEU 129 1.203 7.673 17.431 1031 2HB LEU 129 HB1 LEU 129 2.939 7.843 17.609 1032 HG LEU 129 HG LEU 129 3.173 8.073 15.175 1033 1HD1 LEU 129 1HD1 LEU 129 0.786 6.805 14.990 1034 2HD1 LEU 129 2HD1 LEU 129 1.523 7.739 13.691 1035 3HD1 LEU 129 3HD1 LEU 129 0.301 8.478 14.724 1036 1HD2 LEU 129 1HD2 LEU 129 1.610 9.909 16.859 1037 2HD2 LEU 129 2HD2 LEU 129 1.506 10.203 15.122 1038 3HD2 LEU 129 3HD2 LEU 129 3.078 10.193 15.922 1039 1HO1 MO2 130 1HO1 MO2 130 -5.492 -1.637 -10.475 1040 2HO1 MO2 130 2HO1 MO2 130 -3.354 1.079 -10.245 1041 1HO2 MO2 130 1HO2 MO2 130 -5.163 -3.046 -10.038 1042 2HO2 MO2 130 2HO2 MO2 130 -4.327 1.070 -9.089 1043 1H5* 8OG 131 1H5* ODG 131 -7.874 -8.880 -4.477 1044 2H5* 8OG 131 2H5* ODG 131 -9.050 -7.610 -4.613 1045 H4* 8OG 131 1H4* ODG 131 -8.041 -8.936 -2.105 1046 H3* 8OG 131 1H3* ODG 131 -10.225 -9.613 -3.776 1047 1H2* 8OG 131 1H2* ODG 131 -12.004 -8.819 -2.678 1048 2H2* 8OG 131 2H2* ODG 131 -11.456 -9.580 -1.201 1049 H1* 8OG 131 1H1* ODG 131 -10.795 -7.642 -0.367 1050 H1 8OG 131 H1 ODG 131 -14.265 -3.119 1.345 1051 H7 8OG 131 H7 ODG 131 -13.730 -4.703 -3.354 1052 1H2 8OG 131 H21 ODG 131 -12.093 -5.107 3.234 1053 2H2 8OG 131 H22 ODG 131 -13.257 -3.824 3.245 1054 H3T 8OG 131 *HO1 ODG 131 -10.335 -11.412 -2.308 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -12.696 -21.281 -2.492 2 2H MET 1 HT2 MET 1 -12.649 -22.569 -1.359 3 3H MET 1 HT3 MET 1 -11.979 -22.778 -2.925 4 HA MET 1 HA MET 1 -11.002 -21.122 -0.709 5 1HB MET 1 HB2 MET 1 -10.540 -23.700 -1.260 6 2HB MET 1 HB1 MET 1 -9.352 -22.985 -2.342 7 1HG MET 1 HG2 MET 1 -8.611 -21.644 -0.265 8 2HG MET 1 HG1 MET 1 -9.497 -22.871 0.639 9 1HE MET 1 HE1 MET 1 -7.757 -24.996 1.635 10 2HE MET 1 HE2 MET 1 -7.703 -26.060 0.230 11 3HE MET 1 HE3 MET 1 -9.182 -25.178 0.612 12 H LYS 2 HN LYS 2 -11.020 -19.093 -1.662 13 HA LYS 2 HA LYS 2 -9.464 -18.801 -4.144 14 1HB LYS 2 HB2 LYS 2 -11.967 -17.910 -3.712 15 2HB LYS 2 HB1 LYS 2 -11.062 -16.522 -3.126 16 1HG LYS 2 HG2 LYS 2 -10.310 -15.963 -5.188 17 2HG LYS 2 HG1 LYS 2 -10.259 -17.636 -5.745 18 1HD LYS 2 HD2 LYS 2 -12.747 -17.620 -5.822 19 2HD LYS 2 HD1 LYS 2 -12.706 -15.901 -5.423 20 1HE LYS 2 HE2 LYS 2 -11.077 -15.801 -7.486 21 2HE LYS 2 HE1 LYS 2 -11.901 -17.296 -7.931 22 1HZ LYS 2 HZ1 LYS 2 -13.555 -15.012 -7.156 23 2HZ LYS 2 HZ2 LYS 2 -13.850 -16.221 -8.303 24 3HZ LYS 2 HZ3 LYS 2 -12.796 -14.949 -8.668 25 H LYS 3 HN LYS 3 -7.396 -18.487 -3.549 26 HA LYS 3 HA LYS 3 -6.790 -16.706 -1.313 27 1HB LYS 3 HB2 LYS 3 -4.419 -17.479 -1.753 28 2HB LYS 3 HB1 LYS 3 -5.544 -18.724 -1.232 29 1HG LYS 3 HG2 LYS 3 -5.287 -18.371 -4.144 30 2HG LYS 3 HG1 LYS 3 -3.863 -18.995 -3.308 31 1HD LYS 3 HD2 LYS 3 -6.584 -20.162 -2.821 32 2HD LYS 3 HD1 LYS 3 -5.604 -20.676 -4.197 33 1HE LYS 3 HE2 LYS 3 -4.216 -20.607 -1.601 34 2HE LYS 3 HE1 LYS 3 -5.498 -21.808 -1.741 35 1HZ LYS 3 HZ1 LYS 3 -3.057 -21.545 -3.391 36 2HZ LYS 3 HZ2 LYS 3 -4.378 -22.477 -3.889 37 3HZ LYS 3 HZ3 LYS 3 -3.558 -22.869 -2.463 38 H LEU 4 HN LEU 4 -5.959 -14.711 -1.543 39 HA LEU 4 HA LEU 4 -4.836 -13.893 -4.105 40 1HB LEU 4 HB2 LEU 4 -6.260 -11.814 -4.056 41 2HB LEU 4 HB1 LEU 4 -7.085 -13.301 -4.483 42 HG LEU 4 HG LEU 4 -7.644 -13.338 -1.898 43 1HD1 LEU 4 1HD1 LEU 4 -6.780 -10.555 -2.458 44 2HD1 LEU 4 2HD1 LEU 4 -6.651 -11.507 -0.979 45 3HD1 LEU 4 3HD1 LEU 4 -8.198 -10.795 -1.438 46 1HD2 LEU 4 1HD2 LEU 4 -8.953 -12.026 -4.208 47 2HD2 LEU 4 2HD2 LEU 4 -9.625 -11.705 -2.609 48 3HD2 LEU 4 3HD2 LEU 4 -9.504 -13.363 -3.199 49 H GLN 5 HN GLN 5 -3.295 -12.337 -3.941 50 HA GLN 5 HA GLN 5 -2.593 -11.493 -1.228 51 1HB GLN 5 HB2 GLN 5 -0.887 -11.425 -3.714 52 2HB GLN 5 HB1 GLN 5 -0.353 -11.149 -2.061 53 1HG GLN 5 HG2 GLN 5 -1.211 -13.513 -1.600 54 2HG GLN 5 HG1 GLN 5 -1.226 -13.695 -3.347 55 1HE2 GLN 5 1HE2 GLN 5 0.610 -13.965 -0.574 56 2HE2 GLN 5 2HE2 GLN 5 2.170 -14.113 -1.299 57 H ILE 6 HN ILE 6 -1.864 -9.377 -0.823 58 HA ILE 6 HA ILE 6 -2.398 -7.313 -2.800 59 HB ILE 6 HB ILE 6 -3.735 -7.362 -0.088 60 1HG1 ILE 6 2HG1 ILE 6 -4.818 -8.776 -1.815 61 2HG1 ILE 6 1HG1 ILE 6 -5.823 -7.415 -1.327 62 1HG2 ILE 6 1HG2 ILE 6 -3.176 -5.203 -2.000 63 2HG2 ILE 6 2HG2 ILE 6 -3.449 -5.140 -0.260 64 3HG2 ILE 6 3HG2 ILE 6 -4.820 -5.254 -1.365 65 1HD1 ILE 6 1HD1 ILE 6 -4.104 -7.422 -3.792 66 2HD1 ILE 6 2HD1 ILE 6 -5.332 -6.240 -3.337 67 3HD1 ILE 6 3HD1 ILE 6 -5.806 -7.882 -3.770 68 H ALA 7 HN ALA 7 -0.634 -6.031 -2.781 69 HA ALA 7 HA ALA 7 0.687 -5.576 -0.182 70 1HB ALA 7 HB1 ALA 7 1.887 -6.321 -2.803 71 2HB ALA 7 HB2 ALA 7 2.273 -6.900 -1.191 72 3HB ALA 7 HB3 ALA 7 2.797 -5.297 -1.701 73 H VAL 8 HN VAL 8 1.624 -3.512 0.117 74 HA VAL 8 HA VAL 8 1.130 -1.542 -1.962 75 HB VAL 8 HB VAL 8 -0.457 -0.337 -0.972 76 1HG1 VAL 8 1HG1 VAL 8 -2.027 -1.551 0.397 77 2HG1 VAL 8 2HG1 VAL 8 -0.785 -2.720 0.848 78 3HG1 VAL 8 3HG1 VAL 8 -1.354 -2.638 -0.819 79 1HG2 VAL 8 1HG2 VAL 8 0.984 0.563 0.722 80 2HG2 VAL 8 2HG2 VAL 8 0.873 -0.915 1.672 81 3HG2 VAL 8 3HG2 VAL 8 -0.544 0.116 1.483 82 H GLY 9 HN GLY 9 2.065 0.584 -1.448 83 1HA GLY 9 HA2 GLY 9 4.260 0.429 0.502 84 2HA GLY 9 HA1 GLY 9 4.602 0.870 -1.161 85 H ILE 10 HN ILE 10 3.978 2.072 1.861 86 HA ILE 10 HA ILE 10 2.463 4.411 1.192 87 HB ILE 10 HB ILE 10 4.350 4.450 3.509 88 1HG1 ILE 10 2HG1 ILE 10 1.881 2.700 3.372 89 2HG1 ILE 10 1HG1 ILE 10 3.537 2.166 3.631 90 1HG2 ILE 10 1HG2 ILE 10 1.842 5.169 4.365 91 2HG2 ILE 10 2HG2 ILE 10 1.859 5.711 2.688 92 3HG2 ILE 10 3HG2 ILE 10 3.099 6.273 3.808 93 1HD1 ILE 10 1HD1 ILE 10 3.552 3.424 5.765 94 2HD1 ILE 10 2HD1 ILE 10 2.373 2.113 5.712 95 3HD1 ILE 10 3HD1 ILE 10 1.844 3.784 5.513 96 H ILE 11 HN ILE 11 3.370 5.570 -0.479 97 HA ILE 11 HA ILE 11 6.167 5.954 -0.720 98 HB ILE 11 HB ILE 11 4.411 7.884 -2.099 99 1HG1 ILE 11 2HG1 ILE 11 4.319 4.901 -2.531 100 2HG1 ILE 11 1HG1 ILE 11 2.973 6.027 -2.380 101 1HG2 ILE 11 1HG2 ILE 11 6.435 6.123 -3.395 102 2HG2 ILE 11 2HG2 ILE 11 6.994 7.381 -2.294 103 3HG2 ILE 11 3HG2 ILE 11 6.036 7.811 -3.711 104 1HD1 ILE 11 1HD1 ILE 11 3.263 5.234 -4.672 105 2HD1 ILE 11 2HD1 ILE 11 4.894 5.905 -4.690 106 3HD1 ILE 11 3HD1 ILE 11 3.502 6.977 -4.546 107 H ARG 12 HN ARG 12 7.456 7.272 0.243 108 HA ARG 12 HA ARG 12 6.404 9.396 1.909 109 1HB ARG 12 HB2 ARG 12 8.856 7.830 1.791 110 2HB ARG 12 HB1 ARG 12 9.168 9.543 2.040 111 1HG ARG 12 HG2 ARG 12 7.023 8.716 3.736 112 2HG ARG 12 HG1 ARG 12 8.394 7.628 3.940 113 1HD ARG 12 HD2 ARG 12 9.600 10.086 3.889 114 2HD ARG 12 HD1 ARG 12 8.082 10.429 4.718 115 HE ARG 12 HE ARG 12 8.826 9.219 6.519 116 1HH1 ARG 12 1HH1 ARG 12 10.882 8.563 3.776 117 2HH1 ARG 12 2HH1 ARG 12 12.053 7.688 4.705 118 1HH2 ARG 12 1HH2 ARG 12 10.363 8.070 7.742 119 2HH2 ARG 12 2HH2 ARG 12 11.759 7.407 6.957 120 H ASN 13 HN ASN 13 6.326 11.436 1.404 121 HA ASN 13 HA ASN 13 7.074 12.364 -1.178 122 1HB ASN 13 HB2 ASN 13 5.186 13.157 0.522 123 2HB ASN 13 HB1 ASN 13 6.415 14.342 0.886 124 1HD2 ASN 13 1HD2 ASN 13 3.726 14.222 -0.630 125 2HD2 ASN 13 2HD2 ASN 13 4.058 15.123 -2.067 126 H GLU 14 HN GLU 14 7.870 14.815 -0.969 127 HA GLU 14 HA GLU 14 10.641 14.675 -0.830 128 1HB GLU 14 HB2 GLU 14 9.651 16.254 -2.277 129 2HB GLU 14 HB1 GLU 14 8.696 16.960 -0.977 130 1HG GLU 14 HG2 GLU 14 11.648 17.089 -0.725 131 2HG GLU 14 HG1 GLU 14 10.891 18.105 -1.950 132 H ASN 15 HN ASN 15 8.467 15.088 1.754 133 HA ASN 15 HA ASN 15 10.713 15.946 3.441 134 1HB ASN 15 HB2 ASN 15 9.287 17.889 3.096 135 2HB ASN 15 HB1 ASN 15 7.877 16.980 3.624 136 1HD2 ASN 15 1HD2 ASN 15 11.134 17.040 4.990 137 2HD2 ASN 15 2HD2 ASN 15 10.666 17.655 6.534 138 H ASN 16 HN ASN 16 7.359 15.303 4.363 139 HA ASN 16 HA ASN 16 8.094 12.723 5.484 140 1HB ASN 16 HB2 ASN 16 7.434 13.267 7.751 141 2HB ASN 16 HB1 ASN 16 8.712 14.364 7.238 142 1HD2 ASN 16 1HD2 ASN 16 5.215 14.074 7.588 143 2HD2 ASN 16 2HD2 ASN 16 4.926 15.752 7.881 144 H GLU 17 HN GLU 17 6.076 14.179 3.604 145 HA GLU 17 HA GLU 17 3.615 13.088 4.769 146 1HB GLU 17 HB2 GLU 17 2.719 14.264 2.530 147 2HB GLU 17 HB1 GLU 17 2.911 15.131 4.044 148 1HG GLU 17 HG2 GLU 17 5.148 15.874 3.273 149 2HG GLU 17 HG1 GLU 17 4.821 15.106 1.721 150 H ILE 18 HN ILE 18 2.202 11.821 3.280 151 HA ILE 18 HA ILE 18 3.751 10.447 1.199 152 HB ILE 18 HB ILE 18 2.312 9.172 3.502 153 1HG1 ILE 18 2HG1 ILE 18 4.909 8.166 2.550 154 2HG1 ILE 18 1HG1 ILE 18 4.931 9.816 3.165 155 1HG2 ILE 18 1HG2 ILE 18 3.238 7.089 1.940 156 2HG2 ILE 18 2HG2 ILE 18 2.494 8.183 0.780 157 3HG2 ILE 18 3HG2 ILE 18 1.556 7.574 2.142 158 1HD1 ILE 18 1HD1 ILE 18 5.208 7.579 4.672 159 2HD1 ILE 18 2HD1 ILE 18 3.489 7.925 4.859 160 3HD1 ILE 18 3HD1 ILE 18 4.685 9.150 5.279 161 H PHE 19 HN PHE 19 2.666 9.842 -0.573 162 HA PHE 19 HA PHE 19 0.037 10.915 -0.990 163 1HB PHE 19 HB2 PHE 19 1.573 11.055 -2.821 164 2HB PHE 19 HB1 PHE 19 1.935 9.335 -2.732 165 HD1 PHE 19 HD1 PHE 19 0.427 7.697 -3.664 166 HD2 PHE 19 HD2 PHE 19 -0.462 11.854 -3.858 167 HE1 PHE 19 HE1 PHE 19 -1.303 7.243 -5.353 168 HE2 PHE 19 HE2 PHE 19 -2.194 11.407 -5.549 169 HZ PHE 19 HZ PHE 19 -2.617 9.100 -6.297 170 H ILE 20 HN ILE 20 -1.401 9.804 0.285 171 HA ILE 20 HA ILE 20 -1.662 6.914 -0.227 172 HB ILE 20 HB ILE 20 -3.281 7.690 1.996 173 1HG1 ILE 20 2HG1 ILE 20 -0.373 8.460 2.335 174 2HG1 ILE 20 1HG1 ILE 20 -1.693 9.613 2.185 175 1HG2 ILE 20 1HG2 ILE 20 -2.567 5.720 2.723 176 2HG2 ILE 20 2HG2 ILE 20 -0.879 6.226 2.669 177 3HG2 ILE 20 3HG2 ILE 20 -1.656 5.593 1.219 178 1HD1 ILE 20 1HD1 ILE 20 -0.991 9.261 4.507 179 2HD1 ILE 20 2HD1 ILE 20 -1.433 7.560 4.368 180 3HD1 ILE 20 3HD1 ILE 20 -2.674 8.808 4.236 181 H THR 21 HN THR 21 -3.595 6.104 -0.927 182 HA THR 21 HA THR 21 -5.394 7.908 -2.195 183 HB THR 21 HB THR 21 -6.490 6.011 -3.040 184 HG1 THR 21 HG1 THR 21 -7.043 4.636 -1.551 185 1HG2 THR 21 1HG2 THR 21 -3.830 4.757 -2.533 186 2HG2 THR 21 2HG2 THR 21 -3.984 6.161 -3.588 187 3HG2 THR 21 3HG2 THR 21 -4.852 4.674 -3.967 188 H ARG 22 HN ARG 22 -7.099 8.910 -1.364 189 HA ARG 22 HA ARG 22 -8.378 7.765 1.029 190 1HB ARG 22 HB2 ARG 22 -6.893 9.938 1.246 191 2HB ARG 22 HB1 ARG 22 -8.332 10.723 0.609 192 1HG ARG 22 HG2 ARG 22 -9.184 8.996 2.669 193 2HG ARG 22 HG1 ARG 22 -7.777 9.872 3.272 194 1HD ARG 22 HD2 ARG 22 -9.537 11.643 1.837 195 2HD ARG 22 HD1 ARG 22 -10.417 10.788 3.101 196 HE ARG 22 HE ARG 22 -9.241 11.966 4.678 197 1HH1 ARG 22 1HH1 ARG 22 -7.690 12.352 1.575 198 2HH1 ARG 22 2HH1 ARG 22 -6.606 13.581 2.131 199 1HH2 ARG 22 1HH2 ARG 22 -7.815 13.583 5.410 200 2HH2 ARG 22 2HH2 ARG 22 -6.675 14.280 4.308 201 H ARG 23 HN ARG 23 -10.541 7.609 0.981 202 HA ARG 23 HA ARG 23 -12.563 7.360 -0.064 203 1HB ARG 23 HB2 ARG 23 -13.512 9.734 -0.655 204 2HB ARG 23 HB1 ARG 23 -13.222 9.269 1.012 205 1HG ARG 23 HG2 ARG 23 -11.210 10.531 1.104 206 2HG ARG 23 HG1 ARG 23 -11.240 10.817 -0.637 207 1HD ARG 23 HD2 ARG 23 -13.654 11.806 0.078 208 2HD ARG 23 HD1 ARG 23 -12.720 12.153 1.531 209 HE ARG 23 HE ARG 23 -12.367 13.322 -1.102 210 1HH1 ARG 23 1HH1 ARG 23 -11.063 12.884 2.109 211 2HH1 ARG 23 2HH1 ARG 23 -10.013 14.256 2.002 212 1HH2 ARG 23 1HH2 ARG 23 -10.985 15.124 -1.240 213 2HH2 ARG 23 2HH2 ARG 23 -9.968 15.526 0.102 214 H ALA 24 HN ALA 24 -12.322 10.096 -2.091 215 HA ALA 24 HA ALA 24 -11.098 9.273 -4.374 216 1HB ALA 24 HB1 ALA 24 -13.680 7.874 -3.996 217 2HB ALA 24 HB2 ALA 24 -12.223 7.359 -4.844 218 3HB ALA 24 HB3 ALA 24 -13.335 8.494 -5.610 219 H ALA 25 HN ALA 25 -13.787 10.884 -2.896 220 HA ALA 25 HA ALA 25 -14.562 13.017 -3.210 221 1HB ALA 25 HB1 ALA 25 -13.279 13.500 -5.815 222 2HB ALA 25 HB2 ALA 25 -12.178 13.205 -4.469 223 3HB ALA 25 HB3 ALA 25 -13.352 14.517 -4.375 224 H ASP 26 HN ASP 26 -15.814 10.630 -4.133 225 HA ASP 26 HA ASP 26 -17.928 11.704 -5.626 226 1HB ASP 26 HB2 ASP 26 -17.619 10.338 -7.724 227 2HB ASP 26 HB1 ASP 26 -16.505 11.690 -7.549 228 H ALA 27 HN ALA 27 -17.537 10.133 -3.298 229 HA ALA 27 HA ALA 27 -19.487 8.102 -3.753 230 1HB ALA 27 HB1 ALA 27 -18.235 6.148 -3.324 231 2HB ALA 27 HB2 ALA 27 -16.806 7.073 -2.863 232 3HB ALA 27 HB3 ALA 27 -17.328 7.038 -4.547 233 H HIS 28 HN HIS 28 -19.117 6.517 -1.538 234 HA HIS 28 HA HIS 28 -19.313 8.478 0.650 235 1HB HIS 28 HB2 HIS 28 -20.982 6.218 -0.146 236 2HB HIS 28 HB1 HIS 28 -20.539 6.166 1.557 237 HD1 HIS 28 HD1 HIS 28 -21.092 9.437 -0.185 238 HD2 HIS 28 HD2 HIS 28 -23.095 6.882 2.408 239 HE1 HIS 28 HE1 HIS 28 -23.078 10.739 0.641 240 HE2 HIS 28 HE2 HIS 28 -24.227 9.204 2.275 241 H MET 29 HN MET 29 -17.645 5.698 -0.490 242 HA MET 29 HA MET 29 -16.770 4.608 1.955 243 1HB MET 29 HB2 MET 29 -15.700 4.517 -0.852 244 2HB MET 29 HB1 MET 29 -14.829 3.760 0.474 245 1HG MET 29 HG2 MET 29 -17.296 2.749 0.871 246 2HG MET 29 HG1 MET 29 -17.303 2.943 -0.881 247 1HE MET 29 HE1 MET 29 -17.400 0.756 -1.760 248 2HE MET 29 HE2 MET 29 -16.010 -0.325 -1.875 249 3HE MET 29 HE3 MET 29 -15.921 1.303 -2.548 250 H ALA 30 HN ALA 30 -16.304 6.558 3.170 251 HA ALA 30 HA ALA 30 -13.957 8.087 2.408 252 1HB ALA 30 HB1 ALA 30 -14.474 9.533 4.205 253 2HB ALA 30 HB2 ALA 30 -15.508 8.328 4.973 254 3HB ALA 30 HB3 ALA 30 -16.015 9.095 3.467 255 H ASN 31 HN ASN 31 -14.528 5.212 4.039 256 HA ASN 31 HA ASN 31 -12.254 5.499 5.833 257 1HB ASN 31 HB2 ASN 31 -13.182 2.929 6.149 258 2HB ASN 31 HB1 ASN 31 -13.639 4.306 7.137 259 1HD2 ASN 31 1HD2 ASN 31 -15.717 4.749 7.285 260 2HD2 ASN 31 2HD2 ASN 31 -16.953 4.174 6.224 261 H LYS 32 HN LYS 32 -11.863 5.412 2.943 262 HA LYS 32 HA LYS 32 -10.469 2.842 2.677 263 1HB LYS 32 HB2 LYS 32 -12.228 4.150 0.927 264 2HB LYS 32 HB1 LYS 32 -10.634 4.298 0.203 265 1HG LYS 32 HG2 LYS 32 -10.487 1.742 0.743 266 2HG LYS 32 HG1 LYS 32 -12.249 1.862 0.753 267 1HD LYS 32 HD2 LYS 32 -11.570 1.253 -1.457 268 2HD LYS 32 HD1 LYS 32 -12.107 2.933 -1.503 269 1HE LYS 32 HE2 LYS 32 -9.971 2.392 -2.758 270 2HE LYS 32 HE1 LYS 32 -9.899 3.743 -1.629 271 1HZ LYS 32 HZ1 LYS 32 -9.033 0.992 -0.938 272 2HZ LYS 32 HZ2 LYS 32 -8.774 2.406 -0.047 273 3HZ LYS 32 HZ3 LYS 32 -7.980 2.180 -1.523 274 H LEU 33 HN LEU 33 -9.493 5.256 4.011 275 HA LEU 33 HA LEU 33 -7.519 6.513 2.417 276 1HB LEU 33 HB2 LEU 33 -8.351 7.508 4.483 277 2HB LEU 33 HB1 LEU 33 -7.686 6.178 5.411 278 HG LEU 33 HG LEU 33 -5.449 6.878 4.982 279 1HD1 LEU 33 1HD1 LEU 33 -6.678 8.288 2.750 280 2HD1 LEU 33 2HD1 LEU 33 -5.025 7.709 2.955 281 3HD1 LEU 33 3HD1 LEU 33 -5.504 9.266 3.630 282 1HD2 LEU 33 1HD2 LEU 33 -7.172 9.269 5.617 283 2HD2 LEU 33 2HD2 LEU 33 -5.444 9.137 5.942 284 3HD2 LEU 33 3HD2 LEU 33 -6.580 8.071 6.768 285 H GLU 34 HN GLU 34 -6.830 4.373 1.419 286 HA GLU 34 HA GLU 34 -4.815 3.027 3.081 287 1HB GLU 34 HB2 GLU 34 -6.814 1.889 1.661 288 2HB GLU 34 HB1 GLU 34 -5.530 1.861 0.461 289 1HG GLU 34 HG2 GLU 34 -4.231 0.925 2.652 290 2HG GLU 34 HG1 GLU 34 -5.858 0.300 2.914 291 H PHE 35 HN PHE 35 -3.244 1.869 1.172 292 HA PHE 35 HA PHE 35 -2.012 4.191 -0.149 293 1HB PHE 35 HB2 PHE 35 -0.262 1.928 0.566 294 2HB PHE 35 HB1 PHE 35 0.048 3.652 0.627 295 HD1 PHE 35 HD1 PHE 35 -1.993 1.061 2.385 296 HD2 PHE 35 HD2 PHE 35 0.268 4.651 2.664 297 HE1 PHE 35 HE1 PHE 35 -2.276 1.046 4.829 298 HE2 PHE 35 HE2 PHE 35 -0.009 4.643 5.107 299 HZ PHE 35 HZ PHE 35 -1.282 2.838 6.191 300 HA PRO 36 HA PRO 36 -1.750 2.001 -3.976 301 1HB PRO 36 HB2 PRO 36 0.585 2.828 -4.998 302 2HB PRO 36 HB1 PRO 36 -0.767 3.933 -4.748 303 1HG PRO 36 HG2 PRO 36 1.687 3.538 -3.100 304 2HG PRO 36 HG1 PRO 36 0.847 5.041 -3.518 305 1HD PRO 36 HD2 PRO 36 0.593 3.720 -1.115 306 2HD PRO 36 HD1 PRO 36 -0.611 4.840 -1.776 307 H GLY 37 HN GLY 37 -0.479 0.575 -5.389 308 1HA GLY 37 HA2 GLY 37 1.320 -0.955 -5.717 309 2HA GLY 37 HA1 GLY 37 1.526 -1.049 -3.992 310 H GLY 38 HN GLY 38 -1.713 -1.300 -4.446 311 1HA GLY 38 HA2 GLY 38 -1.857 -4.021 -3.786 312 2HA GLY 38 HA1 GLY 38 -3.196 -3.026 -4.349 313 H LYS 39 HN LYS 39 -2.918 -5.738 -5.029 314 HA LYS 39 HA LYS 39 -3.439 -6.940 -6.900 315 1HB LYS 39 HB2 LYS 39 -3.996 -4.837 -8.097 316 2HB LYS 39 HB1 LYS 39 -2.305 -4.685 -8.555 317 1HG LYS 39 HG2 LYS 39 -2.562 -6.062 -10.260 318 2HG LYS 39 HG1 LYS 39 -3.296 -7.293 -9.236 319 1HD LYS 39 HD2 LYS 39 -5.152 -5.142 -9.665 320 2HD LYS 39 HD1 LYS 39 -4.546 -5.733 -11.212 321 1HE LYS 39 HE2 LYS 39 -6.575 -6.918 -10.483 322 2HE LYS 39 HE1 LYS 39 -5.188 -7.994 -10.641 323 1HZ LYS 39 HZ1 LYS 39 -6.086 -6.820 -8.067 324 2HZ LYS 39 HZ2 LYS 39 -4.907 -8.013 -8.289 325 3HZ LYS 39 HZ3 LYS 39 -6.530 -8.361 -8.609 326 H ILE 40 HN ILE 40 -0.588 -6.225 -5.623 327 HA ILE 40 HA ILE 40 1.360 -7.021 -7.428 328 HB ILE 40 HB ILE 40 2.818 -7.356 -5.665 329 1HG1 ILE 40 2HG1 ILE 40 0.764 -7.633 -3.524 330 2HG1 ILE 40 1HG1 ILE 40 1.000 -9.018 -4.579 331 1HG2 ILE 40 1HG2 ILE 40 1.586 -5.098 -5.814 332 2HG2 ILE 40 2HG2 ILE 40 2.588 -5.425 -4.403 333 3HG2 ILE 40 3HG2 ILE 40 0.831 -5.582 -4.298 334 1HD1 ILE 40 1HD1 ILE 40 3.481 -7.863 -3.561 335 2HD1 ILE 40 2HD1 ILE 40 2.958 -9.545 -3.664 336 3HD1 ILE 40 3HD1 ILE 40 2.415 -8.533 -2.327 337 H GLU 41 HN GLU 41 -1.036 -8.792 -5.793 338 HA GLU 41 HA GLU 41 -0.227 -11.343 -5.584 339 1HB GLU 41 HB2 GLU 41 -2.632 -11.901 -6.487 340 2HB GLU 41 HB1 GLU 41 -2.414 -11.058 -4.965 341 1HG GLU 41 HG2 GLU 41 -3.680 -9.411 -5.696 342 2HG GLU 41 HG1 GLU 41 -2.547 -9.083 -6.993 343 H MET 42 HN MET 42 -2.113 -10.601 -8.480 344 HA MET 42 HA MET 42 -2.107 -11.756 -10.494 345 1HB MET 42 HB2 MET 42 0.551 -10.337 -10.351 346 2HB MET 42 HB1 MET 42 -0.093 -11.035 -11.830 347 1HG MET 42 HG2 MET 42 -2.081 -9.579 -11.580 348 2HG MET 42 HG1 MET 42 -1.298 -8.823 -10.196 349 1HE MET 42 HE1 MET 42 0.574 -8.722 -14.409 350 2HE MET 42 HE2 MET 42 -0.736 -9.803 -13.933 351 3HE MET 42 HE3 MET 42 0.877 -10.019 -13.253 352 H GLY 43 HN GLY 43 1.374 -12.058 -10.119 353 1HA GLY 43 HA2 GLY 43 1.421 -14.777 -9.322 354 2HA GLY 43 HA1 GLY 43 1.514 -14.658 -11.065 355 H GLU 44 HN GLU 44 2.851 -12.291 -8.920 356 HA GLU 44 HA GLU 44 5.485 -12.765 -10.062 357 1HB GLU 44 HB2 GLU 44 4.109 -10.521 -8.777 358 2HB GLU 44 HB1 GLU 44 5.784 -10.696 -8.272 359 1HG GLU 44 HG2 GLU 44 6.096 -9.362 -10.069 360 2HG GLU 44 HG1 GLU 44 6.159 -10.926 -10.881 361 H THR 45 HN THR 45 7.231 -12.027 -8.146 362 HA THR 45 HA THR 45 7.027 -14.241 -6.235 363 HB THR 45 HB THR 45 9.574 -12.865 -6.222 364 HG1 THR 45 HG1 THR 45 8.776 -13.904 -8.734 365 1HG2 THR 45 1HG2 THR 45 8.573 -15.604 -6.529 366 2HG2 THR 45 2HG2 THR 45 9.939 -14.982 -5.603 367 3HG2 THR 45 3HG2 THR 45 10.100 -15.257 -7.339 368 HA PRO 46 HA PRO 46 6.384 -11.903 -2.561 369 1HB PRO 46 HB2 PRO 46 8.815 -12.543 -1.231 370 2HB PRO 46 HB1 PRO 46 7.247 -13.325 -1.036 371 1HG PRO 46 HG2 PRO 46 9.568 -14.138 -2.696 372 2HG PRO 46 HG1 PRO 46 8.354 -15.143 -1.884 373 1HD PRO 46 HD2 PRO 46 8.300 -14.802 -4.526 374 2HD PRO 46 HD1 PRO 46 6.794 -14.847 -3.590 375 H GLU 47 HN GLU 47 9.411 -11.590 -4.294 376 HA GLU 47 HA GLU 47 9.887 -8.972 -3.068 377 1HB GLU 47 HB2 GLU 47 11.612 -10.918 -4.547 378 2HB GLU 47 HB1 GLU 47 12.062 -9.220 -4.511 379 1HG GLU 47 HG2 GLU 47 12.739 -9.316 -2.386 380 2HG GLU 47 HG1 GLU 47 11.375 -10.318 -1.894 381 H GLN 48 HN GLN 48 9.540 -10.513 -6.260 382 HA GLN 48 HA GLN 48 9.660 -7.982 -7.633 383 1HB GLN 48 HB2 GLN 48 9.114 -10.809 -8.510 384 2HB GLN 48 HB1 GLN 48 8.942 -9.450 -9.614 385 1HG GLN 48 HG2 GLN 48 11.084 -9.847 -10.093 386 2HG GLN 48 HG1 GLN 48 11.409 -8.984 -8.590 387 1HE2 GLN 48 1HE2 GLN 48 12.610 -11.362 -10.151 388 2HE2 GLN 48 2HE2 GLN 48 12.903 -12.530 -8.912 389 H ALA 49 HN ALA 49 7.258 -9.475 -5.869 390 HA ALA 49 HA ALA 49 4.973 -9.076 -7.453 391 1HB ALA 49 HB1 ALA 49 5.057 -8.870 -4.452 392 2HB ALA 49 HB2 ALA 49 5.118 -10.405 -5.319 393 3HB ALA 49 HB3 ALA 49 3.705 -9.363 -5.472 394 H VAL 50 HN VAL 50 6.299 -7.034 -4.853 395 HA VAL 50 HA VAL 50 4.551 -4.855 -5.525 396 HB VAL 50 HB VAL 50 5.514 -3.661 -3.733 397 1HG1 VAL 50 1HG1 VAL 50 5.999 -6.147 -2.347 398 2HG1 VAL 50 2HG1 VAL 50 4.577 -6.255 -3.383 399 3HG1 VAL 50 3HG1 VAL 50 4.683 -4.990 -2.160 400 1HG2 VAL 50 1HG2 VAL 50 7.621 -4.383 -2.621 401 2HG2 VAL 50 2HG2 VAL 50 7.843 -3.835 -4.285 402 3HG2 VAL 50 3HG2 VAL 50 7.849 -5.558 -3.918 403 H VAL 51 HN VAL 51 8.019 -5.517 -5.863 404 HA VAL 51 HA VAL 51 8.830 -3.079 -6.897 405 HB VAL 51 HB VAL 51 9.939 -5.781 -7.662 406 1HG1 VAL 51 1HG1 VAL 51 10.805 -2.995 -8.111 407 2HG1 VAL 51 2HG1 VAL 51 11.108 -4.447 -9.064 408 3HG1 VAL 51 3HG1 VAL 51 12.057 -4.132 -7.612 409 1HG2 VAL 51 1HG2 VAL 51 10.981 -5.940 -5.676 410 2HG2 VAL 51 2HG2 VAL 51 9.716 -4.846 -5.120 411 3HG2 VAL 51 3HG2 VAL 51 11.292 -4.207 -5.586 412 H ARG 52 HN ARG 52 7.434 -5.861 -8.557 413 HA ARG 52 HA ARG 52 7.799 -4.687 -11.137 414 1HB ARG 52 HB2 ARG 52 7.688 -7.181 -10.605 415 2HB ARG 52 HB1 ARG 52 5.946 -6.970 -10.496 416 1HG ARG 52 HG2 ARG 52 5.797 -6.343 -12.785 417 2HG ARG 52 HG1 ARG 52 7.553 -6.237 -12.929 418 1HD ARG 52 HD2 ARG 52 7.244 -8.790 -12.055 419 2HD ARG 52 HD1 ARG 52 5.782 -8.580 -13.019 420 HE ARG 52 HE ARG 52 7.725 -7.651 -14.649 421 1HH1 ARG 52 1HH1 ARG 52 7.346 -10.619 -12.854 422 2HH1 ARG 52 2HH1 ARG 52 8.245 -11.567 -13.990 423 1HH2 ARG 52 1HH2 ARG 52 8.908 -8.897 -16.144 424 2HH2 ARG 52 2HH2 ARG 52 9.132 -10.591 -15.858 425 H GLU 53 HN GLU 53 4.943 -5.330 -9.115 426 HA GLU 53 HA GLU 53 3.152 -4.014 -10.868 427 1HB GLU 53 HB2 GLU 53 3.016 -5.269 -8.217 428 2HB GLU 53 HB1 GLU 53 1.887 -3.945 -8.442 429 1HG GLU 53 HG2 GLU 53 2.141 -6.298 -10.301 430 2HG GLU 53 HG1 GLU 53 0.962 -6.176 -8.999 431 H LEU 54 HN LEU 54 5.319 -2.890 -8.414 432 HA LEU 54 HA LEU 54 4.133 -0.543 -7.556 433 1HB LEU 54 HB2 LEU 54 6.799 -1.614 -7.653 434 2HB LEU 54 HB1 LEU 54 6.839 0.085 -8.066 435 HG LEU 54 HG LEU 54 6.098 0.760 -5.980 436 1HD1 LEU 54 1HD1 LEU 54 4.208 -0.257 -5.314 437 2HD1 LEU 54 2HD1 LEU 54 5.310 -1.275 -4.383 438 3HD1 LEU 54 3HD1 LEU 54 4.709 -1.828 -5.946 439 1HD2 LEU 54 1HD2 LEU 54 8.215 0.119 -5.447 440 2HD2 LEU 54 2HD2 LEU 54 7.930 -1.569 -5.873 441 3HD2 LEU 54 3HD2 LEU 54 7.320 -0.930 -4.347 442 H GLN 55 HN GLN 55 5.956 -1.157 -10.520 443 HA GLN 55 HA GLN 55 5.945 1.429 -11.567 444 1HB GLN 55 HB2 GLN 55 6.624 -1.180 -12.464 445 2HB GLN 55 HB1 GLN 55 5.541 -0.492 -13.669 446 1HG GLN 55 HG2 GLN 55 7.599 1.370 -12.790 447 2HG GLN 55 HG1 GLN 55 8.249 -0.098 -13.517 448 1HE2 GLN 55 1HE2 GLN 55 6.602 -0.728 -15.475 449 2HE2 GLN 55 2HE2 GLN 55 6.472 0.540 -16.641 450 H GLU 56 HN GLU 56 3.520 -1.073 -11.448 451 HA GLU 56 HA GLU 56 1.655 0.242 -13.192 452 1HB GLU 56 HB2 GLU 56 1.889 -2.292 -12.517 453 2HB GLU 56 HB1 GLU 56 0.821 -1.825 -11.208 454 1HG GLU 56 HG2 GLU 56 -0.273 -0.760 -13.575 455 2HG GLU 56 HG1 GLU 56 0.187 -2.426 -13.920 456 H GLU 57 HN GLU 57 2.382 0.328 -9.786 457 HA GLU 57 HA GLU 57 -0.106 1.808 -9.304 458 1HB GLU 57 HB2 GLU 57 1.755 0.454 -7.356 459 2HB GLU 57 HB1 GLU 57 0.328 1.375 -6.901 460 1HG GLU 57 HG2 GLU 57 -0.653 -0.639 -6.916 461 2HG GLU 57 HG1 GLU 57 -0.764 -0.346 -8.651 462 H VAL 58 HN VAL 58 2.909 2.576 -10.144 463 HA VAL 58 HA VAL 58 2.841 5.070 -8.596 464 HB VAL 58 HB VAL 58 5.441 3.671 -9.214 465 1HG1 VAL 58 1HG1 VAL 58 4.697 6.237 -8.148 466 2HG1 VAL 58 2HG1 VAL 58 6.290 5.629 -8.595 467 3HG1 VAL 58 3HG1 VAL 58 5.658 5.336 -6.976 468 1HG2 VAL 58 1HG2 VAL 58 3.523 3.078 -7.113 469 2HG2 VAL 58 2HG2 VAL 58 5.102 3.529 -6.474 470 3HG2 VAL 58 3HG2 VAL 58 4.962 2.191 -7.612 471 H GLY 59 HN GLY 59 4.171 3.311 -11.346 472 1HA GLY 59 HA2 GLY 59 4.610 3.934 -13.493 473 2HA GLY 59 HA1 GLY 59 3.444 5.210 -13.236 474 H ILE 60 HN ILE 60 5.842 5.673 -10.968 475 HA ILE 60 HA ILE 60 7.340 7.406 -12.796 476 HB ILE 60 HB ILE 60 7.775 8.477 -10.309 477 1HG1 ILE 60 2HG1 ILE 60 4.843 8.532 -10.312 478 2HG1 ILE 60 1HG1 ILE 60 5.548 6.997 -9.832 479 1HG2 ILE 60 1HG2 ILE 60 6.160 9.218 -12.669 480 2HG2 ILE 60 2HG2 ILE 60 7.563 10.017 -11.958 481 3HG2 ILE 60 3HG2 ILE 60 5.974 10.193 -11.212 482 1HD1 ILE 60 1HD1 ILE 60 5.386 8.069 -7.819 483 2HD1 ILE 60 2HD1 ILE 60 5.740 9.651 -8.513 484 3HD1 ILE 60 3HD1 ILE 60 7.034 8.475 -8.293 485 H THR 61 HN THR 61 9.417 8.147 -11.251 486 HA THR 61 HA THR 61 10.743 5.611 -10.645 487 HB THR 61 HB THR 61 12.775 7.053 -11.150 488 HG1 THR 61 HG1 THR 61 10.890 8.705 -12.425 489 1HG2 THR 61 1HG2 THR 61 12.004 5.427 -12.781 490 2HG2 THR 61 2HG2 THR 61 12.536 6.905 -13.583 491 3HG2 THR 61 3HG2 THR 61 10.811 6.586 -13.374 492 HA PRO 62 HA PRO 62 11.078 7.879 -6.689 493 1HB PRO 62 HB2 PRO 62 9.357 6.538 -5.249 494 2HB PRO 62 HB1 PRO 62 8.749 7.454 -6.633 495 1HG PRO 62 HG2 PRO 62 9.140 4.517 -6.342 496 2HG PRO 62 HG1 PRO 62 7.914 5.400 -7.267 497 1HD PRO 62 HD2 PRO 62 10.442 4.358 -8.199 498 2HD PRO 62 HD1 PRO 62 9.195 5.215 -9.119 499 H GLN 63 HN GLN 63 12.435 7.454 -4.955 500 HA GLN 63 HA GLN 63 13.780 4.892 -4.866 501 1HB GLN 63 HB2 GLN 63 14.676 5.927 -2.636 502 2HB GLN 63 HB1 GLN 63 15.243 6.576 -4.167 503 1HG GLN 63 HG2 GLN 63 13.618 8.392 -3.979 504 2HG GLN 63 HG1 GLN 63 13.089 7.746 -2.429 505 1HE2 GLN 63 1HE2 GLN 63 15.579 9.440 -4.133 506 2HE2 GLN 63 2HE2 GLN 63 16.481 9.938 -2.747 507 H HIS 64 HN HIS 64 11.879 3.700 -4.668 508 HA HIS 64 HA HIS 64 10.614 3.762 -2.018 509 1HB HIS 64 HB2 HIS 64 8.984 4.440 -3.555 510 2HB HIS 64 HB1 HIS 64 9.601 3.391 -4.786 511 HD1 HIS 64 HD1 HIS 64 8.859 1.844 -1.491 512 HD2 HIS 64 HD2 HIS 64 6.994 2.368 -5.163 513 HE1 HIS 64 HE1 HIS 64 6.904 0.266 -1.482 514 HE2 HIS 64 HE2 HIS 64 5.718 0.698 -3.659 515 H PHE 65 HN PHE 65 10.704 1.986 -0.817 516 HA PHE 65 HA PHE 65 10.637 -0.657 -1.768 517 1HB PHE 65 HB2 PHE 65 13.027 0.390 -2.337 518 2HB PHE 65 HB1 PHE 65 13.340 -0.072 -0.674 519 HD1 PHE 65 HD1 PHE 65 11.190 -2.496 -1.249 520 HD2 PHE 65 HD2 PHE 65 14.916 -1.191 -2.841 521 HE1 PHE 65 HE1 PHE 65 11.670 -4.789 -2.000 522 HE2 PHE 65 HE2 PHE 65 15.401 -3.483 -3.593 523 HZ PHE 65 HZ PHE 65 13.777 -5.285 -3.173 524 H SER 66 HN SER 66 12.597 -1.456 0.427 525 HA SER 66 HA SER 66 12.543 -2.094 2.587 526 1HB SER 66 HB2 SER 66 11.081 0.320 3.473 527 2HB SER 66 HB1 SER 66 12.586 -0.374 4.072 528 HG SER 66 HG SER 66 12.976 1.592 3.016 529 H LEU 67 HN LEU 67 11.249 -2.896 4.288 530 HA LEU 67 HA LEU 67 8.395 -3.111 3.600 531 1HB LEU 67 HB2 LEU 67 9.438 -5.238 3.250 532 2HB LEU 67 HB1 LEU 67 10.259 -5.155 4.796 533 HG LEU 67 HG LEU 67 7.336 -5.022 5.006 534 1HD1 LEU 67 1HD1 LEU 67 6.740 -7.060 4.200 535 2HD1 LEU 67 2HD1 LEU 67 8.353 -7.742 4.410 536 3HD1 LEU 67 3HD1 LEU 67 8.019 -6.673 3.048 537 1HD2 LEU 67 1HD2 LEU 67 9.382 -5.488 6.700 538 2HD2 LEU 67 2HD2 LEU 67 8.903 -7.141 6.316 539 3HD2 LEU 67 3HD2 LEU 67 7.724 -6.016 6.989 540 H PHE 68 HN PHE 68 7.225 -1.955 4.976 541 HA PHE 68 HA PHE 68 8.182 -1.264 7.590 542 1HB PHE 68 HB2 PHE 68 6.890 0.480 6.954 543 2HB PHE 68 HB1 PHE 68 5.959 -0.499 5.830 544 HD1 PHE 68 HD1 PHE 68 6.096 0.954 9.146 545 HD2 PHE 68 HD2 PHE 68 3.981 -1.735 6.619 546 HE1 PHE 68 HE1 PHE 68 4.167 1.045 10.671 547 HE2 PHE 68 HE2 PHE 68 2.048 -1.653 8.137 548 HZ PHE 68 HZ PHE 68 2.137 -0.257 10.166 549 H GLU 69 HN GLU 69 5.410 -3.131 6.378 550 HA GLU 69 HA GLU 69 5.693 -5.186 8.288 551 1HB GLU 69 HB2 GLU 69 4.342 -2.889 9.241 552 2HB GLU 69 HB1 GLU 69 3.118 -4.122 8.980 553 1HG GLU 69 HG2 GLU 69 4.022 -5.543 10.550 554 2HG GLU 69 HG1 GLU 69 5.621 -4.809 10.448 555 H LYS 70 HN LYS 70 4.335 -6.936 7.827 556 HA LYS 70 HA LYS 70 2.341 -6.522 5.710 557 1HB LYS 70 HB2 LYS 70 3.172 -8.633 4.611 558 2HB LYS 70 HB1 LYS 70 4.253 -7.252 4.486 559 1HG LYS 70 HG2 LYS 70 5.870 -8.240 5.691 560 2HG LYS 70 HG1 LYS 70 4.727 -9.009 6.794 561 1HD LYS 70 HD2 LYS 70 5.326 -10.900 5.733 562 2HD LYS 70 HD1 LYS 70 4.212 -10.343 4.483 563 1HE LYS 70 HE2 LYS 70 6.043 -10.690 3.183 564 2HE LYS 70 HE1 LYS 70 6.380 -9.033 3.683 565 1HZ LYS 70 HZ1 LYS 70 8.346 -9.930 4.256 566 2HZ LYS 70 HZ2 LYS 70 7.731 -11.498 4.409 567 3HZ LYS 70 HZ3 LYS 70 7.524 -10.382 5.664 568 H LEU 71 HN LEU 71 0.463 -7.306 6.409 569 HA LEU 71 HA LEU 71 0.465 -9.410 8.447 570 1HB LEU 71 HB2 LEU 71 -1.730 -8.736 9.011 571 2HB LEU 71 HB1 LEU 71 -0.794 -7.269 8.804 572 HG LEU 71 HG LEU 71 -1.917 -7.748 6.290 573 1HD1 LEU 71 1HD1 LEU 71 -3.716 -8.613 8.492 574 2HD1 LEU 71 2HD1 LEU 71 -3.582 -9.209 6.837 575 3HD1 LEU 71 3HD1 LEU 71 -4.403 -7.683 7.161 576 1HD2 LEU 71 1HD2 LEU 71 -1.528 -5.578 7.394 577 2HD2 LEU 71 2HD2 LEU 71 -2.892 -5.898 8.464 578 3HD2 LEU 71 3HD2 LEU 71 -3.155 -5.718 6.729 579 H GLU 72 HN GLU 72 -0.735 -11.307 8.238 580 HA GLU 72 HA GLU 72 -1.832 -11.880 5.579 581 1HB GLU 72 HB2 GLU 72 0.213 -12.964 5.376 582 2HB GLU 72 HB1 GLU 72 0.281 -13.375 7.082 583 1HG GLU 72 HG2 GLU 72 -1.018 -15.235 6.832 584 2HG GLU 72 HG1 GLU 72 -1.840 -14.606 5.405 585 H TYR 73 HN TYR 73 -3.921 -12.274 5.884 586 HA TYR 73 HA TYR 73 -4.707 -14.139 8.004 587 1HB TYR 73 HB2 TYR 73 -5.120 -11.821 8.808 588 2HB TYR 73 HB1 TYR 73 -6.169 -11.555 7.419 589 HD1 TYR 73 HD1 TYR 73 -5.863 -14.463 9.741 590 HD2 TYR 73 HD2 TYR 73 -8.333 -11.352 8.219 591 HE1 TYR 73 HE1 TYR 73 -7.767 -15.359 11.015 592 HE2 TYR 73 HE2 TYR 73 -10.243 -12.238 9.489 593 HH TYR 73 HH TYR 73 -10.147 -14.032 11.945 594 H GLU 74 HN GLU 74 -6.030 -15.693 7.282 595 HA GLU 74 HA GLU 74 -7.217 -15.329 4.619 596 1HB GLU 74 HB2 GLU 74 -7.332 -17.823 4.555 597 2HB GLU 74 HB1 GLU 74 -5.700 -17.177 4.633 598 1HG GLU 74 HG2 GLU 74 -5.899 -17.555 7.168 599 2HG GLU 74 HG1 GLU 74 -7.275 -18.576 6.756 600 H PHE 75 HN PHE 75 -9.295 -14.978 4.525 601 HA PHE 75 HA PHE 75 -11.033 -15.253 6.754 602 1HB PHE 75 HB2 PHE 75 -11.136 -14.148 4.072 603 2HB PHE 75 HB1 PHE 75 -12.623 -15.001 4.468 604 HD1 PHE 75 HD1 PHE 75 -10.348 -13.014 6.641 605 HD2 PHE 75 HD2 PHE 75 -14.203 -13.359 4.868 606 HE1 PHE 75 HE1 PHE 75 -11.113 -11.064 7.931 607 HE2 PHE 75 HE2 PHE 75 -14.974 -11.410 6.155 608 HZ PHE 75 HZ PHE 75 -13.428 -10.260 7.690 609 HA PRO 76 HA PRO 76 -12.817 -19.271 6.656 610 1HB PRO 76 HB2 PRO 76 -15.450 -18.627 5.805 611 2HB PRO 76 HB1 PRO 76 -14.883 -18.851 7.460 612 1HG PRO 76 HG2 PRO 76 -15.291 -16.348 5.922 613 2HG PRO 76 HG1 PRO 76 -15.425 -16.636 7.666 614 1HD PRO 76 HD2 PRO 76 -13.340 -15.317 6.621 615 2HD PRO 76 HD1 PRO 76 -13.136 -16.411 8.003 616 H ASP 77 HN ASP 77 -11.469 -19.709 4.807 617 HA ASP 77 HA ASP 77 -11.539 -21.178 2.953 618 1HB ASP 77 HB2 ASP 77 -14.087 -20.920 2.881 619 2HB ASP 77 HB1 ASP 77 -13.805 -19.565 1.793 620 H ARG 78 HN ARG 78 -11.760 -17.717 2.993 621 HA ARG 78 HA ARG 78 -10.265 -17.491 0.492 622 1HB ARG 78 HB2 ARG 78 -12.251 -15.989 1.135 623 2HB ARG 78 HB1 ARG 78 -11.134 -15.202 2.243 624 1HG ARG 78 HG2 ARG 78 -9.641 -15.022 0.084 625 2HG ARG 78 HG1 ARG 78 -11.201 -15.172 -0.727 626 1HD ARG 78 HD2 ARG 78 -11.325 -13.298 1.473 627 2HD ARG 78 HD1 ARG 78 -10.068 -12.853 0.320 628 HE ARG 78 HE ARG 78 -11.693 -12.349 -1.215 629 1HH1 ARG 78 1HH1 ARG 78 -13.124 -14.155 1.406 630 2HH1 ARG 78 2HH1 ARG 78 -14.748 -13.891 0.867 631 1HH2 ARG 78 1HH2 ARG 78 -13.828 -12.001 -1.926 632 2HH2 ARG 78 2HH2 ARG 78 -15.149 -12.669 -1.025 633 H HIS 79 HN HIS 79 -8.243 -16.427 0.364 634 HA HIS 79 HA HIS 79 -6.791 -16.264 2.923 635 1HB HIS 79 HB2 HIS 79 -6.099 -18.226 1.584 636 2HB HIS 79 HB1 HIS 79 -5.679 -17.153 0.253 637 HD1 HIS 79 HD1 HIS 79 -3.518 -15.755 0.491 638 HD2 HIS 79 HD2 HIS 79 -4.269 -18.286 3.700 639 HE1 HIS 79 HE1 HIS 79 -1.382 -15.812 1.817 640 HE2 HIS 79 HE2 HIS 79 -1.834 -17.415 3.707 641 H ILE 80 HN ILE 80 -6.976 -14.064 3.183 642 HA ILE 80 HA ILE 80 -6.129 -12.318 1.011 643 HB ILE 80 HB ILE 80 -8.007 -12.061 3.095 644 1HG1 ILE 80 2HG1 ILE 80 -7.181 -9.709 1.455 645 2HG1 ILE 80 1HG1 ILE 80 -7.779 -11.144 0.630 646 1HG2 ILE 80 1HG2 ILE 80 -6.155 -11.242 4.519 647 2HG2 ILE 80 2HG2 ILE 80 -7.408 -10.033 4.241 648 3HG2 ILE 80 3HG2 ILE 80 -5.883 -9.941 3.360 649 1HD1 ILE 80 1HD1 ILE 80 -9.727 -10.017 0.885 650 2HD1 ILE 80 2HD1 ILE 80 -9.202 -9.218 2.368 651 3HD1 ILE 80 3HD1 ILE 80 -9.719 -10.904 2.410 652 H THR 81 HN THR 81 -4.266 -11.182 0.981 653 HA THR 81 HA THR 81 -2.527 -11.312 3.350 654 HB THR 81 HB THR 81 -0.964 -11.282 0.932 655 HG1 THR 81 HG1 THR 81 -2.824 -13.403 1.186 656 1HG2 THR 81 1HG2 THR 81 -0.250 -12.050 3.207 657 2HG2 THR 81 2HG2 THR 81 0.168 -13.125 1.873 658 3HG2 THR 81 3HG2 THR 81 -1.193 -13.514 2.924 659 H LEU 82 HN LEU 82 -2.050 -9.321 4.021 660 HA LEU 82 HA LEU 82 -1.966 -7.171 2.011 661 1HB LEU 82 HB2 LEU 82 -3.656 -7.311 4.108 662 2HB LEU 82 HB1 LEU 82 -2.317 -6.460 4.854 663 HG LEU 82 HG LEU 82 -3.721 -4.757 4.102 664 1HD1 LEU 82 1HD1 LEU 82 -2.537 -3.705 2.204 665 2HD1 LEU 82 2HD1 LEU 82 -1.648 -5.209 1.966 666 3HD1 LEU 82 3HD1 LEU 82 -1.453 -4.297 3.463 667 1HD2 LEU 82 1HD2 LEU 82 -4.842 -4.676 2.006 668 2HD2 LEU 82 2HD2 LEU 82 -5.142 -6.265 2.712 669 3HD2 LEU 82 3HD2 LEU 82 -3.960 -6.085 1.416 670 H TRP 83 HN TRP 83 0.032 -6.545 1.570 671 HA TRP 83 HA TRP 83 2.065 -6.642 3.699 672 1HB TRP 83 HB2 TRP 83 2.424 -6.627 0.695 673 2HB TRP 83 HB1 TRP 83 3.732 -6.647 1.867 674 HD1 TRP 83 HD1 TRP 83 0.710 -8.889 2.463 675 HE1 TRP 83 HE1 TRP 83 1.420 -11.337 2.170 676 HE3 TRP 83 HE3 TRP 83 5.411 -8.145 0.611 677 HZ2 TRP 83 HZ2 TRP 83 3.678 -12.773 1.271 678 HZ3 TRP 83 HZ3 TRP 83 6.784 -10.111 0.058 679 HH2 TRP 83 HH2 TRP 83 5.933 -12.377 0.382 680 H PHE 84 HN PHE 84 2.950 -4.793 4.401 681 HA PHE 84 HA PHE 84 2.444 -2.358 2.826 682 1HB PHE 84 HB2 PHE 84 2.404 -2.794 5.797 683 2HB PHE 84 HB1 PHE 84 2.745 -1.200 5.142 684 HD1 PHE 84 HD1 PHE 84 0.640 -2.481 2.783 685 HD2 PHE 84 HD2 PHE 84 0.557 -1.217 6.851 686 HE1 PHE 84 HE1 PHE 84 -1.765 -2.044 2.594 687 HE2 PHE 84 HE2 PHE 84 -1.857 -0.788 6.663 688 HZ PHE 84 HZ PHE 84 -3.022 -1.206 4.532 689 H TRP 85 HN TRP 85 4.208 -1.699 1.840 690 HA TRP 85 HA TRP 85 6.841 -2.258 2.970 691 1HB TRP 85 HB2 TRP 85 6.005 -1.236 0.252 692 2HB TRP 85 HB1 TRP 85 7.673 -1.530 0.735 693 HD1 TRP 85 HD1 TRP 85 4.369 -3.559 0.490 694 HE1 TRP 85 HE1 TRP 85 4.964 -5.954 -0.236 695 HE3 TRP 85 HE3 TRP 85 9.463 -3.129 0.360 696 HZ2 TRP 85 HZ2 TRP 85 7.284 -7.461 -0.791 697 HZ3 TRP 85 HZ3 TRP 85 10.795 -5.096 -0.275 698 HH2 TRP 85 HH2 TRP 85 9.727 -7.216 -0.840 699 H LEU 86 HN LEU 86 8.453 -0.642 3.279 700 HA LEU 86 HA LEU 86 7.286 1.982 3.863 701 1HB LEU 86 HB2 LEU 86 8.365 1.115 5.743 702 2HB LEU 86 HB1 LEU 86 9.740 0.554 4.817 703 HG LEU 86 HG LEU 86 10.383 2.947 4.444 704 1HD1 LEU 86 1HD1 LEU 86 8.693 3.798 6.708 705 2HD1 LEU 86 2HD1 LEU 86 7.876 3.567 5.162 706 3HD1 LEU 86 3HD1 LEU 86 9.227 4.693 5.285 707 1HD2 LEU 86 1HD2 LEU 86 10.186 1.964 7.288 708 2HD2 LEU 86 2HD2 LEU 86 11.215 3.291 6.750 709 3HD2 LEU 86 3HD2 LEU 86 11.496 1.658 6.148 710 H VAL 87 HN VAL 87 7.313 3.219 2.149 711 HA VAL 87 HA VAL 87 9.494 3.307 0.244 712 HB VAL 87 HB VAL 87 7.154 5.144 0.393 713 1HG1 VAL 87 1HG1 VAL 87 7.726 4.569 -2.245 714 2HG1 VAL 87 2HG1 VAL 87 9.305 4.706 -1.475 715 3HG1 VAL 87 3HG1 VAL 87 8.157 6.036 -1.369 716 1HG2 VAL 87 1HG2 VAL 87 6.431 3.264 -1.452 717 2HG2 VAL 87 2HG2 VAL 87 5.878 3.283 0.221 718 3HG2 VAL 87 3HG2 VAL 87 7.252 2.280 -0.239 719 H GLU 88 HN GLU 88 10.842 5.080 -0.154 720 HA GLU 88 HA GLU 88 10.924 6.911 2.125 721 1HB GLU 88 HB2 GLU 88 12.924 5.533 1.775 722 2HB GLU 88 HB1 GLU 88 13.134 6.249 0.183 723 1HG GLU 88 HG2 GLU 88 14.419 7.775 1.136 724 2HG GLU 88 HG1 GLU 88 12.968 8.419 1.905 725 H ARG 89 HN ARG 89 11.004 7.048 -1.462 726 HA ARG 89 HA ARG 89 9.985 9.715 -1.335 727 1HB ARG 89 HB2 ARG 89 11.916 10.814 -1.228 728 2HB ARG 89 HB1 ARG 89 12.841 9.346 -1.459 729 1HG ARG 89 HG2 ARG 89 13.552 10.464 -3.282 730 2HG ARG 89 HG1 ARG 89 12.095 9.777 -3.998 731 1HD ARG 89 HD2 ARG 89 11.746 11.945 -4.569 732 2HD ARG 89 HD1 ARG 89 11.042 11.998 -2.954 733 HE ARG 89 HE ARG 89 12.665 13.484 -2.400 734 1HH1 ARG 89 1HH1 ARG 89 13.878 11.501 -5.004 735 2HH1 ARG 89 2HH1 ARG 89 15.389 12.340 -5.106 736 1HH2 ARG 89 1HH2 ARG 89 14.651 14.589 -2.533 737 2HH2 ARG 89 2HH2 ARG 89 15.828 14.093 -3.704 738 H TRP 90 HN TRP 90 9.722 10.706 -3.535 739 HA TRP 90 HA TRP 90 9.806 8.816 -5.724 740 1HB TRP 90 HB2 TRP 90 7.512 8.777 -6.212 741 2HB TRP 90 HB1 TRP 90 7.596 8.546 -4.473 742 HD1 TRP 90 HD1 TRP 90 6.838 11.347 -7.031 743 HE1 TRP 90 HE1 TRP 90 5.161 12.974 -5.950 744 HE3 TRP 90 HE3 TRP 90 6.637 9.320 -2.343 745 HZ2 TRP 90 HZ2 TRP 90 3.917 13.345 -3.446 746 HZ3 TRP 90 HZ3 TRP 90 5.178 10.367 -0.668 747 HH2 TRP 90 HH2 TRP 90 3.848 12.336 -1.206 748 H GLU 91 HN GLU 91 10.357 9.758 -7.583 749 HA GLU 91 HA GLU 91 10.713 12.609 -7.648 750 1HB GLU 91 HB2 GLU 91 12.343 11.104 -8.690 751 2HB GLU 91 HB1 GLU 91 11.111 10.526 -9.803 752 1HG GLU 91 HG2 GLU 91 12.293 12.047 -11.073 753 2HG GLU 91 HG1 GLU 91 10.908 12.988 -10.519 754 H GLY 92 HN GLY 92 9.088 13.958 -8.040 755 1HA GLY 92 HA2 GLY 92 7.489 14.969 -9.427 756 2HA GLY 92 HA1 GLY 92 7.366 13.473 -10.341 757 H GLU 93 HN GLU 93 5.428 12.582 -10.186 758 HA GLU 93 HA GLU 93 4.108 12.536 -7.568 759 1HB GLU 93 HB2 GLU 93 2.584 13.029 -10.119 760 2HB GLU 93 HB1 GLU 93 2.000 13.166 -8.466 761 1HG GLU 93 HG2 GLU 93 3.174 15.159 -8.098 762 2HG GLU 93 HG1 GLU 93 4.187 14.923 -9.522 763 HA PRO 94 HA PRO 94 3.636 8.250 -8.688 764 1HB PRO 94 HB2 PRO 94 1.760 7.905 -6.515 765 2HB PRO 94 HB1 PRO 94 3.440 7.377 -6.608 766 1HG PRO 94 HG2 PRO 94 2.557 9.335 -4.918 767 2HG PRO 94 HG1 PRO 94 4.216 9.238 -5.532 768 1HD PRO 94 HD2 PRO 94 1.948 10.960 -6.460 769 2HD PRO 94 HD1 PRO 94 3.665 11.363 -6.266 770 H TRP 95 HN TRP 95 2.355 7.372 -10.198 771 HA TRP 95 HA TRP 95 -0.493 8.059 -10.095 772 1HB TRP 95 HB2 TRP 95 -0.493 8.035 -12.611 773 2HB TRP 95 HB1 TRP 95 0.343 9.390 -11.870 774 HD1 TRP 95 HD1 TRP 95 2.962 9.568 -12.257 775 HE1 TRP 95 HE1 TRP 95 4.545 8.497 -13.990 776 HE3 TRP 95 HE3 TRP 95 -0.038 5.746 -13.812 777 HZ2 TRP 95 HZ2 TRP 95 4.493 6.327 -15.799 778 HZ3 TRP 95 HZ3 TRP 95 0.793 4.223 -15.553 779 HH2 TRP 95 HH2 TRP 95 3.018 4.499 -16.515 780 H GLY 96 HN GLY 96 1.741 5.881 -11.809 781 1HA GLY 96 HA2 GLY 96 1.418 3.702 -12.526 782 2HA GLY 96 HA1 GLY 96 0.944 3.468 -10.856 783 H LYS 97 HN LYS 97 -1.171 3.110 -10.347 784 HA LYS 97 HA LYS 97 -3.407 3.738 -11.875 785 1HB LYS 97 HB2 LYS 97 -1.998 1.828 -13.215 786 2HB LYS 97 HB1 LYS 97 -3.083 0.832 -12.257 787 1HG LYS 97 HG2 LYS 97 -4.271 3.119 -13.715 788 2HG LYS 97 HG1 LYS 97 -3.725 1.736 -14.665 789 1HD LYS 97 HD2 LYS 97 -5.765 0.905 -14.212 790 2HD LYS 97 HD1 LYS 97 -5.059 0.497 -12.647 791 1HE LYS 97 HE2 LYS 97 -6.000 2.383 -11.609 792 2HE LYS 97 HE1 LYS 97 -6.363 3.154 -13.154 793 1HZ LYS 97 HZ1 LYS 97 -7.836 1.096 -11.713 794 2HZ LYS 97 HZ2 LYS 97 -7.800 0.952 -13.398 795 3HZ LYS 97 HZ3 LYS 97 -8.408 2.359 -12.683 796 H GLU 98 HN GLU 98 -2.637 3.599 -9.143 797 HA GLU 98 HA GLU 98 -3.536 1.423 -7.681 798 1HB GLU 98 HB2 GLU 98 -4.137 3.209 -5.920 799 2HB GLU 98 HB1 GLU 98 -2.463 3.097 -6.447 800 1HG GLU 98 HG2 GLU 98 -2.738 5.009 -7.884 801 2HG GLU 98 HG1 GLU 98 -4.461 5.077 -7.518 802 H GLY 99 HN GLY 99 -5.392 4.134 -9.013 803 1HA GLY 99 HA2 GLY 99 -7.613 3.773 -9.853 804 2HA GLY 99 HA1 GLY 99 -7.825 2.521 -8.640 805 H GLN 100 HN GLN 100 -6.352 4.876 -6.959 806 HA GLN 100 HA GLN 100 -8.767 6.466 -6.491 807 1HB GLN 100 HB2 GLN 100 -7.300 4.856 -4.405 808 2HB GLN 100 HB1 GLN 100 -8.389 6.176 -4.003 809 1HG GLN 100 HG2 GLN 100 -9.923 4.555 -3.884 810 2HG GLN 100 HG1 GLN 100 -9.962 4.716 -5.640 811 1HE2 GLN 100 1HE2 GLN 100 -10.733 2.502 -5.564 812 2HE2 GLN 100 2HE2 GLN 100 -9.588 1.213 -5.465 813 HA PRO 101 HA PRO 101 -5.389 9.474 -7.061 814 1HB PRO 101 HB2 PRO 101 -7.850 11.021 -6.323 815 2HB PRO 101 HB1 PRO 101 -6.604 11.415 -7.515 816 1HG PRO 101 HG2 PRO 101 -8.903 10.405 -8.318 817 2HG PRO 101 HG1 PRO 101 -7.388 9.819 -9.033 818 1HD PRO 101 HD2 PRO 101 -9.185 8.503 -7.058 819 2HD PRO 101 HD1 PRO 101 -8.176 7.780 -8.327 820 H GLY 102 HN GLY 102 -4.142 10.585 -5.600 821 1HA GLY 102 HA2 GLY 102 -5.168 10.832 -2.846 822 2HA GLY 102 HA1 GLY 102 -3.601 10.096 -3.146 823 H GLU 103 HN GLU 103 -3.452 12.067 -1.475 824 HA GLU 103 HA GLU 103 -2.190 14.221 -3.001 825 1HB GLU 103 HB2 GLU 103 -4.484 14.507 -1.128 826 2HB GLU 103 HB1 GLU 103 -3.212 15.717 -1.027 827 1HG GLU 103 HG2 GLU 103 -3.638 15.597 -3.710 828 2HG GLU 103 HG1 GLU 103 -5.254 15.293 -3.076 829 H TRP 104 HN TRP 104 -0.619 15.449 -1.718 830 HA TRP 104 HA TRP 104 0.924 13.755 -0.055 831 1HB TRP 104 HB2 TRP 104 1.274 16.735 0.008 832 2HB TRP 104 HB1 TRP 104 2.503 15.476 0.022 833 HD1 TRP 104 HD1 TRP 104 1.499 13.940 -2.635 834 HE1 TRP 104 HE1 TRP 104 1.935 15.032 -4.924 835 HE3 TRP 104 HE3 TRP 104 2.133 18.781 -1.118 836 HZ2 TRP 104 HZ2 TRP 104 2.475 17.605 -5.951 837 HZ3 TRP 104 HZ3 TRP 104 2.606 20.497 -2.817 838 HH2 TRP 104 HH2 TRP 104 2.773 19.920 -5.183 839 H MET 105 HN MET 105 0.161 13.097 1.853 840 HA MET 105 HA MET 105 -0.847 15.145 3.715 841 1HB MET 105 HB2 MET 105 -1.999 13.043 4.795 842 2HB MET 105 HB1 MET 105 -2.751 13.889 3.452 843 1HG MET 105 HG2 MET 105 -1.598 12.180 1.952 844 2HG MET 105 HG1 MET 105 -1.298 11.269 3.431 845 1HE MET 105 HE1 MET 105 -4.761 10.658 4.847 846 2HE MET 105 HE2 MET 105 -4.759 12.407 4.625 847 3HE MET 105 HE3 MET 105 -3.307 11.590 5.204 848 H SER 106 HN SER 106 -0.537 14.577 6.036 849 HA SER 106 HA SER 106 2.182 13.638 6.416 850 1HB SER 106 HB2 SER 106 1.782 14.380 8.797 851 2HB SER 106 HB1 SER 106 1.612 15.654 7.589 852 HG SER 106 HG SER 106 -0.559 14.156 8.635 853 H LEU 107 HN LEU 107 2.569 11.553 6.735 854 HA LEU 107 HA LEU 107 0.525 9.710 7.521 855 1HB LEU 107 HB2 LEU 107 2.767 9.449 6.070 856 2HB LEU 107 HB1 LEU 107 3.374 8.898 7.619 857 HG LEU 107 HG LEU 107 2.667 6.995 6.323 858 1HD1 LEU 107 1HD1 LEU 107 0.577 7.495 8.427 859 2HD1 LEU 107 2HD1 LEU 107 2.243 7.038 8.783 860 3HD1 LEU 107 3HD1 LEU 107 1.203 5.941 7.873 861 1HD2 LEU 107 1HD2 LEU 107 -0.185 7.766 6.307 862 2HD2 LEU 107 2HD2 LEU 107 0.747 6.832 5.137 863 3HD2 LEU 107 3HD2 LEU 107 0.863 8.592 5.155 864 H VAL 108 HN VAL 108 2.798 11.633 9.209 865 HA VAL 108 HA VAL 108 3.403 10.122 11.444 866 HB VAL 108 HB VAL 108 4.400 12.314 10.993 867 1HG1 VAL 108 1HG1 VAL 108 2.965 13.908 10.340 868 2HG1 VAL 108 2HG1 VAL 108 2.753 14.202 12.066 869 3HG1 VAL 108 3HG1 VAL 108 1.609 13.178 11.199 870 1HG2 VAL 108 1HG2 VAL 108 3.104 12.650 13.654 871 2HG2 VAL 108 2HG2 VAL 108 4.796 12.828 13.192 872 3HG2 VAL 108 3HG2 VAL 108 4.094 11.220 13.364 873 H GLY 109 HN GLY 109 0.329 11.360 10.503 874 1HA GLY 109 HA2 GLY 109 -0.755 10.462 13.085 875 2HA GLY 109 HA1 GLY 109 -1.223 12.030 12.450 876 H LEU 110 HN LEU 110 -0.850 8.830 10.922 877 HA LEU 110 HA LEU 110 -3.105 9.138 9.259 878 1HB LEU 110 HB2 LEU 110 -1.340 7.559 8.727 879 2HB LEU 110 HB1 LEU 110 -1.691 6.633 10.174 880 HG LEU 110 HG LEU 110 -3.905 6.990 8.227 881 1HD1 LEU 110 1HD1 LEU 110 -1.511 5.230 7.745 882 2HD1 LEU 110 2HD1 LEU 110 -2.150 6.493 6.694 883 3HD1 LEU 110 3HD1 LEU 110 -3.070 5.011 6.951 884 1HD2 LEU 110 1HD2 LEU 110 -4.250 4.587 8.897 885 2HD2 LEU 110 2HD2 LEU 110 -4.403 5.769 10.194 886 3HD2 LEU 110 3HD2 LEU 110 -2.935 4.803 10.051 887 H ASN 111 HN ASN 111 -5.182 8.158 9.369 888 HA ASN 111 HA ASN 111 -6.027 7.577 12.123 889 1HB ASN 111 HB2 ASN 111 -7.032 9.417 10.183 890 2HB ASN 111 HB1 ASN 111 -8.280 8.226 10.533 891 1HD2 ASN 111 1HD2 ASN 111 -9.043 8.020 12.665 892 2HD2 ASN 111 2HD2 ASN 111 -8.857 9.300 13.810 893 H ALA 112 HN ALA 112 -6.981 5.732 12.615 894 HA ALA 112 HA ALA 112 -7.119 3.633 10.687 895 1HB ALA 112 HB1 ALA 112 -8.382 3.510 13.410 896 2HB ALA 112 HB2 ALA 112 -6.633 3.431 13.202 897 3HB ALA 112 HB3 ALA 112 -7.665 2.205 12.463 898 H ASP 113 HN ASP 113 -9.238 6.119 11.631 899 HA ASP 113 HA ASP 113 -11.701 4.742 11.082 900 1HB ASP 113 HB2 ASP 113 -11.001 7.099 12.391 901 2HB ASP 113 HB1 ASP 113 -11.859 7.643 10.952 902 H ASP 114 HN ASP 114 -9.724 7.172 9.405 903 HA ASP 114 HA ASP 114 -11.416 7.342 7.131 904 1HB ASP 114 HB2 ASP 114 -9.015 8.591 8.071 905 2HB ASP 114 HB1 ASP 114 -8.836 8.161 6.377 906 H PHE 115 HN PHE 115 -8.908 5.158 8.040 907 HA PHE 115 HA PHE 115 -8.592 4.193 5.296 908 1HB PHE 115 HB2 PHE 115 -6.547 3.412 5.913 909 2HB PHE 115 HB1 PHE 115 -6.733 4.568 7.234 910 HD1 PHE 115 HD1 PHE 115 -5.269 1.677 6.885 911 HD2 PHE 115 HD2 PHE 115 -8.698 3.171 8.888 912 HE1 PHE 115 HE1 PHE 115 -5.107 -0.137 8.529 913 HE2 PHE 115 HE2 PHE 115 -8.538 1.363 10.543 914 HZ PHE 115 HZ PHE 115 -6.739 -0.296 10.357 915 HA PRO 116 HA PRO 116 -10.956 0.505 5.937 916 1HB PRO 116 HB2 PRO 116 -9.451 -1.526 5.000 917 2HB PRO 116 HB1 PRO 116 -10.125 -0.287 3.934 918 1HG PRO 116 HG2 PRO 116 -7.352 -0.550 5.019 919 2HG PRO 116 HG1 PRO 116 -7.880 -0.077 3.394 920 1HD PRO 116 HD2 PRO 116 -7.093 1.698 5.323 921 2HD PRO 116 HD1 PRO 116 -8.210 2.104 4.007 922 HA PRO 117 HA PRO 117 -9.858 -0.993 10.000 923 1HB PRO 117 HB2 PRO 117 -11.729 -3.002 10.136 924 2HB PRO 117 HB1 PRO 117 -12.066 -1.301 10.467 925 1HG PRO 117 HG2 PRO 117 -12.540 -2.875 7.968 926 2HG PRO 117 HG1 PRO 117 -13.587 -1.677 8.754 927 1HD PRO 117 HD2 PRO 117 -12.119 -1.053 6.599 928 2HD PRO 117 HD1 PRO 117 -12.377 0.115 7.913 929 H ALA 118 HN ALA 118 -9.700 -2.857 7.118 930 HA ALA 118 HA ALA 118 -8.958 -5.359 8.141 931 1HB ALA 118 HB1 ALA 118 -9.442 -5.547 5.939 932 2HB ALA 118 HB2 ALA 118 -7.691 -5.388 5.799 933 3HB ALA 118 HB3 ALA 118 -8.728 -3.986 5.533 934 H ASN 119 HN ASN 119 -7.216 -2.433 8.276 935 HA ASN 119 HA ASN 119 -4.779 -3.951 8.916 936 1HB ASN 119 HB2 ASN 119 -5.092 -2.135 6.763 937 2HB ASN 119 HB1 ASN 119 -4.065 -1.345 7.950 938 1HD2 ASN 119 1HD2 ASN 119 -4.063 -3.291 5.332 939 2HD2 ASN 119 2HD2 ASN 119 -2.539 -4.074 5.548 940 H GLU 120 HN GLU 120 -6.732 -3.068 10.781 941 HA GLU 120 HA GLU 120 -5.834 -0.625 11.991 942 1HB GLU 120 HB2 GLU 120 -8.069 -2.350 12.273 943 2HB GLU 120 HB1 GLU 120 -7.303 -2.225 13.850 944 1HG GLU 120 HG2 GLU 120 -7.306 0.356 13.182 945 2HG GLU 120 HG1 GLU 120 -8.702 -0.178 12.248 946 HA PRO 121 HA PRO 121 -4.027 -3.926 15.226 947 1HB PRO 121 HB2 PRO 121 -3.271 -5.898 13.122 948 2HB PRO 121 HB1 PRO 121 -3.782 -6.180 14.794 949 1HG PRO 121 HG2 PRO 121 -5.458 -6.643 12.787 950 2HG PRO 121 HG1 PRO 121 -6.036 -5.893 14.288 951 1HD PRO 121 HD2 PRO 121 -5.475 -4.640 11.634 952 2HD PRO 121 HD1 PRO 121 -6.760 -4.278 12.805 953 H VAL 122 HN VAL 122 -2.900 -3.705 11.894 954 HA VAL 122 HA VAL 122 -0.119 -3.605 12.583 955 HB VAL 122 HB VAL 122 -1.106 -2.596 9.959 956 1HG1 VAL 122 1HG1 VAL 122 1.098 -4.547 10.568 957 2HG1 VAL 122 2HG1 VAL 122 1.321 -2.799 10.607 958 3HG1 VAL 122 3HG1 VAL 122 0.860 -3.595 9.102 959 1HG2 VAL 122 1HG2 VAL 122 -1.049 -5.156 9.316 960 2HG2 VAL 122 2HG2 VAL 122 -2.526 -4.370 9.875 961 3HG2 VAL 122 3HG2 VAL 122 -1.564 -5.338 10.994 962 H ILE 123 HN ILE 123 -2.475 -1.273 11.321 963 HA ILE 123 HA ILE 123 -0.751 0.958 11.413 964 HB ILE 123 HB ILE 123 -3.750 0.718 11.312 965 1HG1 ILE 123 2HG1 ILE 123 -1.814 0.338 9.394 966 2HG1 ILE 123 1HG1 ILE 123 -3.500 0.717 9.075 967 1HG2 ILE 123 1HG2 ILE 123 -2.086 3.229 11.276 968 2HG2 ILE 123 2HG2 ILE 123 -3.335 2.788 12.442 969 3HG2 ILE 123 3HG2 ILE 123 -3.773 3.148 10.771 970 1HD1 ILE 123 1HD1 ILE 123 -1.672 2.091 7.915 971 2HD1 ILE 123 2HD1 ILE 123 -1.499 2.899 9.474 972 3HD1 ILE 123 3HD1 ILE 123 -3.046 2.938 8.625 973 H ALA 124 HN ALA 124 -2.808 -0.562 13.788 974 HA ALA 124 HA ALA 124 -3.106 1.495 15.632 975 1HB ALA 124 HB1 ALA 124 -2.895 -0.613 17.281 976 2HB ALA 124 HB2 ALA 124 -3.138 -1.457 15.751 977 3HB ALA 124 HB3 ALA 124 -4.330 -0.284 16.310 978 H LYS 125 HN LYS 125 -0.353 -0.513 14.890 979 HA LYS 125 HA LYS 125 1.161 0.201 17.217 980 1HB LYS 125 HB2 LYS 125 1.614 -1.357 14.747 981 2HB LYS 125 HB1 LYS 125 3.048 -0.632 15.462 982 1HG LYS 125 HG2 LYS 125 1.783 -1.747 17.631 983 2HG LYS 125 HG1 LYS 125 1.465 -2.909 16.341 984 1HD LYS 125 HD2 LYS 125 4.208 -1.818 16.933 985 2HD LYS 125 HD1 LYS 125 3.577 -3.290 17.673 986 1HE LYS 125 HE2 LYS 125 3.073 -3.922 15.163 987 2HE LYS 125 HE1 LYS 125 4.362 -2.759 14.850 988 1HZ LYS 125 HZ1 LYS 125 5.498 -4.200 16.753 989 2HZ LYS 125 HZ2 LYS 125 5.625 -4.593 15.113 990 3HZ LYS 125 HZ3 LYS 125 4.496 -5.390 16.088 991 H LEU 126 HN LEU 126 1.373 1.155 13.786 992 HA LEU 126 HA LEU 126 3.347 3.169 14.323 993 1HB LEU 126 HB2 LEU 126 2.982 1.808 12.162 994 2HB LEU 126 HB1 LEU 126 1.725 2.978 11.807 995 HG LEU 126 HG LEU 126 3.750 4.667 12.333 996 1HD1 LEU 126 1HD1 LEU 126 5.101 2.342 12.492 997 2HD1 LEU 126 2HD1 LEU 126 5.824 3.866 11.977 998 3HD1 LEU 126 3HD1 LEU 126 5.282 2.695 10.774 999 1HD2 LEU 126 1HD2 LEU 126 2.429 4.791 10.350 1000 2HD2 LEU 126 2HD2 LEU 126 3.104 3.282 9.738 1001 3HD2 LEU 126 3HD2 LEU 126 4.122 4.717 9.862 1002 H LYS 127 HN LYS 127 -0.080 3.060 14.361 1003 HA LYS 127 HA LYS 127 -0.496 5.865 13.862 1004 1HB LYS 127 HB2 LYS 127 -2.161 4.102 13.349 1005 2HB LYS 127 HB1 LYS 127 -2.382 3.842 15.068 1006 1HG LYS 127 HG2 LYS 127 -3.288 6.016 15.365 1007 2HG LYS 127 HG1 LYS 127 -2.851 6.488 13.722 1008 1HD LYS 127 HD2 LYS 127 -4.975 5.939 13.230 1009 2HD LYS 127 HD1 LYS 127 -4.378 4.279 13.266 1010 1HE LYS 127 HE2 LYS 127 -5.752 3.822 14.948 1011 2HE LYS 127 HE1 LYS 127 -4.957 5.048 15.934 1012 1HZ LYS 127 HZ1 LYS 127 -6.522 6.573 14.419 1013 2HZ LYS 127 HZ2 LYS 127 -7.002 5.950 15.917 1014 3HZ LYS 127 HZ3 LYS 127 -7.473 5.175 14.489 1015 H ARG 128 HN ARG 128 -0.454 3.716 16.659 1016 HA ARG 128 HA ARG 128 -1.119 5.701 18.571 1017 1HB ARG 128 HB2 ARG 128 -1.425 3.366 19.103 1018 2HB ARG 128 HB1 ARG 128 0.279 3.034 18.834 1019 1HG ARG 128 HG2 ARG 128 0.860 4.394 20.772 1020 2HG ARG 128 HG1 ARG 128 -0.847 4.760 21.032 1021 1HD ARG 128 HD2 ARG 128 -0.731 1.983 20.868 1022 2HD ARG 128 HD1 ARG 128 0.687 2.434 21.813 1023 HE ARG 128 HE ARG 128 -2.070 2.647 22.606 1024 1HH1 ARG 128 1HH1 ARG 128 1.166 3.839 23.138 1025 2HH1 ARG 128 2HH1 ARG 128 0.840 4.367 24.755 1026 1HH2 ARG 128 1HH2 ARG 128 -2.501 3.340 24.731 1027 2HH2 ARG 128 2HH2 ARG 128 -1.242 4.084 25.660 1028 H LEU 129 HN LEU 129 1.596 5.262 16.663 1029 HA LEU 129 HA LEU 129 3.719 5.862 18.388 1030 1HB LEU 129 HB2 LEU 129 4.885 5.656 16.511 1031 2HB LEU 129 HB1 LEU 129 3.373 5.474 15.649 1032 HG LEU 129 HG LEU 129 4.708 8.130 16.138 1033 1HD1 LEU 129 1HD1 LEU 129 4.682 6.963 13.433 1034 2HD1 LEU 129 2HD1 LEU 129 5.787 6.218 14.588 1035 3HD1 LEU 129 3HD1 LEU 129 5.907 7.942 14.238 1036 1HD2 LEU 129 1HD2 LEU 129 2.780 7.627 13.939 1037 2HD2 LEU 129 2HD2 LEU 129 3.065 9.087 14.885 1038 3HD2 LEU 129 3HD2 LEU 129 2.141 7.754 15.577 1039 1HO1 MO2 130 1HO1 MO2 130 -4.598 -2.735 -10.150 1040 2HO1 MO2 130 2HO1 MO2 130 -2.126 -1.083 -7.583 1041 1HO2 MO2 130 1HO2 MO2 130 -4.197 -4.005 -10.866 1042 2HO2 MO2 130 2HO2 MO2 130 -3.454 -1.123 -8.304 1043 1H5* 8OG 131 1H5* ODG 131 -8.175 -9.485 -3.829 1044 2H5* 8OG 131 2H5* ODG 131 -9.712 -8.696 -4.016 1045 H4* 8OG 131 1H4* ODG 131 -7.305 -7.713 -2.499 1046 H3* 8OG 131 1H3* ODG 131 -9.485 -9.302 -1.635 1047 1H2* 8OG 131 1H2* ODG 131 -10.802 -7.856 -0.551 1048 2H2* 8OG 131 2H2* ODG 131 -9.432 -7.261 0.359 1049 H1* 8OG 131 1H1* ODG 131 -9.354 -5.405 -0.841 1050 H1 8OG 131 H1 ODG 131 -13.325 -0.975 -0.828 1051 H7 8OG 131 H7 ODG 131 -14.187 -5.592 -2.508 1052 1H2 8OG 131 H21 ODG 131 -9.960 -0.963 0.126 1053 2H2 8OG 131 H22 ODG 131 -11.430 -0.055 -0.006 1054 H3T 8OG 131 *HO1 ODG 131 -7.285 -8.116 -0.213 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -10.570 -23.964 -2.022 2 2H MET 1 HT2 MET 1 -9.953 -23.351 -3.503 3 3H MET 1 HT3 MET 1 -11.284 -22.581 -2.740 4 HA MET 1 HA MET 1 -9.992 -21.811 -1.002 5 1HB MET 1 HB2 MET 1 -7.831 -23.577 -2.170 6 2HB MET 1 HB1 MET 1 -7.587 -22.451 -0.843 7 1HG MET 1 HG2 MET 1 -9.798 -24.088 -0.182 8 2HG MET 1 HG1 MET 1 -8.505 -25.136 -0.761 9 1HE MET 1 HE1 MET 1 -8.956 -24.653 3.293 10 2HE MET 1 HE2 MET 1 -8.599 -26.052 2.280 11 3HE MET 1 HE3 MET 1 -9.970 -25.012 1.895 12 H LYS 2 HN LYS 2 -10.167 -19.804 -1.841 13 HA LYS 2 HA LYS 2 -8.550 -19.107 -4.186 14 1HB LYS 2 HB2 LYS 2 -11.098 -18.598 -3.917 15 2HB LYS 2 HB1 LYS 2 -10.545 -17.264 -2.916 16 1HG LYS 2 HG2 LYS 2 -8.993 -16.838 -5.033 17 2HG LYS 2 HG1 LYS 2 -10.329 -17.664 -5.838 18 1HD LYS 2 HD2 LYS 2 -10.917 -15.405 -5.938 19 2HD LYS 2 HD1 LYS 2 -11.844 -16.024 -4.570 20 1HE LYS 2 HE2 LYS 2 -10.622 -14.864 -3.040 21 2HE LYS 2 HE1 LYS 2 -9.146 -14.940 -4.001 22 1HZ LYS 2 HZ1 LYS 2 -10.623 -12.740 -3.714 23 2HZ LYS 2 HZ2 LYS 2 -11.291 -13.358 -5.139 24 3HZ LYS 2 HZ3 LYS 2 -9.633 -13.034 -5.055 25 H LYS 3 HN LYS 3 -6.540 -18.591 -3.542 26 HA LYS 3 HA LYS 3 -6.125 -17.020 -1.129 27 1HB LYS 3 HB2 LYS 3 -3.753 -17.416 -1.503 28 2HB LYS 3 HB1 LYS 3 -4.643 -18.929 -1.611 29 1HG LYS 3 HG2 LYS 3 -4.658 -18.372 -4.174 30 2HG LYS 3 HG1 LYS 3 -3.261 -17.384 -3.742 31 1HD LYS 3 HD2 LYS 3 -2.123 -19.301 -4.078 32 2HD LYS 3 HD1 LYS 3 -2.665 -19.677 -2.441 33 1HE LYS 3 HE2 LYS 3 -4.560 -20.351 -4.591 34 2HE LYS 3 HE1 LYS 3 -3.061 -21.280 -4.586 35 1HZ LYS 3 HZ1 LYS 3 -3.573 -22.272 -2.627 36 2HZ LYS 3 HZ2 LYS 3 -5.149 -22.001 -3.178 37 3HZ LYS 3 HZ3 LYS 3 -4.461 -20.955 -2.041 38 H LEU 4 HN LEU 4 -6.017 -14.882 -1.142 39 HA LEU 4 HA LEU 4 -5.210 -13.524 -3.629 40 1HB LEU 4 HB2 LEU 4 -6.788 -11.757 -3.165 41 2HB LEU 4 HB1 LEU 4 -7.625 -13.296 -3.227 42 HG LEU 4 HG LEU 4 -7.195 -13.159 -0.582 43 1HD1 LEU 4 1HD1 LEU 4 -8.001 -10.441 -0.608 44 2HD1 LEU 4 2HD1 LEU 4 -6.494 -10.572 -1.514 45 3HD1 LEU 4 3HD1 LEU 4 -6.580 -11.161 0.147 46 1HD2 LEU 4 1HD2 LEU 4 -9.490 -11.534 -1.435 47 2HD2 LEU 4 2HD2 LEU 4 -9.435 -13.003 -0.462 48 3HD2 LEU 4 3HD2 LEU 4 -9.347 -13.106 -2.221 49 H GLN 5 HN GLN 5 -3.407 -12.397 -3.392 50 HA GLN 5 HA GLN 5 -2.602 -11.556 -0.699 51 1HB GLN 5 HB2 GLN 5 -0.734 -11.394 -3.015 52 2HB GLN 5 HB1 GLN 5 -0.398 -11.751 -1.329 53 1HG GLN 5 HG2 GLN 5 -1.156 -13.981 -1.556 54 2HG GLN 5 HG1 GLN 5 -1.846 -13.650 -3.142 55 1HE2 GLN 5 1HE2 GLN 5 1.265 -13.450 -1.450 56 2HE2 GLN 5 2HE2 GLN 5 2.215 -14.032 -2.770 57 H ILE 6 HN ILE 6 -1.784 -9.482 -0.322 58 HA ILE 6 HA ILE 6 -2.194 -7.457 -2.383 59 HB ILE 6 HB ILE 6 -3.406 -7.303 0.382 60 1HG1 ILE 6 2HG1 ILE 6 -5.383 -6.844 -1.515 61 2HG1 ILE 6 1HG1 ILE 6 -4.436 -8.154 -2.211 62 1HG2 ILE 6 1HG2 ILE 6 -3.413 -5.100 0.180 63 2HG2 ILE 6 2HG2 ILE 6 -4.281 -5.223 -1.350 64 3HG2 ILE 6 3HG2 ILE 6 -2.518 -5.242 -1.331 65 1HD1 ILE 6 1HD1 ILE 6 -4.990 -9.619 -0.545 66 2HD1 ILE 6 2HD1 ILE 6 -6.458 -8.647 -0.640 67 3HD1 ILE 6 3HD1 ILE 6 -5.279 -8.340 0.635 68 H ALA 7 HN ALA 7 -0.677 -5.883 -2.331 69 HA ALA 7 HA ALA 7 1.057 -5.723 0.050 70 1HB ALA 7 HB1 ALA 7 2.901 -5.123 -1.606 71 2HB ALA 7 HB2 ALA 7 1.844 -5.781 -2.856 72 3HB ALA 7 HB3 ALA 7 2.406 -6.812 -1.538 73 H VAL 8 HN VAL 8 2.071 -3.566 0.328 74 HA VAL 8 HA VAL 8 0.847 -1.460 -1.253 75 HB VAL 8 HB VAL 8 -0.572 -0.667 0.222 76 1HG1 VAL 8 1HG1 VAL 8 -0.998 -3.039 0.629 77 2HG1 VAL 8 2HG1 VAL 8 -1.316 -2.070 2.067 78 3HG1 VAL 8 3HG1 VAL 8 0.164 -3.023 1.955 79 1HG2 VAL 8 1HG2 VAL 8 1.066 0.592 1.390 80 2HG2 VAL 8 2HG2 VAL 8 1.669 -0.837 2.229 81 3HG2 VAL 8 3HG2 VAL 8 0.078 -0.194 2.622 82 H GLY 9 HN GLY 9 1.723 0.697 -0.784 83 1HA GLY 9 HA2 GLY 9 4.279 0.732 0.601 84 2HA GLY 9 HA1 GLY 9 4.341 1.000 -1.128 85 H ILE 10 HN ILE 10 3.847 2.399 1.900 86 HA ILE 10 HA ILE 10 2.406 4.734 0.999 87 HB ILE 10 HB ILE 10 3.944 5.289 3.381 88 1HG1 ILE 10 2HG1 ILE 10 2.351 2.714 3.424 89 2HG1 ILE 10 1HG1 ILE 10 4.070 2.896 3.756 90 1HG2 ILE 10 1HG2 ILE 10 2.017 6.240 4.008 91 2HG2 ILE 10 2HG2 ILE 10 1.071 4.794 3.654 92 3HG2 ILE 10 3HG2 ILE 10 1.502 5.906 2.355 93 1HD1 ILE 10 1HD1 ILE 10 1.916 4.167 5.419 94 2HD1 ILE 10 2HD1 ILE 10 3.635 4.040 5.790 95 3HD1 ILE 10 3HD1 ILE 10 2.628 2.591 5.765 96 H ILE 11 HN ILE 11 3.349 6.036 -0.432 97 HA ILE 11 HA ILE 11 6.155 6.163 -0.798 98 HB ILE 11 HB ILE 11 4.441 8.330 -1.894 99 1HG1 ILE 11 2HG1 ILE 11 4.158 5.401 -2.491 100 2HG1 ILE 11 1HG1 ILE 11 2.905 6.629 -2.335 101 1HG2 ILE 11 1HG2 ILE 11 6.286 6.665 -3.510 102 2HG2 ILE 11 2HG2 ILE 11 6.999 7.702 -2.274 103 3HG2 ILE 11 3HG2 ILE 11 6.000 8.404 -3.546 104 1HD1 ILE 11 1HD1 ILE 11 3.984 7.605 -4.488 105 2HD1 ILE 11 2HD1 ILE 11 2.899 6.217 -4.591 106 3HD1 ILE 11 3HD1 ILE 11 4.646 5.981 -4.660 107 H ARG 12 HN ARG 12 7.623 7.305 0.167 108 HA ARG 12 HA ARG 12 6.917 9.299 2.121 109 1HB ARG 12 HB2 ARG 12 9.167 7.593 1.568 110 2HB ARG 12 HB1 ARG 12 9.698 9.244 1.851 111 1HG ARG 12 HG2 ARG 12 7.724 8.494 3.791 112 2HG ARG 12 HG1 ARG 12 9.028 7.310 3.751 113 1HD ARG 12 HD2 ARG 12 9.514 10.273 3.914 114 2HD ARG 12 HD1 ARG 12 9.333 9.255 5.341 115 HE ARG 12 HE ARG 12 11.313 8.277 3.518 116 1HH1 ARG 12 1HH1 ARG 12 10.723 10.527 6.119 117 2HH1 ARG 12 2HH1 ARG 12 12.380 10.581 6.617 118 1HH2 ARG 12 1HH2 ARG 12 13.495 8.347 4.171 119 2HH2 ARG 12 2HH2 ARG 12 13.955 9.344 5.511 120 H ASN 13 HN ASN 13 6.814 11.354 1.818 121 HA ASN 13 HA ASN 13 7.335 12.598 -0.670 122 1HB ASN 13 HB2 ASN 13 5.560 13.406 0.681 123 2HB ASN 13 HB1 ASN 13 6.640 13.684 2.018 124 1HD2 ASN 13 1HD2 ASN 13 5.429 14.870 -0.979 125 2HD2 ASN 13 2HD2 ASN 13 6.126 16.446 -0.879 126 H GLU 14 HN GLU 14 8.444 14.795 -0.584 127 HA GLU 14 HA GLU 14 11.179 14.427 -0.598 128 1HB GLU 14 HB2 GLU 14 10.285 16.149 -1.925 129 2HB GLU 14 HB1 GLU 14 9.440 16.872 -0.561 130 1HG GLU 14 HG2 GLU 14 11.329 18.234 -1.240 131 2HG GLU 14 HG1 GLU 14 11.578 17.587 0.382 132 H ASN 15 HN ASN 15 9.179 15.097 2.088 133 HA ASN 15 HA ASN 15 11.571 15.713 3.691 134 1HB ASN 15 HB2 ASN 15 10.120 17.661 3.592 135 2HB ASN 15 HB1 ASN 15 8.743 16.700 4.115 136 1HD2 ASN 15 1HD2 ASN 15 8.385 16.435 6.232 137 2HD2 ASN 15 2HD2 ASN 15 9.422 17.011 7.488 138 H ASN 16 HN ASN 16 8.286 14.963 4.764 139 HA ASN 16 HA ASN 16 9.040 12.302 5.605 140 1HB ASN 16 HB2 ASN 16 9.329 14.489 7.395 141 2HB ASN 16 HB1 ASN 16 7.994 13.494 7.961 142 1HD2 ASN 16 1HD2 ASN 16 11.393 13.526 7.145 143 2HD2 ASN 16 2HD2 ASN 16 11.818 12.111 8.041 144 H GLU 17 HN GLU 17 6.905 13.975 4.100 145 HA GLU 17 HA GLU 17 4.521 12.937 5.458 146 1HB GLU 17 HB2 GLU 17 4.715 14.844 3.115 147 2HB GLU 17 HB1 GLU 17 3.246 14.402 3.974 148 1HG GLU 17 HG2 GLU 17 3.597 16.264 5.141 149 2HG GLU 17 HG1 GLU 17 4.814 15.319 6.000 150 H ILE 18 HN ILE 18 2.877 11.865 4.059 151 HA ILE 18 HA ILE 18 4.086 10.572 1.714 152 HB ILE 18 HB ILE 18 2.723 9.196 4.005 153 1HG1 ILE 18 2HG1 ILE 18 4.852 7.714 3.584 154 2HG1 ILE 18 1HG1 ILE 18 5.441 9.168 2.788 155 1HG2 ILE 18 1HG2 ILE 18 3.339 7.181 2.285 156 2HG2 ILE 18 2HG2 ILE 18 2.793 8.440 1.178 157 3HG2 ILE 18 3HG2 ILE 18 1.733 7.885 2.473 158 1HD1 ILE 18 1HD1 ILE 18 6.227 9.580 4.861 159 2HD1 ILE 18 2HD1 ILE 18 4.965 8.632 5.648 160 3HD1 ILE 18 3HD1 ILE 18 4.614 10.260 5.068 161 H PHE 19 HN PHE 19 2.750 10.191 0.024 162 HA PHE 19 HA PHE 19 0.106 11.401 0.194 163 1HB PHE 19 HB2 PHE 19 0.540 12.142 -1.871 164 2HB PHE 19 HB1 PHE 19 2.132 11.407 -1.758 165 HD1 PHE 19 HD1 PHE 19 2.741 9.713 -3.222 166 HD2 PHE 19 HD2 PHE 19 -1.377 10.671 -2.735 167 HE1 PHE 19 HE1 PHE 19 2.173 8.204 -5.082 168 HE2 PHE 19 HE2 PHE 19 -1.952 9.165 -4.594 169 HZ PHE 19 HZ PHE 19 -0.176 7.929 -5.769 170 H ILE 20 HN ILE 20 -1.549 10.154 0.659 171 HA ILE 20 HA ILE 20 -1.627 7.422 -0.451 172 HB ILE 20 HB ILE 20 -3.349 7.707 1.863 173 1HG1 ILE 20 2HG1 ILE 20 -1.194 7.526 3.414 174 2HG1 ILE 20 1HG1 ILE 20 -0.500 8.553 2.165 175 1HG2 ILE 20 1HG2 ILE 20 -0.987 5.890 1.611 176 2HG2 ILE 20 2HG2 ILE 20 -2.442 5.649 0.645 177 3HG2 ILE 20 3HG2 ILE 20 -2.534 5.599 2.405 178 1HD1 ILE 20 1HD1 ILE 20 -3.000 9.157 3.724 179 2HD1 ILE 20 2HD1 ILE 20 -2.233 10.201 2.527 180 3HD1 ILE 20 3HD1 ILE 20 -1.402 9.835 4.040 181 H THR 21 HN THR 21 -3.850 6.626 -0.858 182 HA THR 21 HA THR 21 -5.414 8.627 -2.155 183 HB THR 21 HB THR 21 -6.827 6.873 -2.867 184 HG1 THR 21 HG1 THR 21 -6.842 4.844 -1.813 185 1HG2 THR 21 1HG2 THR 21 -4.413 6.673 -3.626 186 2HG2 THR 21 2HG2 THR 21 -5.429 5.240 -3.781 187 3HG2 THR 21 3HG2 THR 21 -4.274 5.362 -2.454 188 H ARG 22 HN ARG 22 -6.605 10.053 -1.064 189 HA ARG 22 HA ARG 22 -8.158 9.080 1.244 190 1HB ARG 22 HB2 ARG 22 -6.145 10.717 1.627 191 2HB ARG 22 HB1 ARG 22 -7.278 11.934 1.054 192 1HG ARG 22 HG2 ARG 22 -8.757 10.566 2.916 193 2HG ARG 22 HG1 ARG 22 -7.138 10.564 3.618 194 1HD ARG 22 HD2 ARG 22 -7.025 12.999 3.331 195 2HD ARG 22 HD1 ARG 22 -8.656 12.988 2.662 196 HE ARG 22 HE ARG 22 -8.842 11.773 5.127 197 1HH1 ARG 22 1HH1 ARG 22 -7.853 14.891 3.910 198 2HH1 ARG 22 2HH1 ARG 22 -8.326 15.740 5.344 199 1HH2 ARG 22 1HH2 ARG 22 -9.465 12.888 7.013 200 2HH2 ARG 22 2HH2 ARG 22 -9.241 14.603 7.106 201 H ARG 23 HN ARG 23 -10.216 8.990 0.654 202 HA ARG 23 HA ARG 23 -12.228 9.503 -0.286 203 1HB ARG 23 HB2 ARG 23 -11.465 12.401 -0.092 204 2HB ARG 23 HB1 ARG 23 -13.043 11.662 0.135 205 1HG ARG 23 HG2 ARG 23 -12.485 10.860 2.266 206 2HG ARG 23 HG1 ARG 23 -10.760 11.123 2.004 207 1HD ARG 23 HD2 ARG 23 -11.074 13.023 3.146 208 2HD ARG 23 HD1 ARG 23 -11.772 13.631 1.646 209 HE ARG 23 HE ARG 23 -13.844 13.586 2.625 210 1HH1 ARG 23 1HH1 ARG 23 -11.613 11.762 4.595 211 2HH1 ARG 23 2HH1 ARG 23 -12.726 11.584 5.910 212 1HH2 ARG 23 1HH2 ARG 23 -15.308 13.352 4.354 213 2HH2 ARG 23 2HH2 ARG 23 -14.823 12.485 5.773 214 H ALA 24 HN ALA 24 -9.805 9.339 -2.064 215 HA ALA 24 HA ALA 24 -9.208 9.697 -4.237 216 1HB ALA 24 HB1 ALA 24 -11.538 10.083 -5.622 217 2HB ALA 24 HB2 ALA 24 -12.096 9.261 -4.166 218 3HB ALA 24 HB3 ALA 24 -10.859 8.518 -5.179 219 H ALA 25 HN ALA 25 -9.979 11.199 -6.287 220 HA ALA 25 HA ALA 25 -9.322 13.864 -5.420 221 1HB ALA 25 HB1 ALA 25 -8.283 13.115 -7.421 222 2HB ALA 25 HB2 ALA 25 -9.434 14.369 -7.882 223 3HB ALA 25 HB3 ALA 25 -9.831 12.669 -8.138 224 H ASP 26 HN ASP 26 -12.178 12.151 -6.449 225 HA ASP 26 HA ASP 26 -13.912 14.159 -5.461 226 1HB ASP 26 HB2 ASP 26 -15.025 14.632 -7.702 227 2HB ASP 26 HB1 ASP 26 -13.471 15.411 -7.427 228 H ALA 27 HN ALA 27 -13.498 11.340 -5.190 229 HA ALA 27 HA ALA 27 -15.868 10.166 -6.450 230 1HB ALA 27 HB1 ALA 27 -13.463 9.102 -6.329 231 2HB ALA 27 HB2 ALA 27 -14.910 8.102 -6.197 232 3HB ALA 27 HB3 ALA 27 -14.024 8.567 -4.745 233 H HIS 28 HN HIS 28 -16.484 8.193 -4.629 234 HA HIS 28 HA HIS 28 -17.382 9.732 -2.281 235 1HB HIS 28 HB2 HIS 28 -19.024 8.755 -4.212 236 2HB HIS 28 HB1 HIS 28 -18.999 7.396 -3.093 237 HD1 HIS 28 HD1 HIS 28 -21.406 9.481 -3.722 238 HD2 HIS 28 HD2 HIS 28 -19.013 9.308 -0.330 239 HE1 HIS 28 HE1 HIS 28 -22.744 10.579 -1.899 240 HE2 HIS 28 HE2 HIS 28 -21.312 10.384 0.165 241 H MET 29 HN MET 29 -14.962 8.285 -2.346 242 HA MET 29 HA MET 29 -15.587 6.082 -0.489 243 1HB MET 29 HB2 MET 29 -13.561 6.257 -2.689 244 2HB MET 29 HB1 MET 29 -13.233 5.249 -1.287 245 1HG MET 29 HG2 MET 29 -15.032 3.830 -1.740 246 2HG MET 29 HG1 MET 29 -15.776 4.983 -2.845 247 1HE MET 29 HE1 MET 29 -15.641 5.034 -5.078 248 2HE MET 29 HE2 MET 29 -15.969 3.302 -5.151 249 3HE MET 29 HE3 MET 29 -14.698 4.002 -6.154 250 H ALA 30 HN ALA 30 -15.505 7.842 1.115 251 HA ALA 30 HA ALA 30 -12.907 9.011 1.652 252 1HB ALA 30 HB1 ALA 30 -14.054 10.150 3.505 253 2HB ALA 30 HB2 ALA 30 -15.519 9.238 3.141 254 3HB ALA 30 HB3 ALA 30 -14.879 10.384 1.963 255 H ASN 31 HN ASN 31 -14.834 6.344 2.760 256 HA ASN 31 HA ASN 31 -13.220 5.967 5.147 257 1HB ASN 31 HB2 ASN 31 -15.843 5.226 4.349 258 2HB ASN 31 HB1 ASN 31 -14.945 3.740 4.644 259 1HD2 ASN 31 1HD2 ASN 31 -15.485 3.041 6.580 260 2HD2 ASN 31 2HD2 ASN 31 -15.548 3.991 8.021 261 H LYS 32 HN LYS 32 -12.441 5.511 2.115 262 HA LYS 32 HA LYS 32 -11.251 2.864 2.555 263 1HB LYS 32 HB2 LYS 32 -12.769 3.817 0.376 264 2HB LYS 32 HB1 LYS 32 -11.116 3.653 -0.196 265 1HG LYS 32 HG2 LYS 32 -11.702 1.534 -0.593 266 2HG LYS 32 HG1 LYS 32 -11.428 1.317 1.137 267 1HD LYS 32 HD2 LYS 32 -13.894 1.997 1.402 268 2HD LYS 32 HD1 LYS 32 -14.023 1.676 -0.329 269 1HE LYS 32 HE2 LYS 32 -13.333 -0.234 1.887 270 2HE LYS 32 HE1 LYS 32 -14.664 -0.326 0.734 271 1HZ LYS 32 HZ1 LYS 32 -11.780 -0.758 0.199 272 2HZ LYS 32 HZ2 LYS 32 -12.929 -0.586 -1.029 273 3HZ LYS 32 HZ3 LYS 32 -13.038 -1.880 0.054 274 H LEU 33 HN LEU 33 -10.233 5.480 3.387 275 HA LEU 33 HA LEU 33 -8.182 6.468 1.815 276 1HB LEU 33 HB2 LEU 33 -9.082 7.252 4.113 277 2HB LEU 33 HB1 LEU 33 -7.882 6.170 4.785 278 HG LEU 33 HG LEU 33 -7.386 8.608 3.085 279 1HD1 LEU 33 1HD1 LEU 33 -6.933 7.897 5.957 280 2HD1 LEU 33 2HD1 LEU 33 -7.724 9.316 5.271 281 3HD1 LEU 33 3HD1 LEU 33 -5.972 9.144 5.162 282 1HD2 LEU 33 1HD2 LEU 33 -5.827 6.907 2.380 283 2HD2 LEU 33 2HD2 LEU 33 -5.430 6.531 4.056 284 3HD2 LEU 33 3HD2 LEU 33 -4.985 8.095 3.375 285 H GLU 34 HN GLU 34 -7.194 4.698 0.717 286 HA GLU 34 HA GLU 34 -5.353 3.148 2.413 287 1HB GLU 34 HB2 GLU 34 -7.378 2.098 0.895 288 2HB GLU 34 HB1 GLU 34 -6.002 1.963 -0.190 289 1HG GLU 34 HG2 GLU 34 -4.844 0.963 1.953 290 2HG GLU 34 HG1 GLU 34 -6.513 0.622 2.408 291 H PHE 35 HN PHE 35 -3.627 2.082 0.848 292 HA PHE 35 HA PHE 35 -2.484 4.266 -0.763 293 1HB PHE 35 HB2 PHE 35 -0.357 2.630 0.042 294 2HB PHE 35 HB1 PHE 35 -0.735 4.238 0.637 295 HD1 PHE 35 HD1 PHE 35 -1.966 0.751 1.190 296 HD2 PHE 35 HD2 PHE 35 -0.757 4.447 2.916 297 HE1 PHE 35 HE1 PHE 35 -2.333 -0.182 3.437 298 HE2 PHE 35 HE2 PHE 35 -1.122 3.521 5.165 299 HZ PHE 35 HZ PHE 35 -1.911 1.203 5.426 300 HA PRO 36 HA PRO 36 -1.749 1.828 -4.378 301 1HB PRO 36 HB2 PRO 36 1.063 1.683 -4.369 302 2HB PRO 36 HB1 PRO 36 0.082 2.915 -5.164 303 1HG PRO 36 HG2 PRO 36 1.459 3.001 -2.526 304 2HG PRO 36 HG1 PRO 36 1.206 4.298 -3.708 305 1HD PRO 36 HD2 PRO 36 -0.241 4.186 -1.475 306 2HD PRO 36 HD1 PRO 36 -0.986 4.668 -3.013 307 H GLY 37 HN GLY 37 -0.718 -0.270 -5.130 308 1HA GLY 37 HA2 GLY 37 0.383 -2.323 -4.519 309 2HA GLY 37 HA1 GLY 37 0.008 -1.973 -2.866 310 H GLY 38 HN GLY 38 -1.762 -2.352 -5.843 311 1HA GLY 38 HA2 GLY 38 -3.483 -4.348 -4.542 312 2HA GLY 38 HA1 GLY 38 -4.197 -3.030 -5.462 313 H LYS 39 HN LYS 39 -2.821 -6.157 -5.595 314 HA LYS 39 HA LYS 39 -3.553 -7.463 -7.550 315 1HB LYS 39 HB2 LYS 39 -3.878 -5.556 -9.042 316 2HB LYS 39 HB1 LYS 39 -2.144 -5.262 -9.068 317 1HG LYS 39 HG2 LYS 39 -1.819 -6.773 -10.666 318 2HG LYS 39 HG1 LYS 39 -2.797 -7.980 -9.830 319 1HD LYS 39 HD2 LYS 39 -4.319 -5.776 -11.037 320 2HD LYS 39 HD1 LYS 39 -3.471 -6.810 -12.188 321 1HE LYS 39 HE2 LYS 39 -5.666 -7.704 -11.864 322 2HE LYS 39 HE1 LYS 39 -4.514 -8.783 -11.079 323 1HZ LYS 39 HZ1 LYS 39 -5.124 -7.165 -9.062 324 2HZ LYS 39 HZ2 LYS 39 -5.960 -8.599 -9.385 325 3HZ LYS 39 HZ3 LYS 39 -6.587 -7.118 -9.912 326 H ILE 40 HN ILE 40 -0.835 -6.406 -5.979 327 HA ILE 40 HA ILE 40 1.385 -7.368 -7.208 328 HB ILE 40 HB ILE 40 2.012 -6.618 -5.157 329 1HG1 ILE 40 2HG1 ILE 40 1.624 -9.319 -3.977 330 2HG1 ILE 40 1HG1 ILE 40 2.536 -9.248 -5.476 331 1HG2 ILE 40 1HG2 ILE 40 -0.580 -7.763 -4.258 332 2HG2 ILE 40 2HG2 ILE 40 0.061 -6.132 -4.077 333 3HG2 ILE 40 3HG2 ILE 40 0.669 -7.437 -3.057 334 1HD1 ILE 40 1HD1 ILE 40 3.207 -7.637 -3.041 335 2HD1 ILE 40 2HD1 ILE 40 4.168 -7.826 -4.501 336 3HD1 ILE 40 3HD1 ILE 40 3.918 -9.199 -3.429 337 H GLU 41 HN GLU 41 -0.948 -9.233 -5.454 338 HA GLU 41 HA GLU 41 0.011 -11.708 -5.284 339 1HB GLU 41 HB2 GLU 41 -2.383 -12.478 -5.917 340 2HB GLU 41 HB1 GLU 41 -2.142 -11.462 -4.508 341 1HG GLU 41 HG2 GLU 41 -3.498 -9.920 -5.323 342 2HG GLU 41 HG1 GLU 41 -2.550 -9.798 -6.796 343 H MET 42 HN MET 42 -2.048 -11.098 -8.124 344 HA MET 42 HA MET 42 -2.116 -12.286 -10.098 345 1HB MET 42 HB2 MET 42 0.116 -11.771 -11.395 346 2HB MET 42 HB1 MET 42 -1.022 -10.491 -11.008 347 1HG MET 42 HG2 MET 42 0.335 -9.598 -9.373 348 2HG MET 42 HG1 MET 42 1.220 -11.104 -9.140 349 1HE MET 42 HE1 MET 42 2.739 -7.670 -10.396 350 2HE MET 42 HE2 MET 42 0.997 -7.879 -10.229 351 3HE MET 42 HE3 MET 42 1.711 -7.667 -11.828 352 H GLY 43 HN GLY 43 1.353 -12.793 -10.052 353 1HA GLY 43 HA2 GLY 43 1.290 -15.450 -9.033 354 2HA GLY 43 HA1 GLY 43 1.231 -15.445 -10.782 355 H GLU 44 HN GLU 44 2.943 -12.940 -9.170 356 HA GLU 44 HA GLU 44 5.431 -13.893 -10.337 357 1HB GLU 44 HB2 GLU 44 4.298 -11.354 -9.866 358 2HB GLU 44 HB1 GLU 44 5.722 -11.451 -8.842 359 1HG GLU 44 HG2 GLU 44 7.136 -11.376 -10.577 360 2HG GLU 44 HG1 GLU 44 6.115 -12.396 -11.587 361 H THR 45 HN THR 45 7.213 -12.612 -8.468 362 HA THR 45 HA THR 45 7.082 -14.599 -6.317 363 HB THR 45 HB THR 45 9.532 -13.035 -6.439 364 HG1 THR 45 HG1 THR 45 10.210 -13.880 -8.460 365 1HG2 THR 45 1HG2 THR 45 8.757 -15.880 -6.369 366 2HG2 THR 45 2HG2 THR 45 9.952 -14.998 -5.418 367 3HG2 THR 45 3HG2 THR 45 10.329 -15.491 -7.070 368 HA PRO 46 HA PRO 46 6.088 -11.838 -3.033 369 1HB PRO 46 HB2 PRO 46 8.458 -12.206 -1.498 370 2HB PRO 46 HB1 PRO 46 6.901 -13.004 -1.277 371 1HG PRO 46 HG2 PRO 46 9.334 -13.966 -2.672 372 2HG PRO 46 HG1 PRO 46 8.083 -14.888 -1.819 373 1HD PRO 46 HD2 PRO 46 8.215 -14.887 -4.485 374 2HD PRO 46 HD1 PRO 46 6.648 -14.871 -3.651 375 H GLU 47 HN GLU 47 9.195 -11.642 -4.623 376 HA GLU 47 HA GLU 47 9.562 -8.894 -3.703 377 1HB GLU 47 HB2 GLU 47 11.331 -11.035 -4.322 378 2HB GLU 47 HB1 GLU 47 11.662 -9.722 -5.443 379 1HG GLU 47 HG2 GLU 47 11.453 -9.246 -2.494 380 2HG GLU 47 HG1 GLU 47 12.955 -9.784 -3.245 381 H GLN 48 HN GLN 48 9.485 -10.721 -6.795 382 HA GLN 48 HA GLN 48 9.484 -8.275 -8.319 383 1HB GLN 48 HB2 GLN 48 8.992 -11.109 -9.246 384 2HB GLN 48 HB1 GLN 48 9.340 -9.724 -10.273 385 1HG GLN 48 HG2 GLN 48 11.559 -9.597 -9.546 386 2HG GLN 48 HG1 GLN 48 11.249 -10.621 -8.144 387 1HE2 GLN 48 1HE2 GLN 48 10.577 -10.936 -11.616 388 2HE2 GLN 48 2HE2 GLN 48 11.348 -12.471 -11.800 389 H ALA 49 HN ALA 49 7.066 -9.948 -6.701 390 HA ALA 49 HA ALA 49 4.937 -9.712 -8.549 391 1HB ALA 49 HB1 ALA 49 4.637 -9.687 -5.559 392 2HB ALA 49 HB2 ALA 49 5.005 -11.150 -6.471 393 3HB ALA 49 HB3 ALA 49 3.503 -10.283 -6.771 394 H VAL 50 HN VAL 50 5.708 -7.708 -5.687 395 HA VAL 50 HA VAL 50 3.837 -5.694 -6.529 396 HB VAL 50 HB VAL 50 4.026 -5.902 -4.187 397 1HG1 VAL 50 1HG1 VAL 50 6.078 -6.998 -3.859 398 2HG1 VAL 50 2HG1 VAL 50 6.241 -5.447 -3.035 399 3HG1 VAL 50 3HG1 VAL 50 6.991 -5.691 -4.613 400 1HG2 VAL 50 1HG2 VAL 50 5.669 -3.505 -4.214 401 2HG2 VAL 50 2HG2 VAL 50 3.973 -3.708 -3.781 402 3HG2 VAL 50 3HG2 VAL 50 4.432 -3.496 -5.471 403 H VAL 51 HN VAL 51 7.342 -6.109 -6.643 404 HA VAL 51 HA VAL 51 8.144 -3.539 -7.230 405 HB VAL 51 HB VAL 51 9.204 -6.133 -8.360 406 1HG1 VAL 51 1HG1 VAL 51 9.937 -3.359 -8.953 407 2HG1 VAL 51 2HG1 VAL 51 10.290 -4.841 -9.841 408 3HG1 VAL 51 3HG1 VAL 51 11.292 -4.378 -8.465 409 1HG2 VAL 51 1HG2 VAL 51 10.567 -4.436 -6.316 410 2HG2 VAL 51 2HG2 VAL 51 10.693 -6.172 -6.600 411 3HG2 VAL 51 3HG2 VAL 51 9.253 -5.507 -5.828 412 H ARG 52 HN ARG 52 6.577 -5.885 -9.311 413 HA ARG 52 HA ARG 52 6.848 -4.263 -11.663 414 1HB ARG 52 HB2 ARG 52 5.952 -6.934 -11.044 415 2HB ARG 52 HB1 ARG 52 4.777 -6.125 -12.072 416 1HG ARG 52 HG2 ARG 52 6.057 -6.815 -13.760 417 2HG ARG 52 HG1 ARG 52 7.132 -5.492 -13.300 418 1HD ARG 52 HD2 ARG 52 8.072 -7.295 -11.623 419 2HD ARG 52 HD1 ARG 52 7.383 -8.418 -12.796 420 HE ARG 52 HE ARG 52 9.161 -7.964 -14.137 421 1HH1 ARG 52 1HH1 ARG 52 8.676 -5.220 -12.035 422 2HH1 ARG 52 2HH1 ARG 52 10.050 -4.357 -12.638 423 1HH2 ARG 52 1HH2 ARG 52 10.970 -6.830 -14.931 424 2HH2 ARG 52 2HH2 ARG 52 11.352 -5.271 -14.282 425 H GLU 53 HN GLU 53 4.436 -4.818 -9.195 426 HA GLU 53 HA GLU 53 2.375 -3.338 -10.535 427 1HB GLU 53 HB2 GLU 53 2.677 -4.446 -7.753 428 2HB GLU 53 HB1 GLU 53 1.306 -3.440 -8.197 429 1HG GLU 53 HG2 GLU 53 2.068 -6.108 -9.350 430 2HG GLU 53 HG1 GLU 53 0.650 -5.719 -8.379 431 H LEU 54 HN LEU 54 5.052 -2.571 -8.506 432 HA LEU 54 HA LEU 54 4.215 -0.234 -7.259 433 1HB LEU 54 HB2 LEU 54 6.632 -1.613 -7.626 434 2HB LEU 54 HB1 LEU 54 6.930 0.011 -8.214 435 HG LEU 54 HG LEU 54 5.845 0.728 -5.942 436 1HD1 LEU 54 1HD1 LEU 54 6.713 -1.044 -4.223 437 2HD1 LEU 54 2HD1 LEU 54 6.451 -2.160 -5.564 438 3HD1 LEU 54 3HD1 LEU 54 5.109 -1.196 -4.943 439 1HD2 LEU 54 1HD2 LEU 54 8.263 0.138 -4.926 440 2HD2 LEU 54 2HD2 LEU 54 7.978 1.451 -6.070 441 3HD2 LEU 54 3HD2 LEU 54 8.585 -0.102 -6.644 442 H GLN 55 HN GLN 55 5.575 -0.709 -10.492 443 HA GLN 55 HA GLN 55 5.608 2.028 -11.211 444 1HB GLN 55 HB2 GLN 55 6.178 -0.506 -12.460 445 2HB GLN 55 HB1 GLN 55 5.230 0.494 -13.553 446 1HG GLN 55 HG2 GLN 55 7.528 0.890 -14.001 447 2HG GLN 55 HG1 GLN 55 6.878 2.324 -13.206 448 1HE2 GLN 55 1HE2 GLN 55 8.114 -0.797 -12.047 449 2HE2 GLN 55 2HE2 GLN 55 9.269 -0.126 -10.952 450 H GLU 56 HN GLU 56 3.180 -0.474 -11.318 451 HA GLU 56 HA GLU 56 1.320 0.997 -12.932 452 1HB GLU 56 HB2 GLU 56 1.564 -1.606 -12.392 453 2HB GLU 56 HB1 GLU 56 0.397 -1.194 -11.149 454 1HG GLU 56 HG2 GLU 56 -0.665 0.013 -13.356 455 2HG GLU 56 HG1 GLU 56 0.058 -1.445 -14.033 456 H GLU 57 HN GLU 57 2.012 0.720 -9.526 457 HA GLU 57 HA GLU 57 -0.423 2.241 -8.916 458 1HB GLU 57 HB2 GLU 57 1.328 0.505 -7.189 459 2HB GLU 57 HB1 GLU 57 0.072 1.545 -6.534 460 1HG GLU 57 HG2 GLU 57 -1.468 0.019 -6.948 461 2HG GLU 57 HG1 GLU 57 -1.025 -0.017 -8.653 462 H VAL 58 HN VAL 58 2.622 2.969 -9.661 463 HA VAL 58 HA VAL 58 2.647 5.281 -7.851 464 HB VAL 58 HB VAL 58 5.166 3.793 -8.606 465 1HG1 VAL 58 1HG1 VAL 58 6.136 5.669 -7.906 466 2HG1 VAL 58 2HG1 VAL 58 5.554 5.282 -6.288 467 3HG1 VAL 58 3HG1 VAL 58 4.602 6.327 -7.340 468 1HG2 VAL 58 1HG2 VAL 58 3.495 2.559 -7.066 469 2HG2 VAL 58 2HG2 VAL 58 3.967 3.756 -5.860 470 3HG2 VAL 58 3HG2 VAL 58 5.179 2.684 -6.560 471 H GLY 59 HN GLY 59 3.922 3.801 -10.792 472 1HA GLY 59 HA2 GLY 59 4.464 4.664 -12.834 473 2HA GLY 59 HA1 GLY 59 3.216 5.841 -12.491 474 H ILE 60 HN ILE 60 5.906 5.872 -10.323 475 HA ILE 60 HA ILE 60 7.095 8.087 -11.847 476 HB ILE 60 HB ILE 60 7.567 8.598 -9.119 477 1HG1 ILE 60 2HG1 ILE 60 4.614 8.634 -9.452 478 2HG1 ILE 60 1HG1 ILE 60 5.375 7.115 -9.010 479 1HG2 ILE 60 1HG2 ILE 60 5.777 9.963 -11.114 480 2HG2 ILE 60 2HG2 ILE 60 7.488 10.282 -10.836 481 3HG2 ILE 60 3HG2 ILE 60 6.306 10.667 -9.586 482 1HD1 ILE 60 1HD1 ILE 60 5.585 9.702 -7.499 483 2HD1 ILE 60 2HD1 ILE 60 6.400 8.198 -7.070 484 3HD1 ILE 60 3HD1 ILE 60 4.639 8.288 -7.038 485 H THR 61 HN THR 61 9.184 8.698 -10.195 486 HA THR 61 HA THR 61 10.728 6.183 -10.129 487 HB THR 61 HB THR 61 11.797 7.401 -11.766 488 HG1 THR 61 HG1 THR 61 13.207 7.095 -9.888 489 1HG2 THR 61 1HG2 THR 61 10.830 9.814 -10.349 490 2HG2 THR 61 2HG2 THR 61 10.700 9.376 -12.052 491 3HG2 THR 61 3HG2 THR 61 12.241 9.940 -11.399 492 HA PRO 62 HA PRO 62 11.119 7.756 -5.883 493 1HB PRO 62 HB2 PRO 62 9.371 6.184 -4.698 494 2HB PRO 62 HB1 PRO 62 8.782 7.375 -5.866 495 1HG PRO 62 HG2 PRO 62 9.010 4.432 -6.130 496 2HG PRO 62 HG1 PRO 62 7.924 5.553 -6.968 497 1HD PRO 62 HD2 PRO 62 10.521 4.523 -7.835 498 2HD PRO 62 HD1 PRO 62 9.322 5.457 -8.753 499 H GLN 63 HN GLN 63 12.595 7.094 -4.358 500 HA GLN 63 HA GLN 63 13.744 4.445 -4.584 501 1HB GLN 63 HB2 GLN 63 14.120 6.470 -2.354 502 2HB GLN 63 HB1 GLN 63 15.150 5.090 -2.705 503 1HG GLN 63 HG2 GLN 63 15.911 6.096 -4.740 504 2HG GLN 63 HG1 GLN 63 14.756 7.417 -4.568 505 1HE2 GLN 63 1HE2 GLN 63 17.199 5.844 -2.521 506 2HE2 GLN 63 2HE2 GLN 63 17.952 7.308 -2.002 507 H HIS 64 HN HIS 64 11.738 3.419 -4.425 508 HA HIS 64 HA HIS 64 10.483 3.402 -1.773 509 1HB HIS 64 HB2 HIS 64 8.914 4.164 -3.336 510 2HB HIS 64 HB1 HIS 64 9.515 3.116 -4.572 511 HD1 HIS 64 HD1 HIS 64 6.752 2.871 -4.701 512 HD2 HIS 64 HD2 HIS 64 8.727 0.890 -1.631 513 HE1 HIS 64 HE1 HIS 64 5.159 1.098 -3.906 514 HE2 HIS 64 HE2 HIS 64 6.412 -0.141 -2.109 515 H PHE 65 HN PHE 65 10.605 1.627 -0.601 516 HA PHE 65 HA PHE 65 10.478 -0.991 -1.638 517 1HB PHE 65 HB2 PHE 65 12.910 0.172 -2.029 518 2HB PHE 65 HB1 PHE 65 13.145 -0.605 -0.475 519 HD1 PHE 65 HD1 PHE 65 14.494 -2.460 -0.887 520 HD2 PHE 65 HD2 PHE 65 11.164 -1.692 -3.422 521 HE1 PHE 65 HE1 PHE 65 14.880 -4.602 -2.038 522 HE2 PHE 65 HE2 PHE 65 11.542 -3.830 -4.577 523 HZ PHE 65 HZ PHE 65 13.402 -5.288 -3.886 524 H SER 66 HN SER 66 12.259 -2.061 0.437 525 HA SER 66 HA SER 66 12.058 -2.911 2.534 526 1HB SER 66 HB2 SER 66 12.759 -0.311 2.727 527 2HB SER 66 HB1 SER 66 11.272 -0.296 3.675 528 HG SER 66 HG SER 66 12.249 -1.369 5.196 529 H LEU 67 HN LEU 67 10.608 -2.630 4.679 530 HA LEU 67 HA LEU 67 7.800 -2.358 3.971 531 1HB LEU 67 HB2 LEU 67 7.157 -4.523 4.646 532 2HB LEU 67 HB1 LEU 67 8.508 -4.736 3.550 533 HG LEU 67 HG LEU 67 9.746 -4.643 6.011 534 1HD1 LEU 67 1HD1 LEU 67 8.365 -6.489 7.206 535 2HD1 LEU 67 2HD1 LEU 67 7.015 -5.819 6.290 536 3HD1 LEU 67 3HD1 LEU 67 7.917 -4.795 7.407 537 1HD2 LEU 67 1HD2 LEU 67 8.986 -6.731 4.062 538 2HD2 LEU 67 2HD2 LEU 67 9.518 -7.284 5.649 539 3HD2 LEU 67 3HD2 LEU 67 10.575 -6.267 4.671 540 H PHE 68 HN PHE 68 6.654 -1.440 5.547 541 HA PHE 68 HA PHE 68 7.967 -0.741 7.998 542 1HB PHE 68 HB2 PHE 68 6.490 0.944 8.011 543 2HB PHE 68 HB1 PHE 68 5.891 0.338 6.474 544 HD1 PHE 68 HD1 PHE 68 5.268 0.608 10.054 545 HD2 PHE 68 HD2 PHE 68 3.839 -0.962 6.368 546 HE1 PHE 68 HE1 PHE 68 3.063 0.226 11.076 547 HE2 PHE 68 HE2 PHE 68 1.630 -1.346 7.382 548 HZ PHE 68 HZ PHE 68 1.237 -0.747 9.737 549 H GLU 69 HN GLU 69 5.225 -2.774 7.076 550 HA GLU 69 HA GLU 69 5.717 -4.692 9.090 551 1HB GLU 69 HB2 GLU 69 3.887 -2.484 9.747 552 2HB GLU 69 HB1 GLU 69 3.204 -4.083 10.005 553 1HG GLU 69 HG2 GLU 69 5.447 -4.536 11.247 554 2HG GLU 69 HG1 GLU 69 5.525 -2.776 11.339 555 H LYS 70 HN LYS 70 4.847 -6.583 8.422 556 HA LYS 70 HA LYS 70 2.751 -6.427 6.350 557 1HB LYS 70 HB2 LYS 70 3.655 -8.732 5.694 558 2HB LYS 70 HB1 LYS 70 4.651 -7.335 5.310 559 1HG LYS 70 HG2 LYS 70 6.006 -7.776 7.313 560 2HG LYS 70 HG1 LYS 70 5.027 -9.208 7.639 561 1HD LYS 70 HD2 LYS 70 7.101 -9.818 6.518 562 2HD LYS 70 HD1 LYS 70 5.711 -10.157 5.485 563 1HE LYS 70 HE2 LYS 70 7.026 -7.508 5.220 564 2HE LYS 70 HE1 LYS 70 7.875 -8.915 4.580 565 1HZ LYS 70 HZ1 LYS 70 5.065 -8.702 3.878 566 2HZ LYS 70 HZ2 LYS 70 6.386 -9.171 2.932 567 3HZ LYS 70 HZ3 LYS 70 6.078 -7.529 3.198 568 H LEU 71 HN LEU 71 0.873 -7.470 6.680 569 HA LEU 71 HA LEU 71 0.662 -9.173 9.071 570 1HB LEU 71 HB2 LEU 71 -0.663 -7.204 9.337 571 2HB LEU 71 HB1 LEU 71 -1.348 -7.371 7.733 572 HG LEU 71 HG LEU 71 -2.289 -9.628 8.687 573 1HD1 LEU 71 1HD1 LEU 71 -1.091 -9.528 10.805 574 2HD1 LEU 71 2HD1 LEU 71 -2.834 -9.479 11.063 575 3HD1 LEU 71 3HD1 LEU 71 -1.883 -8.000 11.192 576 1HD2 LEU 71 1HD2 LEU 71 -3.737 -7.346 9.855 577 2HD2 LEU 71 2HD2 LEU 71 -4.286 -8.587 8.727 578 3HD2 LEU 71 3HD2 LEU 71 -3.354 -7.210 8.139 579 H GLU 72 HN GLU 72 -0.199 -11.188 8.901 580 HA GLU 72 HA GLU 72 -1.221 -12.018 6.275 581 1HB GLU 72 HB2 GLU 72 0.913 -12.951 6.230 582 2HB GLU 72 HB1 GLU 72 0.923 -13.265 7.960 583 1HG GLU 72 HG2 GLU 72 -0.387 -15.173 7.743 584 2HG GLU 72 HG1 GLU 72 -0.945 -14.723 6.133 585 H TYR 73 HN TYR 73 -3.301 -12.466 6.585 586 HA TYR 73 HA TYR 73 -4.030 -14.305 8.742 587 1HB TYR 73 HB2 TYR 73 -4.507 -11.968 9.502 588 2HB TYR 73 HB1 TYR 73 -5.609 -11.796 8.139 589 HD1 TYR 73 HD1 TYR 73 -7.851 -12.260 8.466 590 HD2 TYR 73 HD2 TYR 73 -4.988 -14.042 11.059 591 HE1 TYR 73 HE1 TYR 73 -9.673 -13.213 9.814 592 HE2 TYR 73 HE2 TYR 73 -6.802 -15.001 12.414 593 HH TYR 73 HH TYR 73 -9.493 -14.167 12.741 594 H GLU 74 HN GLU 74 -5.868 -15.585 8.301 595 HA GLU 74 HA GLU 74 -6.802 -15.434 5.511 596 1HB GLU 74 HB2 GLU 74 -7.141 -17.985 5.816 597 2HB GLU 74 HB1 GLU 74 -5.527 -17.371 5.490 598 1HG GLU 74 HG2 GLU 74 -5.205 -17.386 8.019 599 2HG GLU 74 HG1 GLU 74 -6.663 -18.374 8.075 600 H PHE 75 HN PHE 75 -8.916 -15.680 5.097 601 HA PHE 75 HA PHE 75 -10.742 -15.451 7.340 602 1HB PHE 75 HB2 PHE 75 -10.716 -14.639 4.558 603 2HB PHE 75 HB1 PHE 75 -12.217 -15.467 4.957 604 HD1 PHE 75 HD1 PHE 75 -13.904 -13.963 5.325 605 HD2 PHE 75 HD2 PHE 75 -10.011 -13.090 6.805 606 HE1 PHE 75 HE1 PHE 75 -14.763 -11.903 6.356 607 HE2 PHE 75 HE2 PHE 75 -10.864 -11.028 7.842 608 HZ PHE 75 HZ PHE 75 -13.243 -10.432 7.618 609 HA PRO 76 HA PRO 76 -12.452 -19.503 7.499 610 1HB PRO 76 HB2 PRO 76 -15.131 -19.037 6.840 611 2HB PRO 76 HB1 PRO 76 -14.431 -18.944 8.458 612 1HG PRO 76 HG2 PRO 76 -15.015 -16.760 6.515 613 2HG PRO 76 HG1 PRO 76 -15.154 -16.761 8.283 614 1HD PRO 76 HD2 PRO 76 -13.115 -15.546 7.048 615 2HD PRO 76 HD1 PRO 76 -12.876 -16.402 8.584 616 H ASP 77 HN ASP 77 -11.220 -20.036 5.593 617 HA ASP 77 HA ASP 77 -11.296 -21.512 3.781 618 1HB ASP 77 HB2 ASP 77 -13.904 -21.383 4.014 619 2HB ASP 77 HB1 ASP 77 -13.776 -20.240 2.681 620 H ARG 78 HN ARG 78 -10.619 -18.504 4.140 621 HA ARG 78 HA ARG 78 -9.806 -18.127 1.351 622 1HB ARG 78 HB2 ARG 78 -11.823 -16.734 1.798 623 2HB ARG 78 HB1 ARG 78 -10.936 -15.917 3.076 624 1HG ARG 78 HG2 ARG 78 -9.810 -14.625 1.637 625 2HG ARG 78 HG1 ARG 78 -9.563 -15.943 0.491 626 1HD ARG 78 HD2 ARG 78 -10.930 -14.454 -0.665 627 2HD ARG 78 HD1 ARG 78 -12.054 -15.667 -0.058 628 HE ARG 78 HE ARG 78 -11.753 -12.921 0.922 629 1HH1 ARG 78 1HH1 ARG 78 -13.456 -15.975 1.024 630 2HH1 ARG 78 2HH1 ARG 78 -14.804 -15.330 1.895 631 1HH2 ARG 78 1HH2 ARG 78 -13.526 -12.084 2.068 632 2HH2 ARG 78 2HH2 ARG 78 -14.845 -13.126 2.487 633 H HIS 79 HN HIS 79 -7.873 -16.929 1.080 634 HA HIS 79 HA HIS 79 -6.346 -16.499 3.563 635 1HB HIS 79 HB2 HIS 79 -5.801 -18.336 1.478 636 2HB HIS 79 HB1 HIS 79 -4.597 -17.058 1.355 637 HD1 HIS 79 HD1 HIS 79 -3.574 -16.475 3.952 638 HD2 HIS 79 HD2 HIS 79 -4.943 -20.305 3.100 639 HE1 HIS 79 HE1 HIS 79 -2.494 -17.972 5.661 640 HE2 HIS 79 HE2 HIS 79 -3.268 -20.295 5.070 641 H ILE 80 HN ILE 80 -6.544 -14.291 3.687 642 HA ILE 80 HA ILE 80 -5.816 -12.711 1.339 643 HB ILE 80 HB ILE 80 -7.882 -11.995 2.282 644 1HG1 ILE 80 2HG1 ILE 80 -6.088 -9.977 3.529 645 2HG1 ILE 80 1HG1 ILE 80 -5.888 -10.305 1.812 646 1HG2 ILE 80 1HG2 ILE 80 -6.448 -11.944 4.930 647 2HG2 ILE 80 2HG2 ILE 80 -7.787 -12.990 4.455 648 3HG2 ILE 80 3HG2 ILE 80 -8.048 -11.259 4.657 649 1HD1 ILE 80 1HD1 ILE 80 -8.612 -9.741 2.863 650 2HD1 ILE 80 2HD1 ILE 80 -7.929 -9.424 1.269 651 3HD1 ILE 80 3HD1 ILE 80 -7.480 -8.408 2.639 652 H THR 81 HN THR 81 -3.728 -12.240 1.190 653 HA THR 81 HA THR 81 -2.153 -11.884 3.636 654 HB THR 81 HB THR 81 -0.508 -11.705 1.327 655 HG1 THR 81 HG1 THR 81 -1.028 -13.759 0.393 656 1HG2 THR 81 1HG2 THR 81 0.074 -12.701 3.538 657 2HG2 THR 81 2HG2 THR 81 0.547 -13.666 2.139 658 3HG2 THR 81 3HG2 THR 81 -0.875 -14.115 3.081 659 H LEU 82 HN LEU 82 -1.377 -9.935 4.236 660 HA LEU 82 HA LEU 82 -1.605 -7.730 2.298 661 1HB LEU 82 HB2 LEU 82 -3.035 -8.046 4.698 662 2HB LEU 82 HB1 LEU 82 -1.831 -6.818 5.026 663 HG LEU 82 HG LEU 82 -3.609 -5.539 4.321 664 1HD1 LEU 82 1HD1 LEU 82 -3.048 -4.566 2.278 665 2HD1 LEU 82 2HD1 LEU 82 -2.457 -6.088 1.613 666 3HD1 LEU 82 3HD1 LEU 82 -1.534 -5.256 2.863 667 1HD2 LEU 82 1HD2 LEU 82 -5.198 -6.133 2.623 668 2HD2 LEU 82 2HD2 LEU 82 -5.027 -7.481 3.748 669 3HD2 LEU 82 3HD2 LEU 82 -4.244 -7.545 2.169 670 H TRP 83 HN TRP 83 0.359 -7.013 1.807 671 HA TRP 83 HA TRP 83 2.422 -6.995 3.915 672 1HB TRP 83 HB2 TRP 83 3.056 -6.802 0.983 673 2HB TRP 83 HB1 TRP 83 4.094 -7.318 2.300 674 HD1 TRP 83 HD1 TRP 83 1.293 -9.371 3.027 675 HE1 TRP 83 HE1 TRP 83 1.388 -11.648 1.853 676 HE3 TRP 83 HE3 TRP 83 4.809 -8.302 -0.524 677 HZ2 TRP 83 HZ2 TRP 83 2.766 -12.843 -0.296 678 HZ3 TRP 83 HZ3 TRP 83 5.459 -10.073 -2.103 679 HH2 TRP 83 HH2 TRP 83 4.458 -12.296 -1.989 680 H PHE 84 HN PHE 84 3.012 -5.016 4.635 681 HA PHE 84 HA PHE 84 2.378 -2.715 2.922 682 1HB PHE 84 HB2 PHE 84 2.745 -2.837 5.920 683 2HB PHE 84 HB1 PHE 84 2.527 -1.350 5.015 684 HD1 PHE 84 HD1 PHE 84 0.777 -4.622 4.652 685 HD2 PHE 84 HD2 PHE 84 0.474 -0.503 5.709 686 HE1 PHE 84 HE1 PHE 84 -1.658 -4.851 4.836 687 HE2 PHE 84 HE2 PHE 84 -1.965 -0.735 5.891 688 HZ PHE 84 HZ PHE 84 -3.034 -2.909 5.454 689 H TRP 85 HN TRP 85 4.032 -1.846 1.880 690 HA TRP 85 HA TRP 85 6.747 -2.323 2.820 691 1HB TRP 85 HB2 TRP 85 5.705 -1.208 0.215 692 2HB TRP 85 HB1 TRP 85 7.412 -1.434 0.589 693 HD1 TRP 85 HD1 TRP 85 4.229 -3.674 0.526 694 HE1 TRP 85 HE1 TRP 85 4.904 -5.967 -0.427 695 HE3 TRP 85 HE3 TRP 85 9.232 -2.842 -0.134 696 HZ2 TRP 85 HZ2 TRP 85 7.245 -7.253 -1.337 697 HZ3 TRP 85 HZ3 TRP 85 10.618 -4.656 -1.050 698 HH2 TRP 85 HH2 TRP 85 9.644 -6.816 -1.638 699 H LEU 86 HN LEU 86 8.283 -0.675 3.141 700 HA LEU 86 HA LEU 86 7.100 1.926 3.799 701 1HB LEU 86 HB2 LEU 86 8.158 0.888 5.663 702 2HB LEU 86 HB1 LEU 86 9.610 0.559 4.736 703 HG LEU 86 HG LEU 86 10.039 3.000 4.602 704 1HD1 LEU 86 1HD1 LEU 86 8.659 4.577 5.433 705 2HD1 LEU 86 2HD1 LEU 86 8.134 3.565 6.779 706 3HD1 LEU 86 3HD1 LEU 86 7.434 3.335 5.176 707 1HD2 LEU 86 1HD2 LEU 86 10.923 3.202 6.781 708 2HD2 LEU 86 2HD2 LEU 86 10.945 1.478 6.411 709 3HD2 LEU 86 3HD2 LEU 86 9.691 2.139 7.462 710 H VAL 87 HN VAL 87 7.205 3.188 2.072 711 HA VAL 87 HA VAL 87 9.453 3.240 0.246 712 HB VAL 87 HB VAL 87 7.105 5.089 0.383 713 1HG1 VAL 87 1HG1 VAL 87 9.303 4.688 -1.525 714 2HG1 VAL 87 2HG1 VAL 87 8.398 6.142 -1.123 715 3HG1 VAL 87 3HG1 VAL 87 7.701 4.946 -2.214 716 1HG2 VAL 87 1HG2 VAL 87 5.857 3.280 -0.077 717 2HG2 VAL 87 2HG2 VAL 87 7.287 2.282 -0.369 718 3HG2 VAL 87 3HG2 VAL 87 6.628 3.290 -1.663 719 H GLU 88 HN GLU 88 10.908 4.967 -0.044 720 HA GLU 88 HA GLU 88 10.805 6.858 2.206 721 1HB GLU 88 HB2 GLU 88 13.343 7.029 1.845 722 2HB GLU 88 HB1 GLU 88 12.694 5.591 2.619 723 1HG GLU 88 HG2 GLU 88 12.772 4.455 0.401 724 2HG GLU 88 HG1 GLU 88 13.611 5.872 -0.229 725 H ARG 89 HN ARG 89 10.844 6.844 -1.287 726 HA ARG 89 HA ARG 89 10.729 9.720 -1.242 727 1HB ARG 89 HB2 ARG 89 12.847 8.988 -3.129 728 2HB ARG 89 HB1 ARG 89 12.740 10.352 -2.034 729 1HG ARG 89 HG2 ARG 89 13.300 7.791 -0.716 730 2HG ARG 89 HG1 ARG 89 14.527 8.318 -1.856 731 1HD ARG 89 HD2 ARG 89 14.518 9.070 0.703 732 2HD ARG 89 HD1 ARG 89 15.158 10.078 -0.592 733 HE ARG 89 HE ARG 89 12.363 10.501 -0.003 734 1HH1 ARG 89 1HH1 ARG 89 15.646 11.442 0.721 735 2HH1 ARG 89 2HH1 ARG 89 15.196 12.998 1.334 736 1HH2 ARG 89 1HH2 ARG 89 11.771 12.546 0.805 737 2HH2 ARG 89 2HH2 ARG 89 12.998 13.624 1.382 738 H TRP 90 HN TRP 90 10.504 10.672 -3.452 739 HA TRP 90 HA TRP 90 9.863 8.920 -5.620 740 1HB TRP 90 HB2 TRP 90 7.573 9.153 -5.777 741 2HB TRP 90 HB1 TRP 90 7.813 8.976 -4.048 742 HD1 TRP 90 HD1 TRP 90 7.508 11.963 -6.534 743 HE1 TRP 90 HE1 TRP 90 6.041 13.755 -5.409 744 HE3 TRP 90 HE3 TRP 90 6.719 9.656 -2.040 745 HZ2 TRP 90 HZ2 TRP 90 4.728 14.136 -2.943 746 HZ3 TRP 90 HZ3 TRP 90 5.333 10.798 -0.356 747 HH2 TRP 90 HH2 TRP 90 4.360 12.993 -0.801 748 H GLU 91 HN GLU 91 10.293 9.885 -7.535 749 HA GLU 91 HA GLU 91 10.797 12.776 -7.431 750 1HB GLU 91 HB2 GLU 91 12.198 10.615 -8.573 751 2HB GLU 91 HB1 GLU 91 11.577 11.556 -9.921 752 1HG GLU 91 HG2 GLU 91 13.788 12.300 -9.336 753 2HG GLU 91 HG1 GLU 91 12.613 13.565 -8.980 754 H GLY 92 HN GLY 92 10.237 14.081 -9.337 755 1HA GLY 92 HA2 GLY 92 8.749 14.875 -10.896 756 2HA GLY 92 HA1 GLY 92 8.338 13.204 -11.247 757 H GLU 93 HN GLU 93 6.214 12.982 -11.151 758 HA GLU 93 HA GLU 93 4.799 14.106 -8.827 759 1HB GLU 93 HB2 GLU 93 4.394 15.261 -11.097 760 2HB GLU 93 HB1 GLU 93 3.507 13.805 -11.527 761 1HG GLU 93 HG2 GLU 93 2.069 14.168 -9.531 762 2HG GLU 93 HG1 GLU 93 2.896 15.705 -9.275 763 HA PRO 94 HA PRO 94 3.664 9.805 -8.436 764 1HB PRO 94 HB2 PRO 94 1.973 10.522 -6.206 765 2HB PRO 94 HB1 PRO 94 3.522 9.679 -6.186 766 1HG PRO 94 HG2 PRO 94 3.161 12.194 -5.195 767 2HG PRO 94 HG1 PRO 94 4.702 11.594 -5.828 768 1HD PRO 94 HD2 PRO 94 2.653 13.323 -7.161 769 2HD PRO 94 HD1 PRO 94 4.425 13.459 -7.181 770 H TRP 95 HN TRP 95 2.150 8.724 -9.499 771 HA TRP 95 HA TRP 95 -0.588 9.740 -9.391 772 1HB TRP 95 HB2 TRP 95 -0.812 8.869 -11.822 773 2HB TRP 95 HB1 TRP 95 -0.114 10.455 -11.544 774 HD1 TRP 95 HD1 TRP 95 2.581 10.633 -11.837 775 HE1 TRP 95 HE1 TRP 95 4.152 9.393 -13.455 776 HE3 TRP 95 HE3 TRP 95 -0.357 6.578 -12.837 777 HZ2 TRP 95 HZ2 TRP 95 4.127 7.010 -14.971 778 HZ3 TRP 95 HZ3 TRP 95 0.484 4.869 -14.387 779 HH2 TRP 95 HH2 TRP 95 2.685 5.073 -15.423 780 H GLY 96 HN GLY 96 1.278 7.062 -10.773 781 1HA GLY 96 HA2 GLY 96 1.057 4.782 -10.540 782 2HA GLY 96 HA1 GLY 96 0.245 5.110 -9.018 783 H LYS 97 HN LYS 97 -2.070 5.954 -9.311 784 HA LYS 97 HA LYS 97 -4.186 5.773 -10.162 785 1HB LYS 97 HB2 LYS 97 -3.104 4.167 -12.474 786 2HB LYS 97 HB1 LYS 97 -4.630 5.033 -12.381 787 1HG LYS 97 HG2 LYS 97 -2.278 6.726 -11.991 788 2HG LYS 97 HG1 LYS 97 -2.367 5.958 -13.577 789 1HD LYS 97 HD2 LYS 97 -3.957 7.372 -14.231 790 2HD LYS 97 HD1 LYS 97 -4.952 6.967 -12.832 791 1HE LYS 97 HE2 LYS 97 -4.511 8.936 -11.905 792 2HE LYS 97 HE1 LYS 97 -2.778 8.627 -11.995 793 1HZ LYS 97 HZ1 LYS 97 -4.466 10.222 -13.729 794 2HZ LYS 97 HZ2 LYS 97 -3.312 9.275 -14.524 795 3HZ LYS 97 HZ3 LYS 97 -2.824 10.395 -13.354 796 H GLU 98 HN GLU 98 -3.203 4.113 -8.221 797 HA GLU 98 HA GLU 98 -3.695 1.358 -8.760 798 1HB GLU 98 HB2 GLU 98 -3.481 1.043 -6.363 799 2HB GLU 98 HB1 GLU 98 -2.224 2.133 -6.931 800 1HG GLU 98 HG2 GLU 98 -2.834 3.479 -5.278 801 2HG GLU 98 HG1 GLU 98 -4.267 3.841 -6.239 802 H GLY 99 HN GLY 99 -5.664 4.053 -7.745 803 1HA GLY 99 HA2 GLY 99 -8.079 2.788 -8.391 804 2HA GLY 99 HA1 GLY 99 -7.835 2.628 -6.660 805 H GLN 100 HN GLN 100 -6.794 4.997 -5.901 806 HA GLN 100 HA GLN 100 -8.557 7.087 -6.957 807 1HB GLN 100 HB2 GLN 100 -8.399 6.243 -4.063 808 2HB GLN 100 HB1 GLN 100 -9.125 7.749 -4.603 809 1HG GLN 100 HG2 GLN 100 -11.028 6.599 -4.668 810 2HG GLN 100 HG1 GLN 100 -10.400 5.915 -6.168 811 1HE2 GLN 100 1HE2 GLN 100 -11.433 5.280 -3.018 812 2HE2 GLN 100 2HE2 GLN 100 -11.004 3.608 -2.949 813 HA PRO 101 HA PRO 101 -4.476 9.048 -6.986 814 1HB PRO 101 HB2 PRO 101 -6.474 11.233 -7.466 815 2HB PRO 101 HB1 PRO 101 -4.904 10.971 -8.239 816 1HG PRO 101 HG2 PRO 101 -7.109 10.279 -9.508 817 2HG PRO 101 HG1 PRO 101 -5.708 9.188 -9.525 818 1HD PRO 101 HD2 PRO 101 -8.260 8.972 -8.003 819 2HD PRO 101 HD1 PRO 101 -7.232 7.691 -8.677 820 H GLY 102 HN GLY 102 -3.383 10.240 -5.456 821 1HA GLY 102 HA2 GLY 102 -4.988 11.518 -3.339 822 2HA GLY 102 HA1 GLY 102 -3.695 10.406 -2.923 823 H GLU 103 HN GLU 103 -3.603 12.862 -1.855 824 HA GLU 103 HA GLU 103 -1.547 14.280 -3.423 825 1HB GLU 103 HB2 GLU 103 -3.413 15.382 -1.310 826 2HB GLU 103 HB1 GLU 103 -2.162 16.300 -2.137 827 1HG GLU 103 HG2 GLU 103 -4.065 14.934 -3.903 828 2HG GLU 103 HG1 GLU 103 -4.755 16.203 -2.891 829 H TRP 104 HN TRP 104 0.223 15.242 -2.178 830 HA TRP 104 HA TRP 104 1.287 13.408 -0.297 831 1HB TRP 104 HB2 TRP 104 2.359 16.199 -0.470 832 2HB TRP 104 HB1 TRP 104 3.233 14.677 -0.345 833 HD1 TRP 104 HD1 TRP 104 1.738 13.328 -2.936 834 HE1 TRP 104 HE1 TRP 104 2.502 14.085 -5.274 835 HE3 TRP 104 HE3 TRP 104 3.915 17.781 -1.679 836 HZ2 TRP 104 HZ2 TRP 104 3.850 16.278 -6.432 837 HZ3 TRP 104 HZ3 TRP 104 4.919 19.148 -3.461 838 HH2 TRP 104 HH2 TRP 104 4.886 18.411 -5.789 839 H MET 105 HN MET 105 0.362 13.149 1.627 840 HA MET 105 HA MET 105 -0.169 15.554 3.242 841 1HB MET 105 HB2 MET 105 -1.797 13.885 4.468 842 2HB MET 105 HB1 MET 105 -2.310 14.751 3.028 843 1HG MET 105 HG2 MET 105 -1.564 12.691 1.728 844 2HG MET 105 HG1 MET 105 -1.505 11.878 3.292 845 1HE MET 105 HE1 MET 105 -4.636 11.075 4.418 846 2HE MET 105 HE2 MET 105 -4.730 12.803 4.760 847 3HE MET 105 HE3 MET 105 -3.191 11.955 4.915 848 H SER 106 HN SER 106 -0.027 15.168 5.618 849 HA SER 106 HA SER 106 2.454 13.890 6.232 850 1HB SER 106 HB2 SER 106 1.752 15.938 7.393 851 2HB SER 106 HB1 SER 106 0.371 15.084 8.078 852 HG SER 106 HG SER 106 2.911 15.175 8.954 853 H LEU 107 HN LEU 107 2.683 11.771 6.488 854 HA LEU 107 HA LEU 107 0.530 9.981 6.853 855 1HB LEU 107 HB2 LEU 107 2.920 9.605 5.884 856 2HB LEU 107 HB1 LEU 107 3.350 9.261 7.547 857 HG LEU 107 HG LEU 107 1.787 7.416 7.627 858 1HD1 LEU 107 1HD1 LEU 107 0.690 6.749 5.412 859 2HD1 LEU 107 2HD1 LEU 107 0.976 8.418 4.918 860 3HD1 LEU 107 3HD1 LEU 107 -0.034 8.075 6.322 861 1HD2 LEU 107 1HD2 LEU 107 2.876 5.911 6.119 862 2HD2 LEU 107 2HD2 LEU 107 4.070 7.078 6.688 863 3HD2 LEU 107 3HD2 LEU 107 3.378 7.240 5.074 864 H VAL 108 HN VAL 108 2.347 11.843 9.078 865 HA VAL 108 HA VAL 108 2.257 10.233 11.364 866 HB VAL 108 HB VAL 108 2.027 13.240 11.334 867 1HG1 VAL 108 1HG1 VAL 108 1.658 12.313 13.517 868 2HG1 VAL 108 2HG1 VAL 108 3.267 13.035 13.478 869 3HG1 VAL 108 3HG1 VAL 108 3.084 11.284 13.368 870 1HG2 VAL 108 1HG2 VAL 108 4.306 11.444 10.714 871 2HG2 VAL 108 2HG2 VAL 108 4.633 12.883 11.680 872 3HG2 VAL 108 3HG2 VAL 108 3.916 13.041 10.077 873 H GLY 109 HN GLY 109 -0.308 11.659 9.646 874 1HA GLY 109 HA2 GLY 109 -2.054 11.531 12.015 875 2HA GLY 109 HA1 GLY 109 -2.371 12.510 10.594 876 H LEU 110 HN LEU 110 -1.278 9.162 10.530 877 HA LEU 110 HA LEU 110 -3.279 8.363 8.712 878 1HB LEU 110 HB2 LEU 110 -0.981 7.281 9.326 879 2HB LEU 110 HB1 LEU 110 -1.908 6.426 10.543 880 HG LEU 110 HG LEU 110 -3.276 5.379 8.854 881 1HD1 LEU 110 1HD1 LEU 110 -1.802 7.192 6.964 882 2HD1 LEU 110 2HD1 LEU 110 -3.543 7.050 7.216 883 3HD1 LEU 110 3HD1 LEU 110 -2.657 5.746 6.425 884 1HD2 LEU 110 1HD2 LEU 110 -1.369 4.103 9.258 885 2HD2 LEU 110 2HD2 LEU 110 -0.310 5.257 8.448 886 3HD2 LEU 110 3HD2 LEU 110 -1.405 4.251 7.501 887 H ASN 111 HN ASN 111 -5.329 7.640 9.011 888 HA ASN 111 HA ASN 111 -6.175 7.152 11.784 889 1HB ASN 111 HB2 ASN 111 -7.076 9.129 9.948 890 2HB ASN 111 HB1 ASN 111 -8.398 8.004 10.235 891 1HD2 ASN 111 1HD2 ASN 111 -5.832 9.536 12.155 892 2HD2 ASN 111 2HD2 ASN 111 -6.867 10.043 13.443 893 H ALA 112 HN ALA 112 -7.254 5.376 12.243 894 HA ALA 112 HA ALA 112 -7.586 3.347 10.264 895 1HB ALA 112 HB1 ALA 112 -7.077 3.077 12.788 896 2HB ALA 112 HB2 ALA 112 -8.146 1.910 12.008 897 3HB ALA 112 HB3 ALA 112 -8.824 3.210 12.990 898 H ASP 113 HN ASP 113 -9.488 5.959 11.328 899 HA ASP 113 HA ASP 113 -12.062 4.791 10.818 900 1HB ASP 113 HB2 ASP 113 -11.351 6.855 12.332 901 2HB ASP 113 HB1 ASP 113 -11.672 7.748 10.849 902 H ASP 114 HN ASP 114 -10.003 7.169 9.136 903 HA ASP 114 HA ASP 114 -11.739 7.506 6.933 904 1HB ASP 114 HB2 ASP 114 -9.195 8.511 7.770 905 2HB ASP 114 HB1 ASP 114 -9.111 8.052 6.076 906 H PHE 115 HN PHE 115 -9.016 5.346 7.509 907 HA PHE 115 HA PHE 115 -9.029 4.304 4.825 908 1HB PHE 115 HB2 PHE 115 -7.074 3.294 5.417 909 2HB PHE 115 HB1 PHE 115 -7.151 4.374 6.811 910 HD1 PHE 115 HD1 PHE 115 -9.071 3.217 8.523 911 HD2 PHE 115 HD2 PHE 115 -6.217 1.265 6.071 912 HE1 PHE 115 HE1 PHE 115 -9.118 1.279 10.039 913 HE2 PHE 115 HE2 PHE 115 -6.253 -0.675 7.571 914 HZ PHE 115 HZ PHE 115 -7.709 -0.671 9.556 915 HA PRO 116 HA PRO 116 -11.833 0.914 5.360 916 1HB PRO 116 HB2 PRO 116 -10.570 -1.272 4.401 917 2HB PRO 116 HB1 PRO 116 -11.097 0.048 3.350 918 1HG PRO 116 HG2 PRO 116 -8.374 -0.531 4.443 919 2HG PRO 116 HG1 PRO 116 -8.838 -0.001 2.817 920 1HD PRO 116 HD2 PRO 116 -7.861 1.683 4.726 921 2HD PRO 116 HD1 PRO 116 -8.964 2.204 3.438 922 HA PRO 117 HA PRO 117 -10.818 -0.628 9.457 923 1HB PRO 117 HB2 PRO 117 -13.059 -2.224 9.706 924 2HB PRO 117 HB1 PRO 117 -13.002 -0.498 10.074 925 1HG PRO 117 HG2 PRO 117 -13.968 -1.879 7.604 926 2HG PRO 117 HG1 PRO 117 -14.663 -0.487 8.457 927 1HD PRO 117 HD2 PRO 117 -13.240 -0.176 6.210 928 2HD PRO 117 HD1 PRO 117 -13.132 0.997 7.540 929 H ALA 118 HN ALA 118 -11.215 -2.519 6.611 930 HA ALA 118 HA ALA 118 -10.879 -5.099 7.692 931 1HB ALA 118 HB1 ALA 118 -11.713 -4.564 5.403 932 2HB ALA 118 HB2 ALA 118 -10.482 -5.827 5.460 933 3HB ALA 118 HB3 ALA 118 -10.050 -4.197 4.945 934 H ASN 119 HN ASN 119 -8.649 -2.554 7.568 935 HA ASN 119 HA ASN 119 -6.454 -4.472 7.955 936 1HB ASN 119 HB2 ASN 119 -6.715 -2.481 5.885 937 2HB ASN 119 HB1 ASN 119 -5.304 -2.131 6.878 938 1HD2 ASN 119 1HD2 ASN 119 -4.564 -4.701 7.587 939 2HD2 ASN 119 2HD2 ASN 119 -4.023 -5.541 6.179 940 H GLU 120 HN GLU 120 -7.912 -3.374 10.062 941 HA GLU 120 HA GLU 120 -6.640 -1.036 11.094 942 1HB GLU 120 HB2 GLU 120 -8.898 -2.594 11.754 943 2HB GLU 120 HB1 GLU 120 -7.866 -2.577 13.176 944 1HG GLU 120 HG2 GLU 120 -7.778 -0.087 12.976 945 2HG GLU 120 HG1 GLU 120 -9.002 -0.213 11.712 946 HA PRO 121 HA PRO 121 -4.499 -4.551 13.899 947 1HB PRO 121 HB2 PRO 121 -3.814 -6.215 11.519 948 2HB PRO 121 HB1 PRO 121 -4.144 -6.712 13.183 949 1HG PRO 121 HG2 PRO 121 -5.977 -7.047 11.285 950 2HG PRO 121 HG1 PRO 121 -6.444 -6.538 12.918 951 1HD PRO 121 HD2 PRO 121 -6.264 -4.937 10.408 952 2HD PRO 121 HD1 PRO 121 -7.406 -4.795 11.759 953 H VAL 122 HN VAL 122 -3.536 -3.909 10.531 954 HA VAL 122 HA VAL 122 -0.755 -3.671 11.190 955 HB VAL 122 HB VAL 122 -2.000 -2.613 8.665 956 1HG1 VAL 122 1HG1 VAL 122 0.526 -4.092 8.586 957 2HG1 VAL 122 2HG1 VAL 122 0.578 -2.617 9.552 958 3HG1 VAL 122 3HG1 VAL 122 0.091 -2.546 7.859 959 1HG2 VAL 122 1HG2 VAL 122 -1.446 -4.978 7.783 960 2HG2 VAL 122 2HG2 VAL 122 -2.950 -4.730 8.669 961 3HG2 VAL 122 3HG2 VAL 122 -1.564 -5.461 9.475 962 H ILE 123 HN ILE 123 -3.272 -1.369 10.175 963 HA ILE 123 HA ILE 123 -1.650 0.925 10.453 964 HB ILE 123 HB ILE 123 -4.658 0.668 10.495 965 1HG1 ILE 123 2HG1 ILE 123 -3.067 0.090 8.428 966 2HG1 ILE 123 1HG1 ILE 123 -4.623 0.884 8.214 967 1HG2 ILE 123 1HG2 ILE 123 -2.930 3.125 10.238 968 2HG2 ILE 123 2HG2 ILE 123 -3.997 2.729 11.587 969 3HG2 ILE 123 3HG2 ILE 123 -4.677 3.082 9.998 970 1HD1 ILE 123 1HD1 ILE 123 -1.942 2.243 8.329 971 2HD1 ILE 123 2HD1 ILE 123 -3.500 3.052 8.136 972 3HD1 ILE 123 3HD1 ILE 123 -2.913 1.957 6.883 973 H ALA 124 HN ALA 124 -3.580 -0.905 12.709 974 HA ALA 124 HA ALA 124 -3.915 0.971 14.739 975 1HB ALA 124 HB1 ALA 124 -5.045 -1.141 14.848 976 2HB ALA 124 HB2 ALA 124 -4.010 -0.997 16.268 977 3HB ALA 124 HB3 ALA 124 -3.513 -2.013 14.915 978 H LYS 125 HN LYS 125 -1.113 -0.850 13.755 979 HA LYS 125 HA LYS 125 0.407 -0.249 16.132 980 1HB LYS 125 HB2 LYS 125 1.042 -1.548 13.499 981 2HB LYS 125 HB1 LYS 125 2.326 -1.122 14.624 982 1HG LYS 125 HG2 LYS 125 0.448 -2.465 16.173 983 2HG LYS 125 HG1 LYS 125 0.513 -3.365 14.657 984 1HD LYS 125 HD2 LYS 125 2.657 -4.035 14.991 985 2HD LYS 125 HD1 LYS 125 3.104 -2.546 15.826 986 1HE LYS 125 HE2 LYS 125 3.173 -4.065 17.551 987 2HE LYS 125 HE1 LYS 125 1.522 -3.461 17.691 988 1HZ LYS 125 HZ1 LYS 125 0.648 -5.411 16.965 989 2HZ LYS 125 HZ2 LYS 125 2.060 -6.022 17.666 990 3HZ LYS 125 HZ3 LYS 125 1.977 -5.798 15.992 991 H LEU 126 HN LEU 126 0.424 0.888 12.761 992 HA LEU 126 HA LEU 126 2.488 2.822 13.256 993 1HB LEU 126 HB2 LEU 126 1.641 1.597 11.024 994 2HB LEU 126 HB1 LEU 126 0.729 3.087 10.886 995 HG LEU 126 HG LEU 126 2.767 4.396 10.912 996 1HD1 LEU 126 1HD1 LEU 126 3.930 1.855 11.811 997 2HD1 LEU 126 2HD1 LEU 126 4.427 3.515 12.138 998 3HD1 LEU 126 3HD1 LEU 126 4.890 2.739 10.624 999 1HD2 LEU 126 1HD2 LEU 126 2.226 3.840 8.732 1000 2HD2 LEU 126 2HD2 LEU 126 2.572 2.127 8.973 1001 3HD2 LEU 126 3HD2 LEU 126 3.896 3.287 8.860 1002 H LYS 127 HN LYS 127 -0.972 2.776 13.368 1003 HA LYS 127 HA LYS 127 -1.571 5.480 13.051 1004 1HB LYS 127 HB2 LYS 127 -3.249 3.723 13.132 1005 2HB LYS 127 HB1 LYS 127 -2.905 3.434 14.825 1006 1HG LYS 127 HG2 LYS 127 -3.817 5.502 15.472 1007 2HG LYS 127 HG1 LYS 127 -3.851 6.094 13.810 1008 1HD LYS 127 HD2 LYS 127 -5.994 5.447 13.793 1009 2HD LYS 127 HD1 LYS 127 -5.366 3.803 13.674 1010 1HE LYS 127 HE2 LYS 127 -6.862 3.711 15.464 1011 2HE LYS 127 HE1 LYS 127 -5.283 3.855 16.234 1012 1HZ LYS 127 HZ1 LYS 127 -6.403 5.446 17.370 1013 2HZ LYS 127 HZ2 LYS 127 -7.471 5.785 16.103 1014 3HZ LYS 127 HZ3 LYS 127 -5.895 6.401 16.068 1015 H ARG 128 HN ARG 128 -0.635 3.639 15.910 1016 HA ARG 128 HA ARG 128 -0.841 5.837 17.712 1017 1HB ARG 128 HB2 ARG 128 -0.852 3.327 18.246 1018 2HB ARG 128 HB1 ARG 128 0.897 3.433 18.131 1019 1HG ARG 128 HG2 ARG 128 -0.460 3.746 20.404 1020 2HG ARG 128 HG1 ARG 128 1.096 4.500 20.098 1021 1HD ARG 128 HD2 ARG 128 -0.431 6.114 21.042 1022 2HD ARG 128 HD1 ARG 128 -0.080 6.541 19.369 1023 HE ARG 128 HE ARG 128 -2.456 4.952 19.688 1024 1HH1 ARG 128 1HH1 ARG 128 -1.156 8.192 19.702 1025 2HH1 ARG 128 2HH1 ARG 128 -2.674 8.936 19.326 1026 1HH2 ARG 128 1HH2 ARG 128 -4.453 5.930 19.192 1027 2HH2 ARG 128 2HH2 ARG 128 -4.545 7.652 19.036 1028 H LEU 129 HN LEU 129 1.226 5.210 15.199 1029 HA LEU 129 HA LEU 129 3.302 5.920 14.580 1030 1HB LEU 129 HB2 LEU 129 2.806 8.231 16.434 1031 2HB LEU 129 HB1 LEU 129 3.722 8.223 14.940 1032 HG LEU 129 HG LEU 129 0.868 7.516 14.680 1033 1HD1 LEU 129 1HD1 LEU 129 0.761 9.294 16.363 1034 2HD1 LEU 129 2HD1 LEU 129 0.108 9.817 14.810 1035 3HD1 LEU 129 3HD1 LEU 129 1.717 10.338 15.311 1036 1HD2 LEU 129 1HD2 LEU 129 1.089 8.993 12.713 1037 2HD2 LEU 129 2HD2 LEU 129 2.280 7.691 12.732 1038 3HD2 LEU 129 3HD2 LEU 129 2.756 9.328 13.184 1039 1HO1 MO2 130 1HO1 MO2 130 -4.877 -4.011 -10.423 1040 2HO1 MO2 130 2HO1 MO2 130 -3.571 -0.613 -8.904 1041 1HO2 MO2 130 1HO2 MO2 130 -4.252 -3.399 -11.655 1042 2HO2 MO2 130 2HO2 MO2 130 -4.017 -1.602 -7.852 1043 1H5* 8OG 131 1H5* ODG 131 -9.174 -5.577 -3.479 1044 2H5* 8OG 131 2H5* ODG 131 -8.329 -4.999 -2.070 1045 H4* 8OG 131 1H4* ODG 131 -7.802 -7.315 -1.474 1046 H3* 8OG 131 1H3* ODG 131 -8.885 -7.951 -4.013 1047 1H2* 8OG 131 1H2* ODG 131 -10.861 -8.878 -3.528 1048 2H2* 8OG 131 2H2* ODG 131 -10.103 -9.924 -2.349 1049 H1* 8OG 131 1H1* ODG 131 -10.901 -8.727 -0.671 1050 H1 8OG 131 H1 ODG 131 -16.595 -8.280 1.009 1051 H7 8OG 131 H7 ODG 131 -14.732 -6.575 -3.291 1052 1H2 8OG 131 H21 ODG 131 -13.846 -9.567 2.749 1053 2H2 8OG 131 H22 ODG 131 -15.554 -9.278 2.753 1054 H3T 8OG 131 *HO1 ODG 131 -7.978 -10.024 -3.482 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -12.137 -21.041 -1.281 2 2H MET 1 HT2 MET 1 -12.289 -22.719 -1.609 3 3H MET 1 HT3 MET 1 -12.314 -21.584 -2.897 4 HA MET 1 HA MET 1 -10.026 -21.924 -1.089 5 1HB MET 1 HB2 MET 1 -10.932 -23.928 -2.622 6 2HB MET 1 HB1 MET 1 -10.028 -23.046 -3.844 7 1HG MET 1 HG2 MET 1 -8.062 -23.122 -2.264 8 2HG MET 1 HG1 MET 1 -8.998 -24.264 -1.302 9 1HE MET 1 HE1 MET 1 -7.597 -25.980 -1.214 10 2HE MET 1 HE2 MET 1 -7.014 -27.039 -2.497 11 3HE MET 1 HE3 MET 1 -8.700 -27.119 -1.986 12 H LYS 2 HN LYS 2 -11.059 -19.464 -1.871 13 HA LYS 2 HA LYS 2 -9.492 -18.625 -4.190 14 1HB LYS 2 HB2 LYS 2 -11.992 -17.883 -3.239 15 2HB LYS 2 HB1 LYS 2 -10.964 -16.525 -2.804 16 1HG LYS 2 HG2 LYS 2 -10.645 -15.901 -4.950 17 2HG LYS 2 HG1 LYS 2 -10.676 -17.559 -5.553 18 1HD LYS 2 HD2 LYS 2 -12.922 -17.545 -5.859 19 2HD LYS 2 HD1 LYS 2 -13.214 -16.516 -4.456 20 1HE LYS 2 HE2 LYS 2 -13.735 -15.042 -6.115 21 2HE LYS 2 HE1 LYS 2 -12.008 -14.720 -5.976 22 1HZ LYS 2 HZ1 LYS 2 -11.926 -16.640 -7.761 23 2HZ LYS 2 HZ2 LYS 2 -12.157 -15.024 -8.204 24 3HZ LYS 2 HZ3 LYS 2 -13.482 -16.070 -8.105 25 H LYS 3 HN LYS 3 -7.597 -17.624 -4.012 26 HA LYS 3 HA LYS 3 -6.894 -16.386 -1.436 27 1HB LYS 3 HB2 LYS 3 -4.564 -17.177 -1.783 28 2HB LYS 3 HB1 LYS 3 -5.714 -18.487 -1.550 29 1HG LYS 3 HG2 LYS 3 -5.763 -18.384 -4.207 30 2HG LYS 3 HG1 LYS 3 -4.141 -17.739 -3.941 31 1HD LYS 3 HD2 LYS 3 -4.988 -20.214 -2.501 32 2HD LYS 3 HD1 LYS 3 -4.523 -20.320 -4.200 33 1HE LYS 3 HE2 LYS 3 -2.684 -18.758 -2.537 34 2HE LYS 3 HE1 LYS 3 -2.801 -20.458 -2.087 35 1HZ LYS 3 HZ1 LYS 3 -2.311 -21.045 -4.394 36 2HZ LYS 3 HZ2 LYS 3 -1.064 -20.129 -3.710 37 3HZ LYS 3 HZ3 LYS 3 -2.149 -19.407 -4.788 38 H LEU 4 HN LEU 4 -6.064 -14.388 -1.548 39 HA LEU 4 HA LEU 4 -4.966 -13.427 -4.082 40 1HB LEU 4 HB2 LEU 4 -6.319 -11.464 -4.122 41 2HB LEU 4 HB1 LEU 4 -7.388 -12.848 -3.996 42 HG LEU 4 HG LEU 4 -7.121 -12.234 -1.379 43 1HD1 LEU 4 1HD1 LEU 4 -7.521 -9.639 -1.490 44 2HD1 LEU 4 2HD1 LEU 4 -6.521 -9.771 -2.936 45 3HD1 LEU 4 3HD1 LEU 4 -5.892 -10.305 -1.378 46 1HD2 LEU 4 1HD2 LEU 4 -9.109 -10.641 -2.906 47 2HD2 LEU 4 2HD2 LEU 4 -9.325 -11.662 -1.483 48 3HD2 LEU 4 3HD2 LEU 4 -9.146 -12.396 -3.077 49 H GLN 5 HN GLN 5 -3.181 -12.250 -3.804 50 HA GLN 5 HA GLN 5 -2.484 -11.436 -1.077 51 1HB GLN 5 HB2 GLN 5 -0.499 -11.397 -3.307 52 2HB GLN 5 HB1 GLN 5 -0.254 -11.727 -1.601 53 1HG GLN 5 HG2 GLN 5 -1.129 -13.921 -1.809 54 2HG GLN 5 HG1 GLN 5 -1.704 -13.597 -3.441 55 1HE2 GLN 5 1HE2 GLN 5 1.404 -12.822 -1.957 56 2HE2 GLN 5 2HE2 GLN 5 2.362 -13.755 -3.051 57 H ILE 6 HN ILE 6 -1.650 -9.403 -0.636 58 HA ILE 6 HA ILE 6 -1.917 -7.363 -2.719 59 HB ILE 6 HB ILE 6 -2.917 -6.954 0.094 60 1HG1 ILE 6 2HG1 ILE 6 -4.328 -8.641 -0.944 61 2HG1 ILE 6 1HG1 ILE 6 -5.200 -7.114 -0.867 62 1HG2 ILE 6 1HG2 ILE 6 -2.692 -5.326 -2.346 63 2HG2 ILE 6 2HG2 ILE 6 -2.608 -4.854 -0.650 64 3HG2 ILE 6 3HG2 ILE 6 -4.174 -5.137 -1.411 65 1HD1 ILE 6 1HD1 ILE 6 -3.816 -7.258 -3.350 66 2HD1 ILE 6 2HD1 ILE 6 -5.551 -7.184 -3.044 67 3HD1 ILE 6 3HD1 ILE 6 -4.732 -8.745 -3.108 68 H ALA 7 HN ALA 7 -0.322 -5.874 -2.713 69 HA ALA 7 HA ALA 7 1.485 -5.793 -0.384 70 1HB ALA 7 HB1 ALA 7 3.201 -5.150 -2.297 71 2HB ALA 7 HB2 ALA 7 2.112 -6.135 -3.274 72 3HB ALA 7 HB3 ALA 7 2.898 -6.826 -1.851 73 H VAL 8 HN VAL 8 1.664 -3.794 0.457 74 HA VAL 8 HA VAL 8 1.174 -1.526 -1.342 75 HB VAL 8 HB VAL 8 -0.711 -1.016 -0.299 76 1HG1 VAL 8 1HG1 VAL 8 -1.597 -2.301 1.604 77 2HG1 VAL 8 2HG1 VAL 8 -0.040 -3.114 1.759 78 3HG1 VAL 8 3HG1 VAL 8 -1.009 -3.336 0.302 79 1HG2 VAL 8 1HG2 VAL 8 0.960 -0.752 2.202 80 2HG2 VAL 8 2HG2 VAL 8 -0.662 -0.100 1.979 81 3HG2 VAL 8 3HG2 VAL 8 0.673 0.506 1.001 82 H GLY 9 HN GLY 9 2.060 0.478 -0.694 83 1HA GLY 9 HA2 GLY 9 4.104 0.397 1.402 84 2HA GLY 9 HA1 GLY 9 4.611 0.779 -0.240 85 H ILE 10 HN ILE 10 4.369 2.314 2.428 86 HA ILE 10 HA ILE 10 2.545 4.448 1.692 87 HB ILE 10 HB ILE 10 4.099 5.338 3.849 88 1HG1 ILE 10 2HG1 ILE 10 3.369 2.425 4.211 89 2HG1 ILE 10 1HG1 ILE 10 5.003 3.077 4.143 90 1HG2 ILE 10 1HG2 ILE 10 1.359 4.578 3.283 91 2HG2 ILE 10 2HG2 ILE 10 1.987 5.901 4.266 92 3HG2 ILE 10 3HG2 ILE 10 1.800 4.294 4.966 93 1HD1 ILE 10 1HD1 ILE 10 3.142 2.935 6.362 94 2HD1 ILE 10 2HD1 ILE 10 3.831 4.545 6.147 95 3HD1 ILE 10 3HD1 ILE 10 4.892 3.152 6.358 96 H ILE 11 HN ILE 11 3.370 5.429 -0.134 97 HA ILE 11 HA ILE 11 6.123 6.119 -0.396 98 HB ILE 11 HB ILE 11 4.184 7.669 -1.992 99 1HG1 ILE 11 2HG1 ILE 11 4.495 4.672 -2.257 100 2HG1 ILE 11 1HG1 ILE 11 3.000 5.575 -2.009 101 1HG2 ILE 11 1HG2 ILE 11 5.818 7.572 -3.607 102 2HG2 ILE 11 2HG2 ILE 11 6.438 6.021 -3.049 103 3HG2 ILE 11 3HG2 ILE 11 6.787 7.489 -2.136 104 1HD1 ILE 11 1HD1 ILE 11 2.722 5.712 -4.195 105 2HD1 ILE 11 2HD1 ILE 11 4.225 4.818 -4.439 106 3HD1 ILE 11 3HD1 ILE 11 4.252 6.578 -4.335 107 H ARG 12 HN ARG 12 7.146 7.643 0.568 108 HA ARG 12 HA ARG 12 5.654 9.955 1.590 109 1HB ARG 12 HB2 ARG 12 7.386 10.283 3.203 110 2HB ARG 12 HB1 ARG 12 6.964 8.577 3.222 111 1HG ARG 12 HG2 ARG 12 9.062 8.015 2.823 112 2HG ARG 12 HG1 ARG 12 9.077 8.990 1.355 113 1HD ARG 12 HD2 ARG 12 10.625 10.220 2.408 114 2HD ARG 12 HD1 ARG 12 9.269 10.890 3.313 115 HE ARG 12 HE ARG 12 10.327 8.485 4.466 116 1HH1 ARG 12 1HH1 ARG 12 10.688 11.951 4.283 117 2HH1 ARG 12 2HH1 ARG 12 11.487 12.074 5.814 118 1HH2 ARG 12 1HH2 ARG 12 11.378 8.643 6.479 119 2HH2 ARG 12 2HH2 ARG 12 11.880 10.196 7.061 120 H ASN 13 HN ASN 13 6.221 12.036 1.052 121 HA ASN 13 HA ASN 13 8.147 12.268 -1.162 122 1HB ASN 13 HB2 ASN 13 6.849 14.399 -1.690 123 2HB ASN 13 HB1 ASN 13 6.038 12.871 -1.981 124 1HD2 ASN 13 1HD2 ASN 13 5.631 15.871 -0.812 125 2HD2 ASN 13 2HD2 ASN 13 4.325 15.601 0.285 126 H GLU 14 HN GLU 14 8.562 14.818 -1.417 127 HA GLU 14 HA GLU 14 10.687 15.510 0.087 128 1HB GLU 14 HB2 GLU 14 10.122 16.600 -1.989 129 2HB GLU 14 HB1 GLU 14 8.666 17.286 -1.266 130 1HG GLU 14 HG2 GLU 14 10.038 18.661 0.204 131 2HG GLU 14 HG1 GLU 14 11.502 17.950 -0.474 132 H ASN 15 HN ASN 15 7.386 16.002 0.919 133 HA ASN 15 HA ASN 15 8.075 17.790 3.116 134 1HB ASN 15 HB2 ASN 15 6.000 17.974 1.534 135 2HB ASN 15 HB1 ASN 15 5.299 16.781 2.623 136 1HD2 ASN 15 1HD2 ASN 15 3.734 18.279 3.275 137 2HD2 ASN 15 2HD2 ASN 15 4.113 19.564 4.367 138 H ASN 16 HN ASN 16 8.867 14.931 3.105 139 HA ASN 16 HA ASN 16 8.839 13.075 4.443 140 1HB ASN 16 HB2 ASN 16 9.046 13.533 6.805 141 2HB ASN 16 HB1 ASN 16 9.863 14.813 5.915 142 1HD2 ASN 16 1HD2 ASN 16 7.184 13.987 7.940 143 2HD2 ASN 16 2HD2 ASN 16 6.667 15.602 8.271 144 H GLU 17 HN GLU 17 6.275 13.961 3.292 145 HA GLU 17 HA GLU 17 4.426 12.732 5.218 146 1HB GLU 17 HB2 GLU 17 2.640 13.964 4.164 147 2HB GLU 17 HB1 GLU 17 3.910 15.092 4.603 148 1HG GLU 17 HG2 GLU 17 4.722 14.929 2.231 149 2HG GLU 17 HG1 GLU 17 3.240 14.041 1.873 150 H ILE 18 HN ILE 18 2.730 11.368 4.213 151 HA ILE 18 HA ILE 18 3.836 9.994 1.863 152 HB ILE 18 HB ILE 18 3.859 8.607 3.835 153 1HG1 ILE 18 2HG1 ILE 18 3.061 7.783 1.449 154 2HG1 ILE 18 1HG1 ILE 18 3.079 6.698 2.823 155 1HG2 ILE 18 1HG2 ILE 18 0.879 8.998 3.961 156 2HG2 ILE 18 2HG2 ILE 18 2.055 9.755 5.032 157 3HG2 ILE 18 3HG2 ILE 18 1.860 8.003 5.036 158 1HD1 ILE 18 1HD1 ILE 18 1.052 6.431 1.557 159 2HD1 ILE 18 2HD1 ILE 18 0.694 8.148 1.718 160 3HD1 ILE 18 3HD1 ILE 18 0.682 7.110 3.142 161 H PHE 19 HN PHE 19 2.662 9.635 0.109 162 HA PHE 19 HA PHE 19 0.045 10.898 -0.083 163 1HB PHE 19 HB2 PHE 19 1.521 11.493 -1.850 164 2HB PHE 19 HB1 PHE 19 2.021 9.826 -2.098 165 HD1 PHE 19 HD1 PHE 19 0.434 8.222 -3.172 166 HD2 PHE 19 HD2 PHE 19 -0.341 12.401 -2.964 167 HE1 PHE 19 HE1 PHE 19 -1.232 7.998 -4.965 168 HE2 PHE 19 HE2 PHE 19 -2.008 12.183 -4.759 169 HZ PHE 19 HZ PHE 19 -2.455 9.980 -5.762 170 H ILE 20 HN ILE 20 -1.533 9.584 0.688 171 HA ILE 20 HA ILE 20 -1.503 6.766 -0.145 172 HB ILE 20 HB ILE 20 -3.587 7.153 1.717 173 1HG1 ILE 20 2HG1 ILE 20 -1.002 8.448 2.613 174 2HG1 ILE 20 1HG1 ILE 20 -2.569 9.234 2.456 175 1HG2 ILE 20 1HG2 ILE 20 -1.724 5.303 1.201 176 2HG2 ILE 20 2HG2 ILE 20 -2.666 5.343 2.691 177 3HG2 ILE 20 3HG2 ILE 20 -1.036 6.016 2.660 178 1HD1 ILE 20 1HD1 ILE 20 -3.448 8.035 4.297 179 2HD1 ILE 20 2HD1 ILE 20 -1.872 8.656 4.788 180 3HD1 ILE 20 3HD1 ILE 20 -2.052 6.957 4.345 181 H THR 21 HN THR 21 -3.336 5.813 -1.041 182 HA THR 21 HA THR 21 -5.051 7.672 -2.476 183 HB THR 21 HB THR 21 -5.597 5.887 -3.894 184 HG1 THR 21 HG1 THR 21 -4.603 4.055 -1.981 185 1HG2 THR 21 1HG2 THR 21 -3.463 4.557 -4.250 186 2HG2 THR 21 2HG2 THR 21 -2.785 5.523 -2.940 187 3HG2 THR 21 3HG2 THR 21 -3.363 6.311 -4.408 188 H ARG 22 HN ARG 22 -6.830 8.363 -1.467 189 HA ARG 22 HA ARG 22 -8.256 6.457 0.265 190 1HB ARG 22 HB2 ARG 22 -8.980 8.264 1.614 191 2HB ARG 22 HB1 ARG 22 -7.270 8.535 1.323 192 1HG ARG 22 HG2 ARG 22 -7.873 10.133 -0.471 193 2HG ARG 22 HG1 ARG 22 -9.569 9.924 -0.032 194 1HD ARG 22 HD2 ARG 22 -9.245 10.891 2.091 195 2HD ARG 22 HD1 ARG 22 -7.491 10.761 1.970 196 HE ARG 22 HE ARG 22 -9.154 12.852 0.912 197 1HH1 ARG 22 1HH1 ARG 22 -6.096 11.199 0.605 198 2HH1 ARG 22 2HH1 ARG 22 -5.310 12.534 -0.167 199 1HH2 ARG 22 1HH2 ARG 22 -8.121 14.609 -0.104 200 2HH2 ARG 22 2HH2 ARG 22 -6.459 14.471 -0.570 201 H ARG 23 HN ARG 23 -10.652 7.083 0.490 202 HA ARG 23 HA ARG 23 -11.795 6.930 -2.139 203 1HB ARG 23 HB2 ARG 23 -12.920 6.959 0.645 204 2HB ARG 23 HB1 ARG 23 -13.983 7.085 -0.749 205 1HG ARG 23 HG2 ARG 23 -12.024 4.839 -0.329 206 2HG ARG 23 HG1 ARG 23 -13.722 4.778 0.150 207 1HD ARG 23 HD2 ARG 23 -12.738 5.268 -2.659 208 2HD ARG 23 HD1 ARG 23 -13.276 3.708 -2.040 209 HE ARG 23 HE ARG 23 -15.264 5.691 -1.644 210 1HH1 ARG 23 1HH1 ARG 23 -13.834 3.678 -4.109 211 2HH1 ARG 23 2HH1 ARG 23 -15.258 3.654 -5.093 212 1HH2 ARG 23 1HH2 ARG 23 -17.139 5.660 -2.935 213 2HH2 ARG 23 2HH2 ARG 23 -17.135 4.779 -4.426 214 H ALA 24 HN ALA 24 -10.550 9.175 -2.381 215 HA ALA 24 HA ALA 24 -10.644 11.417 -2.728 216 1HB ALA 24 HB1 ALA 24 -13.609 11.109 -3.055 217 2HB ALA 24 HB2 ALA 24 -12.484 10.401 -4.214 218 3HB ALA 24 HB3 ALA 24 -12.494 12.145 -3.946 219 H ALA 25 HN ALA 25 -12.476 13.383 -2.228 220 HA ALA 25 HA ALA 25 -12.890 13.253 0.686 221 1HB ALA 25 HB1 ALA 25 -10.948 14.746 -0.411 222 2HB ALA 25 HB2 ALA 25 -11.804 15.202 1.061 223 3HB ALA 25 HB3 ALA 25 -12.284 15.894 -0.489 224 H ASP 26 HN ASP 26 -14.899 12.595 -1.072 225 HA ASP 26 HA ASP 26 -16.847 14.648 -0.459 226 1HB ASP 26 HB2 ASP 26 -17.719 14.591 -2.851 227 2HB ASP 26 HB1 ASP 26 -16.226 15.487 -2.588 228 H ALA 27 HN ALA 27 -16.216 11.549 -2.067 229 HA ALA 27 HA ALA 27 -18.767 10.507 -2.164 230 1HB ALA 27 HB1 ALA 27 -17.433 8.264 -1.683 231 2HB ALA 27 HB2 ALA 27 -16.053 9.326 -1.968 232 3HB ALA 27 HB3 ALA 27 -17.290 9.131 -3.211 233 H HIS 28 HN HIS 28 -19.472 8.534 -0.784 234 HA HIS 28 HA HIS 28 -19.511 9.439 2.004 235 1HB HIS 28 HB2 HIS 28 -21.591 8.823 0.414 236 2HB HIS 28 HB1 HIS 28 -21.288 7.235 1.111 237 HD1 HIS 28 HD1 HIS 28 -20.396 8.569 3.940 238 HD2 HIS 28 HD2 HIS 28 -23.965 9.102 1.881 239 HE1 HIS 28 HE1 HIS 28 -22.071 9.283 5.673 240 HE2 HIS 28 HE2 HIS 28 -24.202 9.685 4.389 241 H MET 29 HN MET 29 -17.253 7.979 0.869 242 HA MET 29 HA MET 29 -17.220 5.771 2.789 243 1HB MET 29 HB2 MET 29 -16.610 5.559 -0.152 244 2HB MET 29 HB1 MET 29 -15.934 4.428 1.013 245 1HG MET 29 HG2 MET 29 -18.535 4.325 1.700 246 2HG MET 29 HG1 MET 29 -18.673 4.673 -0.022 247 1HE MET 29 HE1 MET 29 -20.030 2.821 -0.094 248 2HE MET 29 HE2 MET 29 -19.689 1.214 0.547 249 3HE MET 29 HE3 MET 29 -19.304 1.592 -1.132 250 H ALA 30 HN ALA 30 -16.091 8.343 2.992 251 HA ALA 30 HA ALA 30 -13.386 8.462 2.221 252 1HB ALA 30 HB1 ALA 30 -15.060 10.274 3.177 253 2HB ALA 30 HB2 ALA 30 -13.310 10.450 3.324 254 3HB ALA 30 HB3 ALA 30 -14.255 9.857 4.690 255 H ASN 31 HN ASN 31 -14.836 6.444 4.488 256 HA ASN 31 HA ASN 31 -12.613 6.375 6.326 257 1HB ASN 31 HB2 ASN 31 -14.194 4.146 6.851 258 2HB ASN 31 HB1 ASN 31 -14.255 5.693 7.680 259 1HD2 ASN 31 1HD2 ASN 31 -16.081 6.812 7.605 260 2HD2 ASN 31 2HD2 ASN 31 -17.428 6.464 6.582 261 H LYS 32 HN LYS 32 -12.471 5.513 3.350 262 HA LYS 32 HA LYS 32 -11.289 2.875 3.856 263 1HB LYS 32 HB2 LYS 32 -13.042 3.815 1.751 264 2HB LYS 32 HB1 LYS 32 -11.562 3.128 1.095 265 1HG LYS 32 HG2 LYS 32 -12.157 1.043 1.619 266 2HG LYS 32 HG1 LYS 32 -12.749 1.513 3.213 267 1HD LYS 32 HD2 LYS 32 -14.800 2.403 2.125 268 2HD LYS 32 HD1 LYS 32 -14.213 1.768 0.588 269 1HE LYS 32 HE2 LYS 32 -14.003 -0.439 2.104 270 2HE LYS 32 HE1 LYS 32 -15.347 0.356 2.922 271 1HZ LYS 32 HZ1 LYS 32 -15.499 0.260 0.023 272 2HZ LYS 32 HZ2 LYS 32 -16.713 0.035 1.180 273 3HZ LYS 32 HZ3 LYS 32 -15.648 -1.228 0.815 274 H LEU 33 HN LEU 33 -10.092 5.516 4.186 275 HA LEU 33 HA LEU 33 -8.310 6.217 2.167 276 1HB LEU 33 HB2 LEU 33 -8.857 7.331 4.454 277 2HB LEU 33 HB1 LEU 33 -7.559 6.333 5.063 278 HG LEU 33 HG LEU 33 -7.430 8.667 3.207 279 1HD1 LEU 33 1HD1 LEU 33 -7.092 8.976 5.609 280 2HD1 LEU 33 2HD1 LEU 33 -5.632 9.336 4.689 281 3HD1 LEU 33 3HD1 LEU 33 -5.766 7.813 5.567 282 1HD2 LEU 33 1HD2 LEU 33 -5.301 6.540 3.437 283 2HD2 LEU 33 2HD2 LEU 33 -5.140 8.081 2.594 284 3HD2 LEU 33 3HD2 LEU 33 -6.278 6.869 2.006 285 H GLU 34 HN GLU 34 -7.532 4.249 1.219 286 HA GLU 34 HA GLU 34 -5.663 2.729 2.901 287 1HB GLU 34 HB2 GLU 34 -7.676 1.827 1.248 288 2HB GLU 34 HB1 GLU 34 -6.237 1.616 0.258 289 1HG GLU 34 HG2 GLU 34 -5.227 0.209 1.889 290 2HG GLU 34 HG1 GLU 34 -6.481 0.583 3.071 291 H PHE 35 HN PHE 35 -4.073 1.544 1.089 292 HA PHE 35 HA PHE 35 -2.675 3.793 -0.194 293 1HB PHE 35 HB2 PHE 35 -1.025 1.474 0.554 294 2HB PHE 35 HB1 PHE 35 -0.697 3.191 0.730 295 HD1 PHE 35 HD1 PHE 35 -0.534 4.043 2.846 296 HD2 PHE 35 HD2 PHE 35 -2.889 0.554 2.219 297 HE1 PHE 35 HE1 PHE 35 -0.936 3.884 5.266 298 HE2 PHE 35 HE2 PHE 35 -3.297 0.390 4.638 299 HZ PHE 35 HZ PHE 35 -2.320 2.056 6.165 300 HA PRO 36 HA PRO 36 -2.460 1.555 -4.002 301 1HB PRO 36 HB2 PRO 36 0.051 2.022 -4.877 302 2HB PRO 36 HB1 PRO 36 -1.176 3.290 -4.814 303 1HG PRO 36 HG2 PRO 36 1.033 2.702 -2.881 304 2HG PRO 36 HG1 PRO 36 0.493 4.266 -3.519 305 1HD PRO 36 HD2 PRO 36 -0.227 3.353 -1.072 306 2HD PRO 36 HD1 PRO 36 -1.277 4.396 -2.050 307 H GLY 37 HN GLY 37 -1.266 -0.205 -5.203 308 1HA GLY 37 HA2 GLY 37 0.316 -2.014 -5.145 309 2HA GLY 37 HA1 GLY 37 0.311 -1.891 -3.411 310 H GLY 38 HN GLY 38 -2.032 -2.341 -5.932 311 1HA GLY 38 HA2 GLY 38 -3.107 -4.707 -4.551 312 2HA GLY 38 HA1 GLY 38 -4.164 -3.492 -5.270 313 H LYS 39 HN LYS 39 -2.880 -6.477 -5.770 314 HA LYS 39 HA LYS 39 -3.624 -7.639 -7.771 315 1HB LYS 39 HB2 LYS 39 -4.038 -5.597 -9.089 316 2HB LYS 39 HB1 LYS 39 -2.303 -5.343 -9.229 317 1HG LYS 39 HG2 LYS 39 -2.187 -6.684 -10.984 318 2HG LYS 39 HG1 LYS 39 -2.982 -7.990 -10.104 319 1HD LYS 39 HD2 LYS 39 -4.840 -5.893 -10.878 320 2HD LYS 39 HD1 LYS 39 -4.007 -6.594 -12.268 321 1HE LYS 39 HE2 LYS 39 -6.043 -7.818 -11.852 322 2HE LYS 39 HE1 LYS 39 -4.657 -8.842 -11.479 323 1HZ LYS 39 HZ1 LYS 39 -6.689 -7.755 -9.709 324 2HZ LYS 39 HZ2 LYS 39 -5.113 -7.763 -9.099 325 3HZ LYS 39 HZ3 LYS 39 -5.829 -9.208 -9.609 326 H ILE 40 HN ILE 40 -0.821 -6.457 -6.408 327 HA ILE 40 HA ILE 40 1.356 -7.316 -7.711 328 HB ILE 40 HB ILE 40 2.040 -6.607 -5.688 329 1HG1 ILE 40 2HG1 ILE 40 1.691 -9.478 -4.827 330 2HG1 ILE 40 1HG1 ILE 40 2.881 -8.998 -6.029 331 1HG2 ILE 40 1HG2 ILE 40 0.753 -7.506 -3.560 332 2HG2 ILE 40 2HG2 ILE 40 -0.521 -7.765 -4.752 333 3HG2 ILE 40 3HG2 ILE 40 0.152 -6.151 -4.522 334 1HD1 ILE 40 1HD1 ILE 40 3.747 -7.387 -4.258 335 2HD1 ILE 40 2HD1 ILE 40 4.058 -9.105 -4.029 336 3HD1 ILE 40 3HD1 ILE 40 2.771 -8.317 -3.124 337 H GLU 41 HN GLU 41 -0.368 -9.434 -5.553 338 HA GLU 41 HA GLU 41 0.539 -11.806 -5.552 339 1HB GLU 41 HB2 GLU 41 -1.791 -12.740 -6.300 340 2HB GLU 41 HB1 GLU 41 -1.637 -11.784 -4.839 341 1HG GLU 41 HG2 GLU 41 -3.066 -10.285 -5.602 342 2HG GLU 41 HG1 GLU 41 -2.125 -10.043 -7.064 343 H MET 42 HN MET 42 -1.560 -11.525 -8.384 344 HA MET 42 HA MET 42 -1.457 -12.654 -10.381 345 1HB MET 42 HB2 MET 42 1.139 -11.128 -10.253 346 2HB MET 42 HB1 MET 42 0.601 -11.959 -11.706 347 1HG MET 42 HG2 MET 42 -1.367 -10.155 -10.479 348 2HG MET 42 HG1 MET 42 0.070 -9.381 -11.145 349 1HE MET 42 HE1 MET 42 -2.695 -12.155 -12.149 350 2HE MET 42 HE2 MET 42 -1.066 -12.739 -12.490 351 3HE MET 42 HE3 MET 42 -2.164 -12.365 -13.817 352 H GLY 43 HN GLY 43 2.038 -12.911 -10.128 353 1HA GLY 43 HA2 GLY 43 2.108 -15.577 -9.133 354 2HA GLY 43 HA1 GLY 43 2.150 -15.564 -10.882 355 H GLU 44 HN GLU 44 3.591 -12.933 -9.224 356 HA GLU 44 HA GLU 44 6.175 -13.606 -10.303 357 1HB GLU 44 HB2 GLU 44 4.838 -11.238 -9.445 358 2HB GLU 44 HB1 GLU 44 6.341 -11.369 -8.546 359 1HG GLU 44 HG2 GLU 44 7.384 -10.509 -10.292 360 2HG GLU 44 HG1 GLU 44 7.011 -11.985 -11.180 361 H THR 45 HN THR 45 7.820 -12.453 -8.229 362 HA THR 45 HA THR 45 7.751 -14.686 -6.318 363 HB THR 45 HB THR 45 10.191 -13.131 -6.254 364 HG1 THR 45 HG1 THR 45 9.375 -14.129 -8.775 365 1HG2 THR 45 1HG2 THR 45 10.690 -15.202 -5.580 366 2HG2 THR 45 2HG2 THR 45 10.920 -15.502 -7.304 367 3HG2 THR 45 3HG2 THR 45 9.397 -15.937 -6.527 368 HA PRO 46 HA PRO 46 6.822 -12.312 -2.729 369 1HB PRO 46 HB2 PRO 46 9.251 -12.730 -1.312 370 2HB PRO 46 HB1 PRO 46 7.742 -13.625 -1.139 371 1HG PRO 46 HG2 PRO 46 10.168 -14.299 -2.709 372 2HG PRO 46 HG1 PRO 46 9.010 -15.374 -1.904 373 1HD PRO 46 HD2 PRO 46 9.012 -15.107 -4.556 374 2HD PRO 46 HD1 PRO 46 7.485 -15.243 -3.661 375 H GLU 47 HN GLU 47 9.866 -11.817 -4.386 376 HA GLU 47 HA GLU 47 10.135 -9.153 -3.204 377 1HB GLU 47 HB2 GLU 47 11.990 -11.054 -4.528 378 2HB GLU 47 HB1 GLU 47 12.313 -9.340 -4.749 379 1HG GLU 47 HG2 GLU 47 11.870 -10.499 -2.025 380 2HG GLU 47 HG1 GLU 47 13.450 -10.557 -2.806 381 H GLN 48 HN GLN 48 10.088 -10.698 -6.435 382 HA GLN 48 HA GLN 48 9.915 -8.138 -7.752 383 1HB GLN 48 HB2 GLN 48 9.483 -10.874 -8.954 384 2HB GLN 48 HB1 GLN 48 9.878 -9.388 -9.806 385 1HG GLN 48 HG2 GLN 48 12.004 -9.437 -8.287 386 2HG GLN 48 HG1 GLN 48 11.619 -11.153 -8.159 387 1HE2 GLN 48 1HE2 GLN 48 12.356 -8.556 -10.403 388 2HE2 GLN 48 2HE2 GLN 48 12.959 -9.566 -11.668 389 H ALA 49 HN ALA 49 7.677 -9.960 -6.128 390 HA ALA 49 HA ALA 49 5.444 -9.876 -7.836 391 1HB ALA 49 HB1 ALA 49 5.601 -9.958 -4.829 392 2HB ALA 49 HB2 ALA 49 5.497 -11.337 -5.923 393 3HB ALA 49 HB3 ALA 49 4.137 -10.231 -5.771 394 H VAL 50 HN VAL 50 6.260 -7.743 -5.083 395 HA VAL 50 HA VAL 50 4.238 -5.852 -5.884 396 HB VAL 50 HB VAL 50 4.506 -5.844 -3.572 397 1HG1 VAL 50 1HG1 VAL 50 6.762 -5.469 -2.491 398 2HG1 VAL 50 2HG1 VAL 50 7.466 -5.824 -4.069 399 3HG1 VAL 50 3HG1 VAL 50 6.501 -7.045 -3.238 400 1HG2 VAL 50 1HG2 VAL 50 6.318 -3.549 -3.973 401 2HG2 VAL 50 2HG2 VAL 50 4.755 -3.631 -3.159 402 3HG2 VAL 50 3HG2 VAL 50 4.831 -3.551 -4.921 403 H VAL 51 HN VAL 51 7.765 -6.015 -6.022 404 HA VAL 51 HA VAL 51 8.377 -3.451 -6.787 405 HB VAL 51 HB VAL 51 9.656 -5.962 -7.884 406 1HG1 VAL 51 1HG1 VAL 51 11.624 -4.086 -7.667 407 2HG1 VAL 51 2HG1 VAL 51 10.249 -3.111 -8.184 408 3HG1 VAL 51 3HG1 VAL 51 10.768 -4.487 -9.156 409 1HG2 VAL 51 1HG2 VAL 51 10.905 -6.147 -5.991 410 2HG2 VAL 51 2HG2 VAL 51 9.454 -5.437 -5.285 411 3HG2 VAL 51 3HG2 VAL 51 10.845 -4.419 -5.650 412 H ARG 52 HN ARG 52 7.017 -6.033 -8.743 413 HA ARG 52 HA ARG 52 7.293 -4.572 -11.189 414 1HB ARG 52 HB2 ARG 52 6.529 -7.226 -10.424 415 2HB ARG 52 HB1 ARG 52 5.303 -6.562 -11.494 416 1HG ARG 52 HG2 ARG 52 6.975 -7.775 -12.753 417 2HG ARG 52 HG1 ARG 52 7.025 -6.057 -13.153 418 1HD ARG 52 HD2 ARG 52 8.795 -6.990 -10.969 419 2HD ARG 52 HD1 ARG 52 9.216 -7.484 -12.608 420 HE ARG 52 HE ARG 52 8.766 -4.803 -12.806 421 1HH1 ARG 52 1HH1 ARG 52 10.845 -6.797 -10.836 422 2HH1 ARG 52 2HH1 ARG 52 12.075 -5.587 -10.690 423 1HH2 ARG 52 1HH2 ARG 52 10.383 -3.210 -12.615 424 2HH2 ARG 52 2HH2 ARG 52 11.813 -3.551 -11.699 425 H GLU 53 HN GLU 53 4.514 -5.438 -9.140 426 HA GLU 53 HA GLU 53 2.654 -3.915 -10.636 427 1HB GLU 53 HB2 GLU 53 2.655 -5.381 -8.073 428 2HB GLU 53 HB1 GLU 53 1.494 -4.065 -8.183 429 1HG GLU 53 HG2 GLU 53 1.710 -6.470 -9.974 430 2HG GLU 53 HG1 GLU 53 0.407 -6.069 -8.857 431 H LEU 54 HN LEU 54 5.023 -3.058 -8.305 432 HA LEU 54 HA LEU 54 3.907 -0.802 -7.118 433 1HB LEU 54 HB2 LEU 54 6.258 -2.033 -6.866 434 2HB LEU 54 HB1 LEU 54 6.771 -0.722 -7.909 435 HG LEU 54 HG LEU 54 5.841 0.885 -6.250 436 1HD1 LEU 54 1HD1 LEU 54 4.587 -1.349 -5.209 437 2HD1 LEU 54 2HD1 LEU 54 4.673 0.248 -4.468 438 3HD1 LEU 54 3HD1 LEU 54 5.858 -0.987 -4.041 439 1HD2 LEU 54 1HD2 LEU 54 8.250 -0.378 -6.296 440 2HD2 LEU 54 2HD2 LEU 54 7.736 -0.639 -4.629 441 3HD2 LEU 54 3HD2 LEU 54 7.846 0.999 -5.273 442 H GLN 55 HN GLN 55 5.673 -1.132 -10.169 443 HA GLN 55 HA GLN 55 5.623 1.615 -10.851 444 1HB GLN 55 HB2 GLN 55 6.494 -0.856 -12.049 445 2HB GLN 55 HB1 GLN 55 5.611 0.096 -13.235 446 1HG GLN 55 HG2 GLN 55 7.686 1.450 -11.597 447 2HG GLN 55 HG1 GLN 55 8.201 0.372 -12.893 448 1HE2 GLN 55 1HE2 GLN 55 8.706 1.478 -14.631 449 2HE2 GLN 55 2HE2 GLN 55 7.864 2.854 -15.250 450 H GLU 56 HN GLU 56 3.324 -0.960 -11.064 451 HA GLU 56 HA GLU 56 1.603 0.273 -12.984 452 1HB GLU 56 HB2 GLU 56 1.810 -2.234 -12.184 453 2HB GLU 56 HB1 GLU 56 0.600 -1.733 -11.017 454 1HG GLU 56 HG2 GLU 56 0.089 -1.020 -13.834 455 2HG GLU 56 HG1 GLU 56 -0.003 -2.730 -13.417 456 H GLU 57 HN GLU 57 1.986 0.448 -9.518 457 HA GLU 57 HA GLU 57 -0.511 1.978 -9.374 458 1HB GLU 57 HB2 GLU 57 0.446 -0.077 -7.734 459 2HB GLU 57 HB1 GLU 57 0.568 1.394 -6.776 460 1HG GLU 57 HG2 GLU 57 -1.588 1.181 -6.324 461 2HG GLU 57 HG1 GLU 57 -1.913 1.566 -8.010 462 H VAL 58 HN VAL 58 2.545 2.695 -9.898 463 HA VAL 58 HA VAL 58 2.399 5.173 -8.321 464 HB VAL 58 HB VAL 58 5.014 3.779 -8.886 465 1HG1 VAL 58 1HG1 VAL 58 5.146 5.377 -6.590 466 2HG1 VAL 58 2HG1 VAL 58 4.245 6.314 -7.781 467 3HG1 VAL 58 3HG1 VAL 58 5.853 5.704 -8.171 468 1HG2 VAL 58 1HG2 VAL 58 3.094 2.798 -7.142 469 2HG2 VAL 58 2HG2 VAL 58 4.180 3.719 -6.106 470 3HG2 VAL 58 3HG2 VAL 58 4.817 2.426 -7.122 471 H GLY 59 HN GLY 59 3.815 3.499 -11.094 472 1HA GLY 59 HA2 GLY 59 4.384 4.209 -13.187 473 2HA GLY 59 HA1 GLY 59 3.145 5.423 -12.966 474 H ILE 60 HN ILE 60 5.548 5.816 -10.609 475 HA ILE 60 HA ILE 60 6.933 7.756 -12.319 476 HB ILE 60 HB ILE 60 7.293 8.669 -9.738 477 1HG1 ILE 60 2HG1 ILE 60 4.352 8.582 -9.893 478 2HG1 ILE 60 1HG1 ILE 60 5.141 7.090 -9.400 479 1HG2 ILE 60 1HG2 ILE 60 7.098 10.179 -11.507 480 2HG2 ILE 60 2HG2 ILE 60 5.685 10.491 -10.499 481 3HG2 ILE 60 3HG2 ILE 60 5.521 9.550 -11.981 482 1HD1 ILE 60 1HD1 ILE 60 4.668 9.468 -7.891 483 2HD1 ILE 60 2HD1 ILE 60 6.394 9.119 -7.949 484 3HD1 ILE 60 3HD1 ILE 60 5.267 7.903 -7.350 485 H THR 61 HN THR 61 8.910 8.517 -10.545 486 HA THR 61 HA THR 61 10.437 6.018 -10.245 487 HB THR 61 HB THR 61 11.701 7.138 -11.751 488 HG1 THR 61 HG1 THR 61 12.538 8.658 -9.531 489 1HG2 THR 61 1HG2 THR 61 11.941 9.704 -11.688 490 2HG2 THR 61 2HG2 THR 61 10.461 9.633 -10.731 491 3HG2 THR 61 3HG2 THR 61 10.482 8.980 -12.367 492 HA PRO 62 HA PRO 62 10.522 7.636 -5.995 493 1HB PRO 62 HB2 PRO 62 8.838 5.970 -4.865 494 2HB PRO 62 HB1 PRO 62 8.214 7.094 -6.080 495 1HG PRO 62 HG2 PRO 62 8.714 4.174 -6.289 496 2HG PRO 62 HG1 PRO 62 7.523 5.174 -7.139 497 1HD PRO 62 HD2 PRO 62 10.172 4.377 -8.023 498 2HD PRO 62 HD1 PRO 62 8.927 5.274 -8.907 499 H GLN 63 HN GLN 63 12.129 7.102 -4.552 500 HA GLN 63 HA GLN 63 13.333 4.484 -4.727 501 1HB GLN 63 HB2 GLN 63 14.923 5.245 -3.149 502 2HB GLN 63 HB1 GLN 63 14.572 6.653 -4.134 503 1HG GLN 63 HG2 GLN 63 12.854 7.188 -2.258 504 2HG GLN 63 HG1 GLN 63 13.851 6.092 -1.305 505 1HE2 GLN 63 1HE2 GLN 63 13.821 8.458 -0.284 506 2HE2 GLN 63 2HE2 GLN 63 15.236 9.378 -0.651 507 H HIS 64 HN HIS 64 11.411 3.398 -4.446 508 HA HIS 64 HA HIS 64 10.241 3.402 -1.759 509 1HB HIS 64 HB2 HIS 64 8.644 4.014 -3.419 510 2HB HIS 64 HB1 HIS 64 9.224 2.797 -4.506 511 HD1 HIS 64 HD1 HIS 64 6.236 3.307 -3.303 512 HD2 HIS 64 HD2 HIS 64 8.834 0.175 -2.459 513 HE1 HIS 64 HE1 HIS 64 4.779 1.412 -2.527 514 HE2 HIS 64 HE2 HIS 64 6.380 -0.441 -1.942 515 H PHE 65 HN PHE 65 10.427 1.635 -0.527 516 HA PHE 65 HA PHE 65 10.512 -1.005 -1.475 517 1HB PHE 65 HB2 PHE 65 12.813 0.240 -2.078 518 2HB PHE 65 HB1 PHE 65 13.197 -0.284 -0.449 519 HD1 PHE 65 HD1 PHE 65 11.169 -1.994 -3.047 520 HD2 PHE 65 HD2 PHE 65 14.747 -2.005 -0.743 521 HE1 PHE 65 HE1 PHE 65 11.719 -4.226 -3.919 522 HE2 PHE 65 HE2 PHE 65 15.303 -4.239 -1.614 523 HZ PHE 65 HZ PHE 65 13.788 -5.351 -3.207 524 H SER 66 HN SER 66 12.593 -1.684 0.625 525 HA SER 66 HA SER 66 12.608 -2.421 2.764 526 1HB SER 66 HB2 SER 66 13.180 -0.204 3.348 527 2HB SER 66 HB1 SER 66 11.537 0.376 3.078 528 HG SER 66 HG SER 66 12.019 0.116 5.305 529 H LEU 67 HN LEU 67 11.262 -2.747 4.796 530 HA LEU 67 HA LEU 67 8.433 -3.157 4.128 531 1HB LEU 67 HB2 LEU 67 9.470 -5.298 3.848 532 2HB LEU 67 HB1 LEU 67 10.337 -5.139 5.364 533 HG LEU 67 HG LEU 67 7.404 -5.020 5.608 534 1HD1 LEU 67 1HD1 LEU 67 7.070 -7.401 5.334 535 2HD1 LEU 67 2HD1 LEU 67 8.755 -7.608 4.856 536 3HD1 LEU 67 3HD1 LEU 67 7.653 -6.697 3.825 537 1HD2 LEU 67 1HD2 LEU 67 7.876 -5.681 7.685 538 2HD2 LEU 67 2HD2 LEU 67 9.567 -5.397 7.274 539 3HD2 LEU 67 3HD2 LEU 67 8.883 -7.015 7.123 540 H PHE 68 HN PHE 68 7.450 -1.738 5.443 541 HA PHE 68 HA PHE 68 8.480 -1.092 8.041 542 1HB PHE 68 HB2 PHE 68 7.339 0.772 7.538 543 2HB PHE 68 HB1 PHE 68 6.503 -0.032 6.218 544 HD1 PHE 68 HD1 PHE 68 4.468 -1.482 6.865 545 HD2 PHE 68 HD2 PHE 68 6.162 1.483 9.399 546 HE1 PHE 68 HE1 PHE 68 2.357 -1.360 8.120 547 HE2 PHE 68 HE2 PHE 68 4.054 1.611 10.664 548 HZ PHE 68 HZ PHE 68 2.148 0.188 10.026 549 H GLU 69 HN GLU 69 5.804 -2.994 6.764 550 HA GLU 69 HA GLU 69 5.764 -4.749 8.980 551 1HB GLU 69 HB2 GLU 69 4.552 -2.507 9.717 552 2HB GLU 69 HB1 GLU 69 3.206 -3.219 8.839 553 1HG GLU 69 HG2 GLU 69 2.976 -4.958 10.322 554 2HG GLU 69 HG1 GLU 69 4.647 -4.848 10.874 555 H LYS 70 HN LYS 70 4.078 -6.411 8.756 556 HA LYS 70 HA LYS 70 2.707 -6.437 6.177 557 1HB LYS 70 HB2 LYS 70 3.525 -8.846 5.870 558 2HB LYS 70 HB1 LYS 70 4.666 -7.554 5.522 559 1HG LYS 70 HG2 LYS 70 5.939 -7.989 7.399 560 2HG LYS 70 HG1 LYS 70 4.615 -8.806 8.232 561 1HD LYS 70 HD2 LYS 70 6.154 -10.492 7.579 562 2HD LYS 70 HD1 LYS 70 4.778 -10.611 6.481 563 1HE LYS 70 HE2 LYS 70 6.089 -9.168 4.878 564 2HE LYS 70 HE1 LYS 70 7.479 -9.399 5.939 565 1HZ LYS 70 HZ1 LYS 70 6.951 -11.882 5.636 566 2HZ LYS 70 HZ2 LYS 70 7.725 -11.061 4.376 567 3HZ LYS 70 HZ3 LYS 70 6.069 -11.384 4.281 568 H LEU 71 HN LEU 71 0.731 -7.328 6.294 569 HA LEU 71 HA LEU 71 0.079 -8.928 8.679 570 1HB LEU 71 HB2 LEU 71 -0.954 -6.798 8.947 571 2HB LEU 71 HB1 LEU 71 -1.531 -6.792 7.292 572 HG LEU 71 HG LEU 71 -2.836 -8.953 8.134 573 1HD1 LEU 71 1HD1 LEU 71 -1.669 -8.480 10.438 574 2HD1 LEU 71 2HD1 LEU 71 -3.339 -9.041 10.365 575 3HD1 LEU 71 3HD1 LEU 71 -2.994 -7.331 10.624 576 1HD2 LEU 71 1HD2 LEU 71 -4.768 -7.569 8.430 577 2HD2 LEU 71 2HD2 LEU 71 -3.763 -6.852 7.172 578 3HD2 LEU 71 3HD2 LEU 71 -3.766 -6.165 8.796 579 H GLU 72 HN GLU 72 -0.775 -10.875 8.302 580 HA GLU 72 HA GLU 72 -1.959 -11.400 5.663 581 1HB GLU 72 HB2 GLU 72 0.048 -12.497 5.370 582 2HB GLU 72 HB1 GLU 72 0.228 -12.853 7.080 583 1HG GLU 72 HG2 GLU 72 -0.131 -14.870 5.767 584 2HG GLU 72 HG1 GLU 72 -1.438 -14.602 6.918 585 H TYR 73 HN TYR 73 -4.037 -11.778 6.005 586 HA TYR 73 HA TYR 73 -4.798 -13.720 8.064 587 1HB TYR 73 HB2 TYR 73 -6.736 -12.341 8.706 588 2HB TYR 73 HB1 TYR 73 -5.215 -11.526 9.054 589 HD1 TYR 73 HD1 TYR 73 -8.410 -11.081 7.758 590 HD2 TYR 73 HD2 TYR 73 -4.365 -9.992 7.018 591 HE1 TYR 73 HE1 TYR 73 -9.178 -9.130 6.477 592 HE2 TYR 73 HE2 TYR 73 -5.122 -8.035 5.734 593 HH TYR 73 HH TYR 73 -7.349 -6.566 5.758 594 H GLU 74 HN GLU 74 -5.484 -15.337 6.783 595 HA GLU 74 HA GLU 74 -7.006 -14.749 4.386 596 1HB GLU 74 HB2 GLU 74 -6.913 -17.190 3.991 597 2HB GLU 74 HB1 GLU 74 -5.325 -16.469 4.200 598 1HG GLU 74 HG2 GLU 74 -5.456 -17.218 6.614 599 2HG GLU 74 HG1 GLU 74 -6.866 -18.163 6.140 600 H PHE 75 HN PHE 75 -9.128 -14.782 4.228 601 HA PHE 75 HA PHE 75 -10.786 -15.263 6.484 602 1HB PHE 75 HB2 PHE 75 -11.091 -14.235 3.773 603 2HB PHE 75 HB1 PHE 75 -12.450 -15.233 4.257 604 HD1 PHE 75 HD1 PHE 75 -14.222 -14.133 5.206 605 HD2 PHE 75 HD2 PHE 75 -10.300 -12.562 5.731 606 HE1 PHE 75 HE1 PHE 75 -15.155 -12.233 6.460 607 HE2 PHE 75 HE2 PHE 75 -11.227 -10.660 6.989 608 HZ PHE 75 HZ PHE 75 -13.656 -10.494 7.354 609 HA PRO 76 HA PRO 76 -12.093 -19.459 6.485 610 1HB PRO 76 HB2 PRO 76 -14.686 -19.140 5.327 611 2HB PRO 76 HB1 PRO 76 -14.280 -19.329 7.033 612 1HG PRO 76 HG2 PRO 76 -14.778 -16.853 5.470 613 2HG PRO 76 HG1 PRO 76 -15.061 -17.175 7.192 614 1HD PRO 76 HD2 PRO 76 -13.040 -15.624 6.416 615 2HD PRO 76 HD1 PRO 76 -12.820 -16.783 7.747 616 H ASP 77 HN ASP 77 -12.603 -17.635 3.593 617 HA ASP 77 HA ASP 77 -11.789 -19.948 2.002 618 1HB ASP 77 HB2 ASP 77 -13.529 -19.376 0.287 619 2HB ASP 77 HB1 ASP 77 -14.179 -20.004 1.798 620 H ARG 78 HN ARG 78 -12.174 -16.475 2.293 621 HA ARG 78 HA ARG 78 -10.624 -16.005 -0.132 622 1HB ARG 78 HB2 ARG 78 -12.728 -14.693 0.615 623 2HB ARG 78 HB1 ARG 78 -11.639 -13.874 1.725 624 1HG ARG 78 HG2 ARG 78 -10.245 -13.194 -0.198 625 2HG ARG 78 HG1 ARG 78 -11.422 -13.944 -1.279 626 1HD ARG 78 HD2 ARG 78 -11.989 -11.696 0.650 627 2HD ARG 78 HD1 ARG 78 -11.757 -11.520 -1.089 628 HE ARG 78 HE ARG 78 -13.790 -13.353 -0.779 629 1HH1 ARG 78 1HH1 ARG 78 -13.225 -10.027 0.115 630 2HH1 ARG 78 2HH1 ARG 78 -14.900 -9.594 0.049 631 1HH2 ARG 78 1HH2 ARG 78 -15.994 -12.785 -0.866 632 2HH2 ARG 78 2HH2 ARG 78 -16.473 -11.159 -0.507 633 H HIS 79 HN HIS 79 -8.503 -16.500 0.303 634 HA HIS 79 HA HIS 79 -7.233 -15.650 2.738 635 1HB HIS 79 HB2 HIS 79 -5.891 -16.698 0.244 636 2HB HIS 79 HB1 HIS 79 -5.249 -16.695 1.883 637 HD1 HIS 79 HD1 HIS 79 -5.082 -19.355 0.890 638 HD2 HIS 79 HD2 HIS 79 -8.725 -17.923 2.283 639 HE1 HIS 79 HE1 HIS 79 -6.449 -21.398 1.423 640 HE2 HIS 79 HE2 HIS 79 -8.616 -20.505 2.346 641 H ILE 80 HN ILE 80 -7.102 -13.459 2.935 642 HA ILE 80 HA ILE 80 -6.006 -11.939 0.687 643 HB ILE 80 HB ILE 80 -8.088 -11.036 1.435 644 1HG1 ILE 80 2HG1 ILE 80 -6.319 -9.153 2.870 645 2HG1 ILE 80 1HG1 ILE 80 -5.836 -9.569 1.230 646 1HG2 ILE 80 1HG2 ILE 80 -6.901 -11.079 4.203 647 2HG2 ILE 80 2HG2 ILE 80 -8.254 -12.043 3.610 648 3HG2 ILE 80 3HG2 ILE 80 -8.422 -10.297 3.777 649 1HD1 ILE 80 1HD1 ILE 80 -8.575 -8.561 1.942 650 2HD1 ILE 80 2HD1 ILE 80 -7.869 -8.737 0.335 651 3HD1 ILE 80 3HD1 ILE 80 -7.244 -7.515 1.444 652 H THR 81 HN THR 81 -4.038 -11.055 0.797 653 HA THR 81 HA THR 81 -2.651 -11.040 3.397 654 HB THR 81 HB THR 81 -0.757 -11.119 1.275 655 HG1 THR 81 HG1 THR 81 -1.368 -12.782 0.069 656 1HG2 THR 81 1HG2 THR 81 -1.169 -13.651 2.616 657 2HG2 THR 81 2HG2 THR 81 -1.055 -12.291 3.734 658 3HG2 THR 81 3HG2 THR 81 0.245 -12.598 2.581 659 H LEU 82 HN LEU 82 -1.760 -9.134 4.014 660 HA LEU 82 HA LEU 82 -1.552 -7.011 1.979 661 1HB LEU 82 HB2 LEU 82 -2.583 -6.803 4.802 662 2HB LEU 82 HB1 LEU 82 -2.146 -5.409 3.833 663 HG LEU 82 HG LEU 82 -4.172 -7.374 2.822 664 1HD1 LEU 82 1HD1 LEU 82 -5.391 -5.070 4.030 665 2HD1 LEU 82 2HD1 LEU 82 -4.461 -5.970 5.228 666 3HD1 LEU 82 3HD1 LEU 82 -5.720 -6.781 4.297 667 1HD2 LEU 82 1HD2 LEU 82 -4.250 -4.430 2.405 668 2HD2 LEU 82 2HD2 LEU 82 -4.737 -5.740 1.329 669 3HD2 LEU 82 3HD2 LEU 82 -3.026 -5.368 1.548 670 H TRP 83 HN TRP 83 0.507 -6.484 1.703 671 HA TRP 83 HA TRP 83 2.334 -6.620 4.008 672 1HB TRP 83 HB2 TRP 83 2.920 -6.669 1.040 673 2HB TRP 83 HB1 TRP 83 4.152 -6.641 2.296 674 HD1 TRP 83 HD1 TRP 83 1.020 -8.833 2.555 675 HE1 TRP 83 HE1 TRP 83 1.739 -11.297 2.518 676 HE3 TRP 83 HE3 TRP 83 5.988 -8.203 1.554 677 HZ2 TRP 83 HZ2 TRP 83 4.106 -12.786 2.119 678 HZ3 TRP 83 HZ3 TRP 83 7.414 -10.200 1.362 679 HH2 TRP 83 HH2 TRP 83 6.491 -12.443 1.638 680 H PHE 84 HN PHE 84 2.970 -4.762 4.874 681 HA PHE 84 HA PHE 84 2.600 -2.297 3.322 682 1HB PHE 84 HB2 PHE 84 2.770 -2.840 6.279 683 2HB PHE 84 HB1 PHE 84 3.020 -1.219 5.644 684 HD1 PHE 84 HD1 PHE 84 1.102 -0.385 6.932 685 HD2 PHE 84 HD2 PHE 84 0.645 -3.441 3.994 686 HE1 PHE 84 HE1 PHE 84 -1.326 -0.021 6.926 687 HE2 PHE 84 HE2 PHE 84 -1.783 -3.075 3.989 688 HZ PHE 84 HZ PHE 84 -2.772 -1.364 5.454 689 H TRP 85 HN TRP 85 4.353 -1.708 2.222 690 HA TRP 85 HA TRP 85 7.012 -2.274 3.291 691 1HB TRP 85 HB2 TRP 85 6.119 -1.314 0.568 692 2HB TRP 85 HB1 TRP 85 7.795 -1.613 1.020 693 HD1 TRP 85 HD1 TRP 85 4.530 -3.723 1.251 694 HE1 TRP 85 HE1 TRP 85 5.070 -6.093 0.406 695 HE3 TRP 85 HE3 TRP 85 9.478 -3.080 0.137 696 HZ2 TRP 85 HZ2 TRP 85 7.300 -7.504 -0.599 697 HZ3 TRP 85 HZ3 TRP 85 10.743 -4.990 -0.761 698 HH2 TRP 85 HH2 TRP 85 9.675 -7.156 -1.121 699 H LEU 86 HN LEU 86 8.626 -0.687 3.528 700 HA LEU 86 HA LEU 86 7.564 1.953 4.144 701 1HB LEU 86 HB2 LEU 86 9.099 0.592 5.664 702 2HB LEU 86 HB1 LEU 86 10.390 1.025 4.560 703 HG LEU 86 HG LEU 86 10.274 2.468 6.579 704 1HD1 LEU 86 1HD1 LEU 86 9.624 4.367 4.440 705 2HD1 LEU 86 2HD1 LEU 86 10.842 3.163 4.020 706 3HD1 LEU 86 3HD1 LEU 86 11.083 4.209 5.419 707 1HD2 LEU 86 1HD2 LEU 86 7.637 2.379 6.395 708 2HD2 LEU 86 2HD2 LEU 86 7.897 3.853 5.463 709 3HD2 LEU 86 3HD2 LEU 86 8.470 3.750 7.127 710 H VAL 87 HN VAL 87 7.377 3.185 2.401 711 HA VAL 87 HA VAL 87 9.401 3.244 0.306 712 HB VAL 87 HB VAL 87 6.939 4.921 0.541 713 1HG1 VAL 87 1HG1 VAL 87 9.013 4.574 -1.465 714 2HG1 VAL 87 2HG1 VAL 87 7.860 5.883 -1.243 715 3HG1 VAL 87 3HG1 VAL 87 7.380 4.424 -2.108 716 1HG2 VAL 87 1HG2 VAL 87 7.277 2.156 -0.615 717 2HG2 VAL 87 2HG2 VAL 87 5.884 3.194 -0.947 718 3HG2 VAL 87 3HG2 VAL 87 6.205 2.649 0.699 719 H GLU 88 HN GLU 88 10.658 5.070 -0.220 720 HA GLU 88 HA GLU 88 10.629 7.059 1.941 721 1HB GLU 88 HB2 GLU 88 13.080 6.764 0.302 722 2HB GLU 88 HB1 GLU 88 12.905 7.139 2.008 723 1HG GLU 88 HG2 GLU 88 12.288 4.414 0.921 724 2HG GLU 88 HG1 GLU 88 13.923 4.893 1.375 725 H ARG 89 HN ARG 89 10.506 6.904 -1.607 726 HA ARG 89 HA ARG 89 9.889 9.705 -1.603 727 1HB ARG 89 HB2 ARG 89 11.939 10.535 -1.805 728 2HB ARG 89 HB1 ARG 89 12.634 8.940 -2.000 729 1HG ARG 89 HG2 ARG 89 12.056 9.045 -4.416 730 2HG ARG 89 HG1 ARG 89 11.519 10.707 -4.165 731 1HD ARG 89 HD2 ARG 89 14.242 9.945 -3.242 732 2HD ARG 89 HD1 ARG 89 13.973 10.146 -4.972 733 HE ARG 89 HE ARG 89 12.904 12.370 -3.672 734 1HH1 ARG 89 1HH1 ARG 89 16.019 10.906 -4.247 735 2HH1 ARG 89 2HH1 ARG 89 16.876 12.409 -4.189 736 1HH2 ARG 89 1HH2 ARG 89 14.030 14.349 -3.594 737 2HH2 ARG 89 2HH2 ARG 89 15.748 14.364 -3.818 738 H TRP 90 HN TRP 90 9.560 10.611 -3.807 739 HA TRP 90 HA TRP 90 9.230 8.776 -5.983 740 1HB TRP 90 HB2 TRP 90 6.944 8.612 -6.119 741 2HB TRP 90 HB1 TRP 90 7.180 8.578 -4.381 742 HD1 TRP 90 HD1 TRP 90 6.338 11.224 -7.100 743 HE1 TRP 90 HE1 TRP 90 4.659 12.883 -6.075 744 HE3 TRP 90 HE3 TRP 90 6.133 9.346 -2.348 745 HZ2 TRP 90 HZ2 TRP 90 3.402 13.326 -3.598 746 HZ3 TRP 90 HZ3 TRP 90 4.654 10.447 -0.714 747 HH2 TRP 90 HH2 TRP 90 3.318 12.396 -1.326 748 H GLU 91 HN GLU 91 9.719 9.830 -7.821 749 HA GLU 91 HA GLU 91 9.950 12.706 -7.719 750 1HB GLU 91 HB2 GLU 91 11.180 10.654 -9.167 751 2HB GLU 91 HB1 GLU 91 10.285 11.579 -10.365 752 1HG GLU 91 HG2 GLU 91 12.263 12.701 -10.384 753 2HG GLU 91 HG1 GLU 91 11.399 13.622 -9.152 754 H GLY 92 HN GLY 92 8.355 14.063 -8.135 755 1HA GLY 92 HA2 GLY 92 6.700 15.045 -9.479 756 2HA GLY 92 HA1 GLY 92 6.540 13.530 -10.354 757 H GLU 93 HN GLU 93 4.598 12.676 -10.111 758 HA GLU 93 HA GLU 93 3.359 12.745 -7.446 759 1HB GLU 93 HB2 GLU 93 2.072 13.312 -10.111 760 2HB GLU 93 HB1 GLU 93 1.137 12.885 -8.684 761 1HG GLU 93 HG2 GLU 93 2.176 14.834 -7.520 762 2HG GLU 93 HG1 GLU 93 2.890 15.297 -9.063 763 HA PRO 94 HA PRO 94 3.032 8.361 -8.196 764 1HB PRO 94 HB2 PRO 94 1.207 8.154 -5.951 765 2HB PRO 94 HB1 PRO 94 2.896 7.653 -6.044 766 1HG PRO 94 HG2 PRO 94 2.044 9.720 -4.494 767 2HG PRO 94 HG1 PRO 94 3.669 9.639 -5.197 768 1HD PRO 94 HD2 PRO 94 1.261 11.149 -6.162 769 2HD PRO 94 HD1 PRO 94 2.949 11.684 -6.045 770 H TRP 95 HN TRP 95 1.733 7.315 -9.611 771 HA TRP 95 HA TRP 95 -1.141 7.794 -9.407 772 1HB TRP 95 HB2 TRP 95 -1.230 7.939 -11.944 773 2HB TRP 95 HB1 TRP 95 -0.584 9.340 -11.101 774 HD1 TRP 95 HD1 TRP 95 1.997 9.871 -11.422 775 HE1 TRP 95 HE1 TRP 95 3.712 9.174 -13.212 776 HE3 TRP 95 HE3 TRP 95 -0.509 5.900 -13.401 777 HZ2 TRP 95 HZ2 TRP 95 3.945 7.201 -15.218 778 HZ3 TRP 95 HZ3 TRP 95 0.518 4.661 -15.261 779 HH2 TRP 95 HH2 TRP 95 2.705 5.293 -16.143 780 H GLY 96 HN GLY 96 1.198 6.028 -11.427 781 1HA GLY 96 HA2 GLY 96 1.118 3.888 -12.283 782 2HA GLY 96 HA1 GLY 96 0.556 3.455 -10.682 783 H LYS 97 HN LYS 97 -1.626 3.112 -10.309 784 HA LYS 97 HA LYS 97 -3.720 3.696 -12.063 785 1HB LYS 97 HB2 LYS 97 -2.429 2.051 -13.492 786 2HB LYS 97 HB1 LYS 97 -2.836 0.820 -12.303 787 1HG LYS 97 HG2 LYS 97 -4.583 0.452 -13.655 788 2HG LYS 97 HG1 LYS 97 -5.284 1.833 -12.808 789 1HD LYS 97 HD2 LYS 97 -3.562 2.459 -15.125 790 2HD LYS 97 HD1 LYS 97 -5.099 1.669 -15.488 791 1HE LYS 97 HE2 LYS 97 -6.336 3.448 -14.792 792 2HE LYS 97 HE1 LYS 97 -5.152 3.936 -13.578 793 1HZ LYS 97 HZ1 LYS 97 -5.359 4.688 -16.375 794 2HZ LYS 97 HZ2 LYS 97 -3.790 4.404 -15.811 795 3HZ LYS 97 HZ3 LYS 97 -4.761 5.566 -15.058 796 H GLU 98 HN GLU 98 -3.090 3.533 -9.221 797 HA GLU 98 HA GLU 98 -4.397 1.347 -7.996 798 1HB GLU 98 HB2 GLU 98 -4.670 3.229 -6.107 799 2HB GLU 98 HB1 GLU 98 -3.149 2.409 -6.420 800 1HG GLU 98 HG2 GLU 98 -2.983 4.878 -6.148 801 2HG GLU 98 HG1 GLU 98 -2.303 4.253 -7.644 802 H GLY 99 HN GLY 99 -5.575 4.238 -9.500 803 1HA GLY 99 HA2 GLY 99 -7.712 4.879 -10.038 804 2HA GLY 99 HA1 GLY 99 -8.255 3.309 -9.472 805 H GLN 100 HN GLN 100 -6.502 5.494 -7.379 806 HA GLN 100 HA GLN 100 -8.997 6.347 -6.107 807 1HB GLN 100 HB2 GLN 100 -6.922 4.591 -4.910 808 2HB GLN 100 HB1 GLN 100 -7.600 5.845 -3.880 809 1HG GLN 100 HG2 GLN 100 -9.820 4.982 -4.206 810 2HG GLN 100 HG1 GLN 100 -9.228 3.803 -5.375 811 1HE2 GLN 100 1HE2 GLN 100 -8.955 4.806 -2.002 812 2HE2 GLN 100 2HE2 GLN 100 -8.625 3.231 -1.374 813 HA PRO 101 HA PRO 101 -6.609 10.170 -6.709 814 1HB PRO 101 HB2 PRO 101 -9.017 10.890 -5.072 815 2HB PRO 101 HB1 PRO 101 -8.267 11.785 -6.402 816 1HG PRO 101 HG2 PRO 101 -10.449 10.377 -6.853 817 2HG PRO 101 HG1 PRO 101 -9.111 10.319 -8.017 818 1HD PRO 101 HD2 PRO 101 -9.974 8.284 -6.020 819 2HD PRO 101 HD1 PRO 101 -9.254 8.057 -7.627 820 H GLY 102 HN GLY 102 -4.985 10.820 -5.412 821 1HA GLY 102 HA2 GLY 102 -5.398 10.705 -2.494 822 2HA GLY 102 HA1 GLY 102 -3.953 10.017 -3.215 823 H GLU 103 HN GLU 103 -3.400 11.742 -1.369 824 HA GLU 103 HA GLU 103 -2.234 13.972 -2.801 825 1HB GLU 103 HB2 GLU 103 -4.503 14.280 -0.940 826 2HB GLU 103 HB1 GLU 103 -3.147 15.356 -0.635 827 1HG GLU 103 HG2 GLU 103 -4.226 15.096 -3.401 828 2HG GLU 103 HG1 GLU 103 -5.079 16.083 -2.216 829 H TRP 104 HN TRP 104 -0.550 15.062 -1.520 830 HA TRP 104 HA TRP 104 0.874 13.185 0.104 831 1HB TRP 104 HB2 TRP 104 1.721 16.032 0.205 832 2HB TRP 104 HB1 TRP 104 2.680 14.591 -0.110 833 HD1 TRP 104 HD1 TRP 104 1.257 13.535 -2.714 834 HE1 TRP 104 HE1 TRP 104 1.470 14.848 -4.918 835 HE3 TRP 104 HE3 TRP 104 2.470 18.123 -0.813 836 HZ2 TRP 104 HZ2 TRP 104 2.073 17.481 -5.741 837 HZ3 TRP 104 HZ3 TRP 104 2.849 19.986 -2.375 838 HH2 TRP 104 HH2 TRP 104 2.654 19.669 -4.788 839 H MET 105 HN MET 105 0.084 12.694 2.052 840 HA MET 105 HA MET 105 -0.638 14.913 3.849 841 1HB MET 105 HB2 MET 105 -2.258 13.478 4.929 842 2HB MET 105 HB1 MET 105 -2.591 13.543 3.204 843 1HG MET 105 HG2 MET 105 -1.611 11.369 2.886 844 2HG MET 105 HG1 MET 105 -1.111 11.311 4.576 845 1HE MET 105 HE1 MET 105 -2.570 11.712 6.401 846 2HE MET 105 HE2 MET 105 -3.686 10.366 6.632 847 3HE MET 105 HE3 MET 105 -4.310 11.979 6.286 848 H SER 106 HN SER 106 0.009 14.778 6.012 849 HA SER 106 HA SER 106 2.490 13.477 6.453 850 1HB SER 106 HB2 SER 106 1.429 15.633 7.555 851 2HB SER 106 HB1 SER 106 0.842 14.470 8.744 852 HG SER 106 HG SER 106 3.133 13.757 8.808 853 H LEU 107 HN LEU 107 2.899 11.472 7.120 854 HA LEU 107 HA LEU 107 0.780 9.652 7.691 855 1HB LEU 107 HB2 LEU 107 3.027 9.146 6.579 856 2HB LEU 107 HB1 LEU 107 3.703 9.149 8.195 857 HG LEU 107 HG LEU 107 3.092 6.889 7.178 858 1HD1 LEU 107 1HD1 LEU 107 3.336 6.265 9.285 859 2HD1 LEU 107 2HD1 LEU 107 1.655 6.685 9.612 860 3HD1 LEU 107 3HD1 LEU 107 2.924 7.890 9.829 861 1HD2 LEU 107 1HD2 LEU 107 0.717 8.002 6.602 862 2HD2 LEU 107 2HD2 LEU 107 0.331 7.262 8.156 863 3HD2 LEU 107 3HD2 LEU 107 0.946 6.269 6.835 864 H VAL 108 HN VAL 108 2.722 11.722 9.623 865 HA VAL 108 HA VAL 108 2.846 10.376 12.044 866 HB VAL 108 HB VAL 108 3.985 12.510 11.630 867 1HG1 VAL 108 1HG1 VAL 108 1.336 13.872 12.044 868 2HG1 VAL 108 2HG1 VAL 108 2.007 13.543 10.446 869 3HG1 VAL 108 3HG1 VAL 108 2.873 14.594 11.566 870 1HG2 VAL 108 1HG2 VAL 108 2.114 12.582 13.995 871 2HG2 VAL 108 2HG2 VAL 108 3.596 13.523 13.828 872 3HG2 VAL 108 3HG2 VAL 108 3.675 11.764 13.926 873 H GLY 109 HN GLY 109 0.083 11.620 10.415 874 1HA GLY 109 HA2 GLY 109 -1.509 11.333 12.882 875 2HA GLY 109 HA1 GLY 109 -1.938 12.396 11.553 876 H LEU 110 HN LEU 110 -0.778 9.074 11.260 877 HA LEU 110 HA LEU 110 -2.823 8.328 9.471 878 1HB LEU 110 HB2 LEU 110 -0.479 7.271 9.985 879 2HB LEU 110 HB1 LEU 110 -1.372 6.324 11.156 880 HG LEU 110 HG LEU 110 -2.722 5.331 9.434 881 1HD1 LEU 110 1HD1 LEU 110 -1.621 7.536 7.804 882 2HD1 LEU 110 2HD1 LEU 110 -3.217 6.786 7.775 883 3HD1 LEU 110 3HD1 LEU 110 -1.853 5.987 6.992 884 1HD2 LEU 110 1HD2 LEU 110 -0.931 4.272 8.030 885 2HD2 LEU 110 2HD2 LEU 110 -0.653 4.208 9.771 886 3HD2 LEU 110 3HD2 LEU 110 0.217 5.381 8.783 887 H ASN 111 HN ASN 111 -4.870 7.634 9.815 888 HA ASN 111 HA ASN 111 -5.602 6.930 12.574 889 1HB ASN 111 HB2 ASN 111 -6.567 9.046 10.934 890 2HB ASN 111 HB1 ASN 111 -7.883 7.908 11.196 891 1HD2 ASN 111 1HD2 ASN 111 -7.386 7.003 13.708 892 2HD2 ASN 111 2HD2 ASN 111 -7.518 8.300 14.842 893 H ALA 112 HN ALA 112 -6.752 5.167 12.944 894 HA ALA 112 HA ALA 112 -7.122 3.263 10.852 895 1HB ALA 112 HB1 ALA 112 -6.641 2.900 13.401 896 2HB ALA 112 HB2 ALA 112 -7.611 1.731 12.503 897 3HB ALA 112 HB3 ALA 112 -8.399 2.930 13.530 898 H ASP 113 HN ASP 113 -8.997 5.831 12.069 899 HA ASP 113 HA ASP 113 -11.583 4.712 11.510 900 1HB ASP 113 HB2 ASP 113 -11.057 6.537 13.214 901 2HB ASP 113 HB1 ASP 113 -10.947 7.639 11.845 902 H ASP 114 HN ASP 114 -9.533 7.170 9.943 903 HA ASP 114 HA ASP 114 -11.307 7.619 7.779 904 1HB ASP 114 HB2 ASP 114 -8.702 8.274 6.911 905 2HB ASP 114 HB1 ASP 114 -9.952 9.363 7.486 906 H PHE 115 HN PHE 115 -8.736 5.328 8.308 907 HA PHE 115 HA PHE 115 -8.704 4.503 5.521 908 1HB PHE 115 HB2 PHE 115 -6.707 3.528 6.005 909 2HB PHE 115 HB1 PHE 115 -6.777 4.526 7.459 910 HD1 PHE 115 HD1 PHE 115 -5.752 1.504 6.545 911 HD2 PHE 115 HD2 PHE 115 -8.644 3.210 9.128 912 HE1 PHE 115 HE1 PHE 115 -5.707 -0.518 7.930 913 HE2 PHE 115 HE2 PHE 115 -8.606 1.194 10.535 914 HZ PHE 115 HZ PHE 115 -7.137 -0.678 9.929 915 HA PRO 116 HA PRO 116 -11.377 0.991 5.988 916 1HB PRO 116 HB2 PRO 116 -10.138 -1.043 4.739 917 2HB PRO 116 HB1 PRO 116 -10.735 0.367 3.855 918 1HG PRO 116 HG2 PRO 116 -7.952 -0.277 4.738 919 2HG PRO 116 HG1 PRO 116 -8.508 0.414 3.204 920 1HD PRO 116 HD2 PRO 116 -7.455 1.892 5.259 921 2HD PRO 116 HD1 PRO 116 -8.582 2.539 4.053 922 HA PRO 117 HA PRO 117 -10.127 -0.903 9.857 923 1HB PRO 117 HB2 PRO 117 -12.194 -2.754 9.919 924 2HB PRO 117 HB1 PRO 117 -12.282 -1.100 10.530 925 1HG PRO 117 HG2 PRO 117 -13.203 -2.206 7.913 926 2HG PRO 117 HG1 PRO 117 -13.978 -1.002 8.959 927 1HD PRO 117 HD2 PRO 117 -12.665 -0.274 6.747 928 2HD PRO 117 HD1 PRO 117 -12.588 0.709 8.224 929 H ALA 118 HN ALA 118 -10.355 -2.527 6.830 930 HA ALA 118 HA ALA 118 -9.790 -5.159 7.604 931 1HB ALA 118 HB1 ALA 118 -8.652 -4.255 5.044 932 2HB ALA 118 HB2 ALA 118 -10.380 -3.980 5.265 933 3HB ALA 118 HB3 ALA 118 -9.722 -5.610 5.402 934 H ASN 119 HN ASN 119 -7.770 -2.447 7.888 935 HA ASN 119 HA ASN 119 -5.460 -4.225 8.247 936 1HB ASN 119 HB2 ASN 119 -5.748 -2.196 6.224 937 2HB ASN 119 HB1 ASN 119 -4.437 -1.755 7.310 938 1HD2 ASN 119 1HD2 ASN 119 -3.549 -4.319 7.988 939 2HD2 ASN 119 2HD2 ASN 119 -2.837 -5.036 6.587 940 H GLU 120 HN GLU 120 -7.026 -3.385 10.349 941 HA GLU 120 HA GLU 120 -6.075 -0.960 11.510 942 1HB GLU 120 HB2 GLU 120 -8.137 -2.788 12.042 943 2HB GLU 120 HB1 GLU 120 -7.121 -2.788 13.477 944 1HG GLU 120 HG2 GLU 120 -7.365 -0.408 13.709 945 2HG GLU 120 HG1 GLU 120 -8.257 -0.318 12.192 946 HA PRO 121 HA PRO 121 -3.668 -4.184 14.466 947 1HB PRO 121 HB2 PRO 121 -3.068 -5.996 12.161 948 2HB PRO 121 HB1 PRO 121 -3.226 -6.381 13.879 949 1HG PRO 121 HG2 PRO 121 -5.205 -6.919 12.178 950 2HG PRO 121 HG1 PRO 121 -5.544 -6.329 13.814 951 1HD PRO 121 HD2 PRO 121 -5.748 -4.914 11.210 952 2HD PRO 121 HD1 PRO 121 -6.671 -4.670 12.707 953 H VAL 122 HN VAL 122 -3.014 -3.532 11.072 954 HA VAL 122 HA VAL 122 -0.178 -3.268 11.414 955 HB VAL 122 HB VAL 122 -1.868 -2.303 9.103 956 1HG1 VAL 122 1HG1 VAL 122 1.061 -2.697 9.539 957 2HG1 VAL 122 2HG1 VAL 122 0.209 -1.342 8.799 958 3HG1 VAL 122 3HG1 VAL 122 0.378 -2.862 7.921 959 1HG2 VAL 122 1HG2 VAL 122 -2.287 -4.664 9.486 960 2HG2 VAL 122 2HG2 VAL 122 -0.554 -4.984 9.519 961 3HG2 VAL 122 3HG2 VAL 122 -1.323 -4.442 8.027 962 H ILE 123 HN ILE 123 -2.864 -1.024 10.788 963 HA ILE 123 HA ILE 123 -1.310 1.324 10.968 964 HB ILE 123 HB ILE 123 -4.277 0.981 11.425 965 1HG1 ILE 123 2HG1 ILE 123 -3.308 0.292 9.171 966 2HG1 ILE 123 1HG1 ILE 123 -4.573 1.515 9.135 967 1HG2 ILE 123 1HG2 ILE 123 -3.749 3.054 12.363 968 2HG2 ILE 123 2HG2 ILE 123 -4.244 3.448 10.717 969 3HG2 ILE 123 3HG2 ILE 123 -2.530 3.399 11.134 970 1HD1 ILE 123 1HD1 ILE 123 -1.992 1.646 8.031 971 2HD1 ILE 123 2HD1 ILE 123 -2.061 2.820 9.345 972 3HD1 ILE 123 3HD1 ILE 123 -3.245 2.887 8.040 973 H ALA 124 HN ALA 124 -2.877 -0.679 13.363 974 HA ALA 124 HA ALA 124 -3.055 1.092 15.495 975 1HB ALA 124 HB1 ALA 124 -3.233 -0.773 16.897 976 2HB ALA 124 HB2 ALA 124 -2.199 -1.761 15.866 977 3HB ALA 124 HB3 ALA 124 -3.830 -1.348 15.340 978 H LYS 125 HN LYS 125 -0.282 -0.505 14.104 979 HA LYS 125 HA LYS 125 1.483 0.157 16.290 980 1HB LYS 125 HB2 LYS 125 1.585 -1.726 14.354 981 2HB LYS 125 HB1 LYS 125 2.635 -0.504 13.648 982 1HG LYS 125 HG2 LYS 125 3.462 -0.697 16.296 983 2HG LYS 125 HG1 LYS 125 3.148 -2.359 15.796 984 1HD LYS 125 HD2 LYS 125 5.431 -1.873 15.294 985 2HD LYS 125 HD1 LYS 125 4.549 -1.923 13.766 986 1HE LYS 125 HE2 LYS 125 4.318 0.700 14.410 987 2HE LYS 125 HE1 LYS 125 5.893 0.323 15.107 988 1HZ LYS 125 HZ1 LYS 125 5.736 1.087 12.662 989 2HZ LYS 125 HZ2 LYS 125 5.271 -0.510 12.352 990 3HZ LYS 125 HZ3 LYS 125 6.775 -0.190 13.058 991 H LEU 126 HN LEU 126 1.019 1.326 12.971 992 HA LEU 126 HA LEU 126 2.973 3.409 13.236 993 1HB LEU 126 HB2 LEU 126 2.169 2.146 11.108 994 2HB LEU 126 HB1 LEU 126 0.876 3.330 11.099 995 HG LEU 126 HG LEU 126 2.439 5.139 10.832 996 1HD1 LEU 126 1HD1 LEU 126 4.439 4.940 11.787 997 2HD1 LEU 126 2HD1 LEU 126 4.919 4.006 10.371 998 3HD1 LEU 126 3HD1 LEU 126 4.337 3.180 11.816 999 1HD2 LEU 126 1HD2 LEU 126 3.743 4.069 8.748 1000 2HD2 LEU 126 2HD2 LEU 126 2.031 4.493 8.704 1001 3HD2 LEU 126 3HD2 LEU 126 2.520 2.824 9.000 1002 H LYS 127 HN LYS 127 -0.351 3.089 13.981 1003 HA LYS 127 HA LYS 127 -1.125 5.809 13.700 1004 1HB LYS 127 HB2 LYS 127 -2.698 3.929 13.776 1005 2HB LYS 127 HB1 LYS 127 -2.290 3.647 15.455 1006 1HG LYS 127 HG2 LYS 127 -3.323 5.610 16.162 1007 2HG LYS 127 HG1 LYS 127 -3.350 6.291 14.534 1008 1HD LYS 127 HD2 LYS 127 -5.483 5.595 14.489 1009 2HD LYS 127 HD1 LYS 127 -4.796 3.992 14.215 1010 1HE LYS 127 HE2 LYS 127 -5.380 5.128 16.944 1011 2HE LYS 127 HE1 LYS 127 -6.505 4.112 16.044 1012 1HZ LYS 127 HZ1 LYS 127 -4.601 2.455 15.950 1013 2HZ LYS 127 HZ2 LYS 127 -5.369 2.657 17.444 1014 3HZ LYS 127 HZ3 LYS 127 -3.868 3.383 17.161 1015 H ARG 128 HN ARG 128 0.030 3.827 16.379 1016 HA ARG 128 HA ARG 128 -0.180 5.857 18.350 1017 1HB ARG 128 HB2 ARG 128 -0.051 3.437 18.876 1018 2HB ARG 128 HB1 ARG 128 1.612 3.421 18.309 1019 1HG ARG 128 HG2 ARG 128 1.440 5.484 20.212 1020 2HG ARG 128 HG1 ARG 128 0.587 4.097 20.888 1021 1HD ARG 128 HD2 ARG 128 2.762 3.724 21.578 1022 2HD ARG 128 HD1 ARG 128 2.662 2.756 20.108 1023 HE ARG 128 HE ARG 128 3.619 5.410 19.627 1024 1HH1 ARG 128 1HH1 ARG 128 4.555 2.208 20.652 1025 2HH1 ARG 128 2HH1 ARG 128 6.208 2.404 20.175 1026 1HH2 ARG 128 1HH2 ARG 128 5.793 5.668 18.998 1027 2HH2 ARG 128 2HH2 ARG 128 6.911 4.367 19.235 1028 H LEU 129 HN LEU 129 1.834 5.506 15.684 1029 HA LEU 129 HA LEU 129 4.308 6.418 16.686 1030 1HB LEU 129 HB2 LEU 129 4.942 6.163 14.575 1031 2HB LEU 129 HB1 LEU 129 3.295 5.708 14.203 1032 HG LEU 129 HG LEU 129 4.337 8.531 14.069 1033 1HD1 LEU 129 1HD1 LEU 129 5.333 6.805 12.444 1034 2HD1 LEU 129 2HD1 LEU 129 4.674 8.301 11.781 1035 3HD1 LEU 129 3HD1 LEU 129 3.736 6.809 11.695 1036 1HD2 LEU 129 1HD2 LEU 129 2.267 9.189 13.527 1037 2HD2 LEU 129 2HD2 LEU 129 1.748 7.666 14.248 1038 3HD2 LEU 129 3HD2 LEU 129 1.987 7.779 12.504 1039 1HO1 MO2 130 1HO1 MO2 130 -4.284 -0.803 -9.620 1040 2HO1 MO2 130 2HO1 MO2 130 -3.240 -4.417 -11.929 1041 1HO2 MO2 130 1HO2 MO2 130 -4.948 -1.942 -8.879 1042 2HO2 MO2 130 2HO2 MO2 130 -4.479 -4.281 -11.073 1043 1H5* 8OG 131 1H5* ODG 131 -8.650 -4.735 -5.444 1044 2H5* 8OG 131 2H5* ODG 131 -7.811 -3.675 -4.346 1045 H4* 8OG 131 1H4* ODG 131 -7.810 -5.461 -2.670 1046 H3* 8OG 131 1H3* ODG 131 -8.802 -7.089 -4.765 1047 1H2* 8OG 131 1H2* ODG 131 -10.955 -7.379 -4.237 1048 2H2* 8OG 131 2H2* ODG 131 -10.513 -7.816 -2.601 1049 H1* 8OG 131 1H1* ODG 131 -11.183 -5.857 -1.824 1050 H1 8OG 131 H1 ODG 131 -16.782 -3.862 -1.500 1051 H7 8OG 131 H7 ODG 131 -14.290 -4.737 -5.731 1052 1H2 8OG 131 H21 ODG 131 -14.491 -4.511 1.061 1053 2H2 8OG 131 H22 ODG 131 -16.100 -4.022 0.652 1054 H3T 8OG 131 *HO1 ODG 131 -8.371 -8.749 -3.196 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -12.010 -22.873 -0.772 2 2H MET 1 HT2 MET 1 -12.027 -21.704 -2.029 3 3H MET 1 HT3 MET 1 -11.729 -21.221 -0.409 4 HA MET 1 HA MET 1 -9.664 -22.170 -0.361 5 1HB MET 1 HB2 MET 1 -10.826 -24.140 -1.843 6 2HB MET 1 HB1 MET 1 -9.784 -23.393 -3.045 7 1HG MET 1 HG2 MET 1 -8.188 -24.718 -2.258 8 2HG MET 1 HG1 MET 1 -8.123 -23.621 -0.881 9 1HE MET 1 HE1 MET 1 -9.169 -26.867 -2.384 10 2HE MET 1 HE2 MET 1 -9.415 -27.933 -1.000 11 3HE MET 1 HE3 MET 1 -7.813 -27.279 -1.336 12 H LYS 2 HN LYS 2 -10.907 -19.765 -1.495 13 HA LYS 2 HA LYS 2 -9.179 -19.119 -3.757 14 1HB LYS 2 HB2 LYS 2 -11.650 -17.973 -2.583 15 2HB LYS 2 HB1 LYS 2 -10.539 -16.836 -3.333 16 1HG LYS 2 HG2 LYS 2 -10.926 -17.616 -5.423 17 2HG LYS 2 HG1 LYS 2 -11.203 -19.271 -4.874 18 1HD LYS 2 HD2 LYS 2 -13.382 -18.499 -3.915 19 2HD LYS 2 HD1 LYS 2 -13.106 -16.939 -4.694 20 1HE LYS 2 HE2 LYS 2 -12.853 -19.332 -6.409 21 2HE LYS 2 HE1 LYS 2 -14.477 -18.948 -5.836 22 1HZ LYS 2 HZ1 LYS 2 -12.782 -16.865 -7.058 23 2HZ LYS 2 HZ2 LYS 2 -14.468 -16.919 -6.924 24 3HZ LYS 2 HZ3 LYS 2 -13.675 -17.926 -8.029 25 H LYS 3 HN LYS 3 -7.469 -17.770 -3.658 26 HA LYS 3 HA LYS 3 -6.930 -16.423 -1.095 27 1HB LYS 3 HB2 LYS 3 -4.518 -16.902 -1.452 28 2HB LYS 3 HB1 LYS 3 -5.484 -18.352 -1.213 29 1HG LYS 3 HG2 LYS 3 -4.461 -19.140 -3.023 30 2HG LYS 3 HG1 LYS 3 -5.510 -18.057 -3.939 31 1HD LYS 3 HD2 LYS 3 -3.558 -17.270 -4.749 32 2HD LYS 3 HD1 LYS 3 -3.534 -16.352 -3.242 33 1HE LYS 3 HE2 LYS 3 -2.002 -17.785 -2.247 34 2HE LYS 3 HE1 LYS 3 -2.369 -19.105 -3.356 35 1HZ LYS 3 HZ1 LYS 3 -0.258 -18.226 -3.938 36 2HZ LYS 3 HZ2 LYS 3 -0.835 -16.636 -3.950 37 3HZ LYS 3 HZ3 LYS 3 -1.342 -17.728 -5.138 38 H LEU 4 HN LEU 4 -5.918 -14.427 -1.192 39 HA LEU 4 HA LEU 4 -5.255 -13.317 -3.802 40 1HB LEU 4 HB2 LEU 4 -6.673 -11.385 -3.543 41 2HB LEU 4 HB1 LEU 4 -7.646 -12.843 -3.481 42 HG LEU 4 HG LEU 4 -7.150 -12.421 -0.829 43 1HD1 LEU 4 1HD1 LEU 4 -6.388 -10.032 -2.050 44 2HD1 LEU 4 2HD1 LEU 4 -6.693 -10.308 -0.336 45 3HD1 LEU 4 3HD1 LEU 4 -7.990 -9.722 -1.377 46 1HD2 LEU 4 1HD2 LEU 4 -9.424 -11.411 -2.532 47 2HD2 LEU 4 2HD2 LEU 4 -9.460 -11.504 -0.771 48 3HD2 LEU 4 3HD2 LEU 4 -9.305 -12.976 -1.728 49 H GLN 5 HN GLN 5 -3.426 -12.223 -3.656 50 HA GLN 5 HA GLN 5 -2.498 -11.348 -1.026 51 1HB GLN 5 HB2 GLN 5 -0.935 -11.714 -3.577 52 2HB GLN 5 HB1 GLN 5 -0.265 -11.330 -2.001 53 1HG GLN 5 HG2 GLN 5 -1.456 -13.512 -1.264 54 2HG GLN 5 HG1 GLN 5 -1.451 -13.871 -2.983 55 1HE2 GLN 5 1HE2 GLN 5 0.905 -12.995 -3.861 56 2HE2 GLN 5 2HE2 GLN 5 2.212 -13.802 -3.068 57 H ILE 6 HN ILE 6 -1.411 -9.339 -0.794 58 HA ILE 6 HA ILE 6 -1.807 -7.329 -2.864 59 HB ILE 6 HB ILE 6 -2.954 -7.092 -0.078 60 1HG1 ILE 6 2HG1 ILE 6 -4.895 -6.342 -1.866 61 2HG1 ILE 6 1HG1 ILE 6 -4.066 -7.622 -2.746 62 1HG2 ILE 6 1HG2 ILE 6 -1.875 -5.019 -0.628 63 2HG2 ILE 6 2HG2 ILE 6 -3.622 -4.810 -0.752 64 3HG2 ILE 6 3HG2 ILE 6 -2.649 -4.990 -2.213 65 1HD1 ILE 6 1HD1 ILE 6 -6.087 -8.112 -1.129 66 2HD1 ILE 6 2HD1 ILE 6 -4.800 -8.137 0.077 67 3HD1 ILE 6 3HD1 ILE 6 -4.739 -9.237 -1.300 68 H ALA 7 HN ALA 7 -0.138 -5.925 -2.936 69 HA ALA 7 HA ALA 7 1.654 -5.792 -0.590 70 1HB ALA 7 HB1 ALA 7 3.350 -5.259 -2.628 71 2HB ALA 7 HB2 ALA 7 2.271 -6.413 -3.405 72 3HB ALA 7 HB3 ALA 7 3.126 -6.862 -1.931 73 H VAL 8 HN VAL 8 1.878 -3.764 0.174 74 HA VAL 8 HA VAL 8 1.382 -1.557 -1.709 75 HB VAL 8 HB VAL 8 -0.303 -0.757 -0.516 76 1HG1 VAL 8 1HG1 VAL 8 -1.327 -2.159 1.260 77 2HG1 VAL 8 2HG1 VAL 8 0.085 -3.214 1.181 78 3HG1 VAL 8 3HG1 VAL 8 -0.965 -3.037 -0.226 79 1HG2 VAL 8 1HG2 VAL 8 1.470 -1.016 1.910 80 2HG2 VAL 8 2HG2 VAL 8 -0.123 -0.262 1.928 81 3HG2 VAL 8 3HG2 VAL 8 1.168 0.433 0.949 82 H GLY 9 HN GLY 9 2.238 0.529 -1.037 83 1HA GLY 9 HA2 GLY 9 4.502 0.430 0.810 84 2HA GLY 9 HA1 GLY 9 4.838 0.833 -0.866 85 H ILE 10 HN ILE 10 4.219 2.126 2.109 86 HA ILE 10 HA ILE 10 2.636 4.396 1.348 87 HB ILE 10 HB ILE 10 4.073 5.121 3.643 88 1HG1 ILE 10 2HG1 ILE 10 3.239 2.221 3.835 89 2HG1 ILE 10 1HG1 ILE 10 4.900 2.809 3.847 90 1HG2 ILE 10 1HG2 ILE 10 2.016 5.410 4.494 91 2HG2 ILE 10 2HG2 ILE 10 1.497 3.779 4.071 92 3HG2 ILE 10 3HG2 ILE 10 1.501 5.049 2.847 93 1HD1 ILE 10 1HD1 ILE 10 3.485 4.199 5.860 94 2HD1 ILE 10 2HD1 ILE 10 4.791 3.027 6.038 95 3HD1 ILE 10 3HD1 ILE 10 3.113 2.483 6.019 96 H ILE 11 HN ILE 11 3.596 5.501 -0.336 97 HA ILE 11 HA ILE 11 6.370 6.149 -0.309 98 HB ILE 11 HB ILE 11 5.627 7.598 -2.291 99 1HG1 ILE 11 2HG1 ILE 11 3.266 5.794 -2.427 100 2HG1 ILE 11 1HG1 ILE 11 3.148 7.283 -1.492 101 1HG2 ILE 11 1HG2 ILE 11 5.993 5.823 -3.731 102 2HG2 ILE 11 2HG2 ILE 11 5.124 4.690 -2.698 103 3HG2 ILE 11 3HG2 ILE 11 6.720 5.266 -2.224 104 1HD1 ILE 11 1HD1 ILE 11 2.345 7.820 -3.626 105 2HD1 ILE 11 2HD1 ILE 11 3.659 6.961 -4.428 106 3HD1 ILE 11 3HD1 ILE 11 3.984 8.468 -3.572 107 H ARG 12 HN ARG 12 7.163 7.643 0.963 108 HA ARG 12 HA ARG 12 5.558 9.918 1.795 109 1HB ARG 12 HB2 ARG 12 6.689 9.654 3.700 110 2HB ARG 12 HB1 ARG 12 7.631 8.368 2.970 111 1HG ARG 12 HG2 ARG 12 9.421 9.621 3.319 112 2HG ARG 12 HG1 ARG 12 8.841 10.706 2.062 113 1HD ARG 12 HD2 ARG 12 8.620 12.311 3.577 114 2HD ARG 12 HD1 ARG 12 7.419 11.337 4.419 115 HE ARG 12 HE ARG 12 10.192 11.709 5.146 116 1HH1 ARG 12 1HH1 ARG 12 7.316 9.772 5.569 117 2HH1 ARG 12 2HH1 ARG 12 7.821 9.136 7.098 118 1HH2 ARG 12 1HH2 ARG 12 10.853 10.871 7.155 119 2HH2 ARG 12 2HH2 ARG 12 9.826 9.758 7.997 120 H ASN 13 HN ASN 13 6.393 12.130 1.608 121 HA ASN 13 HA ASN 13 8.199 12.448 -0.695 122 1HB ASN 13 HB2 ASN 13 6.759 14.590 -1.108 123 2HB ASN 13 HB1 ASN 13 6.195 13.024 -1.661 124 1HD2 ASN 13 1HD2 ASN 13 5.545 15.732 0.244 125 2HD2 ASN 13 2HD2 ASN 13 4.088 15.173 0.982 126 H GLU 14 HN GLU 14 8.509 15.018 -0.906 127 HA GLU 14 HA GLU 14 10.493 15.740 0.846 128 1HB GLU 14 HB2 GLU 14 10.268 16.698 -1.355 129 2HB GLU 14 HB1 GLU 14 8.728 17.432 -0.910 130 1HG GLU 14 HG2 GLU 14 10.919 18.229 0.839 131 2HG GLU 14 HG1 GLU 14 11.198 18.647 -0.851 132 H ASN 15 HN ASN 15 7.118 16.124 1.273 133 HA ASN 15 HA ASN 15 7.495 18.111 3.385 134 1HB ASN 15 HB2 ASN 15 5.654 18.184 1.526 135 2HB ASN 15 HB1 ASN 15 4.813 17.045 2.574 136 1HD2 ASN 15 1HD2 ASN 15 4.004 19.700 1.860 137 2HD2 ASN 15 2HD2 ASN 15 3.898 20.607 3.327 138 H ASN 16 HN ASN 16 8.362 15.351 3.719 139 HA ASN 16 HA ASN 16 8.182 13.568 5.146 140 1HB ASN 16 HB2 ASN 16 7.916 14.170 7.480 141 2HB ASN 16 HB1 ASN 16 8.859 15.414 6.667 142 1HD2 ASN 16 1HD2 ASN 16 5.710 14.605 7.964 143 2HD2 ASN 16 2HD2 ASN 16 5.167 16.232 8.172 144 H GLU 17 HN GLU 17 5.873 14.154 3.486 145 HA GLU 17 HA GLU 17 3.733 12.981 5.128 146 1HB GLU 17 HB2 GLU 17 3.676 14.961 2.877 147 2HB GLU 17 HB1 GLU 17 2.270 13.971 3.211 148 1HG GLU 17 HG2 GLU 17 1.666 15.275 4.896 149 2HG GLU 17 HG1 GLU 17 3.266 15.175 5.626 150 H ILE 18 HN ILE 18 2.288 11.505 3.934 151 HA ILE 18 HA ILE 18 3.776 10.059 1.849 152 HB ILE 18 HB ILE 18 3.445 8.933 4.094 153 1HG1 ILE 18 2HG1 ILE 18 4.024 7.725 2.014 154 2HG1 ILE 18 1HG1 ILE 18 3.071 6.756 3.122 155 1HG2 ILE 18 1HG2 ILE 18 1.197 7.769 4.281 156 2HG2 ILE 18 2HG2 ILE 18 0.610 8.976 3.146 157 3HG2 ILE 18 3HG2 ILE 18 1.261 9.479 4.698 158 1HD1 ILE 18 1HD1 ILE 18 1.846 6.266 1.332 159 2HD1 ILE 18 2HD1 ILE 18 2.478 7.629 0.410 160 3HD1 ILE 18 3HD1 ILE 18 1.148 7.870 1.542 161 H PHE 19 HN PHE 19 2.817 9.562 -0.030 162 HA PHE 19 HA PHE 19 0.242 10.780 -0.592 163 1HB PHE 19 HB2 PHE 19 2.104 11.108 -2.156 164 2HB PHE 19 HB1 PHE 19 2.224 9.370 -2.394 165 HD1 PHE 19 HD1 PHE 19 0.421 8.165 -3.601 166 HD2 PHE 19 HD2 PHE 19 0.505 12.409 -3.309 167 HE1 PHE 19 HE1 PHE 19 -1.160 8.320 -5.479 168 HE2 PHE 19 HE2 PHE 19 -1.076 12.572 -5.186 169 HZ PHE 19 HZ PHE 19 -1.911 10.527 -6.272 170 H ILE 20 HN ILE 20 -1.287 9.464 0.385 171 HA ILE 20 HA ILE 20 -1.427 6.690 -0.596 172 HB ILE 20 HB ILE 20 -3.215 6.952 1.556 173 1HG1 ILE 20 2HG1 ILE 20 -0.504 7.852 2.480 174 2HG1 ILE 20 1HG1 ILE 20 -1.770 9.011 2.096 175 1HG2 ILE 20 1HG2 ILE 20 -0.604 5.727 2.105 176 2HG2 ILE 20 2HG2 ILE 20 -1.427 5.152 0.656 177 3HG2 ILE 20 3HG2 ILE 20 -2.227 5.047 2.224 178 1HD1 ILE 20 1HD1 ILE 20 -2.647 6.887 3.882 179 2HD1 ILE 20 2HD1 ILE 20 -2.836 8.636 4.012 180 3HD1 ILE 20 3HD1 ILE 20 -1.336 7.870 4.534 181 H THR 21 HN THR 21 -3.657 5.840 -0.854 182 HA THR 21 HA THR 21 -5.238 7.635 -2.412 183 HB THR 21 HB THR 21 -6.690 5.762 -2.799 184 HG1 THR 21 HG1 THR 21 -6.679 3.962 -1.542 185 1HG2 THR 21 1HG2 THR 21 -4.514 3.952 -2.705 186 2HG2 THR 21 2HG2 THR 21 -3.899 5.537 -3.174 187 3HG2 THR 21 3HG2 THR 21 -5.201 4.786 -4.099 188 H ARG 22 HN ARG 22 -6.921 8.868 -1.801 189 HA ARG 22 HA ARG 22 -8.139 8.345 0.827 190 1HB ARG 22 HB2 ARG 22 -6.449 10.431 0.401 191 2HB ARG 22 HB1 ARG 22 -7.991 11.172 -0.008 192 1HG ARG 22 HG2 ARG 22 -8.553 9.860 2.337 193 2HG ARG 22 HG1 ARG 22 -6.901 10.426 2.584 194 1HD ARG 22 HD2 ARG 22 -7.515 12.596 2.637 195 2HD ARG 22 HD1 ARG 22 -8.738 12.387 1.386 196 HE ARG 22 HE ARG 22 -9.818 11.128 3.522 197 1HH1 ARG 22 1HH1 ARG 22 -8.464 14.311 3.063 198 2HH1 ARG 22 2HH1 ARG 22 -9.477 15.051 4.256 199 1HH2 ARG 22 1HH2 ARG 22 -11.152 12.099 5.091 200 2HH2 ARG 22 2HH2 ARG 22 -11.003 13.795 5.409 201 H ARG 23 HN ARG 23 -10.292 8.242 0.797 202 HA ARG 23 HA ARG 23 -12.421 8.224 -0.014 203 1HB ARG 23 HB2 ARG 23 -11.522 10.877 -1.151 204 2HB ARG 23 HB1 ARG 23 -13.195 10.342 -1.055 205 1HG ARG 23 HG2 ARG 23 -12.405 10.039 1.520 206 2HG ARG 23 HG1 ARG 23 -11.433 11.423 1.021 207 1HD ARG 23 HD2 ARG 23 -14.417 11.209 0.650 208 2HD ARG 23 HD1 ARG 23 -13.637 12.036 1.999 209 HE ARG 23 HE ARG 23 -12.776 12.953 -0.589 210 1HH1 ARG 23 1HH1 ARG 23 -15.149 13.329 1.943 211 2HH1 ARG 23 2HH1 ARG 23 -15.548 14.954 1.500 212 1HH2 ARG 23 1HH2 ARG 23 -13.299 15.091 -1.173 213 2HH2 ARG 23 2HH2 ARG 23 -14.498 15.955 -0.270 214 H ALA 24 HN ALA 24 -12.104 10.064 -2.824 215 HA ALA 24 HA ALA 24 -11.009 8.379 -4.700 216 1HB ALA 24 HB1 ALA 24 -13.716 7.760 -5.326 217 2HB ALA 24 HB2 ALA 24 -13.401 7.260 -3.664 218 3HB ALA 24 HB3 ALA 24 -12.385 6.658 -4.973 219 H ALA 25 HN ALA 25 -12.131 8.705 -6.961 220 HA ALA 25 HA ALA 25 -12.782 11.566 -7.130 221 1HB ALA 25 HB1 ALA 25 -11.651 9.669 -9.182 222 2HB ALA 25 HB2 ALA 25 -10.813 10.990 -8.368 223 3HB ALA 25 HB3 ALA 25 -12.104 11.341 -9.517 224 H ASP 26 HN ASP 26 -13.922 8.367 -7.946 225 HA ASP 26 HA ASP 26 -16.330 9.546 -9.163 226 1HB ASP 26 HB2 ASP 26 -16.679 7.317 -10.201 227 2HB ASP 26 HB1 ASP 26 -15.165 8.069 -10.695 228 H ALA 27 HN ALA 27 -15.187 7.047 -6.929 229 HA ALA 27 HA ALA 27 -17.912 6.755 -5.882 230 1HB ALA 27 HB1 ALA 27 -16.580 4.870 -4.548 231 2HB ALA 27 HB2 ALA 27 -15.520 5.012 -5.950 232 3HB ALA 27 HB3 ALA 27 -17.224 4.612 -6.169 233 H HIS 28 HN HIS 28 -17.638 6.058 -3.351 234 HA HIS 28 HA HIS 28 -16.774 8.510 -2.085 235 1HB HIS 28 HB2 HIS 28 -18.540 6.262 -1.401 236 2HB HIS 28 HB1 HIS 28 -17.622 6.897 -0.040 237 HD1 HIS 28 HD1 HIS 28 -20.058 8.062 -2.695 238 HD2 HIS 28 HD2 HIS 28 -18.603 9.215 1.022 239 HE1 HIS 28 HE1 HIS 28 -21.464 10.029 -2.004 240 HE2 HIS 28 HE2 HIS 28 -20.508 10.764 0.208 241 H MET 29 HN MET 29 -16.413 5.242 -0.760 242 HA MET 29 HA MET 29 -14.691 4.249 0.351 243 1HB MET 29 HB2 MET 29 -13.276 5.588 -1.943 244 2HB MET 29 HB1 MET 29 -12.404 4.606 -0.774 245 1HG MET 29 HG2 MET 29 -12.875 2.858 -2.047 246 2HG MET 29 HG1 MET 29 -14.547 3.020 -1.513 247 1HE MET 29 HE1 MET 29 -14.750 1.688 -4.526 248 2HE MET 29 HE2 MET 29 -16.120 2.786 -4.693 249 3HE MET 29 HE3 MET 29 -15.723 2.107 -3.115 250 H ALA 30 HN ALA 30 -15.555 6.700 1.452 251 HA ALA 30 HA ALA 30 -13.450 8.461 2.080 252 1HB ALA 30 HB1 ALA 30 -14.981 9.031 4.067 253 2HB ALA 30 HB2 ALA 30 -16.111 7.894 3.333 254 3HB ALA 30 HB3 ALA 30 -15.584 9.317 2.435 255 H ASN 31 HN ASN 31 -14.689 5.578 3.715 256 HA ASN 31 HA ASN 31 -12.633 5.834 5.775 257 1HB ASN 31 HB2 ASN 31 -15.272 4.670 5.642 258 2HB ASN 31 HB1 ASN 31 -14.106 3.477 6.205 259 1HD2 ASN 31 1HD2 ASN 31 -14.460 3.366 8.319 260 2HD2 ASN 31 2HD2 ASN 31 -14.436 4.707 9.408 261 H LYS 32 HN LYS 32 -12.193 5.015 2.874 262 HA LYS 32 HA LYS 32 -10.907 2.433 3.417 263 1HB LYS 32 HB2 LYS 32 -12.508 3.357 1.174 264 2HB LYS 32 HB1 LYS 32 -10.955 2.712 0.658 265 1HG LYS 32 HG2 LYS 32 -11.479 0.681 2.069 266 2HG LYS 32 HG1 LYS 32 -13.119 1.319 2.202 267 1HD LYS 32 HD2 LYS 32 -13.299 -0.094 0.379 268 2HD LYS 32 HD1 LYS 32 -12.985 1.461 -0.394 269 1HE LYS 32 HE2 LYS 32 -10.458 0.457 0.076 270 2HE LYS 32 HE1 LYS 32 -11.388 -0.974 -0.369 271 1HZ LYS 32 HZ1 LYS 32 -10.628 1.318 -1.980 272 2HZ LYS 32 HZ2 LYS 32 -12.199 0.743 -2.232 273 3HZ LYS 32 HZ3 LYS 32 -10.878 -0.293 -2.435 274 H LEU 33 HN LEU 33 -9.871 5.121 3.914 275 HA LEU 33 HA LEU 33 -7.987 5.954 2.040 276 1HB LEU 33 HB2 LEU 33 -8.749 6.996 4.302 277 2HB LEU 33 HB1 LEU 33 -7.433 6.064 4.982 278 HG LEU 33 HG LEU 33 -7.177 8.192 2.859 279 1HD1 LEU 33 1HD1 LEU 33 -6.216 8.206 5.712 280 2HD1 LEU 33 2HD1 LEU 33 -7.696 8.990 5.159 281 3HD1 LEU 33 3HD1 LEU 33 -6.132 9.526 4.546 282 1HD2 LEU 33 1HD2 LEU 33 -4.745 7.901 3.223 283 2HD2 LEU 33 2HD2 LEU 33 -5.514 6.484 2.509 284 3HD2 LEU 33 3HD2 LEU 33 -5.094 6.491 4.222 285 H GLU 34 HN GLU 34 -7.181 3.927 1.171 286 HA GLU 34 HA GLU 34 -5.236 2.569 2.904 287 1HB GLU 34 HB2 GLU 34 -7.202 1.448 1.429 288 2HB GLU 34 HB1 GLU 34 -5.887 1.408 0.264 289 1HG GLU 34 HG2 GLU 34 -4.641 0.451 2.465 290 2HG GLU 34 HG1 GLU 34 -6.281 -0.136 2.727 291 H PHE 35 HN PHE 35 -3.630 1.388 1.039 292 HA PHE 35 HA PHE 35 -2.334 3.687 -0.264 293 1HB PHE 35 HB2 PHE 35 -0.599 1.410 0.425 294 2HB PHE 35 HB1 PHE 35 -0.317 3.135 0.604 295 HD1 PHE 35 HD1 PHE 35 -0.144 3.982 2.724 296 HD2 PHE 35 HD2 PHE 35 -2.381 0.417 2.123 297 HE1 PHE 35 HE1 PHE 35 -0.481 3.792 5.152 298 HE2 PHE 35 HE2 PHE 35 -2.729 0.221 4.548 299 HZ PHE 35 HZ PHE 35 -1.775 1.908 6.067 300 HA PRO 36 HA PRO 36 -2.283 1.632 -4.169 301 1HB PRO 36 HB2 PRO 36 0.315 2.077 -4.968 302 2HB PRO 36 HB1 PRO 36 -0.978 3.274 -5.086 303 1HG PRO 36 HG2 PRO 36 1.147 2.978 -3.005 304 2HG PRO 36 HG1 PRO 36 0.516 4.453 -3.761 305 1HD PRO 36 HD2 PRO 36 -0.241 3.705 -1.299 306 2HD PRO 36 HD1 PRO 36 -1.376 4.479 -2.423 307 H GLY 37 HN GLY 37 -1.155 -0.149 -5.388 308 1HA GLY 37 HA2 GLY 37 0.413 -1.972 -5.369 309 2HA GLY 37 HA1 GLY 37 0.504 -1.812 -3.641 310 H GLY 38 HN GLY 38 -2.002 -2.322 -6.007 311 1HA GLY 38 HA2 GLY 38 -2.981 -4.619 -4.437 312 2HA GLY 38 HA1 GLY 38 -4.068 -3.484 -5.231 313 H LYS 39 HN LYS 39 -3.139 -6.508 -5.495 314 HA LYS 39 HA LYS 39 -3.746 -7.885 -7.294 315 1HB LYS 39 HB2 LYS 39 -4.450 -5.955 -8.695 316 2HB LYS 39 HB1 LYS 39 -2.765 -5.698 -9.129 317 1HG LYS 39 HG2 LYS 39 -2.841 -7.252 -10.698 318 2HG LYS 39 HG1 LYS 39 -3.539 -8.432 -9.588 319 1HD LYS 39 HD2 LYS 39 -5.258 -6.257 -10.705 320 2HD LYS 39 HD1 LYS 39 -4.873 -7.661 -11.702 321 1HE LYS 39 HE2 LYS 39 -6.220 -9.016 -10.523 322 2HE LYS 39 HE1 LYS 39 -5.722 -8.323 -8.980 323 1HZ LYS 39 HZ1 LYS 39 -7.816 -7.542 -9.003 324 2HZ LYS 39 HZ2 LYS 39 -7.966 -7.626 -10.686 325 3HZ LYS 39 HZ3 LYS 39 -7.159 -6.321 -9.974 326 H ILE 40 HN ILE 40 -0.979 -6.793 -6.056 327 HA ILE 40 HA ILE 40 1.054 -7.573 -7.772 328 HB ILE 40 HB ILE 40 2.519 -7.635 -5.964 329 1HG1 ILE 40 2HG1 ILE 40 0.616 -7.732 -3.733 330 2HG1 ILE 40 1HG1 ILE 40 0.619 -9.200 -4.700 331 1HG2 ILE 40 1HG2 ILE 40 2.218 -5.551 -5.179 332 2HG2 ILE 40 2HG2 ILE 40 0.593 -5.893 -4.590 333 3HG2 ILE 40 3HG2 ILE 40 0.855 -5.546 -6.296 334 1HD1 ILE 40 1HD1 ILE 40 2.285 -8.732 -2.640 335 2HD1 ILE 40 2HD1 ILE 40 3.274 -8.186 -3.996 336 3HD1 ILE 40 3HD1 ILE 40 2.635 -9.830 -3.975 337 H GLU 41 HN GLU 41 -1.182 -9.420 -5.988 338 HA GLU 41 HA GLU 41 -0.058 -11.853 -5.595 339 1HB GLU 41 HB2 GLU 41 -2.425 -12.738 -6.332 340 2HB GLU 41 HB1 GLU 41 -2.230 -11.785 -4.876 341 1HG GLU 41 HG2 GLU 41 -3.645 -10.272 -5.621 342 2HG GLU 41 HG1 GLU 41 -2.695 -10.019 -7.074 343 H MET 42 HN MET 42 -2.199 -11.635 -8.390 344 HA MET 42 HA MET 42 -2.135 -12.892 -10.329 345 1HB MET 42 HB2 MET 42 0.311 -11.134 -10.391 346 2HB MET 42 HB1 MET 42 -0.201 -12.078 -11.784 347 1HG MET 42 HG2 MET 42 -1.877 -10.006 -10.387 348 2HG MET 42 HG1 MET 42 -0.961 -9.745 -11.871 349 1HE MET 42 HE1 MET 42 -1.060 -11.717 -13.624 350 2HE MET 42 HE2 MET 42 -2.605 -12.089 -14.387 351 3HE MET 42 HE3 MET 42 -1.993 -13.116 -13.091 352 H GLY 43 HN GLY 43 1.377 -12.780 -10.013 353 1HA GLY 43 HA2 GLY 43 1.663 -15.479 -9.128 354 2HA GLY 43 HA1 GLY 43 1.872 -15.339 -10.859 355 H GLU 44 HN GLU 44 2.768 -12.811 -8.674 356 HA GLU 44 HA GLU 44 5.530 -13.054 -9.574 357 1HB GLU 44 HB2 GLU 44 3.889 -10.903 -8.332 358 2HB GLU 44 HB1 GLU 44 5.628 -10.860 -8.075 359 1HG GLU 44 HG2 GLU 44 5.545 -9.628 -9.960 360 2HG GLU 44 HG1 GLU 44 5.630 -11.223 -10.707 361 H THR 45 HN THR 45 7.109 -12.179 -7.687 362 HA THR 45 HA THR 45 6.787 -14.124 -5.505 363 HB THR 45 HB THR 45 9.413 -12.917 -5.650 364 HG1 THR 45 HG1 THR 45 9.968 -13.789 -7.698 365 1HG2 THR 45 1HG2 THR 45 8.245 -15.601 -5.558 366 2HG2 THR 45 2HG2 THR 45 9.657 -14.938 -4.732 367 3HG2 THR 45 3HG2 THR 45 9.786 -15.481 -6.407 368 HA PRO 46 HA PRO 46 6.268 -11.221 -2.235 369 1HB PRO 46 HB2 PRO 46 8.660 -11.768 -0.798 370 2HB PRO 46 HB1 PRO 46 7.054 -12.433 -0.501 371 1HG PRO 46 HG2 PRO 46 9.335 -13.605 -1.997 372 2HG PRO 46 HG1 PRO 46 8.073 -14.412 -1.048 373 1HD PRO 46 HD2 PRO 46 8.036 -14.482 -3.712 374 2HD PRO 46 HD1 PRO 46 6.529 -14.305 -2.791 375 H GLU 47 HN GLU 47 9.309 -11.324 -3.969 376 HA GLU 47 HA GLU 47 10.014 -8.638 -3.079 377 1HB GLU 47 HB2 GLU 47 11.452 -10.924 -4.202 378 2HB GLU 47 HB1 GLU 47 11.931 -9.387 -4.907 379 1HG GLU 47 HG2 GLU 47 12.478 -8.506 -2.737 380 2HG GLU 47 HG1 GLU 47 11.867 -9.963 -1.956 381 H GLN 48 HN GLN 48 9.459 -10.354 -6.169 382 HA GLN 48 HA GLN 48 9.559 -7.895 -7.662 383 1HB GLN 48 HB2 GLN 48 8.978 -10.755 -8.372 384 2HB GLN 48 HB1 GLN 48 8.732 -9.462 -9.538 385 1HG GLN 48 HG2 GLN 48 11.286 -9.047 -8.481 386 2HG GLN 48 HG1 GLN 48 11.155 -10.783 -8.756 387 1HE2 GLN 48 1HE2 GLN 48 10.784 -11.542 -10.860 388 2HE2 GLN 48 2HE2 GLN 48 11.117 -10.565 -12.246 389 H ALA 49 HN ALA 49 7.084 -9.738 -6.108 390 HA ALA 49 HA ALA 49 4.846 -9.051 -7.609 391 1HB ALA 49 HB1 ALA 49 4.981 -10.666 -5.662 392 2HB ALA 49 HB2 ALA 49 3.539 -9.655 -5.744 393 3HB ALA 49 HB3 ALA 49 4.831 -9.258 -4.611 394 H VAL 50 HN VAL 50 6.313 -7.326 -4.871 395 HA VAL 50 HA VAL 50 4.470 -5.132 -5.110 396 HB VAL 50 HB VAL 50 5.394 -4.240 -3.208 397 1HG1 VAL 50 1HG1 VAL 50 4.973 -6.918 -3.150 398 2HG1 VAL 50 2HG1 VAL 50 5.305 -5.925 -1.730 399 3HG1 VAL 50 3HG1 VAL 50 6.612 -6.816 -2.509 400 1HG2 VAL 50 1HG2 VAL 50 7.618 -3.813 -4.120 401 2HG2 VAL 50 2HG2 VAL 50 8.047 -5.508 -3.893 402 3HG2 VAL 50 3HG2 VAL 50 7.723 -4.484 -2.492 403 H VAL 51 HN VAL 51 7.914 -5.631 -5.813 404 HA VAL 51 HA VAL 51 8.498 -3.069 -6.749 405 HB VAL 51 HB VAL 51 9.721 -5.658 -7.717 406 1HG1 VAL 51 1HG1 VAL 51 10.653 -4.164 -9.149 407 2HG1 VAL 51 2HG1 VAL 51 11.731 -3.907 -7.778 408 3HG1 VAL 51 3HG1 VAL 51 10.393 -2.796 -8.067 409 1HG2 VAL 51 1HG2 VAL 51 9.627 -4.909 -5.134 410 2HG2 VAL 51 2HG2 VAL 51 11.075 -4.046 -5.652 411 3HG2 VAL 51 3HG2 VAL 51 10.976 -5.796 -5.844 412 H ARG 52 HN ARG 52 7.069 -5.842 -8.369 413 HA ARG 52 HA ARG 52 7.208 -4.675 -10.965 414 1HB ARG 52 HB2 ARG 52 7.119 -7.106 -10.673 415 2HB ARG 52 HB1 ARG 52 5.521 -6.969 -9.953 416 1HG ARG 52 HG2 ARG 52 4.853 -7.470 -12.041 417 2HG ARG 52 HG1 ARG 52 5.065 -5.736 -12.291 418 1HD ARG 52 HD2 ARG 52 7.214 -6.058 -13.263 419 2HD ARG 52 HD1 ARG 52 7.243 -7.755 -12.784 420 HE ARG 52 HE ARG 52 6.072 -8.252 -14.675 421 1HH1 ARG 52 1HH1 ARG 52 5.651 -4.856 -13.987 422 2HH1 ARG 52 2HH1 ARG 52 4.778 -4.540 -15.449 423 1HH2 ARG 52 1HH2 ARG 52 4.926 -7.837 -16.599 424 2HH2 ARG 52 2HH2 ARG 52 4.366 -6.233 -16.932 425 H GLU 53 HN GLU 53 4.544 -5.219 -8.672 426 HA GLU 53 HA GLU 53 2.625 -3.811 -10.217 427 1HB GLU 53 HB2 GLU 53 2.212 -5.538 -8.367 428 2HB GLU 53 HB1 GLU 53 2.476 -4.218 -7.236 429 1HG GLU 53 HG2 GLU 53 0.238 -4.036 -7.410 430 2HG GLU 53 HG1 GLU 53 0.666 -3.058 -8.811 431 H LEU 54 HN LEU 54 5.027 -2.847 -7.905 432 HA LEU 54 HA LEU 54 4.039 -0.450 -6.957 433 1HB LEU 54 HB2 LEU 54 6.126 -1.405 -6.165 434 2HB LEU 54 HB1 LEU 54 6.873 -1.141 -7.730 435 HG LEU 54 HG LEU 54 6.194 1.376 -7.193 436 1HD1 LEU 54 1HD1 LEU 54 5.176 1.247 -5.131 437 2HD1 LEU 54 2HD1 LEU 54 6.839 1.636 -4.689 438 3HD1 LEU 54 3HD1 LEU 54 6.257 -0.024 -4.560 439 1HD2 LEU 54 1HD2 LEU 54 8.441 0.542 -7.710 440 2HD2 LEU 54 2HD2 LEU 54 8.616 0.000 -6.040 441 3HD2 LEU 54 3HD2 LEU 54 8.466 1.720 -6.398 442 H GLN 55 HN GLN 55 5.717 -1.094 -10.008 443 HA GLN 55 HA GLN 55 5.759 1.595 -10.886 444 1HB GLN 55 HB2 GLN 55 6.525 -0.976 -11.919 445 2HB GLN 55 HB1 GLN 55 5.629 -0.102 -13.154 446 1HG GLN 55 HG2 GLN 55 7.173 1.654 -13.192 447 2HG GLN 55 HG1 GLN 55 7.894 1.167 -11.659 448 1HE2 GLN 55 1HE2 GLN 55 7.409 0.089 -14.990 449 2HE2 GLN 55 2HE2 GLN 55 8.899 -0.777 -15.114 450 H GLU 56 HN GLU 56 3.373 -0.944 -11.012 451 HA GLU 56 HA GLU 56 1.658 0.310 -12.922 452 1HB GLU 56 HB2 GLU 56 1.776 -2.180 -11.889 453 2HB GLU 56 HB1 GLU 56 0.489 -1.515 -10.900 454 1HG GLU 56 HG2 GLU 56 -0.173 -0.743 -13.475 455 2HG GLU 56 HG1 GLU 56 0.446 -2.384 -13.655 456 H GLU 57 HN GLU 57 2.234 0.644 -9.547 457 HA GLU 57 HA GLU 57 -0.177 2.280 -9.230 458 1HB GLU 57 HB2 GLU 57 1.564 1.269 -6.993 459 2HB GLU 57 HB1 GLU 57 -0.090 1.862 -6.902 460 1HG GLU 57 HG2 GLU 57 0.691 -0.633 -8.379 461 2HG GLU 57 HG1 GLU 57 0.189 -0.618 -6.693 462 H VAL 58 HN VAL 58 2.851 2.795 -10.146 463 HA VAL 58 HA VAL 58 2.969 5.398 -8.797 464 HB VAL 58 HB VAL 58 4.748 3.348 -8.224 465 1HG1 VAL 58 1HG1 VAL 58 5.851 3.555 -10.376 466 2HG1 VAL 58 2HG1 VAL 58 6.921 4.071 -9.074 467 3HG1 VAL 58 3HG1 VAL 58 6.127 5.272 -10.088 468 1HG2 VAL 58 1HG2 VAL 58 6.135 5.529 -7.448 469 2HG2 VAL 58 2HG2 VAL 58 4.730 4.893 -6.595 470 3HG2 VAL 58 3HG2 VAL 58 4.544 6.236 -7.723 471 H GLY 59 HN GLY 59 4.143 3.383 -11.447 472 1HA GLY 59 HA2 GLY 59 4.506 3.817 -13.638 473 2HA GLY 59 HA1 GLY 59 3.440 5.178 -13.457 474 H ILE 60 HN ILE 60 5.379 6.418 -11.503 475 HA ILE 60 HA ILE 60 7.099 7.585 -13.533 476 HB ILE 60 HB ILE 60 7.638 9.005 -11.262 477 1HG1 ILE 60 2HG1 ILE 60 5.443 9.569 -10.266 478 2HG1 ILE 60 1HG1 ILE 60 4.736 8.219 -11.144 479 1HG2 ILE 60 1HG2 ILE 60 5.365 10.157 -12.567 480 2HG2 ILE 60 2HG2 ILE 60 6.448 9.429 -13.751 481 3HG2 ILE 60 3HG2 ILE 60 7.058 10.644 -12.628 482 1HD1 ILE 60 1HD1 ILE 60 6.948 7.188 -9.767 483 2HD1 ILE 60 2HD1 ILE 60 5.238 6.925 -9.424 484 3HD1 ILE 60 3HD1 ILE 60 6.103 8.245 -8.636 485 H THR 61 HN THR 61 9.189 8.556 -12.116 486 HA THR 61 HA THR 61 10.684 6.151 -11.396 487 HB THR 61 HB THR 61 12.590 7.837 -11.815 488 HG1 THR 61 HG1 THR 61 11.967 9.517 -13.244 489 1HG2 THR 61 1HG2 THR 61 12.517 7.541 -14.242 490 2HG2 THR 61 2HG2 THR 61 10.837 7.012 -14.110 491 3HG2 THR 61 3HG2 THR 61 12.128 6.045 -13.391 492 HA PRO 62 HA PRO 62 10.643 8.420 -7.435 493 1HB PRO 62 HB2 PRO 62 9.252 6.644 -6.010 494 2HB PRO 62 HB1 PRO 62 8.458 7.680 -7.190 495 1HG PRO 62 HG2 PRO 62 8.942 4.795 -7.293 496 2HG PRO 62 HG1 PRO 62 7.835 5.776 -8.265 497 1HD PRO 62 HD2 PRO 62 10.544 4.860 -8.906 498 2HD PRO 62 HD1 PRO 62 9.307 5.540 -9.979 499 H GLN 63 HN GLN 63 12.152 8.336 -5.839 500 HA GLN 63 HA GLN 63 13.810 5.980 -5.514 501 1HB GLN 63 HB2 GLN 63 13.621 8.577 -3.963 502 2HB GLN 63 HB1 GLN 63 14.788 7.309 -3.610 503 1HG GLN 63 HG2 GLN 63 15.889 7.632 -5.694 504 2HG GLN 63 HG1 GLN 63 14.616 8.709 -6.265 505 1HE2 GLN 63 1HE2 GLN 63 15.739 10.542 -6.566 506 2HE2 GLN 63 2HE2 GLN 63 16.590 11.388 -5.324 507 H HIS 64 HN HIS 64 11.990 4.603 -5.122 508 HA HIS 64 HA HIS 64 10.977 4.818 -2.384 509 1HB HIS 64 HB2 HIS 64 9.653 4.958 -4.980 510 2HB HIS 64 HB1 HIS 64 8.888 3.847 -3.875 511 HD1 HIS 64 HD1 HIS 64 9.316 5.487 -1.261 512 HD2 HIS 64 HD2 HIS 64 7.950 7.061 -4.836 513 HE1 HIS 64 HE1 HIS 64 8.040 7.540 -0.637 514 HE2 HIS 64 HE2 HIS 64 7.514 8.616 -2.830 515 H PHE 65 HN PHE 65 11.135 3.000 -1.240 516 HA PHE 65 HA PHE 65 10.441 0.439 -2.014 517 1HB PHE 65 HB2 PHE 65 12.537 0.870 -3.475 518 2HB PHE 65 HB1 PHE 65 13.409 0.667 -1.970 519 HD1 PHE 65 HD1 PHE 65 14.489 -1.368 -1.991 520 HD2 PHE 65 HD2 PHE 65 10.494 -1.122 -3.436 521 HE1 PHE 65 HE1 PHE 65 14.455 -3.809 -2.301 522 HE2 PHE 65 HE2 PHE 65 10.452 -3.562 -3.747 523 HZ PHE 65 HZ PHE 65 12.435 -4.909 -3.180 524 H SER 66 HN SER 66 11.490 -1.267 -0.523 525 HA SER 66 HA SER 66 12.562 -1.838 1.503 526 1HB SER 66 HB2 SER 66 13.228 0.626 1.829 527 2HB SER 66 HB1 SER 66 11.708 0.792 2.705 528 HG SER 66 HG SER 66 12.854 0.101 4.327 529 H LEU 67 HN LEU 67 11.604 -2.658 3.463 530 HA LEU 67 HA LEU 67 8.673 -2.717 3.273 531 1HB LEU 67 HB2 LEU 67 9.751 -4.869 2.955 532 2HB LEU 67 HB1 LEU 67 10.601 -4.695 4.478 533 HG LEU 67 HG LEU 67 7.617 -4.645 4.494 534 1HD1 LEU 67 1HD1 LEU 67 7.334 -6.891 4.233 535 2HD1 LEU 67 2HD1 LEU 67 8.981 -7.271 4.736 536 3HD1 LEU 67 3HD1 LEU 67 8.678 -6.635 3.119 537 1HD2 LEU 67 1HD2 LEU 67 9.612 -4.538 6.416 538 2HD2 LEU 67 2HD2 LEU 67 9.011 -6.194 6.504 539 3HD2 LEU 67 3HD2 LEU 67 7.896 -4.840 6.692 540 H PHE 68 HN PHE 68 7.383 -2.506 5.105 541 HA PHE 68 HA PHE 68 8.745 -1.405 7.473 542 1HB PHE 68 HB2 PHE 68 7.553 0.458 7.112 543 2HB PHE 68 HB1 PHE 68 6.643 -0.309 5.821 544 HD1 PHE 68 HD1 PHE 68 6.558 0.957 9.164 545 HD2 PHE 68 HD2 PHE 68 4.591 -1.656 6.444 546 HE1 PHE 68 HE1 PHE 68 4.528 1.045 10.553 547 HE2 PHE 68 HE2 PHE 68 2.559 -1.576 7.826 548 HZ PHE 68 HZ PHE 68 2.522 -0.221 9.883 549 H GLU 69 HN GLU 69 5.919 -3.229 6.351 550 HA GLU 69 HA GLU 69 6.101 -5.113 8.455 551 1HB GLU 69 HB2 GLU 69 4.899 -2.796 9.292 552 2HB GLU 69 HB1 GLU 69 3.515 -3.756 8.786 553 1HG GLU 69 HG2 GLU 69 4.909 -5.575 10.232 554 2HG GLU 69 HG1 GLU 69 5.304 -4.082 11.082 555 H LYS 70 HN LYS 70 4.533 -6.817 8.254 556 HA LYS 70 HA LYS 70 2.801 -6.655 5.892 557 1HB LYS 70 HB2 LYS 70 3.547 -8.895 5.160 558 2HB LYS 70 HB1 LYS 70 4.837 -7.702 5.098 559 1HG LYS 70 HG2 LYS 70 5.592 -8.570 7.339 560 2HG LYS 70 HG1 LYS 70 4.446 -9.893 7.116 561 1HD LYS 70 HD2 LYS 70 6.205 -10.920 6.149 562 2HD LYS 70 HD1 LYS 70 5.747 -9.953 4.745 563 1HE LYS 70 HE2 LYS 70 7.881 -9.257 4.811 564 2HE LYS 70 HE1 LYS 70 7.312 -8.201 6.102 565 1HZ LYS 70 HZ1 LYS 70 7.850 -10.418 7.472 566 2HZ LYS 70 HZ2 LYS 70 8.974 -9.177 7.230 567 3HZ LYS 70 HZ3 LYS 70 9.007 -10.550 6.245 568 H LEU 71 HN LEU 71 0.846 -7.548 6.189 569 HA LEU 71 HA LEU 71 0.455 -9.226 8.575 570 1HB LEU 71 HB2 LEU 71 -0.609 -7.116 8.926 571 2HB LEU 71 HB1 LEU 71 -1.340 -7.150 7.333 572 HG LEU 71 HG LEU 71 -2.472 -9.351 8.318 573 1HD1 LEU 71 1HD1 LEU 71 -1.427 -9.357 10.454 574 2HD1 LEU 71 2HD1 LEU 71 -3.108 -8.877 10.694 575 3HD1 LEU 71 3HD1 LEU 71 -1.830 -7.661 10.723 576 1HD2 LEU 71 1HD2 LEU 71 -3.537 -7.261 7.421 577 2HD2 LEU 71 2HD2 LEU 71 -3.486 -6.617 9.062 578 3HD2 LEU 71 3HD2 LEU 71 -4.429 -8.065 8.713 579 H GLU 72 HN GLU 72 -0.225 -11.224 8.200 580 HA GLU 72 HA GLU 72 -1.546 -11.803 5.636 581 1HB GLU 72 HB2 GLU 72 0.516 -12.904 5.511 582 2HB GLU 72 HB1 GLU 72 0.498 -13.336 7.213 583 1HG GLU 72 HG2 GLU 72 -0.806 -15.165 6.882 584 2HG GLU 72 HG1 GLU 72 -1.612 -14.479 5.474 585 H TYR 73 HN TYR 73 -3.648 -12.076 5.997 586 HA TYR 73 HA TYR 73 -4.469 -13.859 8.182 587 1HB TYR 73 HB2 TYR 73 -4.813 -11.334 8.650 588 2HB TYR 73 HB1 TYR 73 -6.107 -11.440 7.462 589 HD1 TYR 73 HD1 TYR 73 -4.992 -13.685 10.240 590 HD2 TYR 73 HD2 TYR 73 -8.157 -11.423 8.518 591 HE1 TYR 73 HE1 TYR 73 -6.518 -14.501 11.987 592 HE2 TYR 73 HE2 TYR 73 -9.692 -12.232 10.261 593 HH TYR 73 HH TYR 73 -9.635 -13.157 12.480 594 H GLU 74 HN GLU 74 -6.464 -14.976 7.813 595 HA GLU 74 HA GLU 74 -7.205 -15.055 4.964 596 1HB GLU 74 HB2 GLU 74 -8.027 -17.446 5.651 597 2HB GLU 74 HB1 GLU 74 -6.335 -17.159 5.275 598 1HG GLU 74 HG2 GLU 74 -6.006 -16.826 7.771 599 2HG GLU 74 HG1 GLU 74 -7.616 -17.514 7.962 600 H PHE 75 HN PHE 75 -9.278 -15.040 4.378 601 HA PHE 75 HA PHE 75 -11.261 -14.481 6.473 602 1HB PHE 75 HB2 PHE 75 -10.650 -13.214 3.960 603 2HB PHE 75 HB1 PHE 75 -12.312 -13.788 3.943 604 HD1 PHE 75 HD1 PHE 75 -10.169 -12.333 6.626 605 HD2 PHE 75 HD2 PHE 75 -13.729 -12.021 4.315 606 HE1 PHE 75 HE1 PHE 75 -10.849 -10.372 7.947 607 HE2 PHE 75 HE2 PHE 75 -14.416 -10.060 5.631 608 HZ PHE 75 HZ PHE 75 -12.975 -9.232 7.450 609 HA PRO 76 HA PRO 76 -13.976 -17.901 5.845 610 1HB PRO 76 HB2 PRO 76 -15.796 -16.143 4.276 611 2HB PRO 76 HB1 PRO 76 -16.158 -17.209 5.635 612 1HG PRO 76 HG2 PRO 76 -15.911 -14.499 5.848 613 2HG PRO 76 HG1 PRO 76 -15.624 -15.628 7.181 614 1HD PRO 76 HD2 PRO 76 -13.723 -13.985 5.721 615 2HD PRO 76 HD1 PRO 76 -13.483 -14.901 7.215 616 H ASP 77 HN ASP 77 -12.317 -18.709 4.350 617 HA ASP 77 HA ASP 77 -11.811 -19.880 2.454 618 1HB ASP 77 HB2 ASP 77 -14.453 -18.930 1.326 619 2HB ASP 77 HB1 ASP 77 -13.484 -20.288 0.764 620 H ARG 78 HN ARG 78 -11.437 -16.915 2.887 621 HA ARG 78 HA ARG 78 -10.539 -16.300 0.171 622 1HB ARG 78 HB2 ARG 78 -12.756 -15.124 0.987 623 2HB ARG 78 HB1 ARG 78 -11.640 -14.102 1.880 624 1HG ARG 78 HG2 ARG 78 -11.615 -12.860 0.025 625 2HG ARG 78 HG1 ARG 78 -10.517 -14.093 -0.600 626 1HD ARG 78 HD2 ARG 78 -12.219 -15.165 -1.796 627 2HD ARG 78 HD1 ARG 78 -13.491 -14.366 -0.874 628 HE ARG 78 HE ARG 78 -13.345 -12.566 -2.286 629 1HH1 ARG 78 1HH1 ARG 78 -10.561 -14.614 -2.761 630 2HH1 ARG 78 2HH1 ARG 78 -10.013 -13.757 -4.163 631 1HH2 ARG 78 1HH2 ARG 78 -12.627 -11.437 -4.129 632 2HH2 ARG 78 2HH2 ARG 78 -11.186 -11.954 -4.939 633 H HIS 79 HN HIS 79 -8.395 -16.703 0.717 634 HA HIS 79 HA HIS 79 -7.197 -15.628 3.079 635 1HB HIS 79 HB2 HIS 79 -6.011 -16.886 0.602 636 2HB HIS 79 HB1 HIS 79 -5.054 -16.383 1.992 637 HD1 HIS 79 HD1 HIS 79 -8.313 -18.348 1.846 638 HD2 HIS 79 HD2 HIS 79 -4.419 -18.686 3.258 639 HE1 HIS 79 HE1 HIS 79 -8.235 -20.536 3.084 640 HE2 HIS 79 HE2 HIS 79 -5.845 -20.760 3.853 641 H ILE 80 HN ILE 80 -7.199 -13.448 3.220 642 HA ILE 80 HA ILE 80 -6.288 -11.883 0.925 643 HB ILE 80 HB ILE 80 -8.326 -11.033 1.783 644 1HG1 ILE 80 2HG1 ILE 80 -6.382 -9.242 3.187 645 2HG1 ILE 80 1HG1 ILE 80 -6.293 -9.433 1.440 646 1HG2 ILE 80 1HG2 ILE 80 -8.532 -10.360 4.205 647 2HG2 ILE 80 2HG2 ILE 80 -7.059 -11.285 4.498 648 3HG2 ILE 80 3HG2 ILE 80 -8.501 -12.095 3.887 649 1HD1 ILE 80 1HD1 ILE 80 -8.765 -8.807 1.426 650 2HD1 ILE 80 2HD1 ILE 80 -7.597 -7.530 1.767 651 3HD1 ILE 80 3HD1 ILE 80 -8.506 -8.270 3.085 652 H THR 81 HN THR 81 -4.191 -11.438 0.850 653 HA THR 81 HA THR 81 -2.701 -11.156 3.371 654 HB THR 81 HB THR 81 -1.171 -11.361 0.861 655 HG1 THR 81 HG1 THR 81 -1.577 -13.624 0.721 656 1HG2 THR 81 1HG2 THR 81 -0.160 -11.502 3.120 657 2HG2 THR 81 2HG2 THR 81 0.184 -12.889 2.086 658 3HG2 THR 81 3HG2 THR 81 -1.026 -13.020 3.362 659 H LEU 82 HN LEU 82 -1.897 -9.219 3.919 660 HA LEU 82 HA LEU 82 -1.701 -7.160 1.816 661 1HB LEU 82 HB2 LEU 82 -2.902 -6.995 4.555 662 2HB LEU 82 HB1 LEU 82 -2.229 -5.562 3.802 663 HG LEU 82 HG LEU 82 -4.343 -7.236 2.464 664 1HD1 LEU 82 1HD1 LEU 82 -5.216 -4.712 3.627 665 2HD1 LEU 82 2HD1 LEU 82 -4.734 -5.905 4.834 666 3HD1 LEU 82 3HD1 LEU 82 -5.983 -6.301 3.653 667 1HD2 LEU 82 1HD2 LEU 82 -4.509 -5.546 0.927 668 2HD2 LEU 82 2HD2 LEU 82 -2.790 -5.459 1.307 669 3HD2 LEU 82 3HD2 LEU 82 -3.914 -4.320 2.047 670 H TRP 83 HN TRP 83 0.356 -6.628 1.535 671 HA TRP 83 HA TRP 83 2.186 -6.734 3.833 672 1HB TRP 83 HB2 TRP 83 2.740 -6.754 0.859 673 2HB TRP 83 HB1 TRP 83 3.990 -6.695 2.097 674 HD1 TRP 83 HD1 TRP 83 0.915 -8.960 2.420 675 HE1 TRP 83 HE1 TRP 83 1.692 -11.406 2.374 676 HE3 TRP 83 HE3 TRP 83 5.848 -8.217 1.316 677 HZ2 TRP 83 HZ2 TRP 83 4.085 -12.840 1.930 678 HZ3 TRP 83 HZ3 TRP 83 7.315 -10.179 1.099 679 HH2 TRP 83 HH2 TRP 83 6.451 -12.443 1.401 680 H PHE 84 HN PHE 84 2.805 -4.895 4.727 681 HA PHE 84 HA PHE 84 2.392 -2.393 3.256 682 1HB PHE 84 HB2 PHE 84 2.679 -3.020 6.191 683 2HB PHE 84 HB1 PHE 84 2.853 -1.379 5.587 684 HD1 PHE 84 HD1 PHE 84 0.483 -3.598 3.941 685 HD2 PHE 84 HD2 PHE 84 0.971 -0.677 7.004 686 HE1 PHE 84 HE1 PHE 84 -1.952 -3.307 4.047 687 HE2 PHE 84 HE2 PHE 84 -1.466 -0.385 7.111 688 HZ PHE 84 HZ PHE 84 -2.932 -1.700 5.632 689 H TRP 85 HN TRP 85 4.127 -1.758 2.136 690 HA TRP 85 HA TRP 85 6.790 -2.355 3.188 691 1HB TRP 85 HB2 TRP 85 5.838 -1.521 0.450 692 2HB TRP 85 HB1 TRP 85 7.539 -1.655 0.878 693 HD1 TRP 85 HD1 TRP 85 4.487 -4.032 1.311 694 HE1 TRP 85 HE1 TRP 85 5.210 -6.380 0.549 695 HE3 TRP 85 HE3 TRP 85 9.312 -3.001 -0.027 696 HZ2 TRP 85 HZ2 TRP 85 7.520 -7.631 -0.483 697 HZ3 TRP 85 HZ3 TRP 85 10.711 -4.830 -0.893 698 HH2 TRP 85 HH2 TRP 85 9.833 -7.097 -1.115 699 H LEU 86 HN LEU 86 8.402 -0.812 3.399 700 HA LEU 86 HA LEU 86 7.435 1.882 3.939 701 1HB LEU 86 HB2 LEU 86 8.810 0.715 5.620 702 2HB LEU 86 HB1 LEU 86 10.128 0.624 4.469 703 HG LEU 86 HG LEU 86 9.813 3.263 4.449 704 1HD1 LEU 86 1HD1 LEU 86 8.029 3.586 5.894 705 2HD1 LEU 86 2HD1 LEU 86 9.430 3.881 6.923 706 3HD1 LEU 86 3HD1 LEU 86 8.578 2.339 7.013 707 1HD2 LEU 86 1HD2 LEU 86 11.209 2.084 6.817 708 2HD2 LEU 86 2HD2 LEU 86 11.720 3.395 5.754 709 3HD2 LEU 86 3HD2 LEU 86 11.770 1.727 5.184 710 H VAL 87 HN VAL 87 7.662 3.451 2.525 711 HA VAL 87 HA VAL 87 9.791 3.276 0.493 712 HB VAL 87 HB VAL 87 7.552 4.856 -0.383 713 1HG1 VAL 87 1HG1 VAL 87 7.865 3.663 -2.388 714 2HG1 VAL 87 2HG1 VAL 87 8.566 2.277 -1.550 715 3HG1 VAL 87 3HG1 VAL 87 9.466 3.782 -1.671 716 1HG2 VAL 87 1HG2 VAL 87 6.313 3.219 1.046 717 2HG2 VAL 87 2HG2 VAL 87 7.013 1.924 0.066 718 3HG2 VAL 87 3HG2 VAL 87 5.922 3.100 -0.671 719 H GLU 88 HN GLU 88 10.831 5.197 -0.098 720 HA GLU 88 HA GLU 88 10.646 7.183 1.966 721 1HB GLU 88 HB2 GLU 88 12.803 6.138 1.055 722 2HB GLU 88 HB1 GLU 88 12.628 7.277 -0.274 723 1HG GLU 88 HG2 GLU 88 13.006 9.111 1.070 724 2HG GLU 88 HG1 GLU 88 12.545 8.258 2.542 725 H ARG 89 HN ARG 89 11.073 7.714 -1.574 726 HA ARG 89 HA ARG 89 8.945 9.599 -1.634 727 1HB ARG 89 HB2 ARG 89 10.323 11.569 -2.159 728 2HB ARG 89 HB1 ARG 89 10.601 10.979 -0.525 729 1HG ARG 89 HG2 ARG 89 12.752 10.547 -0.924 730 2HG ARG 89 HG1 ARG 89 12.409 9.816 -2.493 731 1HD ARG 89 HD2 ARG 89 13.348 11.626 -3.395 732 2HD ARG 89 HD1 ARG 89 11.900 12.501 -2.901 733 HE ARG 89 HE ARG 89 13.444 12.609 -0.693 734 1HH1 ARG 89 1HH1 ARG 89 14.058 13.364 -4.046 735 2HH1 ARG 89 2HH1 ARG 89 15.227 14.590 -3.684 736 1HH2 ARG 89 1HH2 ARG 89 14.979 14.222 -0.217 737 2HH2 ARG 89 2HH2 ARG 89 15.751 15.077 -1.511 738 H TRP 90 HN TRP 90 8.804 10.752 -3.740 739 HA TRP 90 HA TRP 90 9.861 9.043 -5.891 740 1HB TRP 90 HB2 TRP 90 7.842 9.603 -7.160 741 2HB TRP 90 HB1 TRP 90 7.436 8.851 -5.622 742 HD1 TRP 90 HD1 TRP 90 7.221 12.180 -7.475 743 HE1 TRP 90 HE1 TRP 90 5.545 13.698 -6.246 744 HE3 TRP 90 HE3 TRP 90 6.468 9.339 -3.296 745 HZ2 TRP 90 HZ2 TRP 90 4.092 13.686 -3.834 746 HZ3 TRP 90 HZ3 TRP 90 4.906 10.159 -1.578 747 HH2 TRP 90 HH2 TRP 90 3.743 12.293 -1.837 748 H GLU 91 HN GLU 91 10.106 10.144 -8.032 749 HA GLU 91 HA GLU 91 11.124 12.874 -7.619 750 1HB GLU 91 HB2 GLU 91 12.533 10.829 -8.536 751 2HB GLU 91 HB1 GLU 91 11.775 11.279 -10.058 752 1HG GLU 91 HG2 GLU 91 12.703 13.671 -8.956 753 2HG GLU 91 HG1 GLU 91 13.985 12.492 -8.680 754 H GLY 92 HN GLY 92 8.799 13.536 -7.796 755 1HA GLY 92 HA2 GLY 92 8.030 15.091 -9.693 756 2HA GLY 92 HA1 GLY 92 7.868 13.591 -10.592 757 H GLU 93 HN GLU 93 5.899 12.758 -10.645 758 HA GLU 93 HA GLU 93 4.130 13.138 -8.333 759 1HB GLU 93 HB2 GLU 93 3.697 14.004 -11.126 760 2HB GLU 93 HB1 GLU 93 2.332 13.208 -10.354 761 1HG GLU 93 HG2 GLU 93 3.247 15.023 -8.461 762 2HG GLU 93 HG1 GLU 93 3.356 15.881 -9.997 763 HA PRO 94 HA PRO 94 3.841 8.715 -9.124 764 1HB PRO 94 HB2 PRO 94 2.208 8.546 -6.734 765 2HB PRO 94 HB1 PRO 94 3.850 7.954 -6.993 766 1HG PRO 94 HG2 PRO 94 3.256 10.024 -5.330 767 2HG PRO 94 HG1 PRO 94 4.805 9.858 -6.173 768 1HD PRO 94 HD2 PRO 94 2.442 11.561 -6.875 769 2HD PRO 94 HD1 PRO 94 4.170 11.959 -6.927 770 H TRP 95 HN TRP 95 2.407 7.742 -10.415 771 HA TRP 95 HA TRP 95 -0.403 8.531 -10.104 772 1HB TRP 95 HB2 TRP 95 -0.531 7.865 -12.628 773 2HB TRP 95 HB1 TRP 95 0.057 9.455 -12.170 774 HD1 TRP 95 HD1 TRP 95 2.811 9.722 -12.220 775 HE1 TRP 95 HE1 TRP 95 4.501 8.763 -13.917 776 HE3 TRP 95 HE3 TRP 95 0.021 5.846 -13.995 777 HZ2 TRP 95 HZ2 TRP 95 4.608 6.644 -15.775 778 HZ3 TRP 95 HZ3 TRP 95 0.980 4.400 -15.738 779 HH2 TRP 95 HH2 TRP 95 3.232 4.784 -16.599 780 H GLY 96 HN GLY 96 1.276 6.059 -11.983 781 1HA GLY 96 HA2 GLY 96 0.981 3.782 -12.123 782 2HA GLY 96 HA1 GLY 96 0.518 3.851 -10.436 783 H LYS 97 HN LYS 97 -1.758 4.705 -10.060 784 HA LYS 97 HA LYS 97 -4.011 4.865 -10.643 785 1HB LYS 97 HB2 LYS 97 -3.199 4.652 -13.125 786 2HB LYS 97 HB1 LYS 97 -3.679 2.970 -12.940 787 1HG LYS 97 HG2 LYS 97 -5.938 3.747 -12.263 788 2HG LYS 97 HG1 LYS 97 -5.429 5.398 -12.625 789 1HD LYS 97 HD2 LYS 97 -4.879 4.609 -14.949 790 2HD LYS 97 HD1 LYS 97 -5.661 3.081 -14.537 791 1HE LYS 97 HE2 LYS 97 -6.977 5.793 -14.421 792 2HE LYS 97 HE1 LYS 97 -7.157 4.636 -15.739 793 1HZ LYS 97 HZ1 LYS 97 -7.854 3.084 -13.752 794 2HZ LYS 97 HZ2 LYS 97 -8.971 4.109 -14.503 795 3HZ LYS 97 HZ3 LYS 97 -8.264 4.560 -13.034 796 H GLU 98 HN GLU 98 -3.902 3.678 -8.624 797 HA GLU 98 HA GLU 98 -4.102 0.785 -8.750 798 1HB GLU 98 HB2 GLU 98 -4.173 0.863 -6.334 799 2HB GLU 98 HB1 GLU 98 -2.880 1.906 -6.907 800 1HG GLU 98 HG2 GLU 98 -3.722 3.470 -5.586 801 2HG GLU 98 HG1 GLU 98 -5.047 3.601 -6.741 802 H GLY 99 HN GLY 99 -6.187 3.569 -8.377 803 1HA GLY 99 HA2 GLY 99 -8.497 2.847 -9.309 804 2HA GLY 99 HA1 GLY 99 -8.491 1.811 -7.891 805 H GLN 100 HN GLN 100 -6.932 4.192 -6.581 806 HA GLN 100 HA GLN 100 -9.192 6.020 -6.212 807 1HB GLN 100 HB2 GLN 100 -9.424 4.350 -4.450 808 2HB GLN 100 HB1 GLN 100 -7.754 4.600 -3.965 809 1HG GLN 100 HG2 GLN 100 -8.329 6.949 -3.402 810 2HG GLN 100 HG1 GLN 100 -10.014 6.573 -3.756 811 1HE2 GLN 100 1HE2 GLN 100 -10.312 4.109 -2.666 812 2HE2 GLN 100 2HE2 GLN 100 -10.090 4.182 -0.954 813 HA PRO 101 HA PRO 101 -5.657 8.727 -7.111 814 1HB PRO 101 HB2 PRO 101 -7.933 10.500 -6.288 815 2HB PRO 101 HB1 PRO 101 -6.745 10.740 -7.578 816 1HG PRO 101 HG2 PRO 101 -9.162 9.884 -8.183 817 2HG PRO 101 HG1 PRO 101 -7.749 9.138 -8.956 818 1HD PRO 101 HD2 PRO 101 -9.506 8.079 -6.797 819 2HD PRO 101 HD1 PRO 101 -8.656 7.211 -8.091 820 H GLY 102 HN GLY 102 -4.239 9.834 -5.800 821 1HA GLY 102 HA2 GLY 102 -5.030 10.230 -2.987 822 2HA GLY 102 HA1 GLY 102 -3.527 9.413 -3.385 823 H GLU 103 HN GLU 103 -3.152 11.418 -1.802 824 HA GLU 103 HA GLU 103 -1.765 13.375 -3.426 825 1HB GLU 103 HB2 GLU 103 -4.230 14.130 -2.841 826 2HB GLU 103 HB1 GLU 103 -3.511 14.510 -1.282 827 1HG GLU 103 HG2 GLU 103 -1.897 15.974 -2.376 828 2HG GLU 103 HG1 GLU 103 -2.603 15.584 -3.944 829 H TRP 104 HN TRP 104 -0.231 14.657 -2.147 830 HA TRP 104 HA TRP 104 1.087 13.100 -0.200 831 1HB TRP 104 HB2 TRP 104 1.656 15.994 -0.058 832 2HB TRP 104 HB1 TRP 104 2.756 14.647 -0.322 833 HD1 TRP 104 HD1 TRP 104 2.074 13.522 -3.028 834 HE1 TRP 104 HE1 TRP 104 2.192 14.912 -5.193 835 HE3 TRP 104 HE3 TRP 104 1.713 18.203 -1.006 836 HZ2 TRP 104 HZ2 TRP 104 2.138 17.635 -5.941 837 HZ3 TRP 104 HZ3 TRP 104 1.754 20.146 -2.514 838 HH2 TRP 104 HH2 TRP 104 1.963 19.867 -4.931 839 H MET 105 HN MET 105 0.142 12.595 1.669 840 HA MET 105 HA MET 105 -1.076 14.777 3.239 841 1HB MET 105 HB2 MET 105 -1.863 11.961 3.781 842 2HB MET 105 HB1 MET 105 -2.799 13.438 3.942 843 1HG MET 105 HG2 MET 105 -2.560 13.412 1.296 844 2HG MET 105 HG1 MET 105 -2.413 11.681 1.596 845 1HE MET 105 HE1 MET 105 -4.456 14.867 2.058 846 2HE MET 105 HE2 MET 105 -6.113 14.294 1.870 847 3HE MET 105 HE3 MET 105 -4.984 14.185 0.520 848 H SER 106 HN SER 106 -0.901 14.606 5.556 849 HA SER 106 HA SER 106 1.716 13.908 6.393 850 1HB SER 106 HB2 SER 106 0.499 14.262 8.745 851 2HB SER 106 HB1 SER 106 0.917 15.619 7.698 852 HG SER 106 HG SER 106 -1.126 16.036 7.566 853 H LEU 107 HN LEU 107 2.434 11.918 6.711 854 HA LEU 107 HA LEU 107 0.633 9.727 7.197 855 1HB LEU 107 HB2 LEU 107 2.753 9.610 5.820 856 2HB LEU 107 HB1 LEU 107 3.642 9.671 7.327 857 HG LEU 107 HG LEU 107 3.260 7.375 6.265 858 1HD1 LEU 107 1HD1 LEU 107 3.722 6.523 8.275 859 2HD1 LEU 107 2HD1 LEU 107 2.214 7.114 8.975 860 3HD1 LEU 107 3HD1 LEU 107 3.611 8.184 8.858 861 1HD2 LEU 107 1HD2 LEU 107 0.680 7.193 7.670 862 2HD2 LEU 107 2HD2 LEU 107 1.215 6.434 6.171 863 3HD2 LEU 107 3HD2 LEU 107 0.657 8.106 6.161 864 H VAL 108 HN VAL 108 2.482 11.873 9.140 865 HA VAL 108 HA VAL 108 2.914 10.261 11.403 866 HB VAL 108 HB VAL 108 4.039 12.416 11.079 867 1HG1 VAL 108 1HG1 VAL 108 2.369 14.365 11.990 868 2HG1 VAL 108 2HG1 VAL 108 1.277 13.390 11.006 869 3HG1 VAL 108 3HG1 VAL 108 2.741 14.065 10.292 870 1HG2 VAL 108 1HG2 VAL 108 3.804 11.414 13.339 871 2HG2 VAL 108 2HG2 VAL 108 2.383 12.426 13.600 872 3HG2 VAL 108 3HG2 VAL 108 3.964 13.170 13.362 873 H GLY 109 HN GLY 109 0.005 11.422 10.095 874 1HA GLY 109 HA2 GLY 109 -1.345 11.008 12.687 875 2HA GLY 109 HA1 GLY 109 -1.896 12.177 11.500 876 H LEU 110 HN LEU 110 -0.797 8.853 10.948 877 HA LEU 110 HA LEU 110 -2.933 8.239 9.214 878 1HB LEU 110 HB2 LEU 110 -0.611 7.091 9.552 879 2HB LEU 110 HB1 LEU 110 -1.455 6.132 10.752 880 HG LEU 110 HG LEU 110 -2.957 5.251 9.083 881 1HD1 LEU 110 1HD1 LEU 110 -1.828 7.441 7.449 882 2HD1 LEU 110 2HD1 LEU 110 -3.459 6.770 7.484 883 3HD1 LEU 110 3HD1 LEU 110 -2.177 5.925 6.616 884 1HD2 LEU 110 1HD2 LEU 110 -0.116 5.172 8.073 885 2HD2 LEU 110 2HD2 LEU 110 -1.389 4.004 7.716 886 3HD2 LEU 110 3HD2 LEU 110 -0.772 4.162 9.361 887 H ASN 111 HN ASN 111 -4.943 7.411 9.573 888 HA ASN 111 HA ASN 111 -5.616 6.745 12.356 889 1HB ASN 111 HB2 ASN 111 -6.673 8.783 10.663 890 2HB ASN 111 HB1 ASN 111 -7.947 7.622 11.010 891 1HD2 ASN 111 1HD2 ASN 111 -8.820 7.538 13.013 892 2HD2 ASN 111 2HD2 ASN 111 -8.385 8.601 14.303 893 H ALA 112 HN ALA 112 -6.803 4.996 12.780 894 HA ALA 112 HA ALA 112 -7.084 3.008 10.755 895 1HB ALA 112 HB1 ALA 112 -8.497 2.692 13.344 896 2HB ALA 112 HB2 ALA 112 -6.740 2.830 13.389 897 3HB ALA 112 HB3 ALA 112 -7.500 1.544 12.451 898 H ASP 113 HN ASP 113 -9.023 5.596 11.820 899 HA ASP 113 HA ASP 113 -11.577 4.433 11.207 900 1HB ASP 113 HB2 ASP 113 -10.917 6.458 12.794 901 2HB ASP 113 HB1 ASP 113 -11.203 7.388 11.326 902 H ASP 114 HN ASP 114 -9.490 6.860 9.644 903 HA ASP 114 HA ASP 114 -11.171 7.251 7.406 904 1HB ASP 114 HB2 ASP 114 -8.526 7.814 6.597 905 2HB ASP 114 HB1 ASP 114 -9.765 8.954 7.090 906 H PHE 115 HN PHE 115 -8.446 5.096 7.983 907 HA PHE 115 HA PHE 115 -8.410 4.120 5.278 908 1HB PHE 115 HB2 PHE 115 -6.457 3.119 5.871 909 2HB PHE 115 HB1 PHE 115 -6.566 4.168 7.286 910 HD1 PHE 115 HD1 PHE 115 -5.546 1.107 6.523 911 HD2 PHE 115 HD2 PHE 115 -8.525 2.929 8.930 912 HE1 PHE 115 HE1 PHE 115 -5.573 -0.864 7.979 913 HE2 PHE 115 HE2 PHE 115 -8.557 0.959 10.405 914 HZ PHE 115 HZ PHE 115 -7.080 -0.943 9.924 915 HA PRO 116 HA PRO 116 -11.172 0.683 5.698 916 1HB PRO 116 HB2 PRO 116 -9.921 -1.407 4.553 917 2HB PRO 116 HB1 PRO 116 -10.452 -0.005 3.615 918 1HG PRO 116 HG2 PRO 116 -7.722 -0.691 4.617 919 2HG PRO 116 HG1 PRO 116 -8.205 -0.005 3.056 920 1HD PRO 116 HD2 PRO 116 -7.200 1.469 5.144 921 2HD PRO 116 HD1 PRO 116 -8.247 2.129 3.874 922 HA PRO 117 HA PRO 117 -10.246 -1.305 9.588 923 1HB PRO 117 HB2 PRO 117 -12.272 -3.172 9.496 924 2HB PRO 117 HB1 PRO 117 -12.471 -1.499 10.026 925 1HG PRO 117 HG2 PRO 117 -13.059 -2.726 7.363 926 2HG PRO 117 HG1 PRO 117 -14.003 -1.539 8.284 927 1HD PRO 117 HD2 PRO 117 -12.477 -0.799 6.211 928 2HD PRO 117 HD1 PRO 117 -12.630 0.225 7.655 929 H ALA 118 HN ALA 118 -10.187 -2.879 6.534 930 HA ALA 118 HA ALA 118 -9.664 -5.518 7.306 931 1HB ALA 118 HB1 ALA 118 -8.444 -5.538 5.003 932 2HB ALA 118 HB2 ALA 118 -9.138 -3.924 4.845 933 3HB ALA 118 HB3 ALA 118 -10.193 -5.317 5.084 934 H ASN 119 HN ASN 119 -7.691 -2.800 7.836 935 HA ASN 119 HA ASN 119 -5.429 -4.587 8.365 936 1HB ASN 119 HB2 ASN 119 -5.533 -2.590 6.303 937 2HB ASN 119 HB1 ASN 119 -4.303 -2.144 7.478 938 1HD2 ASN 119 1HD2 ASN 119 -3.588 -4.793 8.238 939 2HD2 ASN 119 2HD2 ASN 119 -2.747 -5.502 6.908 940 H GLU 120 HN GLU 120 -7.068 -3.729 10.389 941 HA GLU 120 HA GLU 120 -6.184 -1.293 11.557 942 1HB GLU 120 HB2 GLU 120 -7.195 -2.953 13.616 943 2HB GLU 120 HB1 GLU 120 -7.969 -1.595 12.830 944 1HG GLU 120 HG2 GLU 120 -9.070 -2.982 11.284 945 2HG GLU 120 HG1 GLU 120 -8.087 -4.378 11.719 946 HA PRO 121 HA PRO 121 -3.766 -4.387 14.634 947 1HB PRO 121 HB2 PRO 121 -3.165 -6.307 12.420 948 2HB PRO 121 HB1 PRO 121 -3.329 -6.609 14.154 949 1HG PRO 121 HG2 PRO 121 -5.299 -7.221 12.460 950 2HG PRO 121 HG1 PRO 121 -5.640 -6.583 14.078 951 1HD PRO 121 HD2 PRO 121 -5.886 -5.260 11.437 952 2HD PRO 121 HD1 PRO 121 -6.768 -4.954 12.946 953 H VAL 122 HN VAL 122 -3.134 -3.842 11.219 954 HA VAL 122 HA VAL 122 -0.289 -3.630 11.523 955 HB VAL 122 HB VAL 122 -2.066 -2.782 9.226 956 1HG1 VAL 122 1HG1 VAL 122 -0.110 -1.615 8.837 957 2HG1 VAL 122 2HG1 VAL 122 0.194 -3.131 7.988 958 3HG1 VAL 122 3HG1 VAL 122 0.901 -2.855 9.579 959 1HG2 VAL 122 1HG2 VAL 122 -1.240 -4.880 8.180 960 2HG2 VAL 122 2HG2 VAL 122 -2.256 -5.145 9.599 961 3HG2 VAL 122 3HG2 VAL 122 -0.504 -5.310 9.724 962 H ILE 123 HN ILE 123 -2.929 -1.325 10.898 963 HA ILE 123 HA ILE 123 -1.309 0.986 11.027 964 HB ILE 123 HB ILE 123 -4.279 0.697 11.509 965 1HG1 ILE 123 2HG1 ILE 123 -3.401 0.021 9.249 966 2HG1 ILE 123 1HG1 ILE 123 -4.551 1.355 9.220 967 1HG2 ILE 123 1HG2 ILE 123 -4.126 3.202 10.765 968 2HG2 ILE 123 2HG2 ILE 123 -2.480 3.072 11.384 969 3HG2 ILE 123 3HG2 ILE 123 -3.851 2.753 12.448 970 1HD1 ILE 123 1HD1 ILE 123 -2.816 1.892 7.715 971 2HD1 ILE 123 2HD1 ILE 123 -1.569 1.494 8.900 972 3HD1 ILE 123 3HD1 ILE 123 -2.596 2.911 9.137 973 H ALA 124 HN ALA 124 -2.945 -0.932 13.453 974 HA ALA 124 HA ALA 124 -2.998 0.848 15.582 975 1HB ALA 124 HB1 ALA 124 -3.698 -1.737 15.278 976 2HB ALA 124 HB2 ALA 124 -3.574 -0.934 16.843 977 3HB ALA 124 HB3 ALA 124 -2.238 -1.922 16.251 978 H LYS 125 HN LYS 125 -0.319 -0.800 14.112 979 HA LYS 125 HA LYS 125 1.491 -0.363 16.311 980 1HB LYS 125 HB2 LYS 125 1.489 -1.861 13.879 981 2HB LYS 125 HB1 LYS 125 2.926 -0.850 13.908 982 1HG LYS 125 HG2 LYS 125 2.424 -2.189 16.444 983 2HG LYS 125 HG1 LYS 125 2.655 -3.305 15.097 984 1HD LYS 125 HD2 LYS 125 4.733 -2.009 14.520 985 2HD LYS 125 HD1 LYS 125 4.530 -1.144 16.045 986 1HE LYS 125 HE2 LYS 125 4.424 -4.084 16.215 987 2HE LYS 125 HE1 LYS 125 5.986 -3.402 15.765 988 1HZ LYS 125 HZ1 LYS 125 6.277 -2.503 17.793 989 2HZ LYS 125 HZ2 LYS 125 5.192 -3.706 18.279 990 3HZ LYS 125 HZ3 LYS 125 4.640 -2.131 18.005 991 H LEU 126 HN LEU 126 1.180 1.009 13.031 992 HA LEU 126 HA LEU 126 3.181 3.005 13.527 993 1HB LEU 126 HB2 LEU 126 2.452 1.895 11.284 994 2HB LEU 126 HB1 LEU 126 1.222 3.144 11.271 995 HG LEU 126 HG LEU 126 3.043 4.852 11.436 996 1HD1 LEU 126 1HD1 LEU 126 4.630 2.774 12.179 997 2HD1 LEU 126 2HD1 LEU 126 5.216 4.329 11.591 998 3HD1 LEU 126 3HD1 LEU 126 5.072 2.964 10.482 999 1HD2 LEU 126 1HD2 LEU 126 1.988 4.253 9.302 1000 2HD2 LEU 126 2HD2 LEU 126 3.205 2.999 9.064 1001 3HD2 LEU 126 3HD2 LEU 126 3.683 4.696 9.102 1002 H LYS 127 HN LYS 127 -0.294 2.835 13.712 1003 HA LYS 127 HA LYS 127 -0.968 5.533 13.631 1004 1HB LYS 127 HB2 LYS 127 -2.559 3.646 13.656 1005 2HB LYS 127 HB1 LYS 127 -2.225 3.401 15.359 1006 1HG LYS 127 HG2 LYS 127 -3.288 5.366 15.979 1007 2HG LYS 127 HG1 LYS 127 -3.193 6.047 14.354 1008 1HD LYS 127 HD2 LYS 127 -5.317 5.381 14.124 1009 2HD LYS 127 HD1 LYS 127 -4.659 3.750 13.973 1010 1HE LYS 127 HE2 LYS 127 -5.385 3.131 16.013 1011 2HE LYS 127 HE1 LYS 127 -5.019 4.698 16.732 1012 1HZ LYS 127 HZ1 LYS 127 -7.041 5.579 15.996 1013 2HZ LYS 127 HZ2 LYS 127 -7.443 4.044 16.578 1014 3HZ LYS 127 HZ3 LYS 127 -7.320 4.310 14.913 1015 H ARG 128 HN ARG 128 0.100 3.531 16.337 1016 HA ARG 128 HA ARG 128 -0.156 5.556 18.308 1017 1HB ARG 128 HB2 ARG 128 -0.048 3.208 18.940 1018 2HB ARG 128 HB1 ARG 128 1.556 3.063 18.238 1019 1HG ARG 128 HG2 ARG 128 2.506 4.452 19.919 1020 2HG ARG 128 HG1 ARG 128 0.912 4.899 20.529 1021 1HD ARG 128 HD2 ARG 128 1.526 2.012 20.458 1022 2HD ARG 128 HD1 ARG 128 2.438 2.974 21.620 1023 HE ARG 128 HE ARG 128 -0.113 3.754 22.051 1024 1HH1 ARG 128 1HH1 ARG 128 1.426 0.625 21.898 1025 2HH1 ARG 128 2HH1 ARG 128 0.324 -0.110 23.013 1026 1HH2 ARG 128 1HH2 ARG 128 -1.562 2.789 23.519 1027 2HH2 ARG 128 2HH2 ARG 128 -1.372 1.118 23.934 1028 H LEU 129 HN LEU 129 1.889 5.235 15.683 1029 HA LEU 129 HA LEU 129 3.749 6.351 14.993 1030 1HB LEU 129 HB2 LEU 129 2.711 8.086 17.179 1031 2HB LEU 129 HB1 LEU 129 4.320 8.414 16.567 1032 HG LEU 129 HG LEU 129 3.412 8.708 14.307 1033 1HD1 LEU 129 1HD1 LEU 129 1.453 7.146 14.745 1034 2HD1 LEU 129 2HD1 LEU 129 1.125 8.597 13.799 1035 3HD1 LEU 129 3HD1 LEU 129 0.663 8.530 15.500 1036 1HD2 LEU 129 1HD2 LEU 129 3.522 10.783 15.207 1037 2HD2 LEU 129 2HD2 LEU 129 2.550 10.347 16.612 1038 3HD2 LEU 129 3HD2 LEU 129 1.767 10.678 15.066 1039 1HO1 MO2 130 1HO1 MO2 130 -4.797 -2.382 -7.551 1040 2HO1 MO2 130 2HO1 MO2 130 -4.731 -4.291 -10.933 1041 1HO2 MO2 130 1HO2 MO2 130 -5.506 -2.504 -8.880 1042 2HO2 MO2 130 2HO2 MO2 130 -3.479 -4.295 -11.781 1043 1H5* 8OG 131 1H5* ODG 131 -9.039 -5.990 -3.376 1044 2H5* 8OG 131 2H5* ODG 131 -7.697 -5.936 -2.267 1045 H4* 8OG 131 1H4* ODG 131 -8.648 -7.818 -1.040 1046 H3* 8OG 131 1H3* ODG 131 -10.385 -8.054 -3.265 1047 1H2* 8OG 131 1H2* ODG 131 -12.359 -7.363 -2.474 1048 2H2* 8OG 131 2H2* ODG 131 -12.188 -8.406 -1.081 1049 H1* 8OG 131 1H1* ODG 131 -11.711 -6.692 0.231 1050 H1 8OG 131 H1 ODG 131 -15.410 -2.349 1.927 1051 H7 8OG 131 H7 ODG 131 -13.834 -3.111 -2.744 1052 1H2 8OG 131 H21 ODG 131 -13.754 -4.752 3.854 1053 2H2 8OG 131 H22 ODG 131 -14.873 -3.431 3.840 1054 H3T 8OG 131 *HO1 ODG 131 -10.138 -9.588 -0.846 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -10.817 -23.764 -0.819 2 2H MET 1 HT2 MET 1 -11.095 -22.693 -2.131 3 3H MET 1 HT3 MET 1 -11.087 -22.099 -0.521 4 HA MET 1 HA MET 1 -8.836 -22.380 -0.287 5 1HB MET 1 HB2 MET 1 -9.231 -24.216 -2.612 6 2HB MET 1 HB1 MET 1 -7.653 -23.471 -2.392 7 1HG MET 1 HG2 MET 1 -7.283 -25.323 -1.175 8 2HG MET 1 HG1 MET 1 -8.047 -24.363 0.092 9 1HE MET 1 HE1 MET 1 -11.340 -25.507 0.673 10 2HE MET 1 HE2 MET 1 -9.899 -24.586 1.102 11 3HE MET 1 HE3 MET 1 -10.056 -26.267 1.615 12 H LYS 2 HN LYS 2 -10.234 -20.228 -1.060 13 HA LYS 2 HA LYS 2 -8.921 -19.198 -3.477 14 1HB LYS 2 HB2 LYS 2 -11.542 -19.089 -2.805 15 2HB LYS 2 HB1 LYS 2 -10.986 -17.564 -2.129 16 1HG LYS 2 HG2 LYS 2 -11.742 -17.091 -4.308 17 2HG LYS 2 HG1 LYS 2 -9.979 -17.063 -4.383 18 1HD LYS 2 HD2 LYS 2 -9.896 -18.818 -5.782 19 2HD LYS 2 HD1 LYS 2 -11.155 -19.693 -4.909 20 1HE LYS 2 HE2 LYS 2 -12.611 -17.704 -6.017 21 2HE LYS 2 HE1 LYS 2 -11.354 -17.897 -7.237 22 1HZ LYS 2 HZ1 LYS 2 -13.368 -19.845 -6.333 23 2HZ LYS 2 HZ2 LYS 2 -11.919 -20.387 -7.017 24 3HZ LYS 2 HZ3 LYS 2 -12.954 -19.391 -7.909 25 H LYS 3 HN LYS 3 -6.981 -18.397 -2.915 26 HA LYS 3 HA LYS 3 -6.814 -16.661 -0.550 27 1HB LYS 3 HB2 LYS 3 -4.409 -17.011 -0.631 28 2HB LYS 3 HB1 LYS 3 -5.242 -18.559 -0.620 29 1HG LYS 3 HG2 LYS 3 -5.007 -18.368 -3.216 30 2HG LYS 3 HG1 LYS 3 -3.709 -17.245 -2.809 31 1HD LYS 3 HD2 LYS 3 -2.494 -19.166 -2.826 32 2HD LYS 3 HD1 LYS 3 -3.059 -19.234 -1.156 33 1HE LYS 3 HE2 LYS 3 -3.686 -21.319 -1.772 34 2HE LYS 3 HE1 LYS 3 -5.111 -20.461 -2.356 35 1HZ LYS 3 HZ1 LYS 3 -2.937 -21.692 -3.860 36 2HZ LYS 3 HZ2 LYS 3 -3.580 -20.259 -4.489 37 3HZ LYS 3 HZ3 LYS 3 -4.586 -21.592 -4.227 38 H LEU 4 HN LEU 4 -5.993 -14.579 -0.689 39 HA LEU 4 HA LEU 4 -5.371 -13.555 -3.366 40 1HB LEU 4 HB2 LEU 4 -6.868 -11.731 -3.202 41 2HB LEU 4 HB1 LEU 4 -7.790 -13.173 -2.820 42 HG LEU 4 HG LEU 4 -7.067 -12.418 -0.329 43 1HD1 LEU 4 1HD1 LEU 4 -7.417 -9.962 -0.198 44 2HD1 LEU 4 2HD1 LEU 4 -7.288 -9.891 -1.955 45 3HD1 LEU 4 3HD1 LEU 4 -5.911 -10.425 -0.991 46 1HD2 LEU 4 1HD2 LEU 4 -9.414 -10.975 -1.370 47 2HD2 LEU 4 2HD2 LEU 4 -9.282 -12.119 -0.035 48 3HD2 LEU 4 3HD2 LEU 4 -9.376 -12.707 -1.695 49 H GLN 5 HN GLN 5 -3.600 -12.324 -3.364 50 HA GLN 5 HA GLN 5 -2.564 -11.413 -0.786 51 1HB GLN 5 HB2 GLN 5 -1.142 -11.671 -3.432 52 2HB GLN 5 HB1 GLN 5 -0.399 -11.246 -1.895 53 1HG GLN 5 HG2 GLN 5 -1.418 -13.507 -1.109 54 2HG GLN 5 HG1 GLN 5 -1.467 -13.861 -2.828 55 1HE2 GLN 5 1HE2 GLN 5 0.549 -13.740 -4.012 56 2HE2 GLN 5 2HE2 GLN 5 2.032 -14.105 -3.205 57 H ILE 6 HN ILE 6 -1.522 -9.364 -0.636 58 HA ILE 6 HA ILE 6 -2.182 -7.354 -2.625 59 HB ILE 6 HB ILE 6 -3.022 -7.130 0.269 60 1HG1 ILE 6 2HG1 ILE 6 -4.696 -7.230 -2.250 61 2HG1 ILE 6 1HG1 ILE 6 -4.502 -8.558 -1.108 62 1HG2 ILE 6 1HG2 ILE 6 -3.910 -4.957 -0.323 63 2HG2 ILE 6 2HG2 ILE 6 -3.349 -5.157 -1.982 64 3HG2 ILE 6 3HG2 ILE 6 -2.183 -5.026 -0.666 65 1HD1 ILE 6 1HD1 ILE 6 -6.617 -7.303 -0.849 66 2HD1 ILE 6 2HD1 ILE 6 -5.674 -5.878 -0.409 67 3HD1 ILE 6 3HD1 ILE 6 -5.622 -7.320 0.607 68 H ALA 7 HN ALA 7 -0.540 -5.940 -2.836 69 HA ALA 7 HA ALA 7 1.446 -5.779 -0.661 70 1HB ALA 7 HB1 ALA 7 2.649 -6.944 -2.250 71 2HB ALA 7 HB2 ALA 7 3.047 -5.282 -2.671 72 3HB ALA 7 HB3 ALA 7 1.837 -6.162 -3.603 73 H VAL 8 HN VAL 8 1.718 -3.763 0.086 74 HA VAL 8 HA VAL 8 1.064 -1.543 -1.728 75 HB VAL 8 HB VAL 8 -0.417 -0.594 -0.348 76 1HG1 VAL 8 1HG1 VAL 8 -0.355 -3.252 1.072 77 2HG1 VAL 8 2HG1 VAL 8 -1.213 -2.918 -0.433 78 3HG1 VAL 8 3HG1 VAL 8 -1.691 -2.100 1.055 79 1HG2 VAL 8 1HG2 VAL 8 1.383 -1.420 1.913 80 2HG2 VAL 8 2HG2 VAL 8 -0.154 -0.600 2.170 81 3HG2 VAL 8 3HG2 VAL 8 1.131 0.195 1.256 82 H GLY 9 HN GLY 9 1.938 0.530 -1.065 83 1HA GLY 9 HA2 GLY 9 4.265 0.440 0.686 84 2HA GLY 9 HA1 GLY 9 4.553 0.826 -1.002 85 H ILE 10 HN ILE 10 3.927 2.105 1.991 86 HA ILE 10 HA ILE 10 2.318 4.345 1.252 87 HB ILE 10 HB ILE 10 4.108 4.790 3.541 88 1HG1 ILE 10 2HG1 ILE 10 3.961 2.403 3.854 89 2HG1 ILE 10 1HG1 ILE 10 2.878 3.172 5.008 90 1HG2 ILE 10 1HG2 ILE 10 1.916 5.958 2.779 91 2HG2 ILE 10 2HG2 ILE 10 2.226 5.714 4.498 92 3HG2 ILE 10 3HG2 ILE 10 1.130 4.634 3.637 93 1HD1 ILE 10 1HD1 ILE 10 2.292 1.188 3.072 94 2HD1 ILE 10 2HD1 ILE 10 1.385 2.645 2.669 95 3HD1 ILE 10 3HD1 ILE 10 1.222 1.919 4.268 96 H ILE 11 HN ILE 11 3.105 5.523 -0.410 97 HA ILE 11 HA ILE 11 5.863 6.093 -0.759 98 HB ILE 11 HB ILE 11 3.840 7.825 -2.073 99 1HG1 ILE 11 2HG1 ILE 11 4.106 4.855 -2.441 100 2HG1 ILE 11 1HG1 ILE 11 2.647 5.838 -2.384 101 1HG2 ILE 11 1HG2 ILE 11 5.970 6.402 -3.541 102 2HG2 ILE 11 2HG2 ILE 11 6.502 7.570 -2.334 103 3HG2 ILE 11 3HG2 ILE 11 5.443 8.080 -3.649 104 1HD1 ILE 11 1HD1 ILE 11 3.171 6.746 -4.582 105 2HD1 ILE 11 2HD1 ILE 11 3.062 4.987 -4.620 106 3HD1 ILE 11 3HD1 ILE 11 4.640 5.773 -4.632 107 H ARG 12 HN ARG 12 7.057 7.480 0.250 108 HA ARG 12 HA ARG 12 5.852 9.629 1.803 109 1HB ARG 12 HB2 ARG 12 8.340 8.101 1.896 110 2HB ARG 12 HB1 ARG 12 8.590 9.825 2.138 111 1HG ARG 12 HG2 ARG 12 6.349 8.971 3.687 112 2HG ARG 12 HG1 ARG 12 7.727 7.919 4.005 113 1HD ARG 12 HD2 ARG 12 8.994 10.247 4.102 114 2HD ARG 12 HD1 ARG 12 7.384 10.817 4.539 115 HE ARG 12 HE ARG 12 7.693 8.748 6.203 116 1HH1 ARG 12 1HH1 ARG 12 9.824 11.403 5.424 117 2HH1 ARG 12 2HH1 ARG 12 10.581 11.412 6.981 118 1HH2 ARG 12 1HH2 ARG 12 8.687 8.765 8.250 119 2HH2 ARG 12 2HH2 ARG 12 9.935 9.917 8.585 120 H ASN 13 HN ASN 13 6.194 11.764 1.494 121 HA ASN 13 HA ASN 13 7.257 12.523 -1.125 122 1HB ASN 13 HB2 ASN 13 6.020 14.737 0.170 123 2HB ASN 13 HB1 ASN 13 5.520 13.896 -1.286 124 1HD2 ASN 13 1HD2 ASN 13 4.180 15.056 1.212 125 2HD2 ASN 13 2HD2 ASN 13 3.060 13.821 1.659 126 H GLU 14 HN GLU 14 7.816 15.086 -0.905 127 HA GLU 14 HA GLU 14 10.393 15.103 0.287 128 1HB GLU 14 HB2 GLU 14 10.025 16.223 -1.800 129 2HB GLU 14 HB1 GLU 14 8.748 17.212 -1.097 130 1HG GLU 14 HG2 GLU 14 10.202 18.691 -0.228 131 2HG GLU 14 HG1 GLU 14 11.371 17.446 0.212 132 H ASN 15 HN ASN 15 7.374 15.819 1.613 133 HA ASN 15 HA ASN 15 8.603 17.629 3.585 134 1HB ASN 15 HB2 ASN 15 6.723 18.602 2.329 135 2HB ASN 15 HB1 ASN 15 5.676 17.312 2.904 136 1HD2 ASN 15 1HD2 ASN 15 7.784 19.907 4.042 137 2HD2 ASN 15 2HD2 ASN 15 6.853 20.289 5.446 138 H ASN 16 HN ASN 16 8.794 14.717 3.662 139 HA ASN 16 HA ASN 16 8.692 13.036 5.193 140 1HB ASN 16 HB2 ASN 16 8.720 15.462 6.688 141 2HB ASN 16 HB1 ASN 16 7.676 14.310 7.509 142 1HD2 ASN 16 1HD2 ASN 16 8.610 12.905 8.807 143 2HD2 ASN 16 2HD2 ASN 16 10.287 12.490 8.813 144 H GLU 17 HN GLU 17 6.133 14.247 3.822 145 HA GLU 17 HA GLU 17 4.160 12.862 5.489 146 1HB GLU 17 HB2 GLU 17 2.856 14.089 3.304 147 2HB GLU 17 HB1 GLU 17 2.796 14.557 4.991 148 1HG GLU 17 HG2 GLU 17 4.673 16.043 4.683 149 2HG GLU 17 HG1 GLU 17 4.834 15.527 3.006 150 H ILE 18 HN ILE 18 2.561 11.500 4.298 151 HA ILE 18 HA ILE 18 3.924 10.118 2.086 152 HB ILE 18 HB ILE 18 3.193 9.112 4.558 153 1HG1 ILE 18 2HG1 ILE 18 3.458 7.113 2.420 154 2HG1 ILE 18 1HG1 ILE 18 4.710 8.346 2.435 155 1HG2 ILE 18 1HG2 ILE 18 0.834 9.067 3.755 156 2HG2 ILE 18 2HG2 ILE 18 1.472 7.497 4.234 157 3HG2 ILE 18 3HG2 ILE 18 1.334 7.906 2.526 158 1HD1 ILE 18 1HD1 ILE 18 5.429 6.452 3.714 159 2HD1 ILE 18 2HD1 ILE 18 3.971 6.522 4.702 160 3HD1 ILE 18 3HD1 ILE 18 5.161 7.819 4.795 161 H PHE 19 HN PHE 19 2.901 9.849 0.217 162 HA PHE 19 HA PHE 19 0.301 11.052 -0.151 163 1HB PHE 19 HB2 PHE 19 1.785 11.559 -1.893 164 2HB PHE 19 HB1 PHE 19 2.405 9.916 -1.973 165 HD1 PHE 19 HD1 PHE 19 1.108 8.157 -3.098 166 HD2 PHE 19 HD2 PHE 19 -0.146 12.224 -3.117 167 HE1 PHE 19 HE1 PHE 19 -0.409 7.676 -4.975 168 HE2 PHE 19 HE2 PHE 19 -1.665 11.750 -4.994 169 HZ PHE 19 HZ PHE 19 -1.798 9.474 -5.924 170 H ILE 20 HN ILE 20 -1.420 9.880 0.448 171 HA ILE 20 HA ILE 20 -1.541 7.067 -0.428 172 HB ILE 20 HB ILE 20 -3.368 7.530 1.738 173 1HG1 ILE 20 2HG1 ILE 20 -1.412 7.647 3.482 174 2HG1 ILE 20 1HG1 ILE 20 -0.544 8.449 2.178 175 1HG2 ILE 20 1HG2 ILE 20 -0.919 5.782 1.627 176 2HG2 ILE 20 2HG2 ILE 20 -2.478 5.371 0.912 177 3HG2 ILE 20 3HG2 ILE 20 -2.336 5.574 2.658 178 1HD1 ILE 20 1HD1 ILE 20 -2.591 9.993 2.052 179 2HD1 ILE 20 2HD1 ILE 20 -1.463 10.194 3.393 180 3HD1 ILE 20 3HD1 ILE 20 -2.988 9.345 3.643 181 H THR 21 HN THR 21 -3.765 6.255 -0.748 182 HA THR 21 HA THR 21 -5.294 8.160 -2.276 183 HB THR 21 HB THR 21 -6.527 6.332 -3.073 184 HG1 THR 21 HG1 THR 21 -7.259 5.344 -1.275 185 1HG2 THR 21 1HG2 THR 21 -4.174 6.118 -3.735 186 2HG2 THR 21 2HG2 THR 21 -4.991 4.561 -3.612 187 3HG2 THR 21 3HG2 THR 21 -3.893 5.082 -2.336 188 H ARG 22 HN ARG 22 -6.610 9.539 -1.281 189 HA ARG 22 HA ARG 22 -8.170 8.565 1.024 190 1HB ARG 22 HB2 ARG 22 -6.370 10.410 1.354 191 2HB ARG 22 HB1 ARG 22 -7.535 11.465 0.567 192 1HG ARG 22 HG2 ARG 22 -8.762 9.918 2.681 193 2HG ARG 22 HG1 ARG 22 -7.390 10.858 3.268 194 1HD ARG 22 HD2 ARG 22 -9.849 11.853 1.848 195 2HD ARG 22 HD1 ARG 22 -9.318 12.229 3.485 196 HE ARG 22 HE ARG 22 -8.442 13.473 1.054 197 1HH1 ARG 22 1HH1 ARG 22 -7.559 12.727 4.346 198 2HH1 ARG 22 2HH1 ARG 22 -6.423 14.028 4.468 199 1HH2 ARG 22 1HH2 ARG 22 -6.949 15.185 1.212 200 2HH2 ARG 22 2HH2 ARG 22 -6.077 15.424 2.690 201 H ARG 23 HN ARG 23 -10.205 9.911 1.368 202 HA ARG 23 HA ARG 23 -11.868 9.632 -0.868 203 1HB ARG 23 HB2 ARG 23 -13.338 9.684 0.799 204 2HB ARG 23 HB1 ARG 23 -12.135 10.353 1.882 205 1HG ARG 23 HG2 ARG 23 -13.667 12.105 -0.004 206 2HG ARG 23 HG1 ARG 23 -14.327 11.626 1.559 207 1HD ARG 23 HD2 ARG 23 -11.710 12.469 2.076 208 2HD ARG 23 HD1 ARG 23 -12.369 13.644 0.943 209 HE ARG 23 HE ARG 23 -13.809 14.376 2.574 210 1HH1 ARG 23 1HH1 ARG 23 -12.360 11.364 3.585 211 2HH1 ARG 23 2HH1 ARG 23 -12.970 11.470 5.202 212 1HH2 ARG 23 1HH2 ARG 23 -14.610 14.515 4.701 213 2HH2 ARG 23 2HH2 ARG 23 -14.247 13.259 5.835 214 H ALA 24 HN ALA 24 -9.693 12.089 -0.098 215 HA ALA 24 HA ALA 24 -9.064 13.905 -1.342 216 1HB ALA 24 HB1 ALA 24 -9.704 13.956 -3.473 217 2HB ALA 24 HB2 ALA 24 -11.394 14.206 -3.037 218 3HB ALA 24 HB3 ALA 24 -10.734 12.573 -3.098 219 H ALA 25 HN ALA 25 -12.602 14.261 -1.527 220 HA ALA 25 HA ALA 25 -12.725 16.047 0.702 221 1HB ALA 25 HB1 ALA 25 -12.768 17.196 -2.078 222 2HB ALA 25 HB2 ALA 25 -11.720 17.640 -0.731 223 3HB ALA 25 HB3 ALA 25 -13.438 18.035 -0.679 224 H ASP 26 HN ASP 26 -14.532 16.242 -2.341 225 HA ASP 26 HA ASP 26 -16.930 15.404 -0.869 226 1HB ASP 26 HB2 ASP 26 -16.425 17.579 -2.624 227 2HB ASP 26 HB1 ASP 26 -17.607 16.526 -3.390 228 H ALA 27 HN ALA 27 -15.058 13.503 -1.913 229 HA ALA 27 HA ALA 27 -16.579 12.324 -4.141 230 1HB ALA 27 HB1 ALA 27 -14.511 12.256 -5.022 231 2HB ALA 27 HB2 ALA 27 -14.326 10.822 -4.013 232 3HB ALA 27 HB3 ALA 27 -13.724 12.381 -3.449 233 H HIS 28 HN HIS 28 -17.116 10.103 -4.086 234 HA HIS 28 HA HIS 28 -18.038 9.167 -1.596 235 1HB HIS 28 HB2 HIS 28 -17.945 8.134 -4.370 236 2HB HIS 28 HB1 HIS 28 -18.090 6.921 -3.102 237 HD1 HIS 28 HD1 HIS 28 -19.730 10.185 -2.485 238 HD2 HIS 28 HD2 HIS 28 -20.752 6.449 -3.988 239 HE1 HIS 28 HE1 HIS 28 -22.244 10.146 -2.536 240 HE2 HIS 28 HE2 HIS 28 -22.840 7.843 -3.366 241 H MET 29 HN MET 29 -17.501 6.660 -1.121 242 HA MET 29 HA MET 29 -16.028 5.232 -0.141 243 1HB MET 29 HB2 MET 29 -13.949 6.310 -2.040 244 2HB MET 29 HB1 MET 29 -14.016 4.714 -1.304 245 1HG MET 29 HG2 MET 29 -16.261 4.511 -2.603 246 2HG MET 29 HG1 MET 29 -15.593 5.818 -3.579 247 1HE MET 29 HE1 MET 29 -16.546 2.986 -4.444 248 2HE MET 29 HE2 MET 29 -15.743 1.931 -3.279 249 3HE MET 29 HE3 MET 29 -15.276 1.885 -4.979 250 H ALA 30 HN ALA 30 -16.262 6.786 1.689 251 HA ALA 30 HA ALA 30 -13.987 8.512 2.200 252 1HB ALA 30 HB1 ALA 30 -15.271 9.542 3.746 253 2HB ALA 30 HB2 ALA 30 -15.959 8.031 4.340 254 3HB ALA 30 HB3 ALA 30 -16.579 8.759 2.859 255 H ASN 31 HN ASN 31 -15.131 5.355 3.104 256 HA ASN 31 HA ASN 31 -13.146 5.136 5.236 257 1HB ASN 31 HB2 ASN 31 -15.700 4.140 4.991 258 2HB ASN 31 HB1 ASN 31 -14.707 2.738 4.603 259 1HD2 ASN 31 1HD2 ASN 31 -16.044 4.579 7.049 260 2HD2 ASN 31 2HD2 ASN 31 -15.164 3.921 8.383 261 H LYS 32 HN LYS 32 -12.529 5.220 2.263 262 HA LYS 32 HA LYS 32 -11.113 2.651 2.115 263 1HB LYS 32 HB2 LYS 32 -12.743 4.003 0.186 264 2HB LYS 32 HB1 LYS 32 -11.105 3.857 -0.437 265 1HG LYS 32 HG2 LYS 32 -11.206 1.594 -0.577 266 2HG LYS 32 HG1 LYS 32 -12.312 1.447 0.790 267 1HD LYS 32 HD2 LYS 32 -13.400 2.833 -1.569 268 2HD LYS 32 HD1 LYS 32 -13.035 1.123 -1.801 269 1HE LYS 32 HE2 LYS 32 -14.600 2.088 0.571 270 2HE LYS 32 HE1 LYS 32 -15.382 1.761 -0.975 271 1HZ LYS 32 HZ1 LYS 32 -15.578 -0.236 0.129 272 2HZ LYS 32 HZ2 LYS 32 -14.058 -0.120 0.863 273 3HZ LYS 32 HZ3 LYS 32 -14.175 -0.494 -0.782 274 H LEU 33 HN LEU 33 -10.271 5.132 3.417 275 HA LEU 33 HA LEU 33 -8.253 6.396 1.884 276 1HB LEU 33 HB2 LEU 33 -9.349 7.174 4.078 277 2HB LEU 33 HB1 LEU 33 -8.199 6.125 4.878 278 HG LEU 33 HG LEU 33 -7.515 8.481 3.126 279 1HD1 LEU 33 1HD1 LEU 33 -7.084 8.147 6.082 280 2HD1 LEU 33 2HD1 LEU 33 -8.476 8.977 5.388 281 3HD1 LEU 33 3HD1 LEU 33 -6.851 9.599 5.109 282 1HD2 LEU 33 1HD2 LEU 33 -5.778 6.508 4.590 283 2HD2 LEU 33 2HD2 LEU 33 -5.203 8.069 4.005 284 3HD2 LEU 33 3HD2 LEU 33 -5.794 6.863 2.862 285 H GLU 34 HN GLU 34 -7.286 4.488 0.897 286 HA GLU 34 HA GLU 34 -5.345 3.179 2.683 287 1HB GLU 34 HB2 GLU 34 -7.341 1.933 1.251 288 2HB GLU 34 HB1 GLU 34 -5.945 1.751 0.198 289 1HG GLU 34 HG2 GLU 34 -4.710 0.862 2.222 290 2HG GLU 34 HG1 GLU 34 -6.280 0.786 3.020 291 H PHE 35 HN PHE 35 -3.719 1.969 0.938 292 HA PHE 35 HA PHE 35 -2.635 4.173 -0.684 293 1HB PHE 35 HB2 PHE 35 -0.490 2.478 -0.070 294 2HB PHE 35 HB1 PHE 35 -0.795 4.080 0.586 295 HD1 PHE 35 HD1 PHE 35 -2.064 0.609 1.146 296 HD2 PHE 35 HD2 PHE 35 -0.653 4.237 2.864 297 HE1 PHE 35 HE1 PHE 35 -2.304 -0.365 3.393 298 HE2 PHE 35 HE2 PHE 35 -0.890 3.270 5.112 299 HZ PHE 35 HZ PHE 35 -1.717 0.966 5.379 300 HA PRO 36 HA PRO 36 -2.480 1.815 -4.401 301 1HB PRO 36 HB2 PRO 36 0.267 2.034 -4.945 302 2HB PRO 36 HB1 PRO 36 -0.993 3.141 -5.487 303 1HG PRO 36 HG2 PRO 36 0.868 3.367 -3.175 304 2HG PRO 36 HG1 PRO 36 0.222 4.637 -4.230 305 1HD PRO 36 HD2 PRO 36 -0.710 4.294 -1.749 306 2HD PRO 36 HD1 PRO 36 -1.797 4.732 -3.084 307 H GLY 37 HN GLY 37 -1.392 -0.125 -5.404 308 1HA GLY 37 HA2 GLY 37 0.042 -2.035 -5.134 309 2HA GLY 37 HA1 GLY 37 0.025 -1.741 -3.421 310 H GLY 38 HN GLY 38 -2.336 -2.302 -5.921 311 1HA GLY 38 HA2 GLY 38 -3.617 -4.348 -4.225 312 2HA GLY 38 HA1 GLY 38 -4.519 -3.278 -5.293 313 H LYS 39 HN LYS 39 -4.695 -6.126 -5.386 314 HA LYS 39 HA LYS 39 -4.536 -7.908 -6.735 315 1HB LYS 39 HB2 LYS 39 -4.504 -7.252 -9.262 316 2HB LYS 39 HB1 LYS 39 -5.931 -7.005 -8.278 317 1HG LYS 39 HG2 LYS 39 -4.527 -4.633 -8.040 318 2HG LYS 39 HG1 LYS 39 -4.311 -5.098 -9.718 319 1HD LYS 39 HD2 LYS 39 -6.886 -4.647 -8.229 320 2HD LYS 39 HD1 LYS 39 -6.269 -3.760 -9.623 321 1HE LYS 39 HE2 LYS 39 -7.652 -5.100 -10.785 322 2HE LYS 39 HE1 LYS 39 -6.350 -6.278 -10.617 323 1HZ LYS 39 HZ1 LYS 39 -7.853 -6.473 -8.309 324 2HZ LYS 39 HZ2 LYS 39 -7.802 -7.578 -9.589 325 3HZ LYS 39 HZ3 LYS 39 -8.981 -6.367 -9.567 326 H ILE 40 HN ILE 40 -2.028 -6.657 -5.832 327 HA ILE 40 HA ILE 40 -0.040 -6.936 -7.805 328 HB ILE 40 HB ILE 40 1.538 -6.710 -6.140 329 1HG1 ILE 40 2HG1 ILE 40 0.368 -7.467 -3.675 330 2HG1 ILE 40 1HG1 ILE 40 -0.015 -8.748 -4.806 331 1HG2 ILE 40 1HG2 ILE 40 0.776 -5.078 -4.613 332 2HG2 ILE 40 2HG2 ILE 40 -0.855 -5.749 -4.605 333 3HG2 ILE 40 3HG2 ILE 40 -0.247 -4.929 -6.037 334 1HD1 ILE 40 1HD1 ILE 40 2.053 -9.517 -4.791 335 2HD1 ILE 40 2HD1 ILE 40 2.300 -8.490 -3.383 336 3HD1 ILE 40 3HD1 ILE 40 2.748 -7.908 -4.986 337 H GLU 41 HN GLU 41 -1.780 -9.008 -5.757 338 HA GLU 41 HA GLU 41 -0.539 -11.345 -5.500 339 1HB GLU 41 HB2 GLU 41 -2.917 -12.338 -6.124 340 2HB GLU 41 HB1 GLU 41 -2.659 -11.411 -4.658 341 1HG GLU 41 HG2 GLU 41 -4.205 -9.957 -5.274 342 2HG GLU 41 HG1 GLU 41 -3.342 -9.583 -6.748 343 H MET 42 HN MET 42 -2.822 -11.181 -8.186 344 HA MET 42 HA MET 42 -2.817 -12.336 -10.179 345 1HB MET 42 HB2 MET 42 -0.236 -10.775 -10.210 346 2HB MET 42 HB1 MET 42 -0.823 -11.650 -11.619 347 1HG MET 42 HG2 MET 42 -2.425 -9.548 -10.191 348 2HG MET 42 HG1 MET 42 -1.360 -9.207 -11.553 349 1HE MET 42 HE1 MET 42 -4.425 -10.381 -10.130 350 2HE MET 42 HE2 MET 42 -4.624 -11.920 -10.968 351 3HE MET 42 HE3 MET 42 -5.561 -10.514 -11.473 352 H GLY 43 HN GLY 43 0.693 -12.492 -9.796 353 1HA GLY 43 HA2 GLY 43 0.818 -15.178 -8.910 354 2HA GLY 43 HA1 GLY 43 0.938 -15.116 -10.653 355 H GLU 44 HN GLU 44 2.164 -12.644 -8.543 356 HA GLU 44 HA GLU 44 4.841 -13.125 -9.615 357 1HB GLU 44 HB2 GLU 44 3.491 -10.818 -8.282 358 2HB GLU 44 HB1 GLU 44 5.245 -10.918 -8.242 359 1HG GLU 44 HG2 GLU 44 5.148 -9.811 -10.173 360 2HG GLU 44 HG1 GLU 44 4.745 -11.380 -10.870 361 H THR 45 HN THR 45 6.557 -12.246 -7.756 362 HA THR 45 HA THR 45 6.228 -14.203 -5.589 363 HB THR 45 HB THR 45 8.884 -13.061 -5.805 364 HG1 THR 45 HG1 THR 45 7.943 -14.406 -8.112 365 1HG2 THR 45 1HG2 THR 45 9.054 -15.082 -4.847 366 2HG2 THR 45 2HG2 THR 45 9.215 -15.619 -6.520 367 3HG2 THR 45 3HG2 THR 45 7.656 -15.730 -5.703 368 HA PRO 46 HA PRO 46 5.842 -11.318 -2.289 369 1HB PRO 46 HB2 PRO 46 8.209 -12.016 -0.876 370 2HB PRO 46 HB1 PRO 46 6.570 -12.590 -0.572 371 1HG PRO 46 HG2 PRO 46 8.770 -13.874 -2.093 372 2HG PRO 46 HG1 PRO 46 7.461 -14.619 -1.157 373 1HD PRO 46 HD2 PRO 46 7.425 -14.643 -3.823 374 2HD PRO 46 HD1 PRO 46 5.930 -14.400 -2.898 375 H GLU 47 HN GLU 47 8.856 -11.558 -4.044 376 HA GLU 47 HA GLU 47 9.680 -8.909 -3.131 377 1HB GLU 47 HB2 GLU 47 11.039 -11.284 -4.091 378 2HB GLU 47 HB1 GLU 47 11.584 -9.840 -4.935 379 1HG GLU 47 HG2 GLU 47 12.078 -8.777 -2.789 380 2HG GLU 47 HG1 GLU 47 11.545 -10.233 -1.950 381 H GLN 48 HN GLN 48 9.114 -10.628 -6.230 382 HA GLN 48 HA GLN 48 9.431 -8.185 -7.724 383 1HB GLN 48 HB2 GLN 48 8.536 -10.951 -8.539 384 2HB GLN 48 HB1 GLN 48 8.738 -9.615 -9.664 385 1HG GLN 48 HG2 GLN 48 11.105 -9.471 -9.064 386 2HG GLN 48 HG1 GLN 48 10.897 -10.822 -7.949 387 1HE2 GLN 48 1HE2 GLN 48 12.148 -10.107 -10.800 388 2HE2 GLN 48 2HE2 GLN 48 11.906 -11.589 -11.653 389 H ALA 49 HN ALA 49 6.768 -9.918 -6.330 390 HA ALA 49 HA ALA 49 4.668 -9.037 -7.919 391 1HB ALA 49 HB1 ALA 49 3.236 -9.725 -6.241 392 2HB ALA 49 HB2 ALA 49 4.347 -9.253 -4.956 393 3HB ALA 49 HB3 ALA 49 4.679 -10.686 -5.929 394 H VAL 50 HN VAL 50 6.108 -7.468 -5.086 395 HA VAL 50 HA VAL 50 4.405 -5.159 -5.375 396 HB VAL 50 HB VAL 50 4.924 -5.054 -3.196 397 1HG1 VAL 50 1HG1 VAL 50 6.917 -6.081 -2.163 398 2HG1 VAL 50 2HG1 VAL 50 7.473 -6.552 -3.767 399 3HG1 VAL 50 3HG1 VAL 50 5.968 -7.214 -3.124 400 1HG2 VAL 50 1HG2 VAL 50 6.777 -3.637 -2.619 401 2HG2 VAL 50 2HG2 VAL 50 6.100 -3.093 -4.155 402 3HG2 VAL 50 3HG2 VAL 50 7.597 -4.025 -4.133 403 H VAL 51 HN VAL 51 7.879 -5.805 -5.831 404 HA VAL 51 HA VAL 51 8.650 -3.306 -6.738 405 HB VAL 51 HB VAL 51 9.711 -5.953 -7.747 406 1HG1 VAL 51 1HG1 VAL 51 10.941 -4.652 -9.082 407 2HG1 VAL 51 2HG1 VAL 51 11.794 -4.152 -7.621 408 3HG1 VAL 51 3HG1 VAL 51 10.455 -3.183 -8.236 409 1HG2 VAL 51 1HG2 VAL 51 11.130 -4.456 -5.634 410 2HG2 VAL 51 2HG2 VAL 51 10.942 -6.194 -5.863 411 3HG2 VAL 51 3HG2 VAL 51 9.631 -5.251 -5.156 412 H ARG 52 HN ARG 52 7.067 -5.929 -8.468 413 HA ARG 52 HA ARG 52 7.246 -4.606 -11.012 414 1HB ARG 52 HB2 ARG 52 5.697 -7.023 -10.072 415 2HB ARG 52 HB1 ARG 52 5.588 -6.401 -11.712 416 1HG ARG 52 HG2 ARG 52 8.329 -6.667 -11.146 417 2HG ARG 52 HG1 ARG 52 7.546 -8.137 -10.563 418 1HD ARG 52 HD2 ARG 52 8.129 -8.549 -12.817 419 2HD ARG 52 HD1 ARG 52 6.388 -8.266 -12.799 420 HE ARG 52 HE ARG 52 7.949 -5.909 -13.337 421 1HH1 ARG 52 1HH1 ARG 52 6.407 -8.709 -14.740 422 2HH1 ARG 52 2HH1 ARG 52 6.259 -7.996 -16.311 423 1HH2 ARG 52 1HH2 ARG 52 7.755 -4.970 -15.404 424 2HH2 ARG 52 2HH2 ARG 52 7.025 -5.874 -16.689 425 H GLU 53 HN GLU 53 4.792 -5.128 -8.546 426 HA GLU 53 HA GLU 53 2.660 -3.839 -9.868 427 1HB GLU 53 HB2 GLU 53 2.093 -5.245 -8.056 428 2HB GLU 53 HB1 GLU 53 3.255 -4.477 -6.985 429 1HG GLU 53 HG2 GLU 53 1.255 -3.671 -6.196 430 2HG GLU 53 HG1 GLU 53 1.762 -2.378 -7.276 431 H LEU 54 HN LEU 54 5.383 -2.684 -8.055 432 HA LEU 54 HA LEU 54 4.501 -0.180 -7.251 433 1HB LEU 54 HB2 LEU 54 6.887 -1.579 -7.229 434 2HB LEU 54 HB1 LEU 54 7.248 -0.173 -8.212 435 HG LEU 54 HG LEU 54 6.618 1.310 -6.426 436 1HD1 LEU 54 1HD1 LEU 54 6.296 -0.498 -4.247 437 2HD1 LEU 54 2HD1 LEU 54 5.122 -0.897 -5.501 438 3HD1 LEU 54 3HD1 LEU 54 5.183 0.736 -4.838 439 1HD2 LEU 54 1HD2 LEU 54 8.215 -0.571 -4.852 440 2HD2 LEU 54 2HD2 LEU 54 8.557 1.089 -5.335 441 3HD2 LEU 54 3HD2 LEU 54 8.832 -0.233 -6.468 442 H GLN 55 HN GLN 55 5.943 -1.163 -10.343 443 HA GLN 55 HA GLN 55 5.985 1.418 -11.487 444 1HB GLN 55 HB2 GLN 55 7.038 -0.871 -12.285 445 2HB GLN 55 HB1 GLN 55 5.530 -1.011 -13.176 446 1HG GLN 55 HG2 GLN 55 7.329 -0.052 -14.528 447 2HG GLN 55 HG1 GLN 55 5.974 1.059 -14.332 448 1HE2 GLN 55 1HE2 GLN 55 6.965 2.977 -14.529 449 2HE2 GLN 55 2HE2 GLN 55 8.235 3.539 -13.502 450 H GLU 56 HN GLU 56 3.572 -1.089 -11.238 451 HA GLU 56 HA GLU 56 1.670 0.178 -12.971 452 1HB GLU 56 HB2 GLU 56 1.948 -2.345 -12.196 453 2HB GLU 56 HB1 GLU 56 0.839 -1.832 -10.938 454 1HG GLU 56 HG2 GLU 56 -0.035 -0.966 -13.555 455 2HG GLU 56 HG1 GLU 56 0.182 -2.715 -13.476 456 H GLU 57 HN GLU 57 2.451 0.324 -9.567 457 HA GLU 57 HA GLU 57 -0.025 1.840 -9.108 458 1HB GLU 57 HB2 GLU 57 1.799 0.510 -7.108 459 2HB GLU 57 HB1 GLU 57 0.331 1.394 -6.717 460 1HG GLU 57 HG2 GLU 57 0.482 -1.101 -8.389 461 2HG GLU 57 HG1 GLU 57 -0.024 -1.016 -6.704 462 H VAL 58 HN VAL 58 2.991 2.558 -9.960 463 HA VAL 58 HA VAL 58 2.960 5.069 -8.439 464 HB VAL 58 HB VAL 58 5.503 3.545 -9.025 465 1HG1 VAL 58 1HG1 VAL 58 6.395 5.566 -8.694 466 2HG1 VAL 58 2HG1 VAL 58 5.987 5.334 -6.994 467 3HG1 VAL 58 3HG1 VAL 58 4.890 6.222 -8.052 468 1HG2 VAL 58 1HG2 VAL 58 3.595 3.183 -6.895 469 2HG2 VAL 58 2HG2 VAL 58 5.149 3.717 -6.257 470 3HG2 VAL 58 3HG2 VAL 58 5.058 2.269 -7.257 471 H GLY 59 HN GLY 59 4.263 3.266 -11.173 472 1HA GLY 59 HA2 GLY 59 4.730 3.862 -13.322 473 2HA GLY 59 HA1 GLY 59 3.531 5.113 -13.098 474 H ILE 60 HN ILE 60 5.950 5.658 -10.843 475 HA ILE 60 HA ILE 60 7.384 7.399 -12.717 476 HB ILE 60 HB ILE 60 7.790 8.529 -10.240 477 1HG1 ILE 60 2HG1 ILE 60 4.854 8.537 -10.299 478 2HG1 ILE 60 1HG1 ILE 60 5.578 7.028 -9.767 479 1HG2 ILE 60 1HG2 ILE 60 5.702 9.406 -12.212 480 2HG2 ILE 60 2HG2 ILE 60 7.437 9.612 -12.454 481 3HG2 ILE 60 3HG2 ILE 60 6.633 10.420 -11.108 482 1HD1 ILE 60 1HD1 ILE 60 5.370 8.136 -7.783 483 2HD1 ILE 60 2HD1 ILE 60 5.679 9.713 -8.509 484 3HD1 ILE 60 3HD1 ILE 60 7.010 8.587 -8.246 485 H THR 61 HN THR 61 9.447 8.239 -11.226 486 HA THR 61 HA THR 61 10.846 5.765 -10.523 487 HB THR 61 HB THR 61 12.835 7.283 -11.083 488 HG1 THR 61 HG1 THR 61 12.293 9.245 -11.501 489 1HG2 THR 61 1HG2 THR 61 12.147 5.495 -12.596 490 2HG2 THR 61 2HG2 THR 61 12.659 6.928 -13.489 491 3HG2 THR 61 3HG2 THR 61 10.939 6.572 -13.302 492 HA PRO 62 HA PRO 62 11.104 8.210 -6.667 493 1HB PRO 62 HB2 PRO 62 9.409 6.884 -5.185 494 2HB PRO 62 HB1 PRO 62 8.789 7.719 -6.614 495 1HG PRO 62 HG2 PRO 62 9.264 4.811 -6.190 496 2HG PRO 62 HG1 PRO 62 8.019 5.616 -7.161 497 1HD PRO 62 HD2 PRO 62 10.586 4.611 -8.028 498 2HD PRO 62 HD1 PRO 62 9.321 5.388 -8.995 499 H GLN 63 HN GLN 63 12.443 7.896 -4.881 500 HA GLN 63 HA GLN 63 13.871 5.388 -4.693 501 1HB GLN 63 HB2 GLN 63 13.895 7.594 -2.630 502 2HB GLN 63 HB1 GLN 63 15.152 6.413 -2.966 503 1HG GLN 63 HG2 GLN 63 15.689 7.479 -5.038 504 2HG GLN 63 HG1 GLN 63 14.316 8.573 -4.882 505 1HE2 GLN 63 1HE2 GLN 63 17.018 7.535 -2.820 506 2HE2 GLN 63 2HE2 GLN 63 17.505 9.128 -2.365 507 H HIS 64 HN HIS 64 12.000 4.136 -4.484 508 HA HIS 64 HA HIS 64 10.704 4.214 -1.845 509 1HB HIS 64 HB2 HIS 64 9.059 4.770 -3.427 510 2HB HIS 64 HB1 HIS 64 9.727 3.698 -4.614 511 HD1 HIS 64 HD1 HIS 64 6.695 3.901 -3.531 512 HD2 HIS 64 HD2 HIS 64 9.453 0.897 -2.727 513 HE1 HIS 64 HE1 HIS 64 5.335 1.870 -2.950 514 HE2 HIS 64 HE2 HIS 64 7.026 0.093 -2.387 515 H PHE 65 HN PHE 65 10.744 2.406 -0.630 516 HA PHE 65 HA PHE 65 10.906 -0.218 -1.581 517 1HB PHE 65 HB2 PHE 65 13.250 1.011 -2.035 518 2HB PHE 65 HB1 PHE 65 13.528 0.478 -0.388 519 HD1 PHE 65 HD1 PHE 65 15.017 -1.308 -0.528 520 HD2 PHE 65 HD2 PHE 65 11.694 -1.148 -3.181 521 HE1 PHE 65 HE1 PHE 65 15.593 -3.545 -1.381 522 HE2 PHE 65 HE2 PHE 65 12.262 -3.382 -4.037 523 HZ PHE 65 HZ PHE 65 14.212 -4.584 -3.139 524 H SER 66 HN SER 66 12.894 -0.831 0.683 525 HA SER 66 HA SER 66 12.780 -1.563 2.816 526 1HB SER 66 HB2 SER 66 11.248 0.908 3.534 527 2HB SER 66 HB1 SER 66 12.546 0.106 4.415 528 HG SER 66 HG SER 66 12.784 1.604 2.017 529 H LEU 67 HN LEU 67 11.260 -1.841 4.781 530 HA LEU 67 HA LEU 67 8.503 -2.298 3.939 531 1HB LEU 67 HB2 LEU 67 9.569 -4.410 3.537 532 2HB LEU 67 HB1 LEU 67 10.344 -4.373 5.110 533 HG LEU 67 HG LEU 67 7.385 -4.294 5.115 534 1HD1 LEU 67 1HD1 LEU 67 8.265 -5.998 3.333 535 2HD1 LEU 67 2HD1 LEU 67 6.999 -6.461 4.470 536 3HD1 LEU 67 3HD1 LEU 67 8.666 -6.959 4.756 537 1HD2 LEU 67 1HD2 LEU 67 7.649 -5.064 7.203 538 2HD2 LEU 67 2HD2 LEU 67 9.329 -4.565 7.001 539 3HD2 LEU 67 3HD2 LEU 67 8.868 -6.244 6.720 540 H PHE 68 HN PHE 68 7.222 -1.336 5.362 541 HA PHE 68 HA PHE 68 8.176 -0.579 7.959 542 1HB PHE 68 HB2 PHE 68 6.680 1.042 7.577 543 2HB PHE 68 HB1 PHE 68 6.020 0.164 6.206 544 HD1 PHE 68 HD1 PHE 68 5.790 0.481 9.899 545 HD2 PHE 68 HD2 PHE 68 3.883 -0.743 6.303 546 HE1 PHE 68 HE1 PHE 68 3.683 0.159 11.128 547 HE2 PHE 68 HE2 PHE 68 1.775 -1.071 7.520 548 HZ PHE 68 HZ PHE 68 1.666 -0.613 9.935 549 H GLU 69 HN GLU 69 5.496 -2.630 6.824 550 HA GLU 69 HA GLU 69 5.998 -4.673 8.711 551 1HB GLU 69 HB2 GLU 69 4.257 -2.486 9.559 552 2HB GLU 69 HB1 GLU 69 3.462 -4.052 9.643 553 1HG GLU 69 HG2 GLU 69 5.521 -4.844 10.911 554 2HG GLU 69 HG1 GLU 69 5.939 -3.138 11.062 555 H LYS 70 HN LYS 70 5.117 -6.510 7.952 556 HA LYS 70 HA LYS 70 2.818 -6.281 6.125 557 1HB LYS 70 HB2 LYS 70 3.783 -7.881 4.616 558 2HB LYS 70 HB1 LYS 70 4.959 -6.601 4.878 559 1HG LYS 70 HG2 LYS 70 5.020 -9.223 6.349 560 2HG LYS 70 HG1 LYS 70 5.877 -8.933 4.835 561 1HD LYS 70 HD2 LYS 70 7.566 -8.066 5.987 562 2HD LYS 70 HD1 LYS 70 6.500 -6.779 6.549 563 1HE LYS 70 HE2 LYS 70 6.666 -7.571 8.616 564 2HE LYS 70 HE1 LYS 70 5.918 -9.077 8.088 565 1HZ LYS 70 HZ1 LYS 70 7.866 -9.927 8.785 566 2HZ LYS 70 HZ2 LYS 70 8.712 -8.474 8.599 567 3HZ LYS 70 HZ3 LYS 70 8.411 -9.453 7.255 568 H LEU 71 HN LEU 71 1.194 -7.699 6.519 569 HA LEU 71 HA LEU 71 1.755 -10.104 8.090 570 1HB LEU 71 HB2 LEU 71 -0.318 -9.634 9.452 571 2HB LEU 71 HB1 LEU 71 1.086 -8.646 9.811 572 HG LEU 71 HG LEU 71 -0.024 -6.944 8.169 573 1HD1 LEU 71 1HD1 LEU 71 -1.886 -7.829 7.260 574 2HD1 LEU 71 2HD1 LEU 71 -2.627 -7.276 8.762 575 3HD1 LEU 71 3HD1 LEU 71 -2.130 -8.960 8.591 576 1HD2 LEU 71 1HD2 LEU 71 -0.287 -7.457 11.010 577 2HD2 LEU 71 2HD2 LEU 71 -1.667 -6.565 10.370 578 3HD2 LEU 71 3HD2 LEU 71 -0.034 -5.936 10.155 579 H GLU 72 HN GLU 72 -0.066 -11.647 8.082 580 HA GLU 72 HA GLU 72 -1.750 -11.350 5.689 581 1HB GLU 72 HB2 GLU 72 -0.156 -12.907 4.992 582 2HB GLU 72 HB1 GLU 72 -0.042 -13.649 6.580 583 1HG GLU 72 HG2 GLU 72 -2.041 -14.828 6.297 584 2HG GLU 72 HG1 GLU 72 -2.531 -13.839 4.924 585 H TYR 73 HN TYR 73 -3.849 -11.513 6.089 586 HA TYR 73 HA TYR 73 -4.723 -12.981 8.491 587 1HB TYR 73 HB2 TYR 73 -5.028 -10.562 8.774 588 2HB TYR 73 HB1 TYR 73 -5.958 -10.496 7.281 589 HD1 TYR 73 HD1 TYR 73 -5.955 -12.133 10.633 590 HD2 TYR 73 HD2 TYR 73 -8.271 -10.689 7.369 591 HE1 TYR 73 HE1 TYR 73 -8.012 -12.575 11.905 592 HE2 TYR 73 HE2 TYR 73 -10.335 -11.126 8.632 593 HH TYR 73 HH TYR 73 -10.989 -11.328 11.077 594 H GLU 74 HN GLU 74 -6.757 -14.080 8.338 595 HA GLU 74 HA GLU 74 -7.597 -14.584 5.560 596 1HB GLU 74 HB2 GLU 74 -8.271 -16.893 6.459 597 2HB GLU 74 HB1 GLU 74 -6.565 -16.584 6.172 598 1HG GLU 74 HG2 GLU 74 -6.581 -15.905 8.699 599 2HG GLU 74 HG1 GLU 74 -8.036 -16.896 8.740 600 H PHE 75 HN PHE 75 -9.578 -14.019 5.133 601 HA PHE 75 HA PHE 75 -11.423 -13.197 7.136 602 1HB PHE 75 HB2 PHE 75 -11.241 -13.191 4.205 603 2HB PHE 75 HB1 PHE 75 -12.876 -13.387 4.816 604 HD1 PHE 75 HD1 PHE 75 -9.860 -11.250 5.209 605 HD2 PHE 75 HD2 PHE 75 -14.103 -11.512 5.409 606 HE1 PHE 75 HE1 PHE 75 -9.988 -8.822 5.588 607 HE2 PHE 75 HE2 PHE 75 -14.239 -9.085 5.788 608 HZ PHE 75 HZ PHE 75 -12.180 -7.736 5.878 609 HA PRO 76 HA PRO 76 -13.877 -16.725 8.086 610 1HB PRO 76 HB2 PRO 76 -16.382 -15.961 7.064 611 2HB PRO 76 HB1 PRO 76 -15.779 -15.658 8.694 612 1HG PRO 76 HG2 PRO 76 -15.828 -13.858 6.324 613 2HG PRO 76 HG1 PRO 76 -16.024 -13.465 8.042 614 1HD PRO 76 HD2 PRO 76 -13.744 -12.938 6.739 615 2HD PRO 76 HD1 PRO 76 -13.732 -13.473 8.431 616 H ASP 77 HN ASP 77 -12.691 -17.928 6.502 617 HA ASP 77 HA ASP 77 -12.923 -19.769 5.096 618 1HB ASP 77 HB2 ASP 77 -15.211 -18.358 3.714 619 2HB ASP 77 HB1 ASP 77 -14.731 -20.042 3.542 620 H ARG 78 HN ARG 78 -11.724 -16.942 4.749 621 HA ARG 78 HA ARG 78 -10.777 -17.438 2.023 622 1HB ARG 78 HB2 ARG 78 -12.573 -15.563 2.226 623 2HB ARG 78 HB1 ARG 78 -11.267 -14.623 2.936 624 1HG ARG 78 HG2 ARG 78 -11.084 -14.006 0.749 625 2HG ARG 78 HG1 ARG 78 -9.973 -15.376 0.785 626 1HD ARG 78 HD2 ARG 78 -11.409 -15.509 -1.165 627 2HD ARG 78 HD1 ARG 78 -11.762 -16.833 -0.054 628 HE ARG 78 HE ARG 78 -13.880 -16.018 0.147 629 1HH1 ARG 78 1HH1 ARG 78 -11.829 -13.447 -1.020 630 2HH1 ARG 78 2HH1 ARG 78 -13.138 -12.337 -1.247 631 1HH2 ARG 78 1HH2 ARG 78 -15.604 -14.560 -0.152 632 2HH2 ARG 78 2HH2 ARG 78 -15.281 -12.968 -0.754 633 H HIS 79 HN HIS 79 -8.650 -16.708 1.607 634 HA HIS 79 HA HIS 79 -7.129 -15.949 4.014 635 1HB HIS 79 HB2 HIS 79 -6.858 -18.350 2.986 636 2HB HIS 79 HB1 HIS 79 -5.871 -17.514 1.792 637 HD1 HIS 79 HD1 HIS 79 -4.611 -19.585 3.671 638 HD2 HIS 79 HD2 HIS 79 -4.727 -15.506 4.452 639 HE1 HIS 79 HE1 HIS 79 -2.727 -19.155 5.281 640 HE2 HIS 79 HE2 HIS 79 -2.873 -16.695 5.807 641 H ILE 80 HN ILE 80 -6.677 -13.845 3.750 642 HA ILE 80 HA ILE 80 -5.688 -12.990 1.121 643 HB ILE 80 HB ILE 80 -6.622 -10.919 1.352 644 1HG1 ILE 80 2HG1 ILE 80 -6.580 -11.277 4.356 645 2HG1 ILE 80 1HG1 ILE 80 -5.500 -10.261 3.404 646 1HG2 ILE 80 1HG2 ILE 80 -8.863 -11.180 1.863 647 2HG2 ILE 80 2HG2 ILE 80 -8.533 -12.251 3.224 648 3HG2 ILE 80 3HG2 ILE 80 -8.334 -12.838 1.573 649 1HD1 ILE 80 1HD1 ILE 80 -7.840 -9.210 2.662 650 2HD1 ILE 80 2HD1 ILE 80 -6.936 -8.661 4.074 651 3HD1 ILE 80 3HD1 ILE 80 -8.278 -9.789 4.271 652 H THR 81 HN THR 81 -3.930 -11.483 1.037 653 HA THR 81 HA THR 81 -2.237 -11.485 3.446 654 HB THR 81 HB THR 81 -0.859 -11.502 0.832 655 HG1 THR 81 HG1 THR 81 -1.079 -13.846 0.790 656 1HG2 THR 81 1HG2 THR 81 -0.309 -13.370 3.083 657 2HG2 THR 81 2HG2 THR 81 0.138 -11.670 3.225 658 3HG2 THR 81 3HG2 THR 81 0.801 -12.652 1.918 659 H LEU 82 HN LEU 82 -1.435 -9.543 4.015 660 HA LEU 82 HA LEU 82 -1.568 -7.363 2.034 661 1HB LEU 82 HB2 LEU 82 -3.311 -7.470 3.996 662 2HB LEU 82 HB1 LEU 82 -1.981 -6.842 4.948 663 HG LEU 82 HG LEU 82 -1.861 -4.859 3.574 664 1HD1 LEU 82 1HD1 LEU 82 -2.329 -5.559 1.406 665 2HD1 LEU 82 2HD1 LEU 82 -3.705 -4.545 1.838 666 3HD1 LEU 82 3HD1 LEU 82 -3.858 -6.302 1.876 667 1HD2 LEU 82 1HD2 LEU 82 -4.757 -5.378 4.206 668 2HD2 LEU 82 2HD2 LEU 82 -3.918 -3.828 4.182 669 3HD2 LEU 82 3HD2 LEU 82 -3.539 -5.016 5.429 670 H TRP 83 HN TRP 83 0.435 -6.682 1.586 671 HA TRP 83 HA TRP 83 2.434 -6.711 3.750 672 1HB TRP 83 HB2 TRP 83 3.370 -6.338 0.962 673 2HB TRP 83 HB1 TRP 83 4.095 -7.246 2.278 674 HD1 TRP 83 HD1 TRP 83 1.241 -9.058 2.537 675 HE1 TRP 83 HE1 TRP 83 1.004 -10.997 0.869 676 HE3 TRP 83 HE3 TRP 83 4.658 -7.550 -0.946 677 HZ2 TRP 83 HZ2 TRP 83 2.118 -11.790 -1.596 678 HZ3 TRP 83 HZ3 TRP 83 5.017 -8.959 -2.930 679 HH2 TRP 83 HH2 TRP 83 3.773 -11.036 -3.246 680 H PHE 84 HN PHE 84 3.436 -4.857 4.334 681 HA PHE 84 HA PHE 84 2.761 -2.448 2.785 682 1HB PHE 84 HB2 PHE 84 3.202 -2.521 5.768 683 2HB PHE 84 HB1 PHE 84 2.725 -1.133 4.812 684 HD1 PHE 84 HD1 PHE 84 0.592 -0.482 5.280 685 HD2 PHE 84 HD2 PHE 84 1.465 -4.648 5.090 686 HE1 PHE 84 HE1 PHE 84 -1.775 -0.997 5.693 687 HE2 PHE 84 HE2 PHE 84 -0.901 -5.163 5.499 688 HZ PHE 84 HZ PHE 84 -2.524 -3.337 5.804 689 H TRP 85 HN TRP 85 4.468 -1.547 1.843 690 HA TRP 85 HA TRP 85 7.126 -2.022 2.976 691 1HB TRP 85 HB2 TRP 85 6.233 -1.165 0.225 692 2HB TRP 85 HB1 TRP 85 7.924 -1.176 0.728 693 HD1 TRP 85 HD1 TRP 85 5.023 -3.763 0.876 694 HE1 TRP 85 HE1 TRP 85 5.964 -6.042 0.155 695 HE3 TRP 85 HE3 TRP 85 9.872 -2.403 0.001 696 HZ2 TRP 85 HZ2 TRP 85 8.438 -7.127 -0.675 697 HZ3 TRP 85 HZ3 TRP 85 11.463 -4.120 -0.752 698 HH2 TRP 85 HH2 TRP 85 10.759 -6.434 -1.084 699 H LEU 86 HN LEU 86 8.615 -0.311 3.325 700 HA LEU 86 HA LEU 86 7.282 2.229 3.887 701 1HB LEU 86 HB2 LEU 86 8.415 1.385 5.765 702 2HB LEU 86 HB1 LEU 86 9.848 0.996 4.835 703 HG LEU 86 HG LEU 86 10.319 3.401 4.569 704 1HD1 LEU 86 1HD1 LEU 86 8.911 4.773 6.380 705 2HD1 LEU 86 2HD1 LEU 86 7.681 3.613 5.878 706 3HD1 LEU 86 3HD1 LEU 86 8.445 4.659 4.683 707 1HD2 LEU 86 1HD2 LEU 86 10.912 3.847 6.927 708 2HD2 LEU 86 2HD2 LEU 86 11.363 2.226 6.400 709 3HD2 LEU 86 3HD2 LEU 86 9.935 2.460 7.407 710 H VAL 87 HN VAL 87 7.247 3.484 2.170 711 HA VAL 87 HA VAL 87 9.462 3.721 0.312 712 HB VAL 87 HB VAL 87 6.984 5.379 0.414 713 1HG1 VAL 87 1HG1 VAL 87 7.599 5.041 -2.201 714 2HG1 VAL 87 2HG1 VAL 87 9.198 5.058 -1.461 715 3HG1 VAL 87 3HG1 VAL 87 8.101 6.414 -1.217 716 1HG2 VAL 87 1HG2 VAL 87 7.419 2.637 -0.750 717 2HG2 VAL 87 2HG2 VAL 87 6.109 3.698 -1.285 718 3HG2 VAL 87 3HG2 VAL 87 6.174 3.152 0.390 719 H GLU 88 HN GLU 88 10.704 5.579 -0.029 720 HA GLU 88 HA GLU 88 10.557 7.422 2.239 721 1HB GLU 88 HB2 GLU 88 12.653 6.137 1.981 722 2HB GLU 88 HB1 GLU 88 12.916 6.921 0.430 723 1HG GLU 88 HG2 GLU 88 14.196 8.262 1.725 724 2HG GLU 88 HG1 GLU 88 12.656 9.101 1.908 725 H ARG 89 HN ARG 89 10.844 7.514 -1.340 726 HA ARG 89 HA ARG 89 9.653 10.116 -1.327 727 1HB ARG 89 HB2 ARG 89 11.657 11.123 -2.621 728 2HB ARG 89 HB1 ARG 89 11.707 11.062 -0.865 729 1HG ARG 89 HG2 ARG 89 12.950 8.821 -1.217 730 2HG ARG 89 HG1 ARG 89 13.215 9.425 -2.854 731 1HD ARG 89 HD2 ARG 89 15.103 10.007 -1.481 732 2HD ARG 89 HD1 ARG 89 14.217 11.471 -1.895 733 HE ARG 89 HE ARG 89 14.411 10.223 0.735 734 1HH1 ARG 89 1HH1 ARG 89 13.046 12.750 -1.257 735 2HH1 ARG 89 2HH1 ARG 89 12.599 13.738 0.092 736 1HH2 ARG 89 1HH2 ARG 89 13.818 11.523 2.502 737 2HH2 ARG 89 2HH2 ARG 89 13.035 13.042 2.223 738 H TRP 90 HN TRP 90 9.479 11.061 -3.552 739 HA TRP 90 HA TRP 90 9.806 9.126 -5.690 740 1HB TRP 90 HB2 TRP 90 7.549 9.077 -6.381 741 2HB TRP 90 HB1 TRP 90 7.512 8.814 -4.643 742 HD1 TRP 90 HD1 TRP 90 6.893 11.644 -7.207 743 HE1 TRP 90 HE1 TRP 90 5.123 13.231 -6.217 744 HE3 TRP 90 HE3 TRP 90 6.417 9.538 -2.578 745 HZ2 TRP 90 HZ2 TRP 90 3.711 13.541 -3.797 746 HZ3 TRP 90 HZ3 TRP 90 4.829 10.531 -0.986 747 HH2 TRP 90 HH2 TRP 90 3.504 12.497 -1.581 748 H GLU 91 HN GLU 91 10.431 10.027 -7.554 749 HA GLU 91 HA GLU 91 10.753 12.891 -7.649 750 1HB GLU 91 HB2 GLU 91 12.257 10.911 -8.616 751 2HB GLU 91 HB1 GLU 91 11.270 11.198 -10.042 752 1HG GLU 91 HG2 GLU 91 12.498 13.552 -8.729 753 2HG GLU 91 HG1 GLU 91 13.558 12.459 -9.617 754 H GLY 92 HN GLY 92 8.982 14.073 -8.045 755 1HA GLY 92 HA2 GLY 92 7.563 15.037 -9.706 756 2HA GLY 92 HA1 GLY 92 7.483 13.471 -10.500 757 H GLU 93 HN GLU 93 5.528 12.612 -10.387 758 HA GLU 93 HA GLU 93 4.076 12.765 -7.843 759 1HB GLU 93 HB2 GLU 93 2.700 13.088 -10.505 760 2HB GLU 93 HB1 GLU 93 2.017 13.326 -8.902 761 1HG GLU 93 HG2 GLU 93 3.112 15.353 -8.599 762 2HG GLU 93 HG1 GLU 93 4.290 15.014 -9.866 763 HA PRO 94 HA PRO 94 3.628 8.410 -8.678 764 1HB PRO 94 HB2 PRO 94 1.669 8.225 -6.563 765 2HB PRO 94 HB1 PRO 94 3.350 7.690 -6.550 766 1HG PRO 94 HG2 PRO 94 2.406 9.765 -5.041 767 2HG PRO 94 HG1 PRO 94 4.089 9.620 -5.578 768 1HD PRO 94 HD2 PRO 94 1.869 11.275 -6.719 769 2HD PRO 94 HD1 PRO 94 3.578 11.690 -6.483 770 H TRP 95 HN TRP 95 2.401 7.431 -10.174 771 HA TRP 95 HA TRP 95 -0.450 8.102 -10.209 772 1HB TRP 95 HB2 TRP 95 -0.389 8.009 -12.706 773 2HB TRP 95 HB1 TRP 95 0.465 9.373 -12.006 774 HD1 TRP 95 HD1 TRP 95 3.068 9.522 -12.417 775 HE1 TRP 95 HE1 TRP 95 4.656 8.336 -14.069 776 HE3 TRP 95 HE3 TRP 95 0.065 5.619 -13.738 777 HZ2 TRP 95 HZ2 TRP 95 4.609 6.054 -15.732 778 HZ3 TRP 95 HZ3 TRP 95 0.898 3.981 -15.372 779 HH2 TRP 95 HH2 TRP 95 3.130 4.188 -16.338 780 H GLY 96 HN GLY 96 1.895 5.872 -11.692 781 1HA GLY 96 HA2 GLY 96 1.669 3.643 -12.269 782 2HA GLY 96 HA1 GLY 96 0.999 3.510 -10.653 783 H LYS 97 HN LYS 97 -1.206 3.302 -10.368 784 HA LYS 97 HA LYS 97 -3.244 3.806 -12.134 785 1HB LYS 97 HB2 LYS 97 -1.692 1.450 -12.900 786 2HB LYS 97 HB1 LYS 97 -3.404 1.102 -12.700 787 1HG LYS 97 HG2 LYS 97 -2.742 3.521 -14.251 788 2HG LYS 97 HG1 LYS 97 -2.324 1.972 -14.989 789 1HD LYS 97 HD2 LYS 97 -4.605 1.209 -14.780 790 2HD LYS 97 HD1 LYS 97 -5.049 2.673 -13.900 791 1HE LYS 97 HE2 LYS 97 -5.777 2.856 -16.195 792 2HE LYS 97 HE1 LYS 97 -4.478 4.009 -15.892 793 1HZ LYS 97 HZ1 LYS 97 -4.038 2.986 -17.961 794 2HZ LYS 97 HZ2 LYS 97 -4.301 1.432 -17.347 795 3HZ LYS 97 HZ3 LYS 97 -2.941 2.311 -16.862 796 H GLU 98 HN GLU 98 -2.813 3.727 -9.349 797 HA GLU 98 HA GLU 98 -3.961 1.477 -8.090 798 1HB GLU 98 HB2 GLU 98 -4.443 3.200 -6.223 799 2HB GLU 98 HB1 GLU 98 -2.771 2.870 -6.650 800 1HG GLU 98 HG2 GLU 98 -2.407 4.983 -7.202 801 2HG GLU 98 HG1 GLU 98 -3.838 5.035 -8.228 802 H GLY 99 HN GLY 99 -5.389 4.503 -9.284 803 1HA GLY 99 HA2 GLY 99 -7.568 4.530 -10.255 804 2HA GLY 99 HA1 GLY 99 -7.996 3.153 -9.257 805 H GLN 100 HN GLN 100 -6.353 5.413 -7.386 806 HA GLN 100 HA GLN 100 -8.789 6.897 -6.719 807 1HB GLN 100 HB2 GLN 100 -7.274 5.077 -4.884 808 2HB GLN 100 HB1 GLN 100 -8.078 6.499 -4.235 809 1HG GLN 100 HG2 GLN 100 -9.808 5.098 -4.003 810 2HG GLN 100 HG1 GLN 100 -10.075 5.463 -5.708 811 1HE2 GLN 100 1HE2 GLN 100 -11.162 3.409 -5.774 812 2HE2 GLN 100 2HE2 GLN 100 -10.244 1.956 -5.953 813 HA PRO 101 HA PRO 101 -5.569 10.060 -7.280 814 1HB PRO 101 HB2 PRO 101 -8.022 11.466 -6.281 815 2HB PRO 101 HB1 PRO 101 -6.874 11.979 -7.525 816 1HG PRO 101 HG2 PRO 101 -9.192 10.941 -8.236 817 2HG PRO 101 HG1 PRO 101 -7.712 10.461 -9.090 818 1HD PRO 101 HD2 PRO 101 -9.322 8.949 -7.095 819 2HD PRO 101 HD1 PRO 101 -8.378 8.351 -8.474 820 H GLY 102 HN GLY 102 -4.211 10.984 -5.814 821 1HA GLY 102 HA2 GLY 102 -5.100 11.123 -3.006 822 2HA GLY 102 HA1 GLY 102 -3.574 10.356 -3.416 823 H GLU 103 HN GLU 103 -3.286 12.240 -1.662 824 HA GLU 103 HA GLU 103 -1.939 14.368 -3.119 825 1HB GLU 103 HB2 GLU 103 -4.309 15.118 -2.515 826 2HB GLU 103 HB1 GLU 103 -3.779 15.078 -0.839 827 1HG GLU 103 HG2 GLU 103 -2.236 16.812 -1.172 828 2HG GLU 103 HG1 GLU 103 -2.326 16.666 -2.926 829 H TRP 104 HN TRP 104 -0.379 15.530 -1.777 830 HA TRP 104 HA TRP 104 1.064 13.811 -0.080 831 1HB TRP 104 HB2 TRP 104 1.372 16.802 0.061 832 2HB TRP 104 HB1 TRP 104 2.616 15.563 0.154 833 HD1 TRP 104 HD1 TRP 104 2.067 13.989 -2.505 834 HE1 TRP 104 HE1 TRP 104 2.538 15.095 -4.782 835 HE3 TRP 104 HE3 TRP 104 1.927 18.895 -1.071 836 HZ2 TRP 104 HZ2 TRP 104 2.814 17.703 -5.831 837 HZ3 TRP 104 HZ3 TRP 104 2.304 20.633 -2.771 838 HH2 TRP 104 HH2 TRP 104 2.740 20.048 -5.101 839 H MET 105 HN MET 105 0.207 13.075 1.768 840 HA MET 105 HA MET 105 -0.922 15.047 3.638 841 1HB MET 105 HB2 MET 105 -2.809 13.850 3.420 842 2HB MET 105 HB1 MET 105 -1.978 12.482 2.700 843 1HG MET 105 HG2 MET 105 -1.370 11.655 4.883 844 2HG MET 105 HG1 MET 105 -2.061 13.084 5.649 845 1HE MET 105 HE1 MET 105 -4.248 12.845 6.862 846 2HE MET 105 HE2 MET 105 -5.706 12.427 5.963 847 3HE MET 105 HE3 MET 105 -4.658 13.722 5.388 848 H SER 106 HN SER 106 -0.700 14.518 5.920 849 HA SER 106 HA SER 106 1.970 13.543 6.479 850 1HB SER 106 HB2 SER 106 1.277 14.204 8.879 851 2HB SER 106 HB1 SER 106 1.458 15.493 7.690 852 HG SER 106 HG SER 106 -0.661 15.799 7.666 853 H LEU 107 HN LEU 107 2.439 11.538 7.091 854 HA LEU 107 HA LEU 107 0.329 9.636 7.570 855 1HB LEU 107 HB2 LEU 107 2.628 9.329 6.353 856 2HB LEU 107 HB1 LEU 107 3.225 9.015 7.969 857 HG LEU 107 HG LEU 107 2.625 6.976 6.628 858 1HD1 LEU 107 1HD1 LEU 107 0.822 6.890 8.954 859 2HD1 LEU 107 2HD1 LEU 107 2.476 7.413 9.278 860 3HD1 LEU 107 3HD1 LEU 107 2.178 5.847 8.523 861 1HD2 LEU 107 1HD2 LEU 107 -0.236 7.522 7.249 862 2HD2 LEU 107 2HD2 LEU 107 0.472 6.469 6.025 863 3HD2 LEU 107 3HD2 LEU 107 0.472 8.217 5.791 864 H VAL 108 HN VAL 108 2.323 11.632 9.509 865 HA VAL 108 HA VAL 108 2.639 10.145 11.828 866 HB VAL 108 HB VAL 108 3.683 12.341 11.475 867 1HG1 VAL 108 1HG1 VAL 108 1.330 13.251 10.647 868 2HG1 VAL 108 2HG1 VAL 108 2.567 14.316 11.314 869 3HG1 VAL 108 3HG1 VAL 108 1.231 13.773 12.328 870 1HG2 VAL 108 1HG2 VAL 108 3.177 11.273 13.785 871 2HG2 VAL 108 2HG2 VAL 108 2.032 12.604 13.955 872 3HG2 VAL 108 3HG2 VAL 108 3.746 12.941 13.710 873 H GLY 109 HN GLY 109 -0.267 11.402 10.463 874 1HA GLY 109 HA2 GLY 109 -1.694 10.607 12.918 875 2HA GLY 109 HA1 GLY 109 -2.113 12.088 12.076 876 H LEU 110 HN LEU 110 -1.371 8.843 10.816 877 HA LEU 110 HA LEU 110 -3.440 8.910 8.903 878 1HB LEU 110 HB2 LEU 110 -1.401 7.452 8.830 879 2HB LEU 110 HB1 LEU 110 -2.139 6.449 10.064 880 HG LEU 110 HG LEU 110 -3.758 6.935 7.635 881 1HD1 LEU 110 1HD1 LEU 110 -1.784 6.567 6.452 882 2HD1 LEU 110 2HD1 LEU 110 -2.515 4.966 6.562 883 3HD1 LEU 110 3HD1 LEU 110 -1.183 5.402 7.633 884 1HD2 LEU 110 1HD2 LEU 110 -4.532 5.545 9.503 885 2HD2 LEU 110 2HD2 LEU 110 -3.151 4.478 9.269 886 3HD2 LEU 110 3HD2 LEU 110 -4.379 4.620 8.010 887 H ASN 111 HN ASN 111 -5.445 7.770 8.834 888 HA ASN 111 HA ASN 111 -6.504 7.104 11.497 889 1HB ASN 111 HB2 ASN 111 -7.371 9.064 9.604 890 2HB ASN 111 HB1 ASN 111 -8.637 7.860 9.802 891 1HD2 ASN 111 1HD2 ASN 111 -8.760 7.187 12.280 892 2HD2 ASN 111 2HD2 ASN 111 -8.953 8.532 13.345 893 H ALA 112 HN ALA 112 -7.130 5.095 11.746 894 HA ALA 112 HA ALA 112 -7.404 3.275 9.552 895 1HB ALA 112 HB1 ALA 112 -8.235 2.799 12.419 896 2HB ALA 112 HB2 ALA 112 -6.578 2.636 11.843 897 3HB ALA 112 HB3 ALA 112 -7.840 1.585 11.201 898 H ASP 113 HN ASP 113 -9.472 5.518 11.065 899 HA ASP 113 HA ASP 113 -11.944 4.140 10.746 900 1HB ASP 113 HB2 ASP 113 -11.224 6.316 12.150 901 2HB ASP 113 HB1 ASP 113 -11.925 7.107 10.741 902 H ASP 114 HN ASP 114 -10.279 6.642 8.828 903 HA ASP 114 HA ASP 114 -12.328 6.644 6.815 904 1HB ASP 114 HB2 ASP 114 -10.022 8.239 7.478 905 2HB ASP 114 HB1 ASP 114 -10.077 7.904 5.757 906 H PHE 115 HN PHE 115 -9.633 4.699 7.441 907 HA PHE 115 HA PHE 115 -9.151 4.015 4.661 908 1HB PHE 115 HB2 PHE 115 -7.208 2.983 5.363 909 2HB PHE 115 HB1 PHE 115 -7.398 4.207 6.611 910 HD1 PHE 115 HD1 PHE 115 -9.829 2.054 7.573 911 HD2 PHE 115 HD2 PHE 115 -5.598 2.142 7.187 912 HE1 PHE 115 HE1 PHE 115 -9.656 0.286 9.239 913 HE2 PHE 115 HE2 PHE 115 -5.428 0.375 8.884 914 HZ PHE 115 HZ PHE 115 -7.460 -0.552 9.891 915 HA PRO 116 HA PRO 116 -11.586 0.322 4.632 916 1HB PRO 116 HB2 PRO 116 -10.027 -1.635 3.624 917 2HB PRO 116 HB1 PRO 116 -10.572 -0.271 2.640 918 1HG PRO 116 HG2 PRO 116 -7.922 -0.740 3.932 919 2HG PRO 116 HG1 PRO 116 -8.290 -0.045 2.344 920 1HD PRO 116 HD2 PRO 116 -7.655 1.428 4.576 921 2HD PRO 116 HD1 PRO 116 -8.588 2.051 3.204 922 HA PRO 117 HA PRO 117 -10.950 -1.705 8.543 923 1HB PRO 117 HB2 PRO 117 -12.621 -3.856 8.170 924 2HB PRO 117 HB1 PRO 117 -13.162 -2.240 8.638 925 1HG PRO 117 HG2 PRO 117 -13.134 -3.521 5.934 926 2HG PRO 117 HG1 PRO 117 -14.385 -2.513 6.684 927 1HD PRO 117 HD2 PRO 117 -12.693 -1.521 4.854 928 2HD PRO 117 HD1 PRO 117 -13.247 -0.545 6.230 929 H ALA 118 HN ALA 118 -10.216 -3.172 5.529 930 HA ALA 118 HA ALA 118 -9.284 -5.671 6.529 931 1HB ALA 118 HB1 ALA 118 -9.360 -4.310 3.921 932 2HB ALA 118 HB2 ALA 118 -9.806 -5.958 4.362 933 3HB ALA 118 HB3 ALA 118 -8.110 -5.536 4.132 934 H ASN 119 HN ASN 119 -7.851 -2.593 6.708 935 HA ASN 119 HA ASN 119 -5.218 -3.894 6.976 936 1HB ASN 119 HB2 ASN 119 -4.142 -1.912 6.100 937 2HB ASN 119 HB1 ASN 119 -5.351 -2.487 4.960 938 1HD2 ASN 119 1HD2 ASN 119 -4.162 0.135 5.220 939 2HD2 ASN 119 2HD2 ASN 119 -5.471 1.233 5.468 940 H GLU 120 HN GLU 120 -7.117 -3.418 9.153 941 HA GLU 120 HA GLU 120 -6.119 -1.166 10.643 942 1HB GLU 120 HB2 GLU 120 -8.338 -2.914 10.865 943 2HB GLU 120 HB1 GLU 120 -7.415 -3.061 12.347 944 1HG GLU 120 HG2 GLU 120 -8.329 -1.213 13.101 945 2HG GLU 120 HG1 GLU 120 -7.572 -0.315 11.787 946 HA PRO 121 HA PRO 121 -4.171 -4.897 13.323 947 1HB PRO 121 HB2 PRO 121 -3.579 -6.464 10.842 948 2HB PRO 121 HB1 PRO 121 -3.856 -7.038 12.492 949 1HG PRO 121 HG2 PRO 121 -5.779 -7.214 10.664 950 2HG PRO 121 HG1 PRO 121 -6.159 -6.773 12.339 951 1HD PRO 121 HD2 PRO 121 -6.098 -5.074 9.901 952 2HD PRO 121 HD1 PRO 121 -7.087 -4.916 11.367 953 H VAL 122 HN VAL 122 -3.198 -4.058 10.033 954 HA VAL 122 HA VAL 122 -0.390 -4.046 10.611 955 HB VAL 122 HB VAL 122 -1.592 -2.642 8.252 956 1HG1 VAL 122 1HG1 VAL 122 0.509 -2.597 7.553 957 2HG1 VAL 122 2HG1 VAL 122 0.616 -4.353 7.664 958 3HG1 VAL 122 3HG1 VAL 122 1.011 -3.355 9.063 959 1HG2 VAL 122 1HG2 VAL 122 -1.057 -5.334 7.539 960 2HG2 VAL 122 2HG2 VAL 122 -2.582 -4.452 7.454 961 3HG2 VAL 122 3HG2 VAL 122 -2.158 -5.342 8.915 962 H ILE 123 HN ILE 123 -2.807 -1.557 9.890 963 HA ILE 123 HA ILE 123 -1.075 0.636 10.323 964 HB ILE 123 HB ILE 123 -4.083 0.450 10.284 965 1HG1 ILE 123 2HG1 ILE 123 -2.368 0.108 8.233 966 2HG1 ILE 123 1HG1 ILE 123 -3.958 0.831 8.036 967 1HG2 ILE 123 1HG2 ILE 123 -4.074 2.902 10.042 968 2HG2 ILE 123 2HG2 ILE 123 -2.338 2.907 10.354 969 3HG2 ILE 123 3HG2 ILE 123 -3.460 2.378 11.610 970 1HD1 ILE 123 1HD1 ILE 123 -1.831 1.961 7.037 971 2HD1 ILE 123 2HD1 ILE 123 -1.654 2.592 8.675 972 3HD1 ILE 123 3HD1 ILE 123 -3.122 2.929 7.752 973 H ALA 124 HN ALA 124 -3.103 -1.264 12.434 974 HA ALA 124 HA ALA 124 -3.391 0.457 14.594 975 1HB ALA 124 HB1 ALA 124 -3.384 -2.481 14.238 976 2HB ALA 124 HB2 ALA 124 -4.601 -1.427 14.960 977 3HB ALA 124 HB3 ALA 124 -3.165 -1.876 15.882 978 H LYS 125 HN LYS 125 -0.631 -1.348 13.480 979 HA LYS 125 HA LYS 125 0.906 -1.031 15.883 980 1HB LYS 125 HB2 LYS 125 1.122 -2.581 13.603 981 2HB LYS 125 HB1 LYS 125 2.448 -1.439 13.436 982 1HG LYS 125 HG2 LYS 125 1.986 -3.033 15.939 983 2HG LYS 125 HG1 LYS 125 2.974 -3.616 14.597 984 1HD LYS 125 HD2 LYS 125 4.703 -2.492 15.430 985 2HD LYS 125 HD1 LYS 125 3.829 -0.986 15.144 986 1HE LYS 125 HE2 LYS 125 3.232 -0.762 17.318 987 2HE LYS 125 HE1 LYS 125 3.077 -2.501 17.565 988 1HZ LYS 125 HZ1 LYS 125 5.455 -2.690 17.708 989 2HZ LYS 125 HZ2 LYS 125 4.934 -1.517 18.809 990 3HZ LYS 125 HZ3 LYS 125 5.659 -1.048 17.354 991 H LEU 126 HN LEU 126 0.944 0.557 12.694 992 HA LEU 126 HA LEU 126 2.967 2.437 13.483 993 1HB LEU 126 HB2 LEU 126 2.126 1.504 11.089 994 2HB LEU 126 HB1 LEU 126 1.277 3.037 11.137 995 HG LEU 126 HG LEU 126 3.384 4.231 11.413 996 1HD1 LEU 126 1HD1 LEU 126 5.204 3.239 12.190 997 2HD1 LEU 126 2HD1 LEU 126 5.255 2.183 10.779 998 3HD1 LEU 126 3HD1 LEU 126 4.351 1.696 12.212 999 1HD2 LEU 126 1HD2 LEU 126 4.091 2.488 9.154 1000 2HD2 LEU 126 2HD2 LEU 126 3.822 4.230 9.207 1001 3HD2 LEU 126 3HD2 LEU 126 2.448 3.127 9.127 1002 H LYS 127 HN LYS 127 -0.514 2.383 13.395 1003 HA LYS 127 HA LYS 127 -1.108 5.096 13.451 1004 1HB LYS 127 HB2 LYS 127 -2.715 3.201 13.256 1005 2HB LYS 127 HB1 LYS 127 -2.556 2.938 14.981 1006 1HG LYS 127 HG2 LYS 127 -3.646 4.908 15.517 1007 2HG LYS 127 HG1 LYS 127 -3.357 5.616 13.926 1008 1HD LYS 127 HD2 LYS 127 -4.949 4.103 12.919 1009 2HD LYS 127 HD1 LYS 127 -5.168 3.262 14.454 1010 1HE LYS 127 HE2 LYS 127 -5.681 5.891 15.095 1011 2HE LYS 127 HE1 LYS 127 -6.372 5.730 13.482 1012 1HZ LYS 127 HZ1 LYS 127 -7.705 5.103 15.661 1013 2HZ LYS 127 HZ2 LYS 127 -6.960 3.608 15.395 1014 3HZ LYS 127 HZ3 LYS 127 -7.943 4.287 14.197 1015 H ARG 128 HN ARG 128 -0.320 2.892 16.095 1016 HA ARG 128 HA ARG 128 -0.608 4.897 18.126 1017 1HB ARG 128 HB2 ARG 128 -0.942 2.505 18.604 1018 2HB ARG 128 HB1 ARG 128 0.743 2.192 18.219 1019 1HG ARG 128 HG2 ARG 128 0.621 4.248 20.190 1020 2HG ARG 128 HG1 ARG 128 -0.390 2.898 20.705 1021 1HD ARG 128 HD2 ARG 128 2.061 1.887 19.628 1022 2HD ARG 128 HD1 ARG 128 2.421 3.123 20.834 1023 HE ARG 128 HE ARG 128 1.700 1.687 22.455 1024 1HH1 ARG 128 1HH1 ARG 128 0.487 0.580 19.376 1025 2HH1 ARG 128 2HH1 ARG 128 -0.160 -0.891 20.017 1026 1HH2 ARG 128 1HH2 ARG 128 0.850 -0.250 23.302 1027 2HH2 ARG 128 2HH2 ARG 128 0.045 -1.363 22.247 1028 H LEU 129 HN LEU 129 1.600 4.487 15.726 1029 HA LEU 129 HA LEU 129 3.756 5.124 15.354 1030 1HB LEU 129 HB2 LEU 129 3.437 7.161 17.514 1031 2HB LEU 129 HB1 LEU 129 4.221 7.313 15.955 1032 HG LEU 129 HG LEU 129 1.614 6.873 15.231 1033 1HD1 LEU 129 1HD1 LEU 129 1.681 8.239 17.884 1034 2HD1 LEU 129 2HD1 LEU 129 0.546 7.041 17.264 1035 3HD1 LEU 129 3HD1 LEU 129 0.475 8.705 16.686 1036 1HD2 LEU 129 1HD2 LEU 129 2.849 8.521 14.132 1037 2HD2 LEU 129 2HD2 LEU 129 3.220 9.373 15.631 1038 3HD2 LEU 129 3HD2 LEU 129 1.585 9.424 14.970 1039 1HO1 MO2 130 1HO1 MO2 130 -4.411 -2.858 -10.851 1040 2HO1 MO2 130 2HO1 MO2 130 -1.792 -5.370 -11.293 1041 1HO2 MO2 130 1HO2 MO2 130 -4.802 -2.542 -9.424 1042 2HO2 MO2 130 2HO2 MO2 130 -2.807 -5.955 -10.337 1043 1H5* 8OG 131 1H5* ODG 131 -10.283 -4.771 -2.829 1044 2H5* 8OG 131 2H5* ODG 131 -8.755 -4.042 -2.414 1045 H4* 8OG 131 1H4* ODG 131 -8.063 -6.082 -1.309 1046 H3* 8OG 131 1H3* ODG 131 -10.273 -7.262 -2.633 1047 1H2* 8OG 131 1H2* ODG 131 -11.734 -7.651 -0.986 1048 2H2* 8OG 131 2H2* ODG 131 -10.481 -8.406 -0.027 1049 H1* 8OG 131 1H1* ODG 131 -10.336 -6.641 1.298 1050 H1 8OG 131 H1 ODG 131 -14.430 -4.760 5.190 1051 H7 8OG 131 H7 ODG 131 -14.984 -4.786 0.233 1052 1H2 8OG 131 H21 ODG 131 -11.166 -5.884 5.751 1053 2H2 8OG 131 H22 ODG 131 -12.646 -5.330 6.459 1054 H3T 8OG 131 *HO1 ODG 131 -8.261 -8.352 -0.892
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