NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4683 | 1fi6 | 4778 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H TRP 6 1H TRP 6 -2.953 -6.200 -20.139 2 2H TRP 6 2H TRP 6 -2.413 -4.916 -21.100 3 3H TRP 6 3H TRP 6 -3.719 -4.693 -20.048 4 HA TRP 6 HA TRP 6 -2.159 -3.782 -18.729 5 1HB TRP 6 2HB TRP 6 -2.998 -5.822 -17.623 6 2HB TRP 6 1HB TRP 6 -1.663 -6.741 -18.310 7 HD1 TRP 6 HD1 TRP 6 0.383 -6.980 -16.788 8 HE1 TRP 6 HE1 TRP 6 1.280 -5.770 -14.700 9 HE3 TRP 6 HE3 TRP 6 -3.052 -3.196 -16.487 10 HZ2 TRP 6 HZ2 TRP 6 0.620 -3.522 -13.130 11 HZ3 TRP 6 HZ3 TRP 6 -2.842 -1.561 -14.656 12 HH2 TRP 6 HH2 TRP 6 -1.045 -1.723 -13.017 13 H LYS 7 H LYS 7 -0.040 -3.073 -18.477 14 HA LYS 7 HA LYS 7 2.230 -4.487 -19.398 15 1HB LYS 7 2HB LYS 7 0.847 -2.818 -21.352 16 2HB LYS 7 1HB LYS 7 2.532 -2.363 -21.143 17 1HG LYS 7 2HG LYS 7 3.060 -3.994 -22.545 18 2HG LYS 7 1HG LYS 7 2.561 -5.139 -21.301 19 1HD LYS 7 2HD LYS 7 0.270 -5.087 -22.201 20 2HD LYS 7 1HD LYS 7 0.806 -3.979 -23.464 21 1HE LYS 7 2HE LYS 7 2.285 -5.647 -24.372 22 2HE LYS 7 1HE LYS 7 1.945 -6.737 -23.031 23 1HZ LYS 7 1HZ LYS 7 0.547 -7.576 -24.590 24 2HZ LYS 7 2HZ LYS 7 0.303 -6.090 -25.363 25 3HZ LYS 7 3HZ LYS 7 -0.495 -6.429 -23.912 26 H ILE 8 H ILE 8 4.222 -3.324 -19.058 27 HA ILE 8 HA ILE 8 3.967 -0.772 -17.614 28 HB ILE 8 HB ILE 8 5.580 -3.142 -16.646 29 1HG1 ILE 8 2HG1 ILE 8 3.175 -1.785 -15.409 30 2HG1 ILE 8 1HG1 ILE 8 3.135 -3.331 -16.251 31 1HG2 ILE 8 1HG2 ILE 8 6.869 -1.547 -15.749 32 2HG2 ILE 8 2HG2 ILE 8 5.536 -1.320 -14.616 33 3HG2 ILE 8 3HG2 ILE 8 5.673 -0.284 -16.037 34 1HD1 ILE 8 1HD1 ILE 8 4.131 -2.657 -13.558 35 2HD1 ILE 8 2HD1 ILE 8 5.012 -3.894 -14.454 36 3HD1 ILE 8 3HD1 ILE 8 3.289 -4.094 -14.134 37 H THR 9 H THR 9 5.675 0.656 -17.916 38 HA THR 9 HA THR 9 7.735 -0.240 -19.831 39 HB THR 9 HB THR 9 7.125 2.652 -19.283 40 HG1 THR 9 HG1 THR 9 5.976 1.776 -21.569 41 1HG2 THR 9 1HG2 THR 9 7.772 2.394 -21.911 42 2HG2 THR 9 2HG2 THR 9 8.714 1.086 -21.192 43 3HG2 THR 9 3HG2 THR 9 8.927 2.742 -20.625 44 H ASP 10 H ASP 10 9.762 -0.365 -19.164 45 HA ASP 10 HA ASP 10 10.633 -0.080 -16.584 46 1HB ASP 10 2HB ASP 10 11.772 -0.953 -18.857 47 2HB ASP 10 1HB ASP 10 12.613 0.586 -18.691 48 H GLU 11 H GLU 11 10.432 2.392 -19.081 49 HA GLU 11 HA GLU 11 11.940 4.405 -17.868 50 1HB GLU 11 2HB GLU 11 9.669 4.372 -19.824 51 2HB GLU 11 1HB GLU 11 10.297 5.887 -19.222 52 1HG GLU 11 2HG GLU 11 12.479 5.400 -20.121 53 2HG GLU 11 1HG GLU 11 11.939 3.799 -20.629 54 H GLN 12 H GLN 12 8.636 3.352 -17.368 55 HA GLN 12 HA GLN 12 7.915 5.591 -15.723 56 1HB GLN 12 2HB GLN 12 6.644 3.058 -16.642 57 2HB GLN 12 1HB GLN 12 5.981 3.849 -15.225 58 1HG GLN 12 2HG GLN 12 5.467 5.806 -16.442 59 2HG GLN 12 1HG GLN 12 6.427 5.275 -17.819 60 1HE2 GLN 12 1HE2 GLN 12 4.970 5.156 -19.378 61 2HE2 GLN 12 2HE2 GLN 12 3.542 4.189 -19.333 62 H ARG 13 H ARG 13 8.667 2.150 -15.144 63 HA ARG 13 HA ARG 13 8.186 1.937 -12.460 64 1HB ARG 13 2HB ARG 13 9.098 0.186 -14.108 65 2HB ARG 13 1HB ARG 13 10.688 0.804 -13.697 66 1HG ARG 13 2HG ARG 13 10.543 0.043 -11.481 67 2HG ARG 13 1HG ARG 13 8.795 -0.185 -11.585 68 1HD ARG 13 2HD ARG 13 9.525 -2.354 -11.802 69 2HD ARG 13 1HD ARG 13 9.418 -1.860 -13.479 70 HE ARG 13 HE ARG 13 11.659 -2.207 -13.674 71 1HH1 ARG 13 2HH1 ARG 13 10.988 -1.774 -10.307 72 2HH1 ARG 13 1HH1 ARG 13 12.537 -2.353 -9.813 73 1HH2 ARG 13 1HH2 ARG 13 13.654 -2.943 -13.007 74 2HH2 ARG 13 2HH2 ARG 13 14.034 -2.996 -11.323 75 H GLN 14 H GLN 14 11.003 3.430 -13.993 76 HA GLN 14 HA GLN 14 12.473 3.861 -11.620 77 1HB GLN 14 2HB GLN 14 13.555 5.716 -13.014 78 2HB GLN 14 1HB GLN 14 13.698 4.073 -13.621 79 1HG GLN 14 2HG GLN 14 11.926 4.461 -15.202 80 2HG GLN 14 1HG GLN 14 11.635 6.063 -14.530 81 1HE2 GLN 14 1HE2 GLN 14 12.232 7.492 -15.985 82 2HE2 GLN 14 2HE2 GLN 14 13.712 7.476 -16.880 83 H TYR 15 H TYR 15 10.080 5.794 -13.342 84 HA TYR 15 HA TYR 15 10.271 8.224 -12.102 85 1HB TYR 15 2HB TYR 15 8.704 7.893 -13.889 86 2HB TYR 15 1HB TYR 15 7.812 6.695 -12.960 87 HD1 TYR 15 HD1 TYR 15 5.667 7.585 -12.758 88 HD2 TYR 15 HD2 TYR 15 9.025 10.055 -11.893 89 HE1 TYR 15 HE1 TYR 15 4.154 9.343 -11.942 90 HE2 TYR 15 HE2 TYR 15 7.520 11.819 -11.073 91 HH TYR 15 HH TYR 15 4.854 12.380 -11.647 92 H TYR 16 H TYR 16 8.344 5.474 -10.966 93 HA TYR 16 HA TYR 16 7.388 6.664 -8.618 94 1HB TYR 16 2HB TYR 16 8.005 3.733 -8.988 95 2HB TYR 16 1HB TYR 16 6.784 4.449 -7.942 96 HD1 TYR 16 HD1 TYR 16 5.988 6.514 -10.236 97 HD2 TYR 16 HD2 TYR 16 6.337 2.279 -9.998 98 HE1 TYR 16 HE1 TYR 16 4.324 6.283 -12.031 99 HE2 TYR 16 HE2 TYR 16 4.675 2.035 -11.790 100 HH TYR 16 HH TYR 16 2.644 3.672 -12.640 101 H VAL 17 H VAL 17 10.102 4.419 -9.068 102 HA VAL 17 HA VAL 17 11.028 4.348 -6.460 103 HB VAL 17 HB VAL 17 12.691 4.196 -8.972 104 1HG1 VAL 17 1HG1 VAL 17 14.445 3.515 -7.739 105 2HG1 VAL 17 2HG1 VAL 17 13.432 2.645 -6.586 106 3HG1 VAL 17 3HG1 VAL 17 13.628 4.393 -6.446 107 1HG2 VAL 17 1HG2 VAL 17 11.991 2.083 -9.300 108 2HG2 VAL 17 2HG2 VAL 17 10.585 2.606 -8.370 109 3HG2 VAL 17 3HG2 VAL 17 11.897 1.737 -7.573 110 H ASN 18 H ASN 18 11.905 6.630 -9.053 111 HA ASN 18 HA ASN 18 13.993 7.965 -7.972 112 1HB ASN 18 2HB ASN 18 11.796 8.641 -9.754 113 2HB ASN 18 1HB ASN 18 12.391 10.032 -8.865 114 1HD2 ASN 18 1HD2 ASN 18 13.925 11.101 -9.863 115 2HD2 ASN 18 2HD2 ASN 18 15.087 10.435 -10.954 116 H GLN 19 H GLN 19 10.594 8.346 -7.048 117 HA GLN 19 HA GLN 19 11.421 10.160 -4.895 118 1HB GLN 19 2HB GLN 19 8.744 9.530 -6.107 119 2HB GLN 19 1HB GLN 19 8.881 10.372 -4.570 120 1HG GLN 19 2HG GLN 19 10.388 12.014 -5.801 121 2HG GLN 19 1HG GLN 19 9.789 11.268 -7.279 122 1HE2 GLN 19 1HE2 GLN 19 9.373 13.792 -5.294 123 2HE2 GLN 19 2HE2 GLN 19 7.705 14.133 -5.580 124 H PHE 20 H PHE 20 9.366 7.259 -5.321 125 HA PHE 20 HA PHE 20 8.890 6.733 -2.651 126 1HB PHE 20 2HB PHE 20 8.765 5.222 -5.114 127 2HB PHE 20 1HB PHE 20 9.201 4.215 -3.732 128 HD1 PHE 20 HD1 PHE 20 6.804 6.943 -4.587 129 HD2 PHE 20 HD2 PHE 20 7.503 3.297 -2.506 130 HE1 PHE 20 HE1 PHE 20 4.460 6.922 -3.838 131 HE2 PHE 20 HE2 PHE 20 5.162 3.270 -1.759 132 HZ PHE 20 HZ PHE 20 3.645 5.087 -2.424 133 H LYS 21 H LYS 21 11.816 6.387 -4.440 134 HA LYS 21 HA LYS 21 13.246 4.486 -3.074 135 1HB LYS 21 2HB LYS 21 15.251 5.735 -3.681 136 2HB LYS 21 1HB LYS 21 14.095 5.781 -5.006 137 1HG LYS 21 2HG LYS 21 14.920 7.955 -4.868 138 2HG LYS 21 1HG LYS 21 13.353 8.028 -4.059 139 1HD LYS 21 2HD LYS 21 14.847 7.484 -1.938 140 2HD LYS 21 1HD LYS 21 16.093 8.234 -2.930 141 1HE LYS 21 2HE LYS 21 14.608 10.196 -3.229 142 2HE LYS 21 1HE LYS 21 13.460 9.448 -2.118 143 1HZ LYS 21 1HZ LYS 21 14.577 10.519 -0.536 144 2HZ LYS 21 2HZ LYS 21 15.889 10.861 -1.550 145 3HZ LYS 21 3HZ LYS 21 15.802 9.371 -0.755 146 H THR 22 H THR 22 12.127 7.573 -1.974 147 HA THR 22 HA THR 22 13.844 8.035 0.192 148 HB THR 22 HB THR 22 12.152 9.676 -0.616 149 HG1 THR 22 HG1 THR 22 11.666 9.159 2.128 150 1HG2 THR 22 1HG2 THR 22 10.313 7.880 -0.716 151 2HG2 THR 22 2HG2 THR 22 9.864 9.490 -0.149 152 3HG2 THR 22 3HG2 THR 22 10.115 8.183 1.010 153 H ILE 23 H ILE 23 11.082 5.948 -0.185 154 HA ILE 23 HA ILE 23 11.471 4.914 2.548 155 HB ILE 23 HB ILE 23 8.987 4.810 0.827 156 1HG1 ILE 23 2HG1 ILE 23 9.574 6.282 3.405 157 2HG1 ILE 23 1HG1 ILE 23 9.379 7.016 1.817 158 1HG2 ILE 23 1HG2 ILE 23 7.913 3.737 2.729 159 2HG2 ILE 23 2HG2 ILE 23 9.437 3.757 3.616 160 3HG2 ILE 23 3HG2 ILE 23 9.280 2.779 2.157 161 1HD1 ILE 23 1HD1 ILE 23 7.408 7.179 3.353 162 2HD1 ILE 23 2HD1 ILE 23 7.217 5.436 3.169 163 3HD1 ILE 23 3HD1 ILE 23 7.078 6.491 1.763 164 H GLN 24 H GLN 24 10.583 3.946 -0.764 165 HA GLN 24 HA GLN 24 11.579 1.240 -0.181 166 1HB GLN 24 2HB GLN 24 9.145 1.804 -1.047 167 2HB GLN 24 1HB GLN 24 9.957 1.848 -2.607 168 1HG GLN 24 2HG GLN 24 9.038 -0.337 -2.235 169 2HG GLN 24 1HG GLN 24 10.801 -0.425 -2.202 170 1HE2 GLN 24 1HE2 GLN 24 8.061 -1.417 -0.694 171 2HE2 GLN 24 2HE2 GLN 24 8.718 -1.808 0.853 172 HA PRO 25 HA PRO 25 14.830 3.009 -2.901 173 1HB PRO 25 2HB PRO 25 16.809 1.424 -1.928 174 2HB PRO 25 1HB PRO 25 16.308 2.935 -1.162 175 1HG PRO 25 2HG PRO 25 15.552 0.121 -0.472 176 2HG PRO 25 1HG PRO 25 16.007 1.452 0.608 177 1HD PRO 25 2HD PRO 25 13.435 0.740 0.208 178 2HD PRO 25 1HD PRO 25 13.915 2.426 0.492 179 H ASP 26 H ASP 26 14.583 -0.495 -2.146 180 HA ASP 26 HA ASP 26 14.640 -1.078 -5.001 181 1HB ASP 26 2HB ASP 26 16.983 -1.070 -4.008 182 2HB ASP 26 1HB ASP 26 16.488 -2.462 -3.058 183 H LEU 27 H LEU 27 14.634 -3.694 -5.092 184 HA LEU 27 HA LEU 27 12.135 -4.520 -4.040 185 1HB LEU 27 2HB LEU 27 13.763 -5.310 -6.071 186 2HB LEU 27 1HB LEU 27 13.979 -6.621 -4.929 187 HG LEU 27 HG LEU 27 11.176 -6.013 -5.212 188 1HD1 LEU 27 1HD1 LEU 27 11.088 -5.471 -7.377 189 2HD1 LEU 27 2HD1 LEU 27 11.476 -7.166 -7.679 190 3HD1 LEU 27 3HD1 LEU 27 12.759 -5.956 -7.660 191 1HD2 LEU 27 1HD2 LEU 27 11.224 -8.165 -4.677 192 2HD2 LEU 27 2HD2 LEU 27 12.955 -8.250 -5.005 193 3HD2 LEU 27 3HD2 LEU 27 11.796 -8.520 -6.308 194 H ASN 28 H ASN 28 14.234 -3.802 -2.076 195 HA ASN 28 HA ASN 28 14.068 -6.219 -0.398 196 1HB ASN 28 2HB ASN 28 16.425 -5.733 -1.250 197 2HB ASN 28 1HB ASN 28 16.365 -4.248 -0.308 198 1HD2 ASN 28 1HD2 ASN 28 17.935 -6.860 -0.168 199 2HD2 ASN 28 2HD2 ASN 28 17.817 -7.313 1.493 200 H GLY 29 H GLY 29 12.282 -3.997 -0.659 201 1HA GLY 29 2HA GLY 29 12.528 -2.858 2.050 202 2HA GLY 29 1HA GLY 29 12.094 -1.853 0.683 203 H PHE 30 H PHE 30 10.585 -2.349 3.121 204 HA PHE 30 HA PHE 30 8.130 -3.376 1.867 205 1HB PHE 30 2HB PHE 30 8.759 -3.948 4.755 206 2HB PHE 30 1HB PHE 30 7.587 -4.739 3.706 207 HD1 PHE 30 HD1 PHE 30 11.272 -4.137 3.824 208 HD2 PHE 30 HD2 PHE 30 8.105 -6.862 3.009 209 HE1 PHE 30 HE1 PHE 30 12.919 -5.895 3.326 210 HE2 PHE 30 HE2 PHE 30 9.749 -8.623 2.512 211 HZ PHE 30 HZ PHE 30 12.156 -8.141 2.670 212 H ILE 31 H ILE 31 6.552 -1.917 1.992 213 HA ILE 31 HA ILE 31 6.735 0.233 3.986 214 HB ILE 31 HB ILE 31 5.506 0.036 1.272 215 1HG1 ILE 31 2HG1 ILE 31 6.903 2.352 2.603 216 2HG1 ILE 31 1HG1 ILE 31 7.785 1.057 1.793 217 1HG2 ILE 31 1HG2 ILE 31 4.478 1.684 3.540 218 2HG2 ILE 31 2HG2 ILE 31 3.589 0.796 2.302 219 3HG2 ILE 31 3HG2 ILE 31 4.404 2.305 1.890 220 1HD1 ILE 31 1HD1 ILE 31 7.480 3.028 0.372 221 2HD1 ILE 31 2HD1 ILE 31 5.731 2.838 0.501 222 3HD1 ILE 31 3HD1 ILE 31 6.697 1.599 -0.305 223 HA PRO 32 HA PRO 32 3.309 -1.638 6.136 224 1HB PRO 32 2HB PRO 32 2.816 0.453 7.806 225 2HB PRO 32 1HB PRO 32 4.150 -0.680 8.050 226 1HG PRO 32 2HG PRO 32 4.184 2.051 6.826 227 2HG PRO 32 1HG PRO 32 5.330 1.322 7.966 228 1HD PRO 32 2HD PRO 32 5.832 1.484 5.314 229 2HD PRO 32 1HD PRO 32 6.418 0.135 6.308 230 H GLY 33 H GLY 33 1.102 -1.579 5.852 231 1HA GLY 33 2HA GLY 33 -0.078 -0.249 3.783 232 2HA GLY 33 1HA GLY 33 -0.973 -0.770 5.202 233 H SER 34 H SER 34 0.502 1.036 6.990 234 HA SER 34 HA SER 34 -1.192 3.270 6.865 235 1HB SER 34 2HB SER 34 0.013 2.468 8.917 236 2HB SER 34 1HB SER 34 1.493 3.152 8.250 237 HG SER 34 HG SER 34 -0.139 5.134 8.094 238 H ALA 35 H ALA 35 2.224 2.888 5.881 239 HA ALA 35 HA ALA 35 2.575 5.563 5.059 240 1HB ALA 35 1HB ALA 35 4.195 3.744 3.528 241 2HB ALA 35 2HB ALA 35 4.160 3.272 5.228 242 3HB ALA 35 3HB ALA 35 4.671 4.898 4.774 243 H ALA 36 H ALA 36 1.688 2.635 3.252 244 HA ALA 36 HA ALA 36 1.549 3.824 0.711 245 1HB ALA 36 1HB ALA 36 0.179 1.428 1.902 246 2HB ALA 36 2HB ALA 36 1.525 1.476 0.762 247 3HB ALA 36 3HB ALA 36 -0.095 1.928 0.234 248 H LYS 37 H LYS 37 -1.055 3.245 3.101 249 HA LYS 37 HA LYS 37 -3.202 4.334 1.788 250 1HB LYS 37 2HB LYS 37 -2.430 3.783 4.517 251 2HB LYS 37 1HB LYS 37 -3.361 5.261 4.436 252 1HG LYS 37 2HG LYS 37 -4.884 3.512 4.859 253 2HG LYS 37 1HG LYS 37 -5.107 3.975 3.172 254 1HD LYS 37 2HD LYS 37 -3.902 2.073 2.407 255 2HD LYS 37 1HD LYS 37 -3.341 1.694 4.036 256 1HE LYS 37 2HE LYS 37 -5.139 0.193 3.367 257 2HE LYS 37 1HE LYS 37 -5.633 1.207 4.718 258 1HZ LYS 37 1HZ LYS 37 -7.440 1.490 3.431 259 2HZ LYS 37 2HZ LYS 37 -6.625 1.147 1.985 260 3HZ LYS 37 3HZ LYS 37 -6.493 2.681 2.688 261 H GLU 38 H GLU 38 -0.978 6.074 3.978 262 HA GLU 38 HA GLU 38 -2.026 8.627 3.487 263 1HB GLU 38 2HB GLU 38 0.509 7.536 4.625 264 2HB GLU 38 1HB GLU 38 0.356 9.257 4.339 265 1HG GLU 38 2HG GLU 38 -1.085 9.556 6.031 266 2HG GLU 38 1HG GLU 38 -1.890 8.011 5.759 267 H PHE 39 H PHE 39 1.002 7.175 2.234 268 HA PHE 39 HA PHE 39 1.841 9.239 0.639 269 1HB PHE 39 2HB PHE 39 2.513 6.559 1.035 270 2HB PHE 39 1HB PHE 39 2.209 6.701 -0.684 271 HD1 PHE 39 HD1 PHE 39 4.167 8.133 2.103 272 HD2 PHE 39 HD2 PHE 39 3.788 7.698 -2.112 273 HE1 PHE 39 HE1 PHE 39 6.392 9.134 1.804 274 HE2 PHE 39 HE2 PHE 39 6.016 8.695 -2.418 275 HZ PHE 39 HZ PHE 39 7.320 9.413 -0.458 276 H PHE 40 H PHE 40 -0.224 6.511 -0.359 277 HA PHE 40 HA PHE 40 -0.716 7.562 -2.938 278 1HB PHE 40 2HB PHE 40 -2.048 5.437 -1.287 279 2HB PHE 40 1HB PHE 40 -2.704 5.925 -2.846 280 HD1 PHE 40 HD1 PHE 40 -1.749 5.192 -4.860 281 HD2 PHE 40 HD2 PHE 40 0.295 4.541 -1.182 282 HE1 PHE 40 HE1 PHE 40 -0.135 3.741 -6.016 283 HE2 PHE 40 HE2 PHE 40 1.907 3.083 -2.335 284 HZ PHE 40 HZ PHE 40 1.694 2.685 -4.755 285 H THR 41 H THR 41 -2.683 7.623 0.056 286 HA THR 41 HA THR 41 -4.913 8.942 -0.911 287 HB THR 41 HB THR 41 -3.519 9.335 1.744 288 HG1 THR 41 HG1 THR 41 -4.423 7.433 2.006 289 1HG2 THR 41 1HG2 THR 41 -5.681 10.850 0.562 290 2HG2 THR 41 2HG2 THR 41 -4.813 11.121 2.073 291 3HG2 THR 41 3HG2 THR 41 -6.206 10.040 2.039 292 H LYS 42 H LYS 42 -1.806 10.264 0.087 293 HA LYS 42 HA LYS 42 -2.169 12.972 -0.089 294 1HB LYS 42 2HB LYS 42 -0.003 11.171 -0.069 295 2HB LYS 42 1HB LYS 42 0.279 12.244 -1.429 296 1HG LYS 42 2HG LYS 42 -0.372 13.291 1.303 297 2HG LYS 42 1HG LYS 42 1.277 12.887 0.820 298 1HD LYS 42 2HD LYS 42 1.018 14.427 -1.121 299 2HD LYS 42 1HD LYS 42 -0.555 14.903 -0.478 300 1HE LYS 42 2HE LYS 42 0.524 15.685 1.577 301 2HE LYS 42 1HE LYS 42 2.094 15.207 0.934 302 1HZ LYS 42 1HZ LYS 42 0.766 16.884 -0.912 303 2HZ LYS 42 2HZ LYS 42 2.244 17.129 -0.129 304 3HZ LYS 42 3HZ LYS 42 0.806 17.637 0.603 305 H SER 43 H SER 43 -1.957 10.672 -2.720 306 HA SER 43 HA SER 43 -1.547 12.499 -4.828 307 1HB SER 43 2HB SER 43 -2.906 9.799 -4.900 308 2HB SER 43 1HB SER 43 -2.271 10.672 -6.294 309 HG SER 43 HG SER 43 -0.450 10.349 -4.265 310 H LYS 44 H LYS 44 -4.583 11.070 -3.578 311 HA LYS 44 HA LYS 44 -6.242 13.221 -3.849 312 1HB LYS 44 2HB LYS 44 -5.796 13.531 -6.143 313 2HB LYS 44 1HB LYS 44 -5.854 11.806 -6.475 314 1HG LYS 44 2HG LYS 44 -8.322 11.931 -5.872 315 2HG LYS 44 1HG LYS 44 -8.140 13.685 -5.968 316 1HD LYS 44 2HD LYS 44 -7.413 13.522 -8.270 317 2HD LYS 44 1HD LYS 44 -7.439 11.760 -8.184 318 1HE LYS 44 2HE LYS 44 -9.887 11.892 -7.720 319 2HE LYS 44 1HE LYS 44 -9.799 13.628 -8.011 320 1HZ LYS 44 1HZ LYS 44 -10.509 12.236 -9.953 321 2HZ LYS 44 2HZ LYS 44 -8.936 11.616 -10.011 322 3HZ LYS 44 3HZ LYS 44 -9.204 13.268 -10.253 323 H LEU 45 H LEU 45 -6.271 9.908 -5.131 324 HA LEU 45 HA LEU 45 -8.878 9.233 -4.593 325 1HB LEU 45 2HB LEU 45 -6.401 7.519 -4.491 326 2HB LEU 45 1HB LEU 45 -8.037 6.882 -4.493 327 HG LEU 45 HG LEU 45 -7.283 8.727 -6.703 328 1HD1 LEU 45 1HD1 LEU 45 -5.392 7.471 -6.981 329 2HD1 LEU 45 2HD1 LEU 45 -6.553 6.505 -7.890 330 3HD1 LEU 45 3HD1 LEU 45 -6.104 6.032 -6.251 331 1HD2 LEU 45 1HD2 LEU 45 -8.630 6.227 -7.307 332 2HD2 LEU 45 2HD2 LEU 45 -9.124 7.887 -7.642 333 3HD2 LEU 45 3HD2 LEU 45 -9.467 7.164 -6.070 334 HA PRO 46 HA PRO 46 -9.102 9.306 -0.159 335 1HB PRO 46 2HB PRO 46 -11.524 8.107 0.086 336 2HB PRO 46 1HB PRO 46 -11.332 9.784 -0.439 337 1HG PRO 46 2HG PRO 46 -11.766 7.322 -2.088 338 2HG PRO 46 1HG PRO 46 -12.529 8.917 -2.240 339 1HD PRO 46 2HD PRO 46 -10.490 8.138 -3.832 340 2HD PRO 46 1HD PRO 46 -10.704 9.827 -3.324 341 H ILE 47 H ILE 47 -8.679 7.950 1.516 342 HA ILE 47 HA ILE 47 -7.390 5.588 1.311 343 HB ILE 47 HB ILE 47 -9.399 6.186 3.494 344 1HG1 ILE 47 2HG1 ILE 47 -6.496 7.016 3.260 345 2HG1 ILE 47 1HG1 ILE 47 -7.886 8.088 3.153 346 1HG2 ILE 47 1HG2 ILE 47 -8.765 4.167 4.192 347 2HG2 ILE 47 2HG2 ILE 47 -7.249 4.947 4.642 348 3HG2 ILE 47 3HG2 ILE 47 -7.389 4.115 3.093 349 1HD1 ILE 47 1HD1 ILE 47 -6.898 8.287 5.321 350 2HD1 ILE 47 2HD1 ILE 47 -6.981 6.542 5.565 351 3HD1 ILE 47 3HD1 ILE 47 -8.465 7.492 5.481 352 H LEU 48 H LEU 48 -10.895 6.022 1.324 353 HA LEU 48 HA LEU 48 -11.824 3.453 1.643 354 1HB LEU 48 2HB LEU 48 -13.086 5.676 1.206 355 2HB LEU 48 1HB LEU 48 -12.946 5.245 -0.488 356 HG LEU 48 HG LEU 48 -14.091 3.054 0.108 357 1HD1 LEU 48 1HD1 LEU 48 -15.448 3.070 2.149 358 2HD1 LEU 48 2HD1 LEU 48 -14.698 4.592 2.631 359 3HD1 LEU 48 3HD1 LEU 48 -13.723 3.128 2.511 360 1HD2 LEU 48 1HD2 LEU 48 -15.470 4.431 -1.074 361 2HD2 LEU 48 2HD2 LEU 48 -15.320 5.758 0.076 362 3HD2 LEU 48 3HD2 LEU 48 -16.350 4.377 0.454 363 H GLU 49 H GLU 49 -10.853 5.014 -1.398 364 HA GLU 49 HA GLU 49 -11.116 2.649 -2.984 365 1HB GLU 49 2HB GLU 49 -9.922 5.370 -3.399 366 2HB GLU 49 1HB GLU 49 -9.586 4.094 -4.557 367 1HG GLU 49 2HG GLU 49 -12.387 4.869 -3.799 368 2HG GLU 49 1HG GLU 49 -11.492 5.685 -5.080 369 H LEU 50 H LEU 50 -8.429 4.351 -1.428 370 HA LEU 50 HA LEU 50 -6.279 2.958 -2.410 371 1HB LEU 50 2HB LEU 50 -6.835 4.268 0.202 372 2HB LEU 50 1HB LEU 50 -5.398 3.277 0.074 373 HG LEU 50 HG LEU 50 -4.706 4.666 -1.903 374 1HD1 LEU 50 1HD1 LEU 50 -5.807 6.614 -2.502 375 2HD1 LEU 50 2HD1 LEU 50 -6.714 6.688 -0.991 376 3HD1 LEU 50 3HD1 LEU 50 -7.136 5.489 -2.214 377 1HD2 LEU 50 1HD2 LEU 50 -3.502 5.291 -0.082 378 2HD2 LEU 50 2HD2 LEU 50 -4.934 5.652 0.884 379 3HD2 LEU 50 3HD2 LEU 50 -4.393 6.787 -0.352 380 H SER 51 H SER 51 -8.673 1.819 -0.117 381 HA SER 51 HA SER 51 -7.320 -0.381 0.965 382 1HB SER 51 2HB SER 51 -9.495 -1.336 1.428 383 2HB SER 51 1HB SER 51 -9.611 0.411 1.648 384 HG SER 51 HG SER 51 -11.013 0.489 0.084 385 H HIS 52 H HIS 52 -9.445 -0.284 -1.887 386 HA HIS 52 HA HIS 52 -9.108 -2.901 -2.749 387 1HB HIS 52 2HB HIS 52 -10.791 -1.348 -3.654 388 2HB HIS 52 1HB HIS 52 -9.516 -0.443 -4.461 389 HD1 HIS 52 HD1 HIS 52 -10.609 -4.114 -4.429 390 HD2 HIS 52 HD2 HIS 52 -9.340 -1.124 -7.025 391 HE1 HIS 52 HE1 HIS 52 -10.669 -5.115 -6.753 392 H ILE 53 H ILE 53 -7.163 -0.026 -3.576 393 HA ILE 53 HA ILE 53 -5.483 -1.267 -5.447 394 HB ILE 53 HB ILE 53 -4.717 0.922 -3.499 395 1HG1 ILE 53 2HG1 ILE 53 -5.863 1.098 -6.296 396 2HG1 ILE 53 1HG1 ILE 53 -6.715 1.499 -4.809 397 1HG2 ILE 53 1HG2 ILE 53 -2.820 -0.201 -4.623 398 2HG2 ILE 53 2HG2 ILE 53 -2.987 1.496 -5.072 399 3HG2 ILE 53 3HG2 ILE 53 -3.523 0.233 -6.181 400 1HD1 ILE 53 1HD1 ILE 53 -5.873 3.545 -4.794 401 2HD1 ILE 53 2HD1 ILE 53 -5.279 3.220 -6.423 402 3HD1 ILE 53 3HD1 ILE 53 -4.230 2.949 -5.030 403 H TRP 54 H TRP 54 -5.086 -0.890 -1.921 404 HA TRP 54 HA TRP 54 -2.625 -2.190 -1.719 405 1HB TRP 54 2HB TRP 54 -3.578 -0.985 0.180 406 2HB TRP 54 1HB TRP 54 -4.873 -2.183 0.303 407 HD1 TRP 54 HD1 TRP 54 -4.147 -4.691 1.123 408 HE1 TRP 54 HE1 TRP 54 -2.124 -5.502 2.515 409 HE3 TRP 54 HE3 TRP 54 -1.203 -0.530 0.753 410 HZ2 TRP 54 HZ2 TRP 54 0.373 -4.469 3.371 411 HZ3 TRP 54 HZ3 TRP 54 0.978 -0.516 1.884 412 HH2 TRP 54 HH2 TRP 54 1.751 -2.444 3.166 413 H GLU 55 H GLU 55 -5.885 -3.616 -1.186 414 HA GLU 55 HA GLU 55 -5.034 -6.201 -0.724 415 1HB GLU 55 2HB GLU 55 -7.253 -6.947 -1.543 416 2HB GLU 55 1HB GLU 55 -7.341 -5.607 -0.412 417 1HG GLU 55 2HG GLU 55 -7.681 -4.055 -2.243 418 2HG GLU 55 1HG GLU 55 -7.548 -5.377 -3.402 419 H LEU 56 H LEU 56 -5.852 -4.772 -3.906 420 HA LEU 56 HA LEU 56 -5.205 -7.047 -5.423 421 1HB LEU 56 2HB LEU 56 -5.516 -4.151 -5.958 422 2HB LEU 56 1HB LEU 56 -4.653 -5.082 -7.166 423 HG LEU 56 HG LEU 56 -7.047 -4.853 -7.697 424 1HD1 LEU 56 1HD1 LEU 56 -7.054 -6.870 -8.662 425 2HD1 LEU 56 2HD1 LEU 56 -6.985 -7.711 -7.113 426 3HD1 LEU 56 3HD1 LEU 56 -5.503 -7.117 -7.860 427 1HD2 LEU 56 1HD2 LEU 56 -8.592 -6.326 -6.249 428 2HD2 LEU 56 2HD2 LEU 56 -8.160 -4.723 -5.654 429 3HD2 LEU 56 3HD2 LEU 56 -7.348 -6.148 -5.009 430 H SER 57 H SER 57 -3.185 -4.253 -4.528 431 HA SER 57 HA SER 57 -0.854 -5.234 -5.844 432 1HB SER 57 2HB SER 57 -1.258 -3.085 -3.759 433 2HB SER 57 1HB SER 57 0.295 -3.433 -4.507 434 HG SER 57 HG SER 57 -0.472 -2.760 -6.451 435 H ASP 58 H ASP 58 -2.206 -5.791 -2.701 436 HA ASP 58 HA ASP 58 0.316 -6.872 -1.702 437 1HB ASP 58 2HB ASP 58 -0.906 -5.289 -0.294 438 2HB ASP 58 1HB ASP 58 -2.283 -6.375 -0.265 439 H PHE 59 H PHE 59 -0.234 -8.530 -3.523 440 HA PHE 59 HA PHE 59 -2.087 -10.537 -3.363 441 1HB PHE 59 2HB PHE 59 0.699 -10.377 -4.369 442 2HB PHE 59 1HB PHE 59 -0.009 -11.980 -4.213 443 HD1 PHE 59 HD1 PHE 59 -2.729 -11.702 -5.013 444 HD2 PHE 59 HD2 PHE 59 0.714 -9.744 -6.573 445 HE1 PHE 59 HE1 PHE 59 -3.870 -11.427 -7.176 446 HE2 PHE 59 HE2 PHE 59 -0.425 -9.462 -8.736 447 HZ PHE 59 HZ PHE 59 -2.715 -10.306 -9.039 448 H ASP 60 H ASP 60 0.457 -9.994 -1.101 449 HA ASP 60 HA ASP 60 0.289 -12.733 -0.084 450 1HB ASP 60 2HB ASP 60 2.176 -12.067 1.376 451 2HB ASP 60 1HB ASP 60 2.528 -11.829 -0.334 452 H LYS 61 H LYS 61 -0.707 -9.493 0.704 453 HA LYS 61 HA LYS 61 -2.049 -8.669 2.344 454 1HB LYS 61 2HB LYS 61 -2.740 -11.560 2.372 455 2HB LYS 61 1HB LYS 61 -3.287 -10.579 3.723 456 1HG LYS 61 2HG LYS 61 -3.893 -10.066 0.816 457 2HG LYS 61 1HG LYS 61 -4.997 -10.776 1.994 458 1HD LYS 61 2HD LYS 61 -4.772 -8.672 3.337 459 2HD LYS 61 1HD LYS 61 -3.868 -7.981 1.988 460 1HE LYS 61 2HE LYS 61 -5.866 -7.293 1.239 461 2HE LYS 61 1HE LYS 61 -6.085 -8.968 0.738 462 1HZ LYS 61 1HZ LYS 61 -7.995 -8.361 1.955 463 2HZ LYS 61 2HZ LYS 61 -7.092 -7.673 3.208 464 3HZ LYS 61 3HZ LYS 61 -7.093 -9.350 2.989 465 H ASP 62 H ASP 62 0.639 -8.861 2.943 466 HA ASP 62 HA ASP 62 0.770 -9.862 5.706 467 1HB ASP 62 2HB ASP 62 3.153 -9.669 5.495 468 2HB ASP 62 1HB ASP 62 2.561 -10.411 4.009 469 H GLY 63 H GLY 63 -0.437 -7.235 4.467 470 1HA GLY 63 2HA GLY 63 -0.760 -5.083 5.239 471 2HA GLY 63 1HA GLY 63 -0.017 -5.605 6.747 472 H ALA 64 H ALA 64 2.001 -6.240 4.150 473 HA ALA 64 HA ALA 64 3.400 -3.660 4.392 474 1HB ALA 64 1HB ALA 64 5.510 -4.740 4.668 475 2HB ALA 64 2HB ALA 64 4.796 -6.330 4.402 476 3HB ALA 64 3HB ALA 64 4.409 -5.423 5.864 477 H LEU 65 H LEU 65 3.946 -2.806 2.481 478 HA LEU 65 HA LEU 65 3.634 -4.454 0.095 479 1HB LEU 65 2HB LEU 65 3.104 -1.705 0.769 480 2HB LEU 65 1HB LEU 65 4.135 -1.798 -0.644 481 HG LEU 65 HG LEU 65 2.515 -3.118 -1.825 482 1HD1 LEU 65 1HD1 LEU 65 0.263 -3.021 -0.110 483 2HD1 LEU 65 2HD1 LEU 65 1.598 -3.757 0.776 484 3HD1 LEU 65 3HD1 LEU 65 1.085 -4.435 -0.770 485 1HD2 LEU 65 1HD2 LEU 65 0.828 -1.504 -2.143 486 2HD2 LEU 65 2HD2 LEU 65 2.268 -0.605 -1.661 487 3HD2 LEU 65 3HD2 LEU 65 0.983 -0.908 -0.491 488 H THR 66 H THR 66 5.329 -5.287 -0.807 489 HA THR 66 HA THR 66 7.992 -4.286 -0.298 490 HB THR 66 HB THR 66 8.754 -6.173 -1.672 491 HG1 THR 66 HG1 THR 66 6.200 -7.274 -1.851 492 1HG2 THR 66 1HG2 THR 66 6.654 -6.963 0.350 493 2HG2 THR 66 2HG2 THR 66 8.317 -6.511 0.722 494 3HG2 THR 66 3HG2 THR 66 7.986 -7.974 -0.206 495 H LEU 67 H LEU 67 9.478 -3.849 -2.113 496 HA LEU 67 HA LEU 67 8.747 -1.751 -3.650 497 1HB LEU 67 2HB LEU 67 11.051 -2.783 -3.382 498 2HB LEU 67 1HB LEU 67 10.616 -3.889 -4.670 499 HG LEU 67 HG LEU 67 11.969 -2.073 -5.536 500 1HD1 LEU 67 1HD1 LEU 67 10.688 -1.566 -7.410 501 2HD1 LEU 67 2HD1 LEU 67 9.186 -1.518 -6.488 502 3HD1 LEU 67 3HD1 LEU 67 9.971 -3.063 -6.811 503 1HD2 LEU 67 1HD2 LEU 67 11.714 -0.231 -4.200 504 2HD2 LEU 67 2HD2 LEU 67 9.963 -0.412 -4.098 505 3HD2 LEU 67 3HD2 LEU 67 10.700 0.228 -5.568 506 H ASP 68 H ASP 68 8.298 -5.170 -4.494 507 HA ASP 68 HA ASP 68 7.351 -4.720 -7.126 508 1HB ASP 68 2HB ASP 68 7.794 -6.941 -5.431 509 2HB ASP 68 1HB ASP 68 6.119 -7.022 -5.952 510 H GLU 69 H GLU 69 5.619 -5.350 -4.082 511 HA GLU 69 HA GLU 69 3.027 -5.053 -5.034 512 1HB GLU 69 2HB GLU 69 3.932 -3.996 -2.348 513 2HB GLU 69 1HB GLU 69 2.371 -4.693 -2.766 514 1HG GLU 69 2HG GLU 69 3.462 -6.876 -3.098 515 2HG GLU 69 1HG GLU 69 4.993 -6.166 -2.605 516 H PHE 70 H PHE 70 5.455 -2.735 -4.121 517 HA PHE 70 HA PHE 70 3.963 -0.350 -4.258 518 1HB PHE 70 2HB PHE 70 6.090 -0.271 -3.205 519 2HB PHE 70 1HB PHE 70 6.878 -1.034 -4.576 520 HD1 PHE 70 HD1 PHE 70 8.582 0.604 -4.759 521 HD2 PHE 70 HD2 PHE 70 4.484 1.712 -4.995 522 HE1 PHE 70 HE1 PHE 70 9.235 2.795 -5.655 523 HE2 PHE 70 HE2 PHE 70 5.128 3.911 -5.890 524 HZ PHE 70 HZ PHE 70 7.512 4.458 -6.210 525 H CYS 71 H CYS 71 6.165 -1.811 -6.656 526 HA CYS 71 HA CYS 71 5.815 -0.057 -8.746 527 1HB CYS 71 2HB CYS 71 6.330 -3.010 -8.651 528 2HB CYS 71 1HB CYS 71 6.135 -2.198 -10.198 529 HG CYS 71 HG CYS 71 8.802 -2.336 -10.024 530 H ALA 72 H ALA 72 3.959 -3.054 -8.243 531 HA ALA 72 HA ALA 72 2.145 -2.596 -10.346 532 1HB ALA 72 1HB ALA 72 0.894 -4.085 -8.239 533 2HB ALA 72 2HB ALA 72 2.569 -4.605 -8.432 534 3HB ALA 72 3HB ALA 72 1.471 -4.639 -9.812 535 H ALA 73 H ALA 73 2.006 -1.764 -6.907 536 HA ALA 73 HA ALA 73 -0.629 -0.850 -6.808 537 1HB ALA 73 1HB ALA 73 1.214 -1.149 -4.949 538 2HB ALA 73 2HB ALA 73 -0.134 -0.033 -4.734 539 3HB ALA 73 3HB ALA 73 1.446 0.577 -5.228 540 H PHE 74 H PHE 74 2.336 1.092 -7.290 541 HA PHE 74 HA PHE 74 1.026 3.525 -7.722 542 1HB PHE 74 2HB PHE 74 3.566 2.964 -7.409 543 2HB PHE 74 1HB PHE 74 3.568 2.862 -9.167 544 HD1 PHE 74 HD1 PHE 74 4.901 4.865 -7.093 545 HD2 PHE 74 HD2 PHE 74 1.558 5.045 -9.721 546 HE1 PHE 74 HE1 PHE 74 5.132 7.310 -7.213 547 HE2 PHE 74 HE2 PHE 74 1.786 7.491 -9.846 548 HZ PHE 74 HZ PHE 74 3.574 8.626 -8.591 549 H HIS 75 H HIS 75 2.191 1.129 -10.100 550 HA HIS 75 HA HIS 75 1.350 2.437 -12.416 551 1HB HIS 75 2HB HIS 75 2.533 0.017 -11.760 552 2HB HIS 75 1HB HIS 75 1.022 -0.455 -12.506 553 HD1 HIS 75 HD1 HIS 75 0.646 1.031 -14.936 554 HD2 HIS 75 HD2 HIS 75 4.487 0.258 -13.558 555 HE1 HIS 75 HE1 HIS 75 2.186 1.326 -16.920 556 H LEU 76 H LEU 76 -0.322 -0.059 -10.518 557 HA LEU 76 HA LEU 76 -2.683 -0.114 -12.000 558 1HB LEU 76 2HB LEU 76 -1.800 -1.683 -10.147 559 2HB LEU 76 1HB LEU 76 -2.568 -0.570 -9.032 560 HG LEU 76 HG LEU 76 -4.109 -1.828 -11.267 561 1HD1 LEU 76 1HD1 LEU 76 -2.951 -3.561 -9.841 562 2HD1 LEU 76 2HD1 LEU 76 -4.712 -3.658 -9.897 563 3HD1 LEU 76 3HD1 LEU 76 -3.911 -2.959 -8.489 564 1HD2 LEU 76 1HD2 LEU 76 -5.858 -1.539 -9.307 565 2HD2 LEU 76 2HD2 LEU 76 -5.448 -0.201 -10.380 566 3HD2 LEU 76 3HD2 LEU 76 -4.706 -0.312 -8.784 567 H VAL 77 H VAL 77 -1.782 1.835 -9.163 568 HA VAL 77 HA VAL 77 -4.231 3.135 -8.783 569 HB VAL 77 HB VAL 77 -1.433 4.167 -8.279 570 1HG1 VAL 77 1HG1 VAL 77 -3.082 5.997 -8.430 571 2HG1 VAL 77 2HG1 VAL 77 -2.441 5.803 -6.799 572 3HG1 VAL 77 3HG1 VAL 77 -4.051 5.201 -7.190 573 1HG2 VAL 77 1HG2 VAL 77 -1.442 2.669 -6.634 574 2HG2 VAL 77 2HG2 VAL 77 -3.122 2.245 -6.956 575 3HG2 VAL 77 3HG2 VAL 77 -2.744 3.592 -5.884 576 H VAL 78 H VAL 78 -1.434 4.041 -10.771 577 HA VAL 78 HA VAL 78 -2.331 6.464 -11.760 578 HB VAL 78 HB VAL 78 -0.764 4.282 -13.131 579 1HG1 VAL 78 1HG1 VAL 78 -0.034 6.461 -14.489 580 2HG1 VAL 78 2HG1 VAL 78 -1.699 6.912 -14.119 581 3HG1 VAL 78 3HG1 VAL 78 -1.365 5.422 -15.001 582 1HG2 VAL 78 1HG2 VAL 78 0.023 6.818 -11.712 583 2HG2 VAL 78 2HG2 VAL 78 1.133 5.854 -12.688 584 3HG2 VAL 78 3HG2 VAL 78 0.396 5.161 -11.243 585 H ALA 79 H ALA 79 -2.993 3.187 -12.970 586 HA ALA 79 HA ALA 79 -4.581 3.935 -15.173 587 1HB ALA 79 1HB ALA 79 -5.051 1.379 -13.692 588 2HB ALA 79 2HB ALA 79 -3.534 1.642 -14.552 589 3HB ALA 79 3HB ALA 79 -5.063 1.688 -15.428 590 H ARG 80 H ARG 80 -5.509 2.920 -11.885 591 HA ARG 80 HA ARG 80 -8.262 3.074 -12.129 592 1HB ARG 80 2HB ARG 80 -6.940 2.340 -10.109 593 2HB ARG 80 1HB ARG 80 -6.708 4.033 -9.717 594 1HG ARG 80 2HG ARG 80 -9.386 2.692 -9.960 595 2HG ARG 80 1HG ARG 80 -8.527 2.933 -8.439 596 1HD ARG 80 2HD ARG 80 -9.612 4.897 -8.302 597 2HD ARG 80 1HD ARG 80 -8.576 5.455 -9.622 598 HE ARG 80 HE ARG 80 -10.393 5.398 -10.989 599 1HH1 ARG 80 2HH1 ARG 80 -11.144 3.597 -8.152 600 2HH1 ARG 80 1HH1 ARG 80 -12.629 2.976 -8.777 601 1HH2 ARG 80 1HH2 ARG 80 -12.318 4.610 -11.835 602 2HH2 ARG 80 2HH2 ARG 80 -13.304 3.558 -10.886 603 H LYS 81 H LYS 81 -5.883 5.594 -11.903 604 HA LYS 81 HA LYS 81 -7.828 7.725 -11.595 605 1HB LYS 81 2HB LYS 81 -5.662 7.904 -10.476 606 2HB LYS 81 1HB LYS 81 -4.843 7.826 -12.031 607 1HG LYS 81 2HG LYS 81 -5.663 9.932 -12.686 608 2HG LYS 81 1HG LYS 81 -6.827 9.974 -11.363 609 1HD LYS 81 2HD LYS 81 -4.999 10.131 -9.753 610 2HD LYS 81 1HD LYS 81 -3.824 10.058 -11.068 611 1HE LYS 81 2HE LYS 81 -4.904 12.113 -12.017 612 2HE LYS 81 1HE LYS 81 -5.856 12.219 -10.538 613 1HZ LYS 81 1HZ LYS 81 -3.721 12.308 -9.305 614 2HZ LYS 81 2HZ LYS 81 -3.978 13.634 -10.328 615 3HZ LYS 81 3HZ LYS 81 -2.909 12.406 -10.790 616 H ASN 82 H ASN 82 -5.894 6.323 -14.175 617 HA ASN 82 HA ASN 82 -7.370 8.001 -16.082 618 1HB ASN 82 2HB ASN 82 -4.370 7.618 -16.127 619 2HB ASN 82 1HB ASN 82 -5.314 8.479 -17.339 620 1HD2 ASN 82 1HD2 ASN 82 -3.532 8.772 -14.551 621 2HD2 ASN 82 2HD2 ASN 82 -4.024 10.360 -14.088 622 H GLY 83 H GLY 83 -8.100 5.460 -15.673 623 1HA GLY 83 2HA GLY 83 -7.326 4.200 -18.196 624 2HA GLY 83 1HA GLY 83 -7.077 3.270 -16.728 625 H TYR 84 H TYR 84 -8.550 1.680 -16.964 626 HA TYR 84 HA TYR 84 -11.355 2.488 -17.356 627 1HB TYR 84 2HB TYR 84 -10.242 -0.260 -17.910 628 2HB TYR 84 1HB TYR 84 -11.787 0.410 -18.430 629 HD1 TYR 84 HD1 TYR 84 -11.966 1.630 -20.452 630 HD2 TYR 84 HD2 TYR 84 -8.128 0.620 -18.910 631 HE1 TYR 84 HE1 TYR 84 -10.930 2.357 -22.562 632 HE2 TYR 84 HE2 TYR 84 -7.085 1.345 -21.012 633 HH TYR 84 HH TYR 84 -9.040 2.423 -23.756 634 H ASP 85 H ASP 85 -12.947 0.981 -16.304 635 HA ASP 85 HA ASP 85 -12.386 0.834 -13.547 636 1HB ASP 85 2HB ASP 85 -14.658 1.110 -14.641 637 2HB ASP 85 1HB ASP 85 -14.621 -0.626 -14.942 638 H LEU 86 H LEU 86 -11.642 -0.756 -12.296 639 HA LEU 86 HA LEU 86 -10.766 -3.222 -13.595 640 1HB LEU 86 2HB LEU 86 -10.035 -1.915 -10.990 641 2HB LEU 86 1HB LEU 86 -9.556 -3.558 -11.372 642 HG LEU 86 HG LEU 86 -8.454 -2.599 -13.459 643 1HD1 LEU 86 1HD1 LEU 86 -8.488 -0.421 -13.895 644 2HD1 LEU 86 2HD1 LEU 86 -8.042 -0.010 -12.240 645 3HD1 LEU 86 3HD1 LEU 86 -9.735 -0.277 -12.656 646 1HD2 LEU 86 1HD2 LEU 86 -6.443 -2.129 -12.298 647 2HD2 LEU 86 2HD2 LEU 86 -7.316 -3.332 -11.348 648 3HD2 LEU 86 3HD2 LEU 86 -7.316 -1.641 -10.846 649 HA PRO 87 HA PRO 87 -13.684 -5.861 -11.627 650 1HB PRO 87 2HB PRO 87 -12.239 -8.087 -11.133 651 2HB PRO 87 1HB PRO 87 -12.658 -7.578 -12.774 652 1HG PRO 87 2HG PRO 87 -10.095 -7.181 -11.268 653 2HG PRO 87 1HG PRO 87 -10.335 -7.700 -12.949 654 1HD PRO 87 2HD PRO 87 -9.702 -5.149 -12.281 655 2HD PRO 87 1HD PRO 87 -10.697 -5.553 -13.694 656 H GLU 88 H GLU 88 -12.824 -7.945 -9.709 657 HA GLU 88 HA GLU 88 -11.699 -6.778 -7.395 658 1HB GLU 88 2HB GLU 88 -13.758 -6.568 -6.028 659 2HB GLU 88 1HB GLU 88 -13.702 -5.417 -7.357 660 1HG GLU 88 2HG GLU 88 -15.164 -6.931 -8.663 661 2HG GLU 88 1HG GLU 88 -15.294 -7.967 -7.245 662 H LYS 89 H LYS 89 -10.719 -8.928 -7.713 663 HA LYS 89 HA LYS 89 -12.284 -11.285 -7.325 664 1HB LYS 89 2HB LYS 89 -9.406 -10.664 -7.616 665 2HB LYS 89 1HB LYS 89 -9.809 -12.163 -6.791 666 1HG LYS 89 2HG LYS 89 -9.449 -12.524 -9.165 667 2HG LYS 89 1HG LYS 89 -11.110 -12.891 -8.707 668 1HD LYS 89 2HD LYS 89 -11.803 -10.674 -9.541 669 2HD LYS 89 1HD LYS 89 -10.142 -10.371 -10.059 670 1HE LYS 89 2HE LYS 89 -12.045 -12.472 -11.073 671 2HE LYS 89 1HE LYS 89 -11.352 -11.120 -11.971 672 1HZ LYS 89 1HZ LYS 89 -9.700 -13.290 -10.805 673 2HZ LYS 89 2HZ LYS 89 -9.232 -12.129 -11.943 674 3HZ LYS 89 3HZ LYS 89 -10.316 -13.354 -12.381 675 H LEU 90 H LEU 90 -10.583 -9.143 -5.157 676 HA LEU 90 HA LEU 90 -10.379 -10.906 -2.956 677 1HB LEU 90 2HB LEU 90 -9.194 -8.673 -3.406 678 2HB LEU 90 1HB LEU 90 -10.632 -7.922 -2.740 679 HG LEU 90 HG LEU 90 -8.812 -8.137 -1.089 680 1HD1 LEU 90 1HD1 LEU 90 -10.221 -8.536 0.634 681 2HD1 LEU 90 2HD1 LEU 90 -10.857 -10.020 -0.078 682 3HD1 LEU 90 3HD1 LEU 90 -11.421 -8.452 -0.655 683 1HD2 LEU 90 1HD2 LEU 90 -7.901 -10.148 -0.419 684 2HD2 LEU 90 2HD2 LEU 90 -8.092 -10.394 -2.154 685 3HD2 LEU 90 3HD2 LEU 90 -9.261 -11.089 -1.032 686 HA PRO 91 HA PRO 91 -14.812 -10.803 -2.038 687 1HB PRO 91 2HB PRO 91 -14.768 -12.827 -0.246 688 2HB PRO 91 1HB PRO 91 -14.743 -13.104 -1.992 689 1HG PRO 91 2HG PRO 91 -12.470 -13.094 -0.045 690 2HG PRO 91 1HG PRO 91 -12.810 -14.236 -1.359 691 1HD PRO 91 2HD PRO 91 -10.999 -12.235 -1.601 692 2HD PRO 91 1HD PRO 91 -11.959 -12.824 -2.974 693 H GLU 92 H GLU 92 -15.923 -9.788 -0.445 694 HA GLU 92 HA GLU 92 -14.754 -8.089 1.336 695 1HB GLU 92 2HB GLU 92 -17.209 -8.322 0.621 696 2HB GLU 92 1HB GLU 92 -17.361 -9.454 1.956 697 1HG GLU 92 2HG GLU 92 -18.118 -7.278 2.631 698 2HG GLU 92 1HG GLU 92 -16.647 -7.697 3.509 699 H SER 93 H SER 93 -16.143 -11.268 2.267 700 HA SER 93 HA SER 93 -14.085 -11.474 4.349 701 1HB SER 93 2HB SER 93 -15.636 -11.957 6.094 702 2HB SER 93 1HB SER 93 -16.246 -10.505 5.300 703 HG SER 93 HG SER 93 -17.159 -13.170 4.986 704 H LEU 94 H LEU 94 -14.338 -12.835 1.836 705 HA LEU 94 HA LEU 94 -14.511 -15.578 2.844 706 1HB LEU 94 2HB LEU 94 -15.914 -14.613 0.353 707 2HB LEU 94 1HB LEU 94 -15.735 -16.297 0.810 708 HG LEU 94 HG LEU 94 -17.001 -15.719 2.935 709 1HD1 LEU 94 1HD1 LEU 94 -16.645 -13.139 2.175 710 2HD1 LEU 94 2HD1 LEU 94 -17.890 -13.692 3.294 711 3HD1 LEU 94 3HD1 LEU 94 -18.280 -13.446 1.592 712 1HD2 LEU 94 1HD2 LEU 94 -18.016 -15.966 0.192 713 2HD2 LEU 94 2HD2 LEU 94 -19.180 -15.370 1.377 714 3HD2 LEU 94 3HD2 LEU 94 -18.376 -16.918 1.632 715 H MET 95 H MET 95 -12.114 -14.372 2.446 716 HA MET 95 HA MET 95 -11.094 -14.569 -0.169 717 1HB MET 95 2HB MET 95 -9.503 -14.836 2.377 718 2HB MET 95 1HB MET 95 -8.931 -14.287 0.807 719 1HG MET 95 2HG MET 95 -9.173 -12.305 1.930 720 2HG MET 95 1HG MET 95 -10.724 -12.434 1.097 721 1HE MET 95 1HE MET 95 -9.398 -14.350 4.306 722 2HE MET 95 2HE MET 95 -9.999 -13.273 5.566 723 3HE MET 95 3HE MET 95 -8.785 -12.702 4.420 724 HA PRO 96 HA PRO 96 -10.715 -18.903 -0.851 725 1HB PRO 96 2HB PRO 96 -8.622 -18.800 -2.639 726 2HB PRO 96 1HB PRO 96 -10.309 -18.477 -3.054 727 1HG PRO 96 2HG PRO 96 -8.103 -16.550 -2.453 728 2HG PRO 96 1HG PRO 96 -9.360 -16.462 -3.701 729 1HD PRO 96 2HD PRO 96 -9.528 -15.042 -1.429 730 2HD PRO 96 1HD PRO 96 -10.970 -15.728 -2.205 731 H LYS 97 HN LYS 97 -9.817 -18.788 1.522 732 HA LYS 97 HA LYS 97 -7.137 -19.989 1.441 733 1HB LYS 97 2HB LYS 97 -8.099 -17.782 3.238 734 2HB LYS 97 1HB LYS 97 -6.799 -18.856 3.739 735 1HG LYS 97 2HG LYS 97 -6.740 -17.303 1.170 736 2HG LYS 97 1HG LYS 97 -6.093 -16.682 2.691 737 1HD LYS 97 2HD LYS 97 -4.622 -18.678 2.820 738 2HD LYS 97 1HD LYS 97 -5.221 -19.181 1.240 739 1HE LYS 97 2HE LYS 97 -4.403 -17.026 0.310 740 2HE LYS 97 1HE LYS 97 -3.695 -16.664 1.882 741 1HZ LYS 97 1HZ LYS 97 -2.535 -18.077 -0.182 742 2HZ LYS 97 2HZ LYS 97 -2.898 -19.236 0.998 743 3HZ LYS 97 3HZ LYS 97 -1.939 -17.896 1.393 Start of MODEL 2 1 1H TRP 6 1H TRP 6 3.265 -7.727 -15.628 2 2H TRP 6 2H TRP 6 2.100 -8.893 -15.241 3 3H TRP 6 3H TRP 6 2.584 -7.763 -14.077 4 HA TRP 6 HA TRP 6 0.513 -7.562 -15.976 5 1HB TRP 6 2HB TRP 6 0.900 -6.829 -13.449 6 2HB TRP 6 1HB TRP 6 1.391 -5.317 -14.202 7 HD1 TRP 6 HD1 TRP 6 -1.595 -7.620 -15.130 8 HE1 TRP 6 HE1 TRP 6 -3.745 -6.205 -15.037 9 HE3 TRP 6 HE3 TRP 6 0.408 -3.203 -13.504 10 HZ2 TRP 6 HZ2 TRP 6 -4.491 -3.568 -14.362 11 HZ3 TRP 6 HZ3 TRP 6 -1.094 -1.284 -13.159 12 HH2 TRP 6 HH2 TRP 6 -3.493 -1.464 -13.580 13 H LYS 7 H LYS 7 0.268 -4.816 -16.448 14 HA LYS 7 HA LYS 7 2.298 -4.505 -18.523 15 1HB LYS 7 2HB LYS 7 -0.469 -3.502 -18.158 16 2HB LYS 7 1HB LYS 7 0.640 -2.487 -19.076 17 1HG LYS 7 2HG LYS 7 0.524 -3.814 -20.854 18 2HG LYS 7 1HG LYS 7 0.822 -5.256 -19.884 19 1HD LYS 7 2HD LYS 7 -1.329 -5.388 -21.031 20 2HD LYS 7 1HD LYS 7 -1.543 -5.350 -19.283 21 1HE LYS 7 2HE LYS 7 -2.242 -3.089 -19.326 22 2HE LYS 7 1HE LYS 7 -1.725 -2.891 -21.002 23 1HZ LYS 7 1HZ LYS 7 -3.446 -4.761 -21.425 24 2HZ LYS 7 2HZ LYS 7 -3.979 -3.168 -21.226 25 3HZ LYS 7 3HZ LYS 7 -4.100 -4.266 -19.946 26 H ILE 8 H ILE 8 4.072 -3.784 -17.473 27 HA ILE 8 HA ILE 8 3.918 -1.053 -16.379 28 HB ILE 8 HB ILE 8 5.649 -3.293 -15.328 29 1HG1 ILE 8 2HG1 ILE 8 3.296 -1.871 -14.061 30 2HG1 ILE 8 1HG1 ILE 8 3.281 -3.517 -14.685 31 1HG2 ILE 8 1HG2 ILE 8 5.755 -1.271 -13.501 32 2HG2 ILE 8 2HG2 ILE 8 5.726 -0.387 -15.027 33 3HG2 ILE 8 3HG2 ILE 8 6.977 -1.595 -14.730 34 1HD1 ILE 8 1HD1 ILE 8 3.559 -3.120 -12.152 35 2HD1 ILE 8 2HD1 ILE 8 5.230 -2.732 -12.565 36 3HD1 ILE 8 3HD1 ILE 8 4.571 -4.322 -12.951 37 H THR 9 H THR 9 5.357 0.355 -17.268 38 HA THR 9 HA THR 9 7.454 -0.796 -18.994 39 HB THR 9 HB THR 9 6.303 1.993 -19.164 40 HG1 THR 9 HG1 THR 9 5.559 0.806 -21.275 41 1HG2 THR 9 1HG2 THR 9 7.393 1.416 -21.587 42 2HG2 THR 9 2HG2 THR 9 8.502 0.575 -20.504 43 3HG2 THR 9 3HG2 THR 9 8.219 2.304 -20.307 44 H ASP 10 H ASP 10 9.561 -0.233 -18.745 45 HA ASP 10 HA ASP 10 10.601 0.526 -16.339 46 1HB ASP 10 2HB ASP 10 11.751 -0.268 -18.572 47 2HB ASP 10 1HB ASP 10 11.994 1.458 -18.818 48 H GLU 11 H GLU 11 9.497 2.608 -18.950 49 HA GLU 11 HA GLU 11 10.481 5.062 -18.170 50 1HB GLU 11 2HB GLU 11 8.400 4.081 -19.868 51 2HB GLU 11 1HB GLU 11 7.766 5.432 -18.941 52 1HG GLU 11 2HG GLU 11 9.690 6.793 -19.702 53 2HG GLU 11 1HG GLU 11 10.199 5.438 -20.711 54 H GLN 12 H GLN 12 7.415 3.551 -17.137 55 HA GLN 12 HA GLN 12 6.929 5.561 -15.150 56 1HB GLN 12 2HB GLN 12 5.566 3.159 -16.203 57 2HB GLN 12 1HB GLN 12 5.227 3.546 -14.525 58 1HG GLN 12 2HG GLN 12 3.998 5.346 -15.055 59 2HG GLN 12 1HG GLN 12 5.079 5.821 -16.367 60 1HE2 GLN 12 1HE2 GLN 12 4.015 5.894 -18.205 61 2HE2 GLN 12 2HE2 GLN 12 2.834 4.758 -18.743 62 H ARG 13 H ARG 13 8.247 2.333 -15.273 63 HA ARG 13 HA ARG 13 8.298 1.713 -12.548 64 1HB ARG 13 2HB ARG 13 9.015 0.472 -14.814 65 2HB ARG 13 1HB ARG 13 10.606 0.940 -14.241 66 1HG ARG 13 2HG ARG 13 10.530 -0.462 -12.452 67 2HG ARG 13 1HG ARG 13 8.764 -0.413 -12.345 68 1HD ARG 13 2HD ARG 13 8.759 -1.635 -14.566 69 2HD ARG 13 1HD ARG 13 10.474 -1.920 -14.300 70 HE ARG 13 HE ARG 13 8.478 -3.482 -13.292 71 1HH1 ARG 13 2HH1 ARG 13 11.044 -1.638 -11.899 72 2HH1 ARG 13 1HH1 ARG 13 11.216 -2.695 -10.546 73 1HH2 ARG 13 1HH2 ARG 13 8.722 -4.854 -11.559 74 2HH2 ARG 13 2HH2 ARG 13 9.915 -4.518 -10.355 75 H GLN 14 H GLN 14 10.869 3.146 -14.535 76 HA GLN 14 HA GLN 14 12.591 3.792 -12.400 77 1HB GLN 14 2HB GLN 14 12.577 3.947 -15.224 78 2HB GLN 14 1HB GLN 14 12.891 5.567 -14.629 79 1HG GLN 14 2HG GLN 14 14.635 4.373 -13.113 80 2HG GLN 14 1HG GLN 14 14.497 3.084 -14.310 81 1HE2 GLN 14 1HE2 GLN 14 15.943 3.197 -15.860 82 2HE2 GLN 14 2HE2 GLN 14 16.652 4.639 -16.488 83 H TYR 15 H TYR 15 10.158 5.594 -14.236 84 HA TYR 15 HA TYR 15 10.496 8.122 -13.180 85 1HB TYR 15 2HB TYR 15 8.882 7.348 -14.992 86 2HB TYR 15 1HB TYR 15 7.804 6.852 -13.695 87 HD1 TYR 15 HD1 TYR 15 9.787 9.860 -14.695 88 HD2 TYR 15 HD2 TYR 15 6.144 8.333 -13.111 89 HE1 TYR 15 HE1 TYR 15 8.880 12.142 -14.601 90 HE2 TYR 15 HE2 TYR 15 5.227 10.613 -13.014 91 HH TYR 15 HH TYR 15 6.397 13.133 -14.645 92 H TYR 16 H TYR 16 8.635 5.403 -11.895 93 HA TYR 16 HA TYR 16 7.722 6.772 -9.567 94 1HB TYR 16 2HB TYR 16 7.938 3.811 -10.138 95 2HB TYR 16 1HB TYR 16 7.031 4.530 -8.810 96 HD1 TYR 16 HD1 TYR 16 6.527 6.869 -11.170 97 HD2 TYR 16 HD2 TYR 16 5.541 2.786 -10.479 98 HE1 TYR 16 HE1 TYR 16 4.579 7.097 -12.651 99 HE2 TYR 16 HE2 TYR 16 3.588 3.005 -11.958 100 HH TYR 16 HH TYR 16 3.060 5.843 -13.899 101 H VAL 17 H VAL 17 10.312 4.379 -10.097 102 HA VAL 17 HA VAL 17 11.221 4.039 -7.524 103 HB VAL 17 HB VAL 17 12.878 4.200 -10.041 104 1HG1 VAL 17 1HG1 VAL 17 14.583 2.972 -8.864 105 2HG1 VAL 17 2HG1 VAL 17 13.588 2.909 -7.410 106 3HG1 VAL 17 3HG1 VAL 17 14.224 4.453 -7.977 107 1HG2 VAL 17 1HG2 VAL 17 10.902 2.392 -9.302 108 2HG2 VAL 17 2HG2 VAL 17 12.418 1.576 -8.919 109 3HG2 VAL 17 3HG2 VAL 17 12.125 2.170 -10.554 110 H ASN 18 H ASN 18 12.358 6.548 -9.807 111 HA ASN 18 HA ASN 18 14.327 7.735 -8.381 112 1HB ASN 18 2HB ASN 18 12.641 8.530 -10.503 113 2HB ASN 18 1HB ASN 18 12.657 9.855 -9.347 114 1HD2 ASN 18 1HD2 ASN 18 13.989 9.057 -12.071 115 2HD2 ASN 18 2HD2 ASN 18 15.598 9.644 -11.865 116 H GLN 19 H GLN 19 10.850 8.420 -7.862 117 HA GLN 19 HA GLN 19 11.635 9.972 -5.506 118 1HB GLN 19 2HB GLN 19 8.975 9.684 -6.897 119 2HB GLN 19 1HB GLN 19 9.220 10.623 -5.428 120 1HG GLN 19 2HG GLN 19 10.839 12.031 -6.606 121 2HG GLN 19 1HG GLN 19 10.568 11.102 -8.078 122 1HE2 GLN 19 1HE2 GLN 19 7.701 11.298 -6.432 123 2HE2 GLN 19 2HE2 GLN 19 7.023 12.663 -7.242 124 H PHE 20 H PHE 20 9.545 7.213 -6.336 125 HA PHE 20 HA PHE 20 8.540 6.641 -3.845 126 1HB PHE 20 2HB PHE 20 9.059 5.102 -6.296 127 2HB PHE 20 1HB PHE 20 8.897 4.147 -4.834 128 HD1 PHE 20 HD1 PHE 20 6.810 3.142 -5.662 129 HD2 PHE 20 HD2 PHE 20 7.218 7.341 -5.094 130 HE1 PHE 20 HE1 PHE 20 4.363 3.387 -5.707 131 HE2 PHE 20 HE2 PHE 20 4.777 7.591 -5.142 132 HZ PHE 20 HZ PHE 20 3.355 5.617 -5.435 133 H LYS 21 H LYS 21 11.761 6.022 -5.099 134 HA LYS 21 HA LYS 21 12.714 4.187 -3.271 135 1HB LYS 21 2HB LYS 21 14.944 5.257 -3.609 136 2HB LYS 21 1HB LYS 21 14.093 4.904 -5.104 137 1HG LYS 21 2HG LYS 21 15.064 7.028 -5.380 138 2HG LYS 21 1HG LYS 21 13.342 7.304 -5.113 139 1HD LYS 21 2HD LYS 21 13.746 8.530 -3.305 140 2HD LYS 21 1HD LYS 21 14.783 7.280 -2.612 141 1HE LYS 21 2HE LYS 21 15.970 9.426 -2.950 142 2HE LYS 21 1HE LYS 21 16.684 8.108 -3.877 143 1HZ LYS 21 1HZ LYS 21 14.769 9.292 -5.483 144 2HZ LYS 21 2HZ LYS 21 16.440 9.342 -5.686 145 3HZ LYS 21 3HZ LYS 21 15.652 10.558 -4.810 146 H THR 22 H THR 22 11.860 7.513 -2.781 147 HA THR 22 HA THR 22 13.271 8.181 -0.496 148 HB THR 22 HB THR 22 10.425 8.905 -1.223 149 HG1 THR 22 HG1 THR 22 11.598 10.946 -1.710 150 1HG2 THR 22 1HG2 THR 22 11.421 10.928 0.364 151 2HG2 THR 22 2HG2 THR 22 11.972 9.465 1.180 152 3HG2 THR 22 3HG2 THR 22 10.253 9.701 0.861 153 H ILE 23 H ILE 23 10.558 5.995 -0.849 154 HA ILE 23 HA ILE 23 10.373 5.724 2.072 155 HB ILE 23 HB ILE 23 8.610 4.313 0.079 156 1HG1 ILE 23 2HG1 ILE 23 6.933 6.148 0.725 157 2HG1 ILE 23 1HG1 ILE 23 8.327 7.071 1.271 158 1HG2 ILE 23 1HG2 ILE 23 8.104 5.087 2.948 159 2HG2 ILE 23 2HG2 ILE 23 8.748 3.522 2.454 160 3HG2 ILE 23 3HG2 ILE 23 7.136 4.017 1.941 161 1HD1 ILE 23 1HD1 ILE 23 8.801 6.095 -1.374 162 2HD1 ILE 23 2HD1 ILE 23 8.721 7.757 -0.790 163 3HD1 ILE 23 3HD1 ILE 23 7.248 6.931 -1.310 164 H GLN 24 H GLN 24 11.542 4.110 -0.749 165 HA GLN 24 HA GLN 24 12.389 1.853 0.928 166 1HB GLN 24 2HB GLN 24 10.310 1.624 -0.764 167 2HB GLN 24 1HB GLN 24 11.627 1.253 -1.865 168 1HG GLN 24 2HG GLN 24 12.257 -0.647 -0.655 169 2HG GLN 24 1HG GLN 24 11.355 -0.138 0.775 170 1HE2 GLN 24 1HE2 GLN 24 9.710 -1.470 1.092 171 2HE2 GLN 24 2HE2 GLN 24 8.666 -2.101 -0.131 172 HA PRO 25 HA PRO 25 16.244 3.007 -1.075 173 1HB PRO 25 2HB PRO 25 17.851 1.355 0.304 174 2HB PRO 25 1HB PRO 25 17.137 2.797 1.036 175 1HG PRO 25 2HG PRO 25 16.265 -0.061 1.239 176 2HG PRO 25 1HG PRO 25 16.385 1.165 2.515 177 1HD PRO 25 2HD PRO 25 14.038 0.494 1.290 178 2HD PRO 25 1HD PRO 25 14.357 2.099 1.978 179 H ASP 26 H ASP 26 15.373 -0.421 -0.658 180 HA ASP 26 HA ASP 26 16.238 -1.001 -3.368 181 1HB ASP 26 2HB ASP 26 18.158 -1.308 -1.646 182 2HB ASP 26 1HB ASP 26 17.251 -2.711 -1.102 183 H LEU 27 H LEU 27 15.891 -3.656 -3.493 184 HA LEU 27 HA LEU 27 13.079 -3.983 -3.108 185 1HB LEU 27 2HB LEU 27 15.163 -6.006 -3.938 186 2HB LEU 27 1HB LEU 27 13.431 -6.271 -3.984 187 HG LEU 27 HG LEU 27 13.329 -4.262 -5.564 188 1HD1 LEU 27 1HD1 LEU 27 15.185 -3.214 -6.190 189 2HD1 LEU 27 2HD1 LEU 27 15.994 -4.735 -6.563 190 3HD1 LEU 27 3HD1 LEU 27 16.027 -4.100 -4.919 191 1HD2 LEU 27 1HD2 LEU 27 13.502 -5.654 -7.411 192 2HD2 LEU 27 2HD2 LEU 27 13.220 -6.789 -6.091 193 3HD2 LEU 27 3HD2 LEU 27 14.850 -6.563 -6.728 194 H ASN 28 H ASN 28 15.507 -4.124 -0.965 195 HA ASN 28 HA ASN 28 14.447 -6.365 0.600 196 1HB ASN 28 2HB ASN 28 16.895 -6.211 0.327 197 2HB ASN 28 1HB ASN 28 16.875 -4.617 1.073 198 1HD2 ASN 28 1HD2 ASN 28 16.989 -4.472 3.219 199 2HD2 ASN 28 2HD2 ASN 28 16.958 -5.815 4.305 200 H GLY 29 H GLY 29 12.763 -4.216 0.283 201 1HA GLY 29 2HA GLY 29 12.579 -3.240 3.049 202 2HA GLY 29 1HA GLY 29 12.473 -2.085 1.727 203 H PHE 30 H PHE 30 10.438 -2.648 3.712 204 HA PHE 30 HA PHE 30 8.304 -3.431 1.856 205 1HB PHE 30 2HB PHE 30 8.416 -4.413 4.713 206 2HB PHE 30 1HB PHE 30 7.223 -4.834 3.488 207 HD1 PHE 30 HD1 PHE 30 7.442 -6.879 2.488 208 HD2 PHE 30 HD2 PHE 30 10.932 -4.918 3.932 209 HE1 PHE 30 HE1 PHE 30 8.801 -8.824 1.836 210 HE2 PHE 30 HE2 PHE 30 12.298 -6.856 3.278 211 HZ PHE 30 HZ PHE 30 11.232 -8.813 2.229 212 H ILE 31 H ILE 31 6.544 -2.149 1.933 213 HA ILE 31 HA ILE 31 6.513 -0.068 4.009 214 HB ILE 31 HB ILE 31 5.454 -0.118 1.199 215 1HG1 ILE 31 2HG1 ILE 31 7.192 1.870 2.670 216 2HG1 ILE 31 1HG1 ILE 31 7.811 0.570 1.651 217 1HG2 ILE 31 1HG2 ILE 31 4.884 2.385 2.337 218 2HG2 ILE 31 2HG2 ILE 31 4.243 1.174 3.448 219 3HG2 ILE 31 3HG2 ILE 31 3.741 1.175 1.757 220 1HD1 ILE 31 1HD1 ILE 31 6.557 1.564 -0.253 221 2HD1 ILE 31 2HD1 ILE 31 7.831 2.597 0.396 222 3HD1 ILE 31 3HD1 ILE 31 6.142 2.919 0.795 223 HA PRO 32 HA PRO 32 2.878 -2.154 5.577 224 1HB PRO 32 2HB PRO 32 2.501 -0.503 7.690 225 2HB PRO 32 1HB PRO 32 3.739 -1.763 7.675 226 1HG PRO 32 2HG PRO 32 4.016 1.172 7.186 227 2HG PRO 32 1HG PRO 32 5.076 0.083 8.097 228 1HD PRO 32 2HD PRO 32 5.601 0.902 5.549 229 2HD PRO 32 1HD PRO 32 6.153 -0.650 6.207 230 H GLY 33 H GLY 33 0.630 -1.652 5.765 231 1HA GLY 33 2HA GLY 33 -0.461 -0.047 3.841 232 2HA GLY 33 1HA GLY 33 -1.313 -0.487 5.313 233 H SER 34 H SER 34 0.603 0.978 7.023 234 HA SER 34 HA SER 34 -0.739 3.405 7.230 235 1HB SER 34 2HB SER 34 0.697 2.361 9.013 236 2HB SER 34 1HB SER 34 2.113 2.918 8.120 237 HG SER 34 HG SER 34 1.802 4.600 9.387 238 H ALA 35 H ALA 35 2.541 2.874 5.857 239 HA ALA 35 HA ALA 35 2.877 5.529 4.988 240 1HB ALA 35 1HB ALA 35 4.896 4.526 4.931 241 2HB ALA 35 2HB ALA 35 4.443 4.164 3.266 242 3HB ALA 35 3HB ALA 35 4.221 2.949 4.525 243 H ALA 36 H ALA 36 1.739 2.632 3.268 244 HA ALA 36 HA ALA 36 1.378 3.789 0.752 245 1HB ALA 36 1HB ALA 36 -0.642 1.800 1.519 246 2HB ALA 36 2HB ALA 36 1.029 1.306 1.791 247 3HB ALA 36 3HB ALA 36 0.508 1.796 0.180 248 H LYS 37 H LYS 37 -0.991 3.392 3.392 249 HA LYS 37 HA LYS 37 -3.150 4.630 2.144 250 1HB LYS 37 2HB LYS 37 -2.524 3.641 4.725 251 2HB LYS 37 1HB LYS 37 -3.145 5.269 4.936 252 1HG LYS 37 2HG LYS 37 -4.965 3.747 5.107 253 2HG LYS 37 1HG LYS 37 -5.130 4.624 3.587 254 1HD LYS 37 2HD LYS 37 -4.228 2.727 2.364 255 2HD LYS 37 1HD LYS 37 -3.962 1.855 3.877 256 1HE LYS 37 2HE LYS 37 -6.378 1.896 4.315 257 2HE LYS 37 1HE LYS 37 -6.637 2.746 2.794 258 1HZ LYS 37 1HZ LYS 37 -5.151 0.284 2.534 259 2HZ LYS 37 2HZ LYS 37 -6.459 0.860 1.628 260 3HZ LYS 37 3HZ LYS 37 -6.732 0.074 3.100 261 H GLU 38 H GLU 38 -0.839 6.091 4.464 262 HA GLU 38 HA GLU 38 -1.792 8.704 4.283 263 1HB GLU 38 2HB GLU 38 0.555 7.353 5.323 264 2HB GLU 38 1HB GLU 38 0.962 8.928 4.663 265 1HG GLU 38 2HG GLU 38 0.486 9.075 7.033 266 2HG GLU 38 1HG GLU 38 -0.705 9.975 6.098 267 H PHE 39 H PHE 39 0.814 7.126 2.444 268 HA PHE 39 HA PHE 39 1.614 9.294 0.897 269 1HB PHE 39 2HB PHE 39 2.228 6.614 1.050 270 2HB PHE 39 1HB PHE 39 1.509 6.743 -0.540 271 HD1 PHE 39 HD1 PHE 39 3.797 8.903 1.459 272 HD2 PHE 39 HD2 PHE 39 3.075 6.844 -2.195 273 HE1 PHE 39 HE1 PHE 39 5.920 9.765 0.560 274 HE2 PHE 39 HE2 PHE 39 5.197 7.701 -3.101 275 HZ PHE 39 HZ PHE 39 6.622 9.162 -1.722 276 H PHE 40 H PHE 40 -0.758 6.767 0.136 277 HA PHE 40 HA PHE 40 -1.628 7.883 -2.299 278 1HB PHE 40 2HB PHE 40 -2.877 5.912 -0.399 279 2HB PHE 40 1HB PHE 40 -3.662 6.396 -1.897 280 HD1 PHE 40 HD1 PHE 40 -1.666 6.489 -3.876 281 HD2 PHE 40 HD2 PHE 40 -1.980 3.805 -0.588 282 HE1 PHE 40 HE1 PHE 40 -0.348 4.823 -5.117 283 HE2 PHE 40 HE2 PHE 40 -0.662 2.133 -1.824 284 HZ PHE 40 HZ PHE 40 0.155 2.643 -4.091 285 H THR 41 H THR 41 -2.667 8.430 1.016 286 HA THR 41 HA THR 41 -5.127 9.539 0.811 287 HB THR 41 HB THR 41 -2.837 10.731 2.391 288 HG1 THR 41 HG1 THR 41 -4.760 8.719 2.992 289 1HG2 THR 41 1HG2 THR 41 -5.582 11.555 2.091 290 2HG2 THR 41 2HG2 THR 41 -4.280 12.316 3.005 291 3HG2 THR 41 3HG2 THR 41 -5.263 11.059 3.754 292 H LYS 42 H LYS 42 -2.096 11.216 -0.018 293 HA LYS 42 HA LYS 42 -3.140 13.737 -0.504 294 1HB LYS 42 2HB LYS 42 -0.910 12.385 -2.025 295 2HB LYS 42 1HB LYS 42 -1.226 14.113 -1.987 296 1HG LYS 42 2HG LYS 42 -0.959 13.878 0.569 297 2HG LYS 42 1HG LYS 42 -0.187 12.341 0.182 298 1HD LYS 42 2HD LYS 42 1.540 13.965 0.356 299 2HD LYS 42 1HD LYS 42 1.340 13.604 -1.359 300 1HE LYS 42 2HE LYS 42 0.251 16.000 0.116 301 2HE LYS 42 1HE LYS 42 1.598 15.993 -1.020 302 1HZ LYS 42 1HZ LYS 42 -0.139 16.700 -2.320 303 2HZ LYS 42 2HZ LYS 42 -1.279 15.711 -1.557 304 3HZ LYS 42 3HZ LYS 42 -0.162 15.038 -2.633 305 H SER 43 H SER 43 -3.315 10.873 -2.511 306 HA SER 43 HA SER 43 -4.094 12.163 -4.913 307 1HB SER 43 2HB SER 43 -3.292 9.822 -4.832 308 2HB SER 43 1HB SER 43 -4.778 9.358 -4.002 309 HG SER 43 HG SER 43 -5.858 10.333 -5.917 310 H LYS 44 H LYS 44 -5.643 12.097 -2.020 311 HA LYS 44 HA LYS 44 -7.750 12.546 -1.301 312 1HB LYS 44 2HB LYS 44 -7.215 14.397 -3.049 313 2HB LYS 44 1HB LYS 44 -8.404 13.564 -4.041 314 1HG LYS 44 2HG LYS 44 -10.112 13.923 -2.392 315 2HG LYS 44 1HG LYS 44 -8.935 14.616 -1.273 316 1HD LYS 44 2HD LYS 44 -8.479 16.375 -3.009 317 2HD LYS 44 1HD LYS 44 -9.862 15.747 -3.905 318 1HE LYS 44 2HE LYS 44 -10.483 17.677 -2.539 319 2HE LYS 44 1HE LYS 44 -11.319 16.217 -2.013 320 1HZ LYS 44 1HZ LYS 44 -10.001 16.052 -0.121 321 2HZ LYS 44 2HZ LYS 44 -10.294 17.714 -0.240 322 3HZ LYS 44 3HZ LYS 44 -8.803 17.082 -0.730 323 H LEU 45 H LEU 45 -7.257 9.953 -2.699 324 HA LEU 45 HA LEU 45 -9.827 9.335 -3.912 325 1HB LEU 45 2HB LEU 45 -7.185 8.196 -3.962 326 2HB LEU 45 1HB LEU 45 -8.359 6.970 -3.522 327 HG LEU 45 HG LEU 45 -9.626 7.415 -5.561 328 1HD1 LEU 45 1HD1 LEU 45 -8.067 8.878 -7.222 329 2HD1 LEU 45 2HD1 LEU 45 -7.815 9.721 -5.693 330 3HD1 LEU 45 3HD1 LEU 45 -9.448 9.516 -6.329 331 1HD2 LEU 45 1HD2 LEU 45 -8.053 6.492 -7.139 332 2HD2 LEU 45 2HD2 LEU 45 -7.793 5.762 -5.556 333 3HD2 LEU 45 3HD2 LEU 45 -6.697 7.013 -6.140 334 HA PRO 46 HA PRO 46 -11.680 7.905 -0.157 335 1HB PRO 46 2HB PRO 46 -13.543 6.226 -1.205 336 2HB PRO 46 1HB PRO 46 -13.694 7.987 -1.246 337 1HG PRO 46 2HG PRO 46 -12.740 6.121 -3.388 338 2HG PRO 46 1HG PRO 46 -13.848 7.500 -3.518 339 1HD PRO 46 2HD PRO 46 -11.254 7.685 -4.223 340 2HD PRO 46 1HD PRO 46 -12.128 9.047 -3.490 341 H ILE 47 H ILE 47 -11.720 6.136 1.211 342 HA ILE 47 HA ILE 47 -9.688 4.273 1.096 343 HB ILE 47 HB ILE 47 -12.340 3.891 2.510 344 1HG1 ILE 47 2HG1 ILE 47 -11.085 4.809 4.490 345 2HG1 ILE 47 1HG1 ILE 47 -9.788 5.261 3.391 346 1HG2 ILE 47 1HG2 ILE 47 -9.762 2.442 2.527 347 2HG2 ILE 47 2HG2 ILE 47 -11.402 1.846 2.785 348 3HG2 ILE 47 3HG2 ILE 47 -10.553 2.683 4.085 349 1HD1 ILE 47 1HD1 ILE 47 -11.389 7.088 4.037 350 2HD1 ILE 47 2HD1 ILE 47 -12.607 6.248 3.077 351 3HD1 ILE 47 3HD1 ILE 47 -11.144 6.859 2.306 352 H LEU 48 H LEU 48 -12.876 4.121 -0.318 353 HA LEU 48 HA LEU 48 -13.178 1.404 -0.777 354 1HB LEU 48 2HB LEU 48 -14.880 3.087 -1.333 355 2HB LEU 48 1HB LEU 48 -13.867 3.691 -2.629 356 HG LEU 48 HG LEU 48 -14.044 1.404 -3.690 357 1HD1 LEU 48 1HD1 LEU 48 -15.360 0.845 -1.233 358 2HD1 LEU 48 2HD1 LEU 48 -15.003 -0.249 -2.570 359 3HD1 LEU 48 3HD1 LEU 48 -16.520 0.650 -2.547 360 1HD2 LEU 48 1HD2 LEU 48 -16.258 3.363 -3.376 361 2HD2 LEU 48 2HD2 LEU 48 -16.580 1.864 -4.246 362 3HD2 LEU 48 3HD2 LEU 48 -15.307 2.950 -4.802 363 H GLU 49 H GLU 49 -11.783 3.774 -3.046 364 HA GLU 49 HA GLU 49 -10.768 1.877 -4.850 365 1HB GLU 49 2HB GLU 49 -9.840 4.696 -4.281 366 2HB GLU 49 1HB GLU 49 -9.325 3.740 -5.662 367 1HG GLU 49 2HG GLU 49 -12.068 4.804 -5.071 368 2HG GLU 49 1HG GLU 49 -11.009 5.198 -6.425 369 H LEU 50 H LEU 50 -9.179 3.655 -2.232 370 HA LEU 50 HA LEU 50 -6.617 2.681 -2.516 371 1HB LEU 50 2HB LEU 50 -8.210 3.794 -0.308 372 2HB LEU 50 1HB LEU 50 -6.817 2.858 0.188 373 HG LEU 50 HG LEU 50 -5.892 4.556 -1.851 374 1HD1 LEU 50 1HD1 LEU 50 -8.204 5.683 -0.768 375 2HD1 LEU 50 2HD1 LEU 50 -6.986 6.480 -1.763 376 3HD1 LEU 50 3HD1 LEU 50 -6.859 6.530 -0.004 377 1HD2 LEU 50 1HD2 LEU 50 -5.145 5.712 0.552 378 2HD2 LEU 50 2HD2 LEU 50 -4.281 4.445 -0.317 379 3HD2 LEU 50 3HD2 LEU 50 -5.422 4.018 0.958 380 H SER 51 H SER 51 -9.270 1.203 -0.656 381 HA SER 51 HA SER 51 -7.860 -0.941 0.418 382 1HB SER 51 2HB SER 51 -10.733 -0.916 -0.550 383 2HB SER 51 1HB SER 51 -10.030 -2.122 0.529 384 HG SER 51 HG SER 51 -10.651 0.572 1.020 385 H HIS 52 H HIS 52 -9.642 -0.790 -2.657 386 HA HIS 52 HA HIS 52 -9.075 -3.363 -3.560 387 1HB HIS 52 2HB HIS 52 -10.688 -1.713 -4.566 388 2HB HIS 52 1HB HIS 52 -9.307 -0.900 -5.294 389 HD1 HIS 52 HD1 HIS 52 -10.495 -4.538 -5.205 390 HD2 HIS 52 HD2 HIS 52 -9.061 -1.663 -7.834 391 HE1 HIS 52 HE1 HIS 52 -10.444 -5.626 -7.487 392 H ILE 53 H ILE 53 -7.245 -0.348 -3.987 393 HA ILE 53 HA ILE 53 -5.229 -1.355 -5.659 394 HB ILE 53 HB ILE 53 -4.943 0.795 -3.551 395 1HG1 ILE 53 2HG1 ILE 53 -5.669 1.019 -6.479 396 2HG1 ILE 53 1HG1 ILE 53 -6.790 1.219 -5.136 397 1HG2 ILE 53 1HG2 ILE 53 -3.219 -0.150 -5.790 398 2HG2 ILE 53 2HG2 ILE 53 -2.773 0.368 -4.165 399 3HG2 ILE 53 3HG2 ILE 53 -3.225 1.565 -5.379 400 1HD1 ILE 53 1HD1 ILE 53 -4.516 2.936 -4.806 401 2HD1 ILE 53 2HD1 ILE 53 -6.229 3.344 -4.915 402 3HD1 ILE 53 3HD1 ILE 53 -5.264 3.185 -6.384 403 H TRP 54 H TRP 54 -5.165 -0.964 -2.084 404 HA TRP 54 HA TRP 54 -2.671 -2.171 -1.715 405 1HB TRP 54 2HB TRP 54 -3.794 -1.023 0.136 406 2HB TRP 54 1HB TRP 54 -5.040 -2.272 0.168 407 HD1 TRP 54 HD1 TRP 54 -4.301 -4.721 1.054 408 HE1 TRP 54 HE1 TRP 54 -2.354 -5.466 2.571 409 HE3 TRP 54 HE3 TRP 54 -1.422 -0.502 0.827 410 HZ2 TRP 54 HZ2 TRP 54 0.055 -4.401 3.555 411 HZ3 TRP 54 HZ3 TRP 54 0.688 -0.449 2.091 412 HH2 TRP 54 HH2 TRP 54 1.412 -2.358 3.428 413 H GLU 55 H GLU 55 -5.916 -3.636 -1.629 414 HA GLU 55 HA GLU 55 -5.177 -6.258 -1.101 415 1HB GLU 55 2HB GLU 55 -7.388 -5.321 -2.932 416 2HB GLU 55 1HB GLU 55 -7.253 -6.927 -2.229 417 1HG GLU 55 2HG GLU 55 -7.440 -5.946 0.007 418 2HG GLU 55 1HG GLU 55 -7.628 -4.354 -0.724 419 H LEU 56 H LEU 56 -5.656 -4.768 -4.323 420 HA LEU 56 HA LEU 56 -4.731 -7.014 -5.747 421 1HB LEU 56 2HB LEU 56 -5.125 -4.131 -6.371 422 2HB LEU 56 1HB LEU 56 -4.132 -5.065 -7.472 423 HG LEU 56 HG LEU 56 -6.482 -4.949 -8.204 424 1HD1 LEU 56 1HD1 LEU 56 -5.613 -6.838 -9.118 425 2HD1 LEU 56 2HD1 LEU 56 -6.809 -7.593 -8.065 426 3HD1 LEU 56 3HD1 LEU 56 -5.123 -7.500 -7.559 427 1HD2 LEU 56 1HD2 LEU 56 -7.395 -6.789 -6.096 428 2HD2 LEU 56 2HD2 LEU 56 -8.246 -5.477 -6.907 429 3HD2 LEU 56 3HD2 LEU 56 -7.129 -5.121 -5.592 430 H SER 57 H SER 57 -3.091 -4.378 -4.166 431 HA SER 57 HA SER 57 -0.517 -4.921 -5.324 432 1HB SER 57 2HB SER 57 -1.524 -3.107 -3.160 433 2HB SER 57 1HB SER 57 0.206 -3.398 -3.322 434 HG SER 57 HG SER 57 0.244 -2.244 -5.092 435 H ASP 58 H ASP 58 -2.249 -5.990 -2.473 436 HA ASP 58 HA ASP 58 0.193 -7.207 -1.411 437 1HB ASP 58 2HB ASP 58 -1.634 -5.887 -0.018 438 2HB ASP 58 1HB ASP 58 -2.431 -7.461 -0.004 439 H PHE 59 H PHE 59 -0.095 -8.556 -3.501 440 HA PHE 59 HA PHE 59 -2.018 -10.559 -3.738 441 1HB PHE 59 2HB PHE 59 0.385 -9.861 -5.045 442 2HB PHE 59 1HB PHE 59 0.504 -11.570 -4.634 443 HD1 PHE 59 HD1 PHE 59 -0.397 -13.118 -6.055 444 HD2 PHE 59 HD2 PHE 59 -1.891 -9.136 -6.115 445 HE1 PHE 59 HE1 PHE 59 -1.836 -13.694 -7.966 446 HE2 PHE 59 HE2 PHE 59 -3.335 -9.702 -8.026 447 HZ PHE 59 HZ PHE 59 -3.310 -11.984 -8.953 448 H ASP 60 H ASP 60 0.372 -10.286 -1.356 449 HA ASP 60 HA ASP 60 0.488 -13.170 -0.897 450 1HB ASP 60 2HB ASP 60 2.187 -12.575 0.816 451 2HB ASP 60 1HB ASP 60 2.600 -11.999 -0.798 452 H LYS 61 H LYS 61 -0.721 -10.213 0.596 453 HA LYS 61 HA LYS 61 -2.478 -9.996 2.064 454 1HB LYS 61 2HB LYS 61 -2.313 -13.005 2.178 455 2HB LYS 61 1HB LYS 61 -3.462 -12.066 3.106 456 1HG LYS 61 2HG LYS 61 -3.251 -12.084 0.110 457 2HG LYS 61 1HG LYS 61 -4.447 -12.966 1.063 458 1HD LYS 61 2HD LYS 61 -4.095 -9.970 1.034 459 2HD LYS 61 1HD LYS 61 -5.345 -10.862 0.161 460 1HE LYS 61 2HE LYS 61 -6.246 -9.957 2.225 461 2HE LYS 61 1HE LYS 61 -6.212 -11.717 2.293 462 1HZ LYS 61 1HZ LYS 61 -4.487 -11.710 3.815 463 2HZ LYS 61 2HZ LYS 61 -5.407 -10.387 4.317 464 3HZ LYS 61 3HZ LYS 61 -3.990 -10.137 3.430 465 H ASP 62 H ASP 62 0.190 -9.613 2.774 466 HA ASP 62 HA ASP 62 0.455 -10.794 5.448 467 1HB ASP 62 2HB ASP 62 2.698 -9.588 5.376 468 2HB ASP 62 1HB ASP 62 2.474 -10.883 4.201 469 H GLY 63 H GLY 63 0.127 -7.628 3.884 470 1HA GLY 63 2HA GLY 63 -1.210 -5.946 5.121 471 2HA GLY 63 1HA GLY 63 -0.352 -6.461 6.572 472 H ALA 64 H ALA 64 1.803 -6.686 4.210 473 HA ALA 64 HA ALA 64 2.723 -3.901 4.334 474 1HB ALA 64 1HB ALA 64 4.951 -5.706 4.259 475 2HB ALA 64 2HB ALA 64 3.925 -6.086 5.643 476 3HB ALA 64 3HB ALA 64 4.571 -4.457 5.444 477 H LEU 65 H LEU 65 3.696 -3.152 2.483 478 HA LEU 65 HA LEU 65 3.405 -4.841 0.114 479 1HB LEU 65 2HB LEU 65 3.248 -1.964 0.697 480 2HB LEU 65 1HB LEU 65 4.055 -2.360 -0.808 481 HG LEU 65 HG LEU 65 2.108 -3.437 -1.664 482 1HD1 LEU 65 1HD1 LEU 65 1.410 -3.677 1.117 483 2HD1 LEU 65 2HD1 LEU 65 0.790 -4.555 -0.282 484 3HD1 LEU 65 3HD1 LEU 65 0.077 -3.008 0.174 485 1HD2 LEU 65 1HD2 LEU 65 0.695 -1.606 -1.929 486 2HD2 LEU 65 2HD2 LEU 65 2.266 -0.888 -1.567 487 3HD2 LEU 65 3HD2 LEU 65 1.033 -0.996 -0.309 488 H THR 66 H THR 66 5.143 -5.806 -0.694 489 HA THR 66 HA THR 66 7.816 -4.978 0.030 490 HB THR 66 HB THR 66 8.599 -6.887 -1.037 491 HG1 THR 66 HG1 THR 66 6.579 -7.711 -2.605 492 1HG2 THR 66 1HG2 THR 66 6.037 -8.227 -0.863 493 2HG2 THR 66 2HG2 THR 66 6.307 -7.164 0.519 494 3HG2 THR 66 3HG2 THR 66 7.478 -8.426 0.136 495 H LEU 67 H LEU 67 9.441 -4.422 -1.690 496 HA LEU 67 HA LEU 67 8.824 -2.194 -3.081 497 1HB LEU 67 2HB LEU 67 11.095 -3.130 -2.838 498 2HB LEU 67 1HB LEU 67 10.712 -4.364 -4.020 499 HG LEU 67 HG LEU 67 12.096 -2.585 -4.971 500 1HD1 LEU 67 1HD1 LEU 67 11.095 -2.760 -6.959 501 2HD1 LEU 67 2HD1 LEU 67 9.596 -2.031 -6.379 502 3HD1 LEU 67 3HD1 LEU 67 9.910 -3.744 -6.099 503 1HD2 LEU 67 1HD2 LEU 67 10.998 -0.820 -3.439 504 2HD2 LEU 67 2HD2 LEU 67 9.796 -0.687 -4.722 505 3HD2 LEU 67 3HD2 LEU 67 11.493 -0.350 -5.063 506 H ASP 68 H ASP 68 8.171 -5.516 -4.146 507 HA ASP 68 HA ASP 68 7.384 -4.818 -6.778 508 1HB ASP 68 2HB ASP 68 7.602 -7.184 -5.234 509 2HB ASP 68 1HB ASP 68 5.956 -7.111 -5.846 510 H GLU 69 H GLU 69 5.603 -5.253 -3.741 511 HA GLU 69 HA GLU 69 3.045 -4.621 -4.846 512 1HB GLU 69 2HB GLU 69 3.926 -4.288 -1.964 513 2HB GLU 69 1HB GLU 69 2.281 -4.465 -2.556 514 1HG GLU 69 2HG GLU 69 2.647 -6.747 -3.127 515 2HG GLU 69 1HG GLU 69 4.376 -6.600 -2.823 516 H PHE 70 H PHE 70 5.459 -2.823 -3.003 517 HA PHE 70 HA PHE 70 4.319 -0.325 -2.807 518 1HB PHE 70 2HB PHE 70 6.389 -0.799 -1.676 519 2HB PHE 70 1HB PHE 70 7.190 -1.184 -3.186 520 HD1 PHE 70 HD1 PHE 70 8.979 0.300 -3.169 521 HD2 PHE 70 HD2 PHE 70 5.034 1.761 -2.507 522 HE1 PHE 70 HE1 PHE 70 9.798 2.603 -3.403 523 HE2 PHE 70 HE2 PHE 70 5.853 4.072 -2.734 524 HZ PHE 70 HZ PHE 70 8.241 4.499 -3.205 525 H CYS 71 H CYS 71 6.521 -1.449 -5.388 526 HA CYS 71 HA CYS 71 6.272 0.872 -6.977 527 1HB CYS 71 2HB CYS 71 7.672 -1.607 -7.101 528 2HB CYS 71 1HB CYS 71 6.864 -1.360 -8.643 529 HG CYS 71 HG CYS 71 8.159 0.879 -9.372 530 H ALA 72 H ALA 72 4.736 -2.339 -7.322 531 HA ALA 72 HA ALA 72 3.260 -1.757 -9.618 532 1HB ALA 72 1HB ALA 72 3.510 -3.927 -7.924 533 2HB ALA 72 2HB ALA 72 2.534 -3.842 -9.388 534 3HB ALA 72 3HB ALA 72 1.802 -3.497 -7.822 535 H ALA 73 H ALA 73 2.588 -0.971 -6.266 536 HA ALA 73 HA ALA 73 -0.117 -0.417 -6.362 537 1HB ALA 73 1HB ALA 73 0.146 0.672 -4.368 538 2HB ALA 73 2HB ALA 73 1.647 1.455 -4.864 539 3HB ALA 73 3HB ALA 73 1.646 -0.254 -4.424 540 H PHE 74 H PHE 74 2.544 1.829 -7.151 541 HA PHE 74 HA PHE 74 0.950 4.063 -7.707 542 1HB PHE 74 2HB PHE 74 3.520 3.843 -7.439 543 2HB PHE 74 1HB PHE 74 3.518 3.524 -9.170 544 HD1 PHE 74 HD1 PHE 74 5.094 5.682 -8.522 545 HD2 PHE 74 HD2 PHE 74 0.848 5.612 -8.806 546 HE1 PHE 74 HE1 PHE 74 5.086 8.105 -8.947 547 HE2 PHE 74 HE2 PHE 74 0.833 8.034 -9.232 548 HZ PHE 74 HZ PHE 74 2.953 9.284 -9.302 549 H HIS 75 H HIS 75 2.182 1.574 -9.934 550 HA HIS 75 HA HIS 75 1.287 2.628 -12.337 551 1HB HIS 75 2HB HIS 75 2.489 0.302 -11.471 552 2HB HIS 75 1HB HIS 75 0.963 -0.261 -12.121 553 HD1 HIS 75 HD1 HIS 75 0.511 0.987 -14.677 554 HD2 HIS 75 HD2 HIS 75 4.386 0.317 -13.346 555 HE1 HIS 75 HE1 HIS 75 1.982 1.027 -16.731 556 H LEU 76 H LEU 76 -0.383 0.231 -10.292 557 HA LEU 76 HA LEU 76 -2.740 0.081 -11.768 558 1HB LEU 76 2HB LEU 76 -1.899 -1.315 -9.767 559 2HB LEU 76 1HB LEU 76 -2.670 -0.094 -8.776 560 HG LEU 76 HG LEU 76 -4.046 -1.829 -10.810 561 1HD1 LEU 76 1HD1 LEU 76 -5.117 -2.280 -8.285 562 2HD1 LEU 76 2HD1 LEU 76 -3.372 -2.227 -8.030 563 3HD1 LEU 76 3HD1 LEU 76 -4.060 -3.359 -9.195 564 1HD2 LEU 76 1HD2 LEU 76 -4.821 0.655 -9.703 565 2HD2 LEU 76 2HD2 LEU 76 -5.825 -0.592 -8.964 566 3HD2 LEU 76 3HD2 LEU 76 -5.766 -0.431 -10.720 567 H VAL 77 H VAL 77 -2.015 2.115 -8.923 568 HA VAL 77 HA VAL 77 -4.414 3.467 -8.704 569 HB VAL 77 HB VAL 77 -1.636 4.563 -8.252 570 1HG1 VAL 77 1HG1 VAL 77 -4.256 5.808 -8.059 571 2HG1 VAL 77 2HG1 VAL 77 -2.651 6.537 -8.005 572 3HG1 VAL 77 3HG1 VAL 77 -3.364 5.866 -6.539 573 1HG2 VAL 77 1HG2 VAL 77 -1.862 2.762 -6.802 574 2HG2 VAL 77 2HG2 VAL 77 -3.579 3.053 -6.548 575 3HG2 VAL 77 3HG2 VAL 77 -2.386 4.127 -5.820 576 H VAL 78 H VAL 78 -1.600 4.378 -10.666 577 HA VAL 78 HA VAL 78 -2.464 6.744 -11.750 578 HB VAL 78 HB VAL 78 -0.925 4.495 -13.034 579 1HG1 VAL 78 1HG1 VAL 78 -0.252 6.892 -14.304 580 2HG1 VAL 78 2HG1 VAL 78 -2.015 6.860 -14.261 581 3HG1 VAL 78 3HG1 VAL 78 -1.125 5.524 -14.993 582 1HG2 VAL 78 1HG2 VAL 78 -0.041 5.730 -10.994 583 2HG2 VAL 78 2HG2 VAL 78 0.110 7.136 -12.048 584 3HG2 VAL 78 3HG2 VAL 78 1.014 5.665 -12.406 585 H ALA 79 H ALA 79 -3.003 3.521 -13.159 586 HA ALA 79 HA ALA 79 -4.704 4.417 -15.233 587 1HB ALA 79 1HB ALA 79 -4.008 1.766 -14.050 588 2HB ALA 79 2HB ALA 79 -3.729 2.382 -15.680 589 3HB ALA 79 3HB ALA 79 -5.349 1.884 -15.194 590 H ARG 80 H ARG 80 -5.349 3.067 -12.031 591 HA ARG 80 HA ARG 80 -8.155 2.912 -12.319 592 1HB ARG 80 2HB ARG 80 -6.479 1.963 -10.496 593 2HB ARG 80 1HB ARG 80 -6.953 3.432 -9.644 594 1HG ARG 80 2HG ARG 80 -9.320 2.784 -9.947 595 2HG ARG 80 1HG ARG 80 -8.771 1.273 -10.661 596 1HD ARG 80 2HD ARG 80 -7.715 0.617 -8.601 597 2HD ARG 80 1HD ARG 80 -8.092 2.182 -7.867 598 HE ARG 80 HE ARG 80 -10.201 1.405 -7.432 599 1HH1 ARG 80 2HH1 ARG 80 -8.728 -0.548 -9.877 600 2HH1 ARG 80 1HH1 ARG 80 -10.076 -1.621 -10.021 601 1HH2 ARG 80 1HH2 ARG 80 -12.015 0.121 -7.696 602 2HH2 ARG 80 2HH2 ARG 80 -11.959 -1.231 -8.781 603 H LYS 81 H LYS 81 -6.010 5.487 -11.358 604 HA LYS 81 HA LYS 81 -7.713 7.258 -10.097 605 1HB LYS 81 2HB LYS 81 -5.233 7.478 -10.347 606 2HB LYS 81 1HB LYS 81 -5.494 8.006 -12.003 607 1HG LYS 81 2HG LYS 81 -6.642 9.968 -11.273 608 2HG LYS 81 1HG LYS 81 -6.641 9.403 -9.600 609 1HD LYS 81 2HD LYS 81 -4.178 9.499 -9.592 610 2HD LYS 81 1HD LYS 81 -4.211 10.119 -11.243 611 1HE LYS 81 2HE LYS 81 -5.320 12.116 -10.547 612 2HE LYS 81 1HE LYS 81 -5.576 11.475 -8.925 613 1HZ LYS 81 1HZ LYS 81 -2.873 11.324 -9.312 614 2HZ LYS 81 2HZ LYS 81 -3.687 12.485 -8.390 615 3HZ LYS 81 3HZ LYS 81 -3.297 12.811 -10.003 616 H ASN 82 H ASN 82 -7.643 6.368 -13.428 617 HA ASN 82 HA ASN 82 -10.067 7.510 -14.086 618 1HB ASN 82 2HB ASN 82 -7.818 9.401 -14.270 619 2HB ASN 82 1HB ASN 82 -8.857 9.333 -15.692 620 1HD2 ASN 82 1HD2 ASN 82 -8.420 10.813 -12.791 621 2HD2 ASN 82 2HD2 ASN 82 -10.026 11.377 -12.525 622 H GLY 83 H GLY 83 -8.911 5.124 -14.699 623 1HA GLY 83 2HA GLY 83 -8.556 5.357 -17.625 624 2HA GLY 83 1HA GLY 83 -7.627 4.217 -16.662 625 H TYR 84 H TYR 84 -8.407 2.427 -17.823 626 HA TYR 84 HA TYR 84 -11.263 1.926 -17.885 627 1HB TYR 84 2HB TYR 84 -8.902 0.842 -19.230 628 2HB TYR 84 1HB TYR 84 -10.059 -0.397 -18.756 629 HD1 TYR 84 HD1 TYR 84 -10.995 -1.042 -20.810 630 HD2 TYR 84 HD2 TYR 84 -10.769 3.095 -19.830 631 HE1 TYR 84 HE1 TYR 84 -12.401 -0.508 -22.756 632 HE2 TYR 84 HE2 TYR 84 -12.173 3.637 -21.775 633 HH TYR 84 HH TYR 84 -13.868 2.486 -23.202 634 H ASP 85 H ASP 85 -12.334 0.276 -16.805 635 HA ASP 85 HA ASP 85 -11.761 -0.205 -14.195 636 1HB ASP 85 2HB ASP 85 -13.924 -0.711 -15.229 637 2HB ASP 85 1HB ASP 85 -13.213 -2.095 -16.055 638 H LEU 86 H LEU 86 -11.012 -2.017 -13.019 639 HA LEU 86 HA LEU 86 -8.829 -3.426 -14.391 640 1HB LEU 86 2HB LEU 86 -9.240 -2.716 -11.490 641 2HB LEU 86 1HB LEU 86 -7.913 -3.701 -12.077 642 HG LEU 86 HG LEU 86 -7.187 -1.409 -11.701 643 1HD1 LEU 86 1HD1 LEU 86 -7.238 -1.499 -14.653 644 2HD1 LEU 86 2HD1 LEU 86 -6.590 -2.918 -13.830 645 3HD1 LEU 86 3HD1 LEU 86 -5.878 -1.329 -13.544 646 1HD2 LEU 86 1HD2 LEU 86 -9.584 -0.546 -12.293 647 2HD2 LEU 86 2HD2 LEU 86 -8.924 -0.437 -13.925 648 3HD2 LEU 86 3HD2 LEU 86 -8.173 0.465 -12.609 649 HA PRO 87 HA PRO 87 -11.258 -7.117 -13.768 650 1HB PRO 87 2HB PRO 87 -9.354 -8.906 -14.522 651 2HB PRO 87 1HB PRO 87 -10.293 -7.958 -15.681 652 1HG PRO 87 2HG PRO 87 -7.525 -7.480 -14.646 653 2HG PRO 87 1HG PRO 87 -8.136 -7.343 -16.305 654 1HD PRO 87 2HD PRO 87 -7.767 -5.187 -14.713 655 2HD PRO 87 1HD PRO 87 -9.065 -5.261 -15.922 656 H GLU 88 H GLU 88 -11.594 -7.718 -11.692 657 HA GLU 88 HA GLU 88 -9.599 -7.713 -9.715 658 1HB GLU 88 2HB GLU 88 -11.201 -8.827 -8.268 659 2HB GLU 88 1HB GLU 88 -11.986 -7.540 -9.170 660 1HG GLU 88 2HG GLU 88 -12.083 -10.366 -10.141 661 2HG GLU 88 1HG GLU 88 -13.188 -9.796 -8.892 662 H LYS 89 H LYS 89 -8.277 -9.231 -8.911 663 HA LYS 89 HA LYS 89 -8.470 -11.963 -9.944 664 1HB LYS 89 2HB LYS 89 -5.944 -10.293 -9.990 665 2HB LYS 89 1HB LYS 89 -6.060 -11.992 -10.439 666 1HG LYS 89 2HG LYS 89 -6.706 -11.479 -12.498 667 2HG LYS 89 1HG LYS 89 -7.982 -10.420 -11.897 668 1HD LYS 89 2HD LYS 89 -6.447 -9.167 -13.289 669 2HD LYS 89 1HD LYS 89 -6.324 -8.622 -11.614 670 1HE LYS 89 2HE LYS 89 -4.120 -8.847 -12.653 671 2HE LYS 89 1HE LYS 89 -4.320 -9.970 -11.307 672 1HZ LYS 89 1HZ LYS 89 -4.524 -10.615 -14.198 673 2HZ LYS 89 2HZ LYS 89 -4.869 -11.704 -12.952 674 3HZ LYS 89 3HZ LYS 89 -3.301 -11.100 -13.136 675 H LEU 90 H LEU 90 -9.186 -10.917 -7.432 676 HA LEU 90 HA LEU 90 -7.107 -11.359 -5.527 677 1HB LEU 90 2HB LEU 90 -9.658 -10.228 -5.480 678 2HB LEU 90 1HB LEU 90 -9.774 -11.633 -4.436 679 HG LEU 90 HG LEU 90 -7.869 -10.815 -3.114 680 1HD1 LEU 90 1HD1 LEU 90 -6.996 -8.571 -3.476 681 2HD1 LEU 90 2HD1 LEU 90 -8.010 -8.397 -4.909 682 3HD1 LEU 90 3HD1 LEU 90 -6.713 -9.593 -4.885 683 1HD2 LEU 90 1HD2 LEU 90 -9.117 -9.401 -1.847 684 2HD2 LEU 90 2HD2 LEU 90 -10.393 -10.033 -2.889 685 3HD2 LEU 90 3HD2 LEU 90 -9.666 -8.462 -3.235 686 HA PRO 91 HA PRO 91 -7.222 -15.732 -5.247 687 1HB PRO 91 2HB PRO 91 -6.321 -16.081 -2.718 688 2HB PRO 91 1HB PRO 91 -5.283 -15.557 -4.051 689 1HG PRO 91 2HG PRO 91 -6.631 -13.905 -1.943 690 2HG PRO 91 1HG PRO 91 -4.959 -13.813 -2.532 691 1HD PRO 91 2HD PRO 91 -6.862 -12.108 -3.385 692 2HD PRO 91 1HD PRO 91 -5.570 -12.681 -4.459 693 H GLU 92 H GLU 92 -8.474 -14.298 -2.207 694 HA GLU 92 HA GLU 92 -10.341 -16.542 -2.061 695 1HB GLU 92 2HB GLU 92 -10.715 -15.845 0.279 696 2HB GLU 92 1HB GLU 92 -9.040 -16.235 -0.074 697 1HG GLU 92 2HG GLU 92 -8.752 -13.696 -0.408 698 2HG GLU 92 1HG GLU 92 -10.289 -13.568 0.448 699 H SER 93 H SER 93 -11.906 -14.681 -0.107 700 HA SER 93 HA SER 93 -13.428 -13.235 -2.168 701 1HB SER 93 2HB SER 93 -14.520 -15.403 -1.732 702 2HB SER 93 1HB SER 93 -14.642 -14.992 -0.024 703 HG SER 93 HG SER 93 -16.004 -13.878 -2.223 704 H LEU 94 H LEU 94 -11.977 -11.578 -1.000 705 HA LEU 94 HA LEU 94 -13.215 -10.624 1.478 706 1HB LEU 94 2HB LEU 94 -10.688 -9.696 0.114 707 2HB LEU 94 1HB LEU 94 -11.253 -9.195 1.697 708 HG LEU 94 HG LEU 94 -10.415 -12.000 0.951 709 1HD1 LEU 94 1HD1 LEU 94 -8.352 -11.575 1.735 710 2HD1 LEU 94 2HD1 LEU 94 -8.934 -10.472 2.981 711 3HD1 LEU 94 3HD1 LEU 94 -8.752 -9.909 1.320 712 1HD2 LEU 94 1HD2 LEU 94 -12.151 -11.956 2.672 713 2HD2 LEU 94 2HD2 LEU 94 -11.185 -10.826 3.621 714 3HD2 LEU 94 3HD2 LEU 94 -10.599 -12.465 3.337 715 H MET 95 H MET 95 -12.505 -9.588 -1.829 716 HA MET 95 HA MET 95 -13.397 -6.929 -1.634 717 1HB MET 95 2HB MET 95 -12.900 -8.865 -3.829 718 2HB MET 95 1HB MET 95 -13.904 -7.474 -4.212 719 1HG MET 95 2HG MET 95 -11.294 -7.060 -2.840 720 2HG MET 95 1HG MET 95 -11.327 -7.395 -4.570 721 1HE MET 95 1HE MET 95 -13.916 -6.257 -5.484 722 2HE MET 95 2HE MET 95 -12.567 -5.589 -6.406 723 3HE MET 95 3HE MET 95 -13.797 -4.515 -5.736 724 HA PRO 96 HA PRO 96 -17.695 -8.530 -3.047 725 1HB PRO 96 2HB PRO 96 -18.183 -11.160 -3.127 726 2HB PRO 96 1HB PRO 96 -17.338 -10.338 -4.444 727 1HG PRO 96 2HG PRO 96 -16.221 -11.998 -2.221 728 2HG PRO 96 1HG PRO 96 -15.770 -11.974 -3.934 729 1HD PRO 96 2HD PRO 96 -14.392 -10.660 -1.943 730 2HD PRO 96 1HD PRO 96 -14.362 -10.197 -3.656 731 H LYS 97 HN LYS 97 -19.614 -8.943 -1.839 732 HA LYS 97 HA LYS 97 -19.105 -9.511 0.995 733 1HB LYS 97 2HB LYS 97 -21.526 -8.262 -0.320 734 2HB LYS 97 1HB LYS 97 -21.322 -8.503 1.408 735 1HG LYS 97 2HG LYS 97 -20.851 -6.231 0.938 736 2HG LYS 97 1HG LYS 97 -19.315 -7.021 1.297 737 1HD LYS 97 2HD LYS 97 -18.819 -7.184 -1.075 738 2HD LYS 97 1HD LYS 97 -20.386 -6.480 -1.470 739 1HE LYS 97 2HE LYS 97 -19.738 -4.410 -0.326 740 2HE LYS 97 1HE LYS 97 -18.165 -5.116 0.048 741 1HZ LYS 97 1HZ LYS 97 -18.510 -3.602 -2.048 742 2HZ LYS 97 2HZ LYS 97 -19.023 -5.053 -2.752 743 3HZ LYS 97 3HZ LYS 97 -17.463 -4.934 -2.101 Start of MODEL 3 1 1H TRP 6 1H TRP 6 -2.814 -6.949 -17.492 2 2H TRP 6 2H TRP 6 -1.576 -7.521 -18.495 3 3H TRP 6 3H TRP 6 -2.889 -6.687 -19.163 4 HA TRP 6 HA TRP 6 -1.998 -4.705 -18.777 5 1HB TRP 6 2HB TRP 6 -1.434 -5.924 -16.087 6 2HB TRP 6 1HB TRP 6 -0.814 -4.329 -16.498 7 HD1 TRP 6 HD1 TRP 6 -4.344 -5.666 -17.366 8 HE1 TRP 6 HE1 TRP 6 -6.069 -4.109 -16.253 9 HE3 TRP 6 HE3 TRP 6 -1.144 -2.640 -14.789 10 HZ2 TRP 6 HZ2 TRP 6 -6.063 -1.889 -14.502 11 HZ3 TRP 6 HZ3 TRP 6 -2.070 -0.826 -13.425 12 HH2 TRP 6 HH2 TRP 6 -4.481 -0.454 -13.280 13 H LYS 7 H LYS 7 0.327 -3.764 -17.899 14 HA LYS 7 HA LYS 7 2.585 -5.421 -18.251 15 1HB LYS 7 2HB LYS 7 1.490 -4.090 -20.667 16 2HB LYS 7 1HB LYS 7 3.229 -3.994 -20.438 17 1HG LYS 7 2HG LYS 7 3.377 -6.418 -20.345 18 2HG LYS 7 1HG LYS 7 1.627 -6.545 -20.510 19 1HD LYS 7 2HD LYS 7 1.705 -5.601 -22.712 20 2HD LYS 7 1HD LYS 7 3.424 -5.239 -22.546 21 1HE LYS 7 2HE LYS 7 3.048 -7.238 -23.915 22 2HE LYS 7 1HE LYS 7 3.935 -7.610 -22.437 23 1HZ LYS 7 1HZ LYS 7 1.005 -7.982 -22.735 24 2HZ LYS 7 2HZ LYS 7 1.978 -8.514 -21.458 25 3HZ LYS 7 3HZ LYS 7 2.142 -9.212 -22.991 26 H ILE 8 H ILE 8 4.248 -4.454 -17.271 27 HA ILE 8 HA ILE 8 4.037 -1.589 -16.659 28 HB ILE 8 HB ILE 8 5.660 -3.782 -15.368 29 1HG1 ILE 8 2HG1 ILE 8 3.296 -2.177 -14.362 30 2HG1 ILE 8 1HG1 ILE 8 3.251 -3.859 -14.876 31 1HG2 ILE 8 1HG2 ILE 8 6.485 -2.194 -13.816 32 2HG2 ILE 8 2HG2 ILE 8 5.426 -0.933 -14.441 33 3HG2 ILE 8 3HG2 ILE 8 6.761 -1.524 -15.424 34 1HD1 ILE 8 1HD1 ILE 8 3.880 -2.770 -12.323 35 2HD1 ILE 8 2HD1 ILE 8 5.268 -3.671 -12.937 36 3HD1 ILE 8 3HD1 ILE 8 3.695 -4.457 -12.802 37 H THR 9 H THR 9 5.797 -0.157 -16.925 38 HA THR 9 HA THR 9 7.944 -1.206 -18.683 39 HB THR 9 HB THR 9 7.031 1.674 -18.620 40 HG1 THR 9 HG1 THR 9 5.310 0.551 -19.497 41 1HG2 THR 9 1HG2 THR 9 9.350 0.984 -19.439 42 2HG2 THR 9 2HG2 THR 9 8.366 1.963 -20.528 43 3HG2 THR 9 3HG2 THR 9 8.511 0.225 -20.791 44 H ASP 10 H ASP 10 9.971 -1.059 -17.942 45 HA ASP 10 HA ASP 10 10.649 -0.409 -15.365 46 1HB ASP 10 2HB ASP 10 12.031 -1.634 -17.127 47 2HB ASP 10 1HB ASP 10 12.569 -0.043 -17.659 48 H GLU 11 H GLU 11 10.301 1.752 -18.100 49 HA GLU 11 HA GLU 11 11.685 3.985 -17.186 50 1HB GLU 11 2HB GLU 11 9.603 3.427 -19.124 51 2HB GLU 11 1HB GLU 11 9.309 4.956 -18.315 52 1HG GLU 11 2HG GLU 11 11.561 5.701 -18.925 53 2HG GLU 11 1HG GLU 11 11.818 4.181 -19.781 54 H GLN 12 H GLN 12 8.464 2.819 -16.463 55 HA GLN 12 HA GLN 12 7.682 4.950 -14.743 56 1HB GLN 12 2HB GLN 12 6.659 2.178 -15.334 57 2HB GLN 12 1HB GLN 12 5.856 3.253 -14.215 58 1HG GLN 12 2HG GLN 12 5.273 4.766 -15.894 59 2HG GLN 12 1HG GLN 12 6.446 4.086 -17.023 60 1HE2 GLN 12 1HE2 GLN 12 3.319 4.388 -16.594 61 2HE2 GLN 12 2HE2 GLN 12 2.743 2.911 -17.272 62 H ARG 13 H ARG 13 8.795 1.633 -14.286 63 HA ARG 13 HA ARG 13 8.590 1.226 -11.613 64 1HB ARG 13 2HB ARG 13 9.503 -0.503 -12.865 65 2HB ARG 13 1HB ARG 13 10.703 0.532 -13.614 66 1HG ARG 13 2HG ARG 13 11.657 0.701 -11.194 67 2HG ARG 13 1HG ARG 13 10.724 -0.777 -10.940 68 1HD ARG 13 2HD ARG 13 12.025 -1.193 -13.366 69 2HD ARG 13 1HD ARG 13 13.239 -0.415 -12.347 70 HE ARG 13 HE ARG 13 13.419 -2.415 -11.298 71 1HH1 ARG 13 2HH1 ARG 13 10.246 -2.141 -12.612 72 2HH1 ARG 13 1HH1 ARG 13 9.659 -3.558 -11.830 73 1HH2 ARG 13 1HH2 ARG 13 12.668 -4.314 -10.334 74 2HH2 ARG 13 2HH2 ARG 13 11.039 -4.813 -10.605 75 H GLN 14 H GLN 14 11.365 2.807 -13.167 76 HA GLN 14 HA GLN 14 12.510 3.615 -10.681 77 1HB GLN 14 2HB GLN 14 13.297 3.494 -13.398 78 2HB GLN 14 1HB GLN 14 13.473 5.159 -12.885 79 1HG GLN 14 2HG GLN 14 14.510 3.346 -10.899 80 2HG GLN 14 1HG GLN 14 15.259 3.073 -12.470 81 1HE2 GLN 14 1HE2 GLN 14 17.061 4.138 -12.691 82 2HE2 GLN 14 2HE2 GLN 14 17.424 5.700 -12.054 83 H TYR 15 H TYR 15 10.689 5.272 -13.260 84 HA TYR 15 HA TYR 15 10.801 7.869 -12.405 85 1HB TYR 15 2HB TYR 15 9.538 7.029 -14.397 86 2HB TYR 15 1HB TYR 15 8.269 6.481 -13.307 87 HD1 TYR 15 HD1 TYR 15 6.413 7.832 -13.523 88 HD2 TYR 15 HD2 TYR 15 10.266 9.635 -13.511 89 HE1 TYR 15 HE1 TYR 15 5.367 10.056 -13.618 90 HE2 TYR 15 HE2 TYR 15 9.230 11.864 -13.604 91 HH TYR 15 HH TYR 15 5.707 12.245 -13.777 92 H TYR 16 H TYR 16 8.769 5.269 -11.138 93 HA TYR 16 HA TYR 16 7.475 6.913 -9.177 94 1HB TYR 16 2HB TYR 16 7.719 3.899 -9.186 95 2HB TYR 16 1HB TYR 16 6.496 4.868 -8.373 96 HD1 TYR 16 HD1 TYR 16 6.570 6.706 -11.098 97 HD2 TYR 16 HD2 TYR 16 5.707 2.660 -10.105 98 HE1 TYR 16 HE1 TYR 16 5.146 6.529 -13.093 99 HE2 TYR 16 HE2 TYR 16 4.278 2.474 -12.097 100 HH TYR 16 HH TYR 16 3.006 4.875 -13.680 101 H VAL 17 H VAL 17 10.051 4.447 -9.050 102 HA VAL 17 HA VAL 17 10.553 4.531 -6.316 103 HB VAL 17 HB VAL 17 12.605 4.145 -8.503 104 1HG1 VAL 17 1HG1 VAL 17 13.077 2.595 -6.157 105 2HG1 VAL 17 2HG1 VAL 17 12.885 4.285 -5.693 106 3HG1 VAL 17 3HG1 VAL 17 14.098 3.831 -6.890 107 1HG2 VAL 17 1HG2 VAL 17 11.765 2.118 -8.899 108 2HG2 VAL 17 2HG2 VAL 17 10.337 2.627 -7.995 109 3HG2 VAL 17 3HG2 VAL 17 11.636 1.757 -7.177 110 H ASN 18 H ASN 18 11.512 6.775 -8.837 111 HA ASN 18 HA ASN 18 13.586 8.167 -7.766 112 1HB ASN 18 2HB ASN 18 11.395 8.746 -9.570 113 2HB ASN 18 1HB ASN 18 11.846 10.164 -8.639 114 1HD2 ASN 18 1HD2 ASN 18 12.468 8.445 -11.372 115 2HD2 ASN 18 2HD2 ASN 18 14.048 9.043 -11.726 116 H GLN 19 H GLN 19 10.160 8.541 -6.922 117 HA GLN 19 HA GLN 19 10.919 10.291 -4.695 118 1HB GLN 19 2HB GLN 19 8.199 9.615 -5.832 119 2HB GLN 19 1HB GLN 19 8.481 10.702 -4.478 120 1HG GLN 19 2HG GLN 19 9.768 12.186 -5.922 121 2HG GLN 19 1HG GLN 19 9.503 11.099 -7.282 122 1HE2 GLN 19 1HE2 GLN 19 6.774 11.025 -5.451 123 2HE2 GLN 19 2HE2 GLN 19 5.852 12.237 -6.260 124 H PHE 20 H PHE 20 9.019 7.331 -5.333 125 HA PHE 20 HA PHE 20 8.373 6.797 -2.674 126 1HB PHE 20 2HB PHE 20 8.215 5.370 -5.160 127 2HB PHE 20 1HB PHE 20 8.678 4.292 -3.842 128 HD1 PHE 20 HD1 PHE 20 6.976 3.295 -2.673 129 HD2 PHE 20 HD2 PHE 20 6.298 7.095 -4.458 130 HE1 PHE 20 HE1 PHE 20 4.653 3.258 -1.861 131 HE2 PHE 20 HE2 PHE 20 3.974 7.063 -3.651 132 HZ PHE 20 HZ PHE 20 3.157 5.148 -2.348 133 H LYS 21 H LYS 21 11.388 6.409 -4.319 134 HA LYS 21 HA LYS 21 12.640 4.433 -2.865 135 1HB LYS 21 2HB LYS 21 14.758 5.570 -3.342 136 2HB LYS 21 1HB LYS 21 13.713 5.562 -4.752 137 1HG LYS 21 2HG LYS 21 14.782 7.690 -4.597 138 2HG LYS 21 1HG LYS 21 13.070 7.899 -4.228 139 1HD LYS 21 2HD LYS 21 13.488 8.168 -1.933 140 2HD LYS 21 1HD LYS 21 15.119 7.510 -2.066 141 1HE LYS 21 2HE LYS 21 15.814 9.468 -3.338 142 2HE LYS 21 1HE LYS 21 14.176 10.118 -3.255 143 1HZ LYS 21 1HZ LYS 21 14.508 10.867 -1.196 144 2HZ LYS 21 2HZ LYS 21 16.158 10.648 -1.494 145 3HZ LYS 21 3HZ LYS 21 15.281 9.452 -0.683 146 H THR 22 H THR 22 11.619 7.564 -1.845 147 HA THR 22 HA THR 22 13.220 8.094 0.348 148 HB THR 22 HB THR 22 10.218 8.491 0.245 149 HG1 THR 22 HG1 THR 22 10.813 9.673 -1.440 150 1HG2 THR 22 1HG2 THR 22 11.387 8.815 2.460 151 2HG2 THR 22 2HG2 THR 22 10.546 10.233 1.835 152 3HG2 THR 22 3HG2 THR 22 12.300 10.117 1.698 153 H ILE 23 H ILE 23 10.816 5.678 -0.110 154 HA ILE 23 HA ILE 23 11.270 4.673 2.620 155 HB ILE 23 HB ILE 23 8.717 4.423 1.021 156 1HG1 ILE 23 2HG1 ILE 23 9.314 6.042 3.507 157 2HG1 ILE 23 1HG1 ILE 23 9.083 6.701 1.890 158 1HG2 ILE 23 1HG2 ILE 23 9.471 3.470 3.782 159 2HG2 ILE 23 2HG2 ILE 23 9.043 2.480 2.386 160 3HG2 ILE 23 3HG2 ILE 23 7.823 3.495 3.154 161 1HD1 ILE 23 1HD1 ILE 23 6.885 5.016 2.826 162 2HD1 ILE 23 2HD1 ILE 23 6.859 6.598 2.043 163 3HD1 ILE 23 3HD1 ILE 23 7.156 6.476 3.777 164 H GLN 24 H GLN 24 10.542 3.860 -0.762 165 HA GLN 24 HA GLN 24 11.530 1.145 -0.248 166 1HB GLN 24 2HB GLN 24 9.144 2.037 -1.414 167 2HB GLN 24 1HB GLN 24 10.125 1.419 -2.728 168 1HG GLN 24 2HG GLN 24 8.756 -0.352 -1.901 169 2HG GLN 24 1HG GLN 24 10.429 -0.683 -1.447 170 1HE2 GLN 24 1HE2 GLN 24 10.593 1.059 0.808 171 2HE2 GLN 24 2HE2 GLN 24 9.568 0.419 2.033 172 HA PRO 25 HA PRO 25 14.670 3.354 -2.914 173 1HB PRO 25 2HB PRO 25 16.753 1.946 -1.762 174 2HB PRO 25 1HB PRO 25 16.215 3.550 -1.259 175 1HG PRO 25 2HG PRO 25 15.596 0.881 -0.075 176 2HG PRO 25 1HG PRO 25 15.898 2.427 0.737 177 1HD PRO 25 2HD PRO 25 13.415 1.433 0.454 178 2HD PRO 25 1HD PRO 25 13.739 3.180 0.385 179 H ASP 26 H ASP 26 14.650 -0.065 -1.910 180 HA ASP 26 HA ASP 26 14.698 -0.912 -4.658 181 1HB ASP 26 2HB ASP 26 17.050 -0.622 -4.096 182 2HB ASP 26 1HB ASP 26 16.862 -1.636 -2.679 183 H LEU 27 H LEU 27 14.891 -3.464 -4.585 184 HA LEU 27 HA LEU 27 12.583 -4.501 -3.522 185 1HB LEU 27 2HB LEU 27 15.175 -5.854 -4.211 186 2HB LEU 27 1HB LEU 27 13.762 -6.755 -3.695 187 HG LEU 27 HG LEU 27 12.499 -5.855 -5.607 188 1HD1 LEU 27 1HD1 LEU 27 13.664 -3.752 -5.900 189 2HD1 LEU 27 2HD1 LEU 27 13.710 -4.685 -7.397 190 3HD1 LEU 27 3HD1 LEU 27 15.135 -4.606 -6.361 191 1HD2 LEU 27 1HD2 LEU 27 14.767 -7.644 -5.724 192 2HD2 LEU 27 2HD2 LEU 27 14.449 -6.888 -7.285 193 3HD2 LEU 27 3HD2 LEU 27 13.174 -7.790 -6.466 194 H ASN 28 H ASN 28 15.408 -3.711 -1.768 195 HA ASN 28 HA ASN 28 14.696 -5.508 0.430 196 1HB ASN 28 2HB ASN 28 17.112 -5.078 -0.392 197 2HB ASN 28 1HB ASN 28 16.980 -3.544 0.464 198 1HD2 ASN 28 1HD2 ASN 28 18.325 -6.355 0.769 199 2HD2 ASN 28 2HD2 ASN 28 18.179 -6.636 2.466 200 H GLY 29 H GLY 29 12.852 -3.558 -0.216 201 1HA GLY 29 2HA GLY 29 12.805 -2.004 2.275 202 2HA GLY 29 1HA GLY 29 12.543 -1.162 0.750 203 H PHE 30 H PHE 30 10.808 -1.925 3.214 204 HA PHE 30 HA PHE 30 8.523 -2.912 1.612 205 1HB PHE 30 2HB PHE 30 9.267 -3.656 4.447 206 2HB PHE 30 1HB PHE 30 7.690 -3.987 3.740 207 HD1 PHE 30 HD1 PHE 30 7.443 -6.197 3.244 208 HD2 PHE 30 HD2 PHE 30 11.210 -4.351 2.539 209 HE1 PHE 30 HE1 PHE 30 8.297 -8.304 2.311 210 HE2 PHE 30 HE2 PHE 30 12.070 -6.457 1.600 211 HZ PHE 30 HZ PHE 30 10.612 -8.436 1.486 212 H ILE 31 H ILE 31 6.599 -1.875 1.885 213 HA ILE 31 HA ILE 31 6.606 0.449 3.693 214 HB ILE 31 HB ILE 31 5.451 0.034 0.969 215 1HG1 ILE 31 2HG1 ILE 31 6.872 2.374 2.252 216 2HG1 ILE 31 1HG1 ILE 31 7.669 1.116 1.311 217 1HG2 ILE 31 1HG2 ILE 31 4.188 1.491 3.170 218 2HG2 ILE 31 2HG2 ILE 31 3.514 0.917 1.646 219 3HG2 ILE 31 3HG2 ILE 31 4.402 2.437 1.696 220 1HD1 ILE 31 1HD1 ILE 31 5.468 2.819 0.193 221 2HD1 ILE 31 2HD1 ILE 31 6.621 1.808 -0.681 222 3HD1 ILE 31 3HD1 ILE 31 7.168 3.282 0.120 223 HA PRO 32 HA PRO 32 3.310 -1.771 5.766 224 1HB PRO 32 2HB PRO 32 2.880 0.099 7.684 225 2HB PRO 32 1HB PRO 32 4.231 -1.039 7.746 226 1HG PRO 32 2HG PRO 32 4.196 1.816 6.842 227 2HG PRO 32 1HG PRO 32 5.386 0.979 7.858 228 1HD PRO 32 2HD PRO 32 5.795 1.443 5.221 229 2HD PRO 32 1HD PRO 32 6.434 0.003 6.040 230 H GLY 33 H GLY 33 1.018 -1.472 6.015 231 1HA GLY 33 2HA GLY 33 -0.311 -0.142 4.018 232 2HA GLY 33 1HA GLY 33 -1.043 -0.494 5.580 233 H SER 34 H SER 34 0.703 1.141 7.129 234 HA SER 34 HA SER 34 -0.649 3.585 7.105 235 1HB SER 34 2HB SER 34 1.124 4.367 8.636 236 2HB SER 34 1HB SER 34 0.573 2.747 9.066 237 HG SER 34 HG SER 34 2.943 3.169 8.950 238 H ALA 35 H ALA 35 2.736 2.952 6.139 239 HA ALA 35 HA ALA 35 3.312 5.458 5.103 240 1HB ALA 35 1HB ALA 35 5.276 4.504 4.669 241 2HB ALA 35 2HB ALA 35 4.546 3.401 3.505 242 3HB ALA 35 3HB ALA 35 4.587 2.975 5.216 243 H ALA 36 H ALA 36 1.974 2.617 3.418 244 HA ALA 36 HA ALA 36 1.754 3.816 0.880 245 1HB ALA 36 1HB ALA 36 0.472 1.494 2.234 246 2HB ALA 36 2HB ALA 36 1.424 1.552 0.751 247 3HB ALA 36 3HB ALA 36 -0.252 2.097 0.743 248 H LYS 37 H LYS 37 -0.428 3.706 3.649 249 HA LYS 37 HA LYS 37 -2.671 4.907 2.523 250 1HB LYS 37 2HB LYS 37 -1.704 4.199 5.124 251 2HB LYS 37 1HB LYS 37 -2.416 5.802 5.195 252 1HG LYS 37 2HG LYS 37 -4.081 4.162 5.728 253 2HG LYS 37 1HG LYS 37 -4.471 4.893 4.172 254 1HD LYS 37 2HD LYS 37 -3.505 2.967 3.021 255 2HD LYS 37 1HD LYS 37 -3.095 2.238 4.573 256 1HE LYS 37 2HE LYS 37 -5.154 1.302 3.587 257 2HE LYS 37 1HE LYS 37 -5.431 2.060 5.156 258 1HZ LYS 37 1HZ LYS 37 -6.686 3.680 4.248 259 2HZ LYS 37 2HZ LYS 37 -6.927 2.539 3.021 260 3HZ LYS 37 3HZ LYS 37 -5.775 3.761 2.822 261 H GLU 38 H GLU 38 -0.029 6.466 4.375 262 HA GLU 38 HA GLU 38 -0.964 9.093 3.993 263 1HB GLU 38 2HB GLU 38 1.367 7.818 5.116 264 2HB GLU 38 1HB GLU 38 1.823 9.242 4.189 265 1HG GLU 38 2HG GLU 38 0.171 10.558 5.467 266 2HG GLU 38 1HG GLU 38 -0.150 9.132 6.452 267 H PHE 39 H PHE 39 1.543 7.260 2.230 268 HA PHE 39 HA PHE 39 2.297 9.244 0.442 269 1HB PHE 39 2HB PHE 39 2.818 6.540 0.830 270 2HB PHE 39 1HB PHE 39 2.150 6.617 -0.785 271 HD1 PHE 39 HD1 PHE 39 3.171 9.267 -1.664 272 HD2 PHE 39 HD2 PHE 39 5.080 6.108 0.457 273 HE1 PHE 39 HE1 PHE 39 5.355 10.010 -2.523 274 HE2 PHE 39 HE2 PHE 39 7.266 6.848 -0.399 275 HZ PHE 39 HZ PHE 39 7.402 8.800 -1.892 276 H PHE 40 H PHE 40 -0.178 6.721 0.011 277 HA PHE 40 HA PHE 40 -1.050 7.746 -2.484 278 1HB PHE 40 2HB PHE 40 -2.213 5.744 -0.570 279 2HB PHE 40 1HB PHE 40 -3.036 6.207 -2.053 280 HD1 PHE 40 HD1 PHE 40 -1.474 6.146 -4.202 281 HD2 PHE 40 HD2 PHE 40 -0.860 3.888 -0.648 282 HE1 PHE 40 HE1 PHE 40 -0.129 4.521 -5.470 283 HE2 PHE 40 HE2 PHE 40 0.489 2.262 -1.911 284 HZ PHE 40 HZ PHE 40 0.852 2.578 -4.326 285 H THR 41 H THR 41 -1.894 8.560 0.798 286 HA THR 41 HA THR 41 -4.445 9.472 0.686 287 HB THR 41 HB THR 41 -2.075 10.845 1.953 288 HG1 THR 41 HG1 THR 41 -3.074 8.734 2.707 289 1HG2 THR 41 1HG2 THR 41 -3.558 12.635 1.668 290 2HG2 THR 41 2HG2 THR 41 -3.895 12.053 3.296 291 3HG2 THR 41 3HG2 THR 41 -4.979 11.629 1.972 292 H LYS 42 H LYS 42 -1.624 11.251 -0.569 293 HA LYS 42 HA LYS 42 -2.730 13.627 -1.312 294 1HB LYS 42 2HB LYS 42 -0.778 11.924 -2.861 295 2HB LYS 42 1HB LYS 42 -1.137 13.600 -3.255 296 1HG LYS 42 2HG LYS 42 -0.056 12.670 -0.606 297 2HG LYS 42 1HG LYS 42 0.931 13.293 -1.929 298 1HD LYS 42 2HD LYS 42 -1.311 14.821 -0.607 299 2HD LYS 42 1HD LYS 42 0.397 14.994 -0.189 300 1HE LYS 42 2HE LYS 42 -0.818 15.505 -2.903 301 2HE LYS 42 1HE LYS 42 -0.339 16.742 -1.743 302 1HZ LYS 42 1HZ LYS 42 1.420 16.556 -3.271 303 2HZ LYS 42 2HZ LYS 42 1.409 14.866 -3.228 304 3HZ LYS 42 3HZ LYS 42 1.956 15.742 -1.890 305 H SER 43 H SER 43 -3.264 10.523 -2.790 306 HA SER 43 HA SER 43 -4.304 11.196 -5.263 307 1HB SER 43 2HB SER 43 -5.487 9.068 -5.213 308 2HB SER 43 1HB SER 43 -3.887 8.871 -4.499 309 HG SER 43 HG SER 43 -4.763 8.555 -2.570 310 H LYS 44 H LYS 44 -5.828 11.448 -2.121 311 HA LYS 44 HA LYS 44 -7.791 12.455 -1.477 312 1HB LYS 44 2HB LYS 44 -6.966 14.001 -3.496 313 2HB LYS 44 1HB LYS 44 -8.387 13.326 -4.271 314 1HG LYS 44 2HG LYS 44 -8.381 14.827 -1.661 315 2HG LYS 44 1HG LYS 44 -8.805 15.510 -3.230 316 1HD LYS 44 2HD LYS 44 -10.878 15.010 -2.349 317 2HD LYS 44 1HD LYS 44 -10.535 13.569 -3.304 318 1HE LYS 44 2HE LYS 44 -11.402 12.912 -1.150 319 2HE LYS 44 1HE LYS 44 -9.705 12.450 -1.265 320 1HZ LYS 44 1HZ LYS 44 -9.231 13.681 0.495 321 2HZ LYS 44 2HZ LYS 44 -10.885 13.962 0.716 322 3HZ LYS 44 3HZ LYS 44 -9.955 15.054 -0.180 323 H LEU 45 H LEU 45 -7.474 9.778 -2.925 324 HA LEU 45 HA LEU 45 -10.076 9.328 -4.111 325 1HB LEU 45 2HB LEU 45 -7.790 7.457 -3.507 326 2HB LEU 45 1HB LEU 45 -9.259 6.989 -4.345 327 HG LEU 45 HG LEU 45 -7.234 9.011 -5.310 328 1HD1 LEU 45 1HD1 LEU 45 -6.428 7.428 -6.753 329 2HD1 LEU 45 2HD1 LEU 45 -7.923 6.495 -6.742 330 3HD1 LEU 45 3HD1 LEU 45 -6.825 6.416 -5.365 331 1HD2 LEU 45 1HD2 LEU 45 -8.726 8.611 -7.447 332 2HD2 LEU 45 2HD2 LEU 45 -9.154 9.827 -6.243 333 3HD2 LEU 45 3HD2 LEU 45 -9.958 8.258 -6.235 334 HA PRO 46 HA PRO 46 -12.233 7.864 -0.552 335 1HB PRO 46 2HB PRO 46 -13.797 5.916 -1.633 336 2HB PRO 46 1HB PRO 46 -14.104 7.641 -1.863 337 1HG PRO 46 2HG PRO 46 -12.758 5.694 -3.695 338 2HG PRO 46 1HG PRO 46 -13.934 6.965 -4.080 339 1HD PRO 46 2HD PRO 46 -11.279 7.275 -4.492 340 2HD PRO 46 1HD PRO 46 -12.336 8.629 -4.051 341 H ILE 47 H ILE 47 -11.957 6.393 1.061 342 HA ILE 47 HA ILE 47 -9.862 4.647 1.163 343 HB ILE 47 HB ILE 47 -12.478 4.299 2.625 344 1HG1 ILE 47 2HG1 ILE 47 -10.922 5.361 4.476 345 2HG1 ILE 47 1HG1 ILE 47 -10.066 6.011 3.082 346 1HG2 ILE 47 1HG2 ILE 47 -10.537 3.347 4.267 347 2HG2 ILE 47 2HG2 ILE 47 -9.931 2.852 2.686 348 3HG2 ILE 47 3HG2 ILE 47 -11.540 2.353 3.210 349 1HD1 ILE 47 1HD1 ILE 47 -11.686 7.596 3.938 350 2HD1 ILE 47 2HD1 ILE 47 -12.978 6.418 3.713 351 3HD1 ILE 47 3HD1 ILE 47 -12.125 7.069 2.314 352 H LEU 48 H LEU 48 -13.084 4.009 -0.093 353 HA LEU 48 HA LEU 48 -13.035 1.233 -0.214 354 1HB LEU 48 2HB LEU 48 -14.619 3.321 -1.271 355 2HB LEU 48 1HB LEU 48 -14.192 2.284 -2.619 356 HG LEU 48 HG LEU 48 -15.048 0.335 -1.264 357 1HD1 LEU 48 1HD1 LEU 48 -16.722 2.086 0.373 358 2HD1 LEU 48 2HD1 LEU 48 -15.015 2.103 0.815 359 3HD1 LEU 48 3HD1 LEU 48 -15.904 0.580 0.790 360 1HD2 LEU 48 1HD2 LEU 48 -16.793 2.581 -2.210 361 2HD2 LEU 48 2HD2 LEU 48 -17.489 1.091 -1.570 362 3HD2 LEU 48 3HD2 LEU 48 -16.445 1.037 -2.989 363 H GLU 49 H GLU 49 -12.136 3.470 -2.886 364 HA GLU 49 HA GLU 49 -11.003 1.439 -4.503 365 1HB GLU 49 2HB GLU 49 -10.569 4.433 -4.496 366 2HB GLU 49 1HB GLU 49 -9.910 3.353 -5.717 367 1HG GLU 49 2HG GLU 49 -12.152 2.695 -6.380 368 2HG GLU 49 1HG GLU 49 -12.839 3.719 -5.121 369 H LEU 50 H LEU 50 -9.505 3.879 -2.386 370 HA LEU 50 HA LEU 50 -6.841 3.146 -2.713 371 1HB LEU 50 2HB LEU 50 -8.403 4.690 -0.839 372 2HB LEU 50 1HB LEU 50 -7.135 3.807 -0.006 373 HG LEU 50 HG LEU 50 -6.617 5.586 -2.391 374 1HD1 LEU 50 1HD1 LEU 50 -5.758 6.488 0.264 375 2HD1 LEU 50 2HD1 LEU 50 -7.504 6.507 0.009 376 3HD1 LEU 50 3HD1 LEU 50 -6.442 7.398 -1.083 377 1HD2 LEU 50 1HD2 LEU 50 -4.993 3.870 -0.635 378 2HD2 LEU 50 2HD2 LEU 50 -4.333 5.475 -0.953 379 3HD2 LEU 50 3HD2 LEU 50 -4.706 4.393 -2.295 380 H SER 51 H SER 51 -9.283 1.799 -0.560 381 HA SER 51 HA SER 51 -7.538 -0.006 0.783 382 1HB SER 51 2HB SER 51 -9.670 0.675 1.779 383 2HB SER 51 1HB SER 51 -10.550 -0.066 0.446 384 HG SER 51 HG SER 51 -10.549 -1.520 2.112 385 H HIS 52 H HIS 52 -10.008 -0.461 -1.746 386 HA HIS 52 HA HIS 52 -9.679 -3.136 -2.273 387 1HB HIS 52 2HB HIS 52 -11.357 -1.759 -3.410 388 2HB HIS 52 1HB HIS 52 -10.087 -0.914 -4.289 389 HD1 HIS 52 HD1 HIS 52 -10.982 -4.607 -3.853 390 HD2 HIS 52 HD2 HIS 52 -9.935 -1.861 -6.787 391 HE1 HIS 52 HE1 HIS 52 -10.932 -5.884 -6.032 392 H ILE 53 H ILE 53 -7.730 -0.420 -3.366 393 HA ILE 53 HA ILE 53 -6.052 -1.710 -5.171 394 HB ILE 53 HB ILE 53 -5.459 0.573 -3.285 395 1HG1 ILE 53 2HG1 ILE 53 -7.222 1.041 -4.903 396 2HG1 ILE 53 1HG1 ILE 53 -5.771 1.943 -5.323 397 1HG2 ILE 53 1HG2 ILE 53 -3.750 -0.838 -5.230 398 2HG2 ILE 53 2HG2 ILE 53 -3.313 0.082 -3.790 399 3HG2 ILE 53 3HG2 ILE 53 -3.706 0.924 -5.289 400 1HD1 ILE 53 1HD1 ILE 53 -5.824 1.074 -7.351 401 2HD1 ILE 53 2HD1 ILE 53 -7.272 0.162 -6.925 402 3HD1 ILE 53 3HD1 ILE 53 -5.676 -0.548 -6.673 403 H TRP 54 H TRP 54 -5.490 -1.270 -1.626 404 HA TRP 54 HA TRP 54 -3.028 -2.571 -1.578 405 1HB TRP 54 2HB TRP 54 -3.947 -1.402 0.399 406 2HB TRP 54 1HB TRP 54 -5.124 -2.702 0.600 407 HD1 TRP 54 HD1 TRP 54 -4.118 -5.159 1.274 408 HE1 TRP 54 HE1 TRP 54 -1.989 -5.809 2.574 409 HE3 TRP 54 HE3 TRP 54 -1.577 -0.730 0.912 410 HZ2 TRP 54 HZ2 TRP 54 0.437 -4.577 3.360 411 HZ3 TRP 54 HZ3 TRP 54 0.631 -0.547 1.973 412 HH2 TRP 54 HH2 TRP 54 1.619 -2.428 3.169 413 H GLU 55 H GLU 55 -6.252 -4.030 -0.980 414 HA GLU 55 HA GLU 55 -5.548 -6.644 -0.595 415 1HB GLU 55 2HB GLU 55 -7.818 -5.562 -2.263 416 2HB GLU 55 1HB GLU 55 -7.668 -7.252 -1.807 417 1HG GLU 55 2HG GLU 55 -7.865 -4.964 0.132 418 2HG GLU 55 1HG GLU 55 -9.212 -5.984 -0.374 419 H LEU 56 H LEU 56 -6.170 -5.171 -3.761 420 HA LEU 56 HA LEU 56 -5.360 -7.404 -5.276 421 1HB LEU 56 2HB LEU 56 -5.848 -4.520 -5.826 422 2HB LEU 56 1HB LEU 56 -5.045 -5.471 -7.056 423 HG LEU 56 HG LEU 56 -6.946 -7.011 -7.133 424 1HD1 LEU 56 1HD1 LEU 56 -8.119 -5.198 -5.032 425 2HD1 LEU 56 2HD1 LEU 56 -7.692 -6.900 -4.850 426 3HD1 LEU 56 3HD1 LEU 56 -9.019 -6.432 -5.913 427 1HD2 LEU 56 1HD2 LEU 56 -7.043 -5.202 -8.678 428 2HD2 LEU 56 2HD2 LEU 56 -7.613 -4.089 -7.433 429 3HD2 LEU 56 3HD2 LEU 56 -8.656 -5.396 -7.993 430 H SER 57 H SER 57 -3.551 -4.655 -4.015 431 HA SER 57 HA SER 57 -1.167 -5.345 -5.500 432 1HB SER 57 2HB SER 57 -1.666 -3.276 -3.356 433 2HB SER 57 1HB SER 57 -0.173 -3.438 -4.273 434 HG SER 57 HG SER 57 -1.101 -2.233 -5.705 435 H ASP 58 H ASP 58 -2.488 -6.175 -2.442 436 HA ASP 58 HA ASP 58 0.131 -6.940 -1.386 437 1HB ASP 58 2HB ASP 58 -1.577 -5.609 -0.035 438 2HB ASP 58 1HB ASP 58 -2.508 -7.100 0.066 439 H PHE 59 H PHE 59 -0.329 -8.466 -3.410 440 HA PHE 59 HA PHE 59 -1.874 -10.689 -3.434 441 1HB PHE 59 2HB PHE 59 1.060 -10.753 -4.128 442 2HB PHE 59 1HB PHE 59 -0.220 -11.749 -4.810 443 HD1 PHE 59 HD1 PHE 59 -1.360 -11.061 -6.725 444 HD2 PHE 59 HD2 PHE 59 0.971 -8.243 -4.550 445 HE1 PHE 59 HE1 PHE 59 -1.661 -9.419 -8.533 446 HE2 PHE 59 HE2 PHE 59 0.668 -6.596 -6.350 447 HZ PHE 59 HZ PHE 59 -0.648 -7.184 -8.347 448 H ASP 60 H ASP 60 0.640 -10.075 -1.153 449 HA ASP 60 HA ASP 60 0.758 -12.883 -0.345 450 1HB ASP 60 2HB ASP 60 2.567 -12.085 1.179 451 2HB ASP 60 1HB ASP 60 2.878 -11.758 -0.525 452 H LYS 61 H LYS 61 -0.519 -9.812 0.725 453 HA LYS 61 HA LYS 61 -1.933 -9.245 2.417 454 1HB LYS 61 2HB LYS 61 -2.565 -11.939 1.850 455 2HB LYS 61 1HB LYS 61 -2.533 -11.782 3.602 456 1HG LYS 61 2HG LYS 61 -4.148 -10.099 1.697 457 2HG LYS 61 1HG LYS 61 -4.761 -11.389 2.729 458 1HD LYS 61 2HD LYS 61 -3.446 -8.856 3.710 459 2HD LYS 61 1HD LYS 61 -5.188 -9.142 3.652 460 1HE LYS 61 2HE LYS 61 -4.782 -11.162 5.107 461 2HE LYS 61 1HE LYS 61 -3.135 -10.566 5.328 462 1HZ LYS 61 1HZ LYS 61 -5.566 -9.663 6.519 463 2HZ LYS 61 2HZ LYS 61 -4.689 -8.401 5.835 464 3HZ LYS 61 3HZ LYS 61 -3.974 -9.392 7.000 465 H ASP 62 H ASP 62 0.672 -9.042 2.956 466 HA ASP 62 HA ASP 62 1.196 -10.261 5.576 467 1HB ASP 62 2HB ASP 62 3.442 -9.145 5.209 468 2HB ASP 62 1HB ASP 62 3.006 -10.349 3.993 469 H GLY 63 H GLY 63 0.454 -7.229 4.048 470 1HA GLY 63 2HA GLY 63 -0.582 -5.410 5.236 471 2HA GLY 63 1HA GLY 63 0.261 -5.928 6.695 472 H ALA 64 H ALA 64 2.124 -6.140 3.939 473 HA ALA 64 HA ALA 64 3.269 -3.457 4.171 474 1HB ALA 64 1HB ALA 64 4.870 -6.001 4.442 475 2HB ALA 64 2HB ALA 64 4.563 -4.822 5.715 476 3HB ALA 64 3HB ALA 64 5.547 -4.377 4.321 477 H LEU 65 H LEU 65 4.032 -2.685 2.251 478 HA LEU 65 HA LEU 65 3.675 -4.377 -0.096 479 1HB LEU 65 2HB LEU 65 3.363 -1.529 0.487 480 2HB LEU 65 1HB LEU 65 4.181 -1.850 -1.029 481 HG LEU 65 HG LEU 65 2.329 -2.994 -1.931 482 1HD1 LEU 65 1HD1 LEU 65 0.300 -2.976 -0.032 483 2HD1 LEU 65 2HD1 LEU 65 1.723 -3.561 0.830 484 3HD1 LEU 65 3HD1 LEU 65 1.181 -4.379 -0.636 485 1HD2 LEU 65 1HD2 LEU 65 0.383 -1.372 -1.348 486 2HD2 LEU 65 2HD2 LEU 65 1.819 -0.760 -2.168 487 3HD2 LEU 65 3HD2 LEU 65 1.620 -0.512 -0.432 488 H THR 66 H THR 66 5.340 -5.157 -1.142 489 HA THR 66 HA THR 66 8.035 -4.272 -0.492 490 HB THR 66 HB THR 66 8.822 -6.205 -1.619 491 HG1 THR 66 HG1 THR 66 6.378 -7.160 -2.498 492 1HG2 THR 66 1HG2 THR 66 7.120 -6.390 0.510 493 2HG2 THR 66 2HG2 THR 66 8.077 -7.725 -0.130 494 3HG2 THR 66 3HG2 THR 66 6.396 -7.527 -0.629 495 H LEU 67 H LEU 67 9.568 -3.764 -2.226 496 HA LEU 67 HA LEU 67 8.826 -1.718 -3.836 497 1HB LEU 67 2HB LEU 67 11.157 -2.770 -3.395 498 2HB LEU 67 1HB LEU 67 10.838 -3.715 -4.837 499 HG LEU 67 HG LEU 67 12.188 -1.776 -5.381 500 1HD1 LEU 67 1HD1 LEU 67 10.379 -2.623 -6.941 501 2HD1 LEU 67 2HD1 LEU 67 10.962 -0.984 -7.226 502 3HD1 LEU 67 3HD1 LEU 67 9.418 -1.242 -6.414 503 1HD2 LEU 67 1HD2 LEU 67 11.580 -0.283 -3.607 504 2HD2 LEU 67 2HD2 LEU 67 9.912 -0.207 -4.178 505 3HD2 LEU 67 3HD2 LEU 67 11.208 0.499 -5.143 506 H ASP 68 H ASP 68 8.585 -5.171 -4.626 507 HA ASP 68 HA ASP 68 7.754 -4.824 -7.306 508 1HB ASP 68 2HB ASP 68 8.200 -6.983 -5.563 509 2HB ASP 68 1HB ASP 68 6.528 -7.121 -6.088 510 H GLU 69 H GLU 69 5.862 -5.454 -4.351 511 HA GLU 69 HA GLU 69 3.321 -5.211 -5.451 512 1HB GLU 69 2HB GLU 69 4.319 -4.420 -2.702 513 2HB GLU 69 1HB GLU 69 2.619 -4.484 -3.144 514 1HG GLU 69 2HG GLU 69 2.746 -6.847 -3.526 515 2HG GLU 69 1HG GLU 69 4.491 -6.833 -3.276 516 H PHE 70 H PHE 70 5.605 -2.804 -4.330 517 HA PHE 70 HA PHE 70 4.005 -0.509 -4.565 518 1HB PHE 70 2HB PHE 70 6.097 -0.328 -3.420 519 2HB PHE 70 1HB PHE 70 6.981 -0.981 -4.792 520 HD1 PHE 70 HD1 PHE 70 8.534 0.834 -4.899 521 HD2 PHE 70 HD2 PHE 70 4.345 1.526 -5.201 522 HE1 PHE 70 HE1 PHE 70 8.969 3.103 -5.747 523 HE2 PHE 70 HE2 PHE 70 4.773 3.796 -6.043 524 HZ PHE 70 HZ PHE 70 7.088 4.590 -6.306 525 H CYS 71 H CYS 71 6.383 -1.875 -6.835 526 HA CYS 71 HA CYS 71 6.048 -0.176 -8.979 527 1HB CYS 71 2HB CYS 71 6.736 -3.087 -8.774 528 2HB CYS 71 1HB CYS 71 6.568 -2.335 -10.354 529 HG CYS 71 HG CYS 71 8.687 -1.132 -7.963 530 H ALA 72 H ALA 72 4.350 -3.262 -8.469 531 HA ALA 72 HA ALA 72 2.575 -2.927 -10.658 532 1HB ALA 72 1HB ALA 72 1.398 -4.817 -9.788 533 2HB ALA 72 2HB ALA 72 2.106 -4.587 -8.189 534 3HB ALA 72 3HB ALA 72 3.123 -5.089 -9.539 535 H ALA 73 H ALA 73 2.320 -2.139 -7.227 536 HA ALA 73 HA ALA 73 -0.404 -1.471 -7.155 537 1HB ALA 73 1HB ALA 73 0.709 -1.807 -5.103 538 2HB ALA 73 2HB ALA 73 0.258 -0.102 -5.140 539 3HB ALA 73 3HB ALA 73 1.922 -0.583 -5.476 540 H PHE 74 H PHE 74 2.415 0.727 -7.436 541 HA PHE 74 HA PHE 74 0.926 3.070 -7.738 542 1HB PHE 74 2HB PHE 74 3.477 2.791 -7.444 543 2HB PHE 74 1HB PHE 74 3.522 2.641 -9.199 544 HD1 PHE 74 HD1 PHE 74 3.159 4.534 -10.615 545 HD2 PHE 74 HD2 PHE 74 2.767 4.881 -6.394 546 HE1 PHE 74 HE1 PHE 74 3.137 6.985 -10.823 547 HE2 PHE 74 HE2 PHE 74 2.743 7.333 -6.596 548 HZ PHE 74 HZ PHE 74 2.926 8.387 -8.811 549 H HIS 75 H HIS 75 2.022 0.733 -10.146 550 HA HIS 75 HA HIS 75 1.326 2.063 -12.475 551 1HB HIS 75 2HB HIS 75 2.214 -0.460 -11.737 552 2HB HIS 75 1HB HIS 75 0.691 -0.765 -12.548 553 HD1 HIS 75 HD1 HIS 75 0.533 0.351 -15.064 554 HD2 HIS 75 HD2 HIS 75 4.301 -0.038 -13.366 555 HE1 HIS 75 HE1 HIS 75 2.191 0.569 -16.963 556 H LEU 76 H LEU 76 -0.666 -0.248 -10.621 557 HA LEU 76 HA LEU 76 -2.959 -0.018 -12.176 558 1HB LEU 76 2HB LEU 76 -2.391 -1.673 -10.305 559 2HB LEU 76 1HB LEU 76 -3.022 -0.457 -9.208 560 HG LEU 76 HG LEU 76 -4.627 -1.518 -11.506 561 1HD1 LEU 76 1HD1 LEU 76 -5.149 -2.522 -8.777 562 2HD1 LEU 76 2HD1 LEU 76 -3.752 -3.191 -9.620 563 3HD1 LEU 76 3HD1 LEU 76 -5.359 -3.315 -10.339 564 1HD2 LEU 76 1HD2 LEU 76 -6.482 -0.584 -10.411 565 2HD2 LEU 76 2HD2 LEU 76 -5.217 0.641 -10.302 566 3HD2 LEU 76 3HD2 LEU 76 -5.586 -0.371 -8.906 567 H VAL 77 H VAL 77 -2.024 1.844 -9.278 568 HA VAL 77 HA VAL 77 -4.332 3.400 -9.066 569 HB VAL 77 HB VAL 77 -1.480 4.205 -8.473 570 1HG1 VAL 77 1HG1 VAL 77 -4.070 5.593 -8.113 571 2HG1 VAL 77 2HG1 VAL 77 -2.453 6.251 -8.366 572 3HG1 VAL 77 3HG1 VAL 77 -2.930 5.672 -6.769 573 1HG2 VAL 77 1HG2 VAL 77 -1.645 2.742 -6.802 574 2HG2 VAL 77 2HG2 VAL 77 -3.336 2.416 -7.182 575 3HG2 VAL 77 3HG2 VAL 77 -2.913 3.756 -6.114 576 H VAL 78 H VAL 78 -1.380 4.026 -10.918 577 HA VAL 78 HA VAL 78 -1.775 6.513 -11.944 578 HB VAL 78 HB VAL 78 -0.766 4.062 -13.385 579 1HG1 VAL 78 1HG1 VAL 78 0.453 6.074 -14.670 580 2HG1 VAL 78 2HG1 VAL 78 -1.090 6.851 -14.306 581 3HG1 VAL 78 3HG1 VAL 78 -1.055 5.343 -15.222 582 1HG2 VAL 78 1HG2 VAL 78 1.383 4.710 -12.736 583 2HG2 VAL 78 2HG2 VAL 78 0.398 4.953 -11.292 584 3HG2 VAL 78 3HG2 VAL 78 0.860 6.335 -12.289 585 H ALA 79 H ALA 79 -3.038 3.528 -13.404 586 HA ALA 79 HA ALA 79 -4.330 4.525 -15.594 587 1HB ALA 79 1HB ALA 79 -4.411 2.133 -14.065 588 2HB ALA 79 2HB ALA 79 -4.852 2.384 -15.753 589 3HB ALA 79 3HB ALA 79 -6.062 2.587 -14.485 590 H ARG 80 H ARG 80 -5.800 4.152 -12.369 591 HA ARG 80 HA ARG 80 -8.299 5.201 -12.942 592 1HB ARG 80 2HB ARG 80 -7.341 4.095 -10.788 593 2HB ARG 80 1HB ARG 80 -6.921 5.736 -10.326 594 1HG ARG 80 2HG ARG 80 -9.043 4.981 -9.356 595 2HG ARG 80 1HG ARG 80 -9.245 6.395 -10.391 596 1HD ARG 80 2HD ARG 80 -10.265 5.142 -12.084 597 2HD ARG 80 1HD ARG 80 -9.627 3.619 -11.456 598 HE ARG 80 HE ARG 80 -11.304 4.693 -9.495 599 1HH1 ARG 80 2HH1 ARG 80 -11.577 3.447 -12.729 600 2HH1 ARG 80 1HH1 ARG 80 -13.175 2.822 -12.471 601 1HH2 ARG 80 1HH2 ARG 80 -13.320 3.920 -9.165 602 2HH2 ARG 80 2HH2 ARG 80 -14.169 3.115 -10.455 603 H LYS 81 H LYS 81 -5.308 6.848 -12.047 604 HA LYS 81 HA LYS 81 -6.183 9.426 -11.632 605 1HB LYS 81 2HB LYS 81 -3.882 8.856 -11.268 606 2HB LYS 81 1HB LYS 81 -3.661 8.412 -12.952 607 1HG LYS 81 2HG LYS 81 -4.330 11.215 -12.109 608 2HG LYS 81 1HG LYS 81 -2.673 10.620 -12.200 609 1HD LYS 81 2HD LYS 81 -2.944 10.130 -14.560 610 2HD LYS 81 1HD LYS 81 -4.639 10.604 -14.491 611 1HE LYS 81 2HE LYS 81 -3.299 12.391 -15.449 612 2HE LYS 81 1HE LYS 81 -3.974 12.889 -13.897 613 1HZ LYS 81 1HZ LYS 81 -1.792 12.261 -12.899 614 2HZ LYS 81 2HZ LYS 81 -1.721 13.573 -13.965 615 3HZ LYS 81 3HZ LYS 81 -1.187 12.048 -14.465 616 H ASN 82 H ASN 82 -5.766 7.725 -14.672 617 HA ASN 82 HA ASN 82 -6.919 10.064 -16.052 618 1HB ASN 82 2HB ASN 82 -5.616 9.414 -18.045 619 2HB ASN 82 1HB ASN 82 -4.585 9.821 -16.676 620 1HD2 ASN 82 1HD2 ASN 82 -5.130 7.637 -19.083 621 2HD2 ASN 82 2HD2 ASN 82 -4.213 6.312 -18.462 622 H GLY 83 H GLY 83 -8.515 8.040 -14.962 623 1HA GLY 83 2HA GLY 83 -10.527 7.227 -15.988 624 2HA GLY 83 1HA GLY 83 -9.594 6.879 -17.438 625 H TYR 84 H TYR 84 -9.290 4.821 -17.778 626 HA TYR 84 HA TYR 84 -9.361 2.548 -17.446 627 1HB TYR 84 2HB TYR 84 -7.152 3.709 -15.857 628 2HB TYR 84 1HB TYR 84 -7.512 2.008 -15.583 629 HD1 TYR 84 HD1 TYR 84 -5.936 0.707 -16.644 630 HD2 TYR 84 HD2 TYR 84 -7.438 4.133 -18.671 631 HE1 TYR 84 HE1 TYR 84 -4.586 0.124 -18.614 632 HE2 TYR 84 HE2 TYR 84 -6.095 3.556 -20.650 633 HH TYR 84 HH TYR 84 -4.705 0.596 -21.138 634 H ASP 85 H ASP 85 -11.066 1.509 -16.576 635 HA ASP 85 HA ASP 85 -12.042 2.144 -13.991 636 1HB ASP 85 2HB ASP 85 -13.547 1.336 -15.729 637 2HB ASP 85 1HB ASP 85 -12.724 -0.228 -15.731 638 H LEU 86 H LEU 86 -12.350 0.591 -12.238 639 HA LEU 86 HA LEU 86 -9.834 -0.481 -11.437 640 1HB LEU 86 2HB LEU 86 -12.565 -0.805 -10.191 641 2HB LEU 86 1HB LEU 86 -11.041 -1.220 -9.423 642 HG LEU 86 HG LEU 86 -11.881 1.561 -10.258 643 1HD1 LEU 86 1HD1 LEU 86 -13.055 0.489 -8.275 644 2HD1 LEU 86 2HD1 LEU 86 -12.254 2.035 -7.990 645 3HD1 LEU 86 3HD1 LEU 86 -11.490 0.535 -7.464 646 1HD2 LEU 86 1HD2 LEU 86 -9.460 0.687 -8.689 647 2HD2 LEU 86 2HD2 LEU 86 -9.871 2.328 -9.189 648 3HD2 LEU 86 3HD2 LEU 86 -9.440 1.119 -10.398 649 HA PRO 87 HA PRO 87 -10.312 -4.495 -13.245 650 1HB PRO 87 2HB PRO 87 -8.128 -5.665 -12.185 651 2HB PRO 87 1HB PRO 87 -8.020 -4.435 -13.451 652 1HG PRO 87 2HG PRO 87 -7.655 -4.146 -10.493 653 2HG PRO 87 1HG PRO 87 -6.682 -3.464 -11.810 654 1HD PRO 87 2HD PRO 87 -8.574 -2.035 -10.471 655 2HD PRO 87 1HD PRO 87 -8.149 -1.731 -12.166 656 H GLU 88 H GLU 88 -9.018 -6.637 -11.591 657 HA GLU 88 HA GLU 88 -10.480 -6.986 -9.186 658 1HB GLU 88 2HB GLU 88 -11.930 -8.839 -9.942 659 2HB GLU 88 1HB GLU 88 -12.365 -7.314 -10.699 660 1HG GLU 88 2HG GLU 88 -11.343 -7.954 -12.752 661 2HG GLU 88 1HG GLU 88 -10.629 -9.389 -12.015 662 H LYS 89 H LYS 89 -9.900 -8.991 -8.127 663 HA LYS 89 HA LYS 89 -8.219 -10.900 -9.436 664 1HB LYS 89 2HB LYS 89 -6.989 -8.704 -7.843 665 2HB LYS 89 1HB LYS 89 -6.296 -10.313 -7.702 666 1HG LYS 89 2HG LYS 89 -5.851 -10.386 -10.055 667 2HG LYS 89 1HG LYS 89 -6.702 -8.864 -10.305 668 1HD LYS 89 2HD LYS 89 -5.031 -7.729 -8.895 669 2HD LYS 89 1HD LYS 89 -4.162 -9.256 -8.727 670 1HE LYS 89 2HE LYS 89 -3.666 -9.325 -11.049 671 2HE LYS 89 1HE LYS 89 -4.766 -7.991 -11.390 672 1HZ LYS 89 1HZ LYS 89 -2.323 -7.441 -11.338 673 2HZ LYS 89 2HZ LYS 89 -2.381 -7.676 -9.663 674 3HZ LYS 89 3HZ LYS 89 -3.319 -6.467 -10.378 675 H LEU 90 H LEU 90 -9.117 -9.513 -6.294 676 HA LEU 90 HA LEU 90 -8.575 -11.783 -4.751 677 1HB LEU 90 2HB LEU 90 -9.370 -9.289 -4.174 678 2HB LEU 90 1HB LEU 90 -10.912 -10.108 -4.021 679 HG LEU 90 HG LEU 90 -9.984 -11.600 -2.321 680 1HD1 LEU 90 1HD1 LEU 90 -7.710 -11.809 -2.989 681 2HD1 LEU 90 2HD1 LEU 90 -7.707 -11.033 -1.405 682 3HD1 LEU 90 3HD1 LEU 90 -7.446 -10.069 -2.859 683 1HD2 LEU 90 1HD2 LEU 90 -10.065 -10.076 -0.591 684 2HD2 LEU 90 2HD2 LEU 90 -10.840 -9.170 -1.891 685 3HD2 LEU 90 3HD2 LEU 90 -9.151 -8.856 -1.483 686 HA PRO 91 HA PRO 91 -11.987 -14.255 -6.278 687 1HB PRO 91 2HB PRO 91 -11.108 -16.627 -5.417 688 2HB PRO 91 1HB PRO 91 -10.323 -15.793 -6.763 689 1HG PRO 91 2HG PRO 91 -9.453 -16.043 -3.923 690 2HG PRO 91 1HG PRO 91 -8.477 -16.027 -5.402 691 1HD PRO 91 2HD PRO 91 -8.909 -13.855 -3.687 692 2HD PRO 91 1HD PRO 91 -8.265 -13.762 -5.337 693 H GLU 92 H GLU 92 -13.902 -14.332 -5.299 694 HA GLU 92 HA GLU 92 -14.413 -13.975 -2.598 695 1HB GLU 92 2HB GLU 92 -16.685 -14.807 -3.109 696 2HB GLU 92 1HB GLU 92 -16.104 -13.652 -4.304 697 1HG GLU 92 2HG GLU 92 -15.481 -15.531 -5.773 698 2HG GLU 92 1HG GLU 92 -16.162 -16.645 -4.588 699 H SER 93 H SER 93 -12.876 -16.575 -3.831 700 HA SER 93 HA SER 93 -14.066 -18.548 -2.031 701 1HB SER 93 2HB SER 93 -11.900 -18.891 -4.117 702 2HB SER 93 1HB SER 93 -12.701 -20.186 -3.227 703 HG SER 93 HG SER 93 -13.742 -20.037 -5.159 704 H LEU 94 H LEU 94 -11.292 -16.506 -2.336 705 HA LEU 94 HA LEU 94 -10.244 -17.613 0.166 706 1HB LEU 94 2HB LEU 94 -8.656 -17.201 -2.356 707 2HB LEU 94 1HB LEU 94 -7.923 -17.428 -0.777 708 HG LEU 94 HG LEU 94 -9.698 -19.418 -2.198 709 1HD1 LEU 94 1HD1 LEU 94 -6.746 -19.546 -1.596 710 2HD1 LEU 94 2HD1 LEU 94 -7.440 -19.175 -3.175 711 3HD1 LEU 94 3HD1 LEU 94 -7.708 -20.757 -2.444 712 1HD2 LEU 94 1HD2 LEU 94 -8.101 -20.018 0.247 713 2HD2 LEU 94 2HD2 LEU 94 -9.559 -20.799 -0.365 714 3HD2 LEU 94 3HD2 LEU 94 -9.664 -19.219 0.409 715 H MET 95 H MET 95 -11.634 -15.348 0.246 716 HA MET 95 HA MET 95 -10.055 -13.000 -0.171 717 1HB MET 95 2HB MET 95 -12.469 -13.306 1.616 718 2HB MET 95 1HB MET 95 -11.862 -11.829 0.888 719 1HG MET 95 2HG MET 95 -12.433 -12.635 -1.322 720 2HG MET 95 1HG MET 95 -12.981 -14.165 -0.633 721 1HE MET 95 1HE MET 95 -15.002 -10.103 0.133 722 2HE MET 95 2HE MET 95 -13.362 -10.352 -0.474 723 3HE MET 95 3HE MET 95 -13.740 -10.685 1.217 724 HA PRO 96 HA PRO 96 -7.573 -13.289 3.503 725 1HB PRO 96 2HB PRO 96 -6.882 -10.653 3.723 726 2HB PRO 96 1HB PRO 96 -6.131 -11.780 2.586 727 1HG PRO 96 2HG PRO 96 -8.306 -9.779 2.111 728 2HG PRO 96 1HG PRO 96 -6.890 -10.151 1.108 729 1HD PRO 96 2HD PRO 96 -9.330 -11.111 0.513 730 2HD PRO 96 1HD PRO 96 -7.859 -12.064 0.230 731 H LYS 97 HN LYS 97 -7.270 -11.865 5.599 732 HA LYS 97 HA LYS 97 -9.833 -10.796 6.547 733 1HB LYS 97 2HB LYS 97 -8.261 -12.902 8.023 734 2HB LYS 97 1HB LYS 97 -9.727 -12.116 8.595 735 1HG LYS 97 2HG LYS 97 -10.891 -13.067 6.587 736 2HG LYS 97 1HG LYS 97 -9.431 -14.013 6.289 737 1HD LYS 97 2HD LYS 97 -10.974 -15.379 7.511 738 2HD LYS 97 1HD LYS 97 -9.645 -14.940 8.590 739 1HE LYS 97 2HE LYS 97 -10.999 -13.178 9.575 740 2HE LYS 97 1HE LYS 97 -12.319 -13.551 8.467 741 1HZ LYS 97 1HZ LYS 97 -11.564 -15.899 9.809 742 2HZ LYS 97 2HZ LYS 97 -13.041 -15.076 9.872 743 3HZ LYS 97 3HZ LYS 97 -11.807 -14.680 10.959 Start of MODEL 4 1 1H TRP 6 1H TRP 6 3.236 -7.183 -16.852 2 2H TRP 6 2H TRP 6 1.987 -8.213 -17.351 3 3H TRP 6 3H TRP 6 2.389 -8.106 -15.710 4 HA TRP 6 HA TRP 6 0.357 -6.794 -16.781 5 1HB TRP 6 2HB TRP 6 1.745 -6.868 -14.373 6 2HB TRP 6 1HB TRP 6 1.698 -5.155 -14.777 7 HD1 TRP 6 HD1 TRP 6 -0.803 -8.110 -14.448 8 HE1 TRP 6 HE1 TRP 6 -3.035 -7.166 -13.581 9 HE3 TRP 6 HE3 TRP 6 0.393 -3.138 -14.374 10 HZ2 TRP 6 HZ2 TRP 6 -4.143 -4.646 -12.955 11 HZ3 TRP 6 HZ3 TRP 6 -1.313 -1.525 -13.636 12 HH2 TRP 6 HH2 TRP 6 -3.534 -2.264 -12.942 13 H LYS 7 H LYS 7 -0.139 -4.588 -17.364 14 HA LYS 7 HA LYS 7 1.666 -3.489 -19.237 15 1HB LYS 7 2HB LYS 7 -0.768 -2.247 -17.950 16 2HB LYS 7 1HB LYS 7 0.079 -1.593 -19.345 17 1HG LYS 7 2HG LYS 7 -0.443 -3.638 -20.598 18 2HG LYS 7 1HG LYS 7 -1.339 -4.241 -19.201 19 1HD LYS 7 2HD LYS 7 -2.881 -2.382 -19.342 20 2HD LYS 7 1HD LYS 7 -1.951 -1.682 -20.671 21 1HE LYS 7 2HE LYS 7 -3.337 -4.359 -20.729 22 2HE LYS 7 1HE LYS 7 -3.953 -2.876 -21.458 23 1HZ LYS 7 1HZ LYS 7 -1.972 -2.815 -22.869 24 2HZ LYS 7 2HZ LYS 7 -2.858 -4.238 -23.108 25 3HZ LYS 7 3HZ LYS 7 -1.435 -4.271 -22.194 26 H ILE 8 H ILE 8 3.611 -2.924 -18.403 27 HA ILE 8 HA ILE 8 3.692 -0.504 -16.785 28 HB ILE 8 HB ILE 8 5.103 -3.039 -15.949 29 1HG1 ILE 8 2HG1 ILE 8 2.917 -1.472 -14.563 30 2HG1 ILE 8 1HG1 ILE 8 2.695 -3.006 -15.399 31 1HG2 ILE 8 1HG2 ILE 8 6.557 -1.744 -14.900 32 2HG2 ILE 8 2HG2 ILE 8 5.236 -1.038 -13.966 33 3HG2 ILE 8 3HG2 ILE 8 5.730 -0.302 -15.491 34 1HD1 ILE 8 1HD1 ILE 8 4.559 -3.807 -13.733 35 2HD1 ILE 8 2HD1 ILE 8 2.867 -3.720 -13.240 36 3HD1 ILE 8 3HD1 ILE 8 3.986 -2.433 -12.786 37 H THR 9 H THR 9 5.412 0.802 -17.325 38 HA THR 9 HA THR 9 7.384 -0.378 -19.178 39 HB THR 9 HB THR 9 6.716 2.561 -18.914 40 HG1 THR 9 HG1 THR 9 6.033 1.711 -21.282 41 1HG2 THR 9 1HG2 THR 9 7.915 2.562 -21.181 42 2HG2 THR 9 2HG2 THR 9 8.537 0.983 -20.703 43 3HG2 THR 9 3HG2 THR 9 8.907 2.407 -19.731 44 H ASP 10 H ASP 10 9.539 -0.124 -18.831 45 HA ASP 10 HA ASP 10 10.546 -0.116 -16.298 46 1HB ASP 10 2HB ASP 10 11.679 -0.561 -18.627 47 2HB ASP 10 1HB ASP 10 12.182 1.121 -18.480 48 H GLU 11 H GLU 11 9.985 2.664 -18.388 49 HA GLU 11 HA GLU 11 11.260 4.667 -16.988 50 1HB GLU 11 2HB GLU 11 8.833 4.535 -18.729 51 2HB GLU 11 1HB GLU 11 9.263 6.044 -17.954 52 1HG GLU 11 2HG GLU 11 11.335 6.151 -19.098 53 2HG GLU 11 1HG GLU 11 11.175 4.485 -19.662 54 H GLN 12 H GLN 12 7.828 3.667 -16.638 55 HA GLN 12 HA GLN 12 7.267 5.344 -14.489 56 1HB GLN 12 2HB GLN 12 6.147 2.691 -15.382 57 2HB GLN 12 1HB GLN 12 5.533 3.505 -13.969 58 1HG GLN 12 2HG GLN 12 4.065 4.157 -15.633 59 2HG GLN 12 1HG GLN 12 5.181 5.519 -15.513 60 1HE2 GLN 12 1HE2 GLN 12 5.586 6.314 -17.419 61 2HE2 GLN 12 2HE2 GLN 12 5.859 5.415 -18.869 62 H ARG 13 H ARG 13 8.629 2.095 -14.638 63 HA ARG 13 HA ARG 13 8.632 1.351 -11.997 64 1HB ARG 13 2HB ARG 13 9.448 -0.103 -13.764 65 2HB ARG 13 1HB ARG 13 10.823 0.954 -14.038 66 1HG ARG 13 2HG ARG 13 11.554 0.465 -11.676 67 2HG ARG 13 1HG ARG 13 10.288 -0.773 -11.634 68 1HD ARG 13 2HD ARG 13 11.319 -1.849 -13.600 69 2HD ARG 13 1HD ARG 13 12.592 -0.637 -13.592 70 HE ARG 13 HE ARG 13 13.362 -1.574 -11.507 71 1HH1 ARG 13 2HH1 ARG 13 11.057 -3.427 -13.278 72 2HH1 ARG 13 1HH1 ARG 13 11.407 -4.906 -12.462 73 1HH2 ARG 13 1HH2 ARG 13 13.903 -3.490 -10.468 74 2HH2 ARG 13 2HH2 ARG 13 13.043 -4.937 -10.865 75 H GLN 14 H GLN 14 11.243 3.221 -13.594 76 HA GLN 14 HA GLN 14 12.521 3.767 -11.092 77 1HB GLN 14 2HB GLN 14 13.207 3.928 -13.812 78 2HB GLN 14 1HB GLN 14 13.333 5.560 -13.174 79 1HG GLN 14 2HG GLN 14 15.163 5.073 -11.998 80 2HG GLN 14 1HG GLN 14 14.478 3.561 -11.405 81 1HE2 GLN 14 1HE2 GLN 14 15.501 1.824 -12.004 82 2HE2 GLN 14 2HE2 GLN 14 16.440 1.626 -13.438 83 H TYR 15 H TYR 15 10.360 5.497 -13.245 84 HA TYR 15 HA TYR 15 10.557 8.063 -12.304 85 1HB TYR 15 2HB TYR 15 9.050 7.255 -14.161 86 2HB TYR 15 1HB TYR 15 7.911 6.746 -12.916 87 HD1 TYR 15 HD1 TYR 15 6.100 8.178 -12.930 88 HD2 TYR 15 HD2 TYR 15 10.016 9.812 -13.278 89 HE1 TYR 15 HE1 TYR 15 5.155 10.448 -12.847 90 HE2 TYR 15 HE2 TYR 15 9.080 12.084 -13.196 91 HH TYR 15 HH TYR 15 7.223 13.308 -13.190 92 H TYR 16 H TYR 16 8.613 5.428 -10.916 93 HA TYR 16 HA TYR 16 7.582 7.060 -8.803 94 1HB TYR 16 2HB TYR 16 7.791 4.046 -8.866 95 2HB TYR 16 1HB TYR 16 6.722 5.005 -7.854 96 HD1 TYR 16 HD1 TYR 16 6.647 2.863 -10.444 97 HD2 TYR 16 HD2 TYR 16 5.364 6.817 -9.544 98 HE1 TYR 16 HE1 TYR 16 4.886 2.669 -12.147 99 HE2 TYR 16 HE2 TYR 16 3.598 6.637 -11.246 100 HH TYR 16 HH TYR 16 2.293 4.715 -12.344 101 H VAL 17 H VAL 17 9.966 4.420 -8.843 102 HA VAL 17 HA VAL 17 10.814 4.549 -6.221 103 HB VAL 17 HB VAL 17 12.573 4.008 -8.618 104 1HG1 VAL 17 1HG1 VAL 17 13.758 4.402 -6.467 105 2HG1 VAL 17 2HG1 VAL 17 13.976 2.773 -7.105 106 3HG1 VAL 17 3HG1 VAL 17 12.858 3.054 -5.771 107 1HG2 VAL 17 1HG2 VAL 17 10.710 2.545 -8.774 108 2HG2 VAL 17 2HG2 VAL 17 10.732 2.219 -7.041 109 3HG2 VAL 17 3HG2 VAL 17 12.025 1.604 -8.072 110 H ASN 18 H ASN 18 11.614 6.658 -8.905 111 HA ASN 18 HA ASN 18 13.871 7.952 -8.126 112 1HB ASN 18 2HB ASN 18 11.570 8.563 -9.733 113 2HB ASN 18 1HB ASN 18 12.067 9.999 -8.850 114 1HD2 ASN 18 1HD2 ASN 18 12.521 8.225 -11.593 115 2HD2 ASN 18 2HD2 ASN 18 14.052 8.863 -12.079 116 H GLN 19 H GLN 19 10.590 8.615 -6.929 117 HA GLN 19 HA GLN 19 11.692 10.374 -4.858 118 1HB GLN 19 2HB GLN 19 8.844 9.762 -5.664 119 2HB GLN 19 1HB GLN 19 9.289 10.856 -4.362 120 1HG GLN 19 2HG GLN 19 10.060 11.193 -7.250 121 2HG GLN 19 1HG GLN 19 8.730 12.027 -6.447 122 1HE2 GLN 19 1HE2 GLN 19 11.741 12.461 -7.506 123 2HE2 GLN 19 2HE2 GLN 19 12.296 13.656 -6.389 124 H PHE 20 H PHE 20 9.546 7.552 -5.136 125 HA PHE 20 HA PHE 20 9.196 7.035 -2.432 126 1HB PHE 20 2HB PHE 20 8.578 5.719 -4.842 127 2HB PHE 20 1HB PHE 20 9.369 4.542 -3.794 128 HD1 PHE 20 HD1 PHE 20 7.923 3.276 -2.534 129 HD2 PHE 20 HD2 PHE 20 6.933 7.332 -3.362 130 HE1 PHE 20 HE1 PHE 20 5.854 3.037 -1.225 131 HE2 PHE 20 HE2 PHE 20 4.864 7.098 -2.055 132 HZ PHE 20 HZ PHE 20 4.328 4.952 -0.984 133 H LYS 21 H LYS 21 12.022 6.509 -4.377 134 HA LYS 21 HA LYS 21 13.320 4.439 -3.156 135 1HB LYS 21 2HB LYS 21 15.409 5.458 -3.742 136 2HB LYS 21 1HB LYS 21 14.253 5.860 -5.001 137 1HG LYS 21 2HG LYS 21 15.424 7.837 -4.626 138 2HG LYS 21 1HG LYS 21 13.916 8.055 -3.740 139 1HD LYS 21 2HD LYS 21 15.003 7.491 -1.659 140 2HD LYS 21 1HD LYS 21 16.499 7.113 -2.511 141 1HE LYS 21 2HE LYS 21 15.186 9.825 -2.414 142 2HE LYS 21 1HE LYS 21 16.558 9.323 -1.429 143 1HZ LYS 21 1HZ LYS 21 16.459 10.002 -4.266 144 2HZ LYS 21 2HZ LYS 21 17.522 8.767 -3.811 145 3HZ LYS 21 3HZ LYS 21 17.669 10.304 -3.121 146 H THR 22 H THR 22 12.594 7.574 -1.853 147 HA THR 22 HA THR 22 14.311 7.720 0.330 148 HB THR 22 HB THR 22 11.405 8.566 0.346 149 HG1 THR 22 HG1 THR 22 12.115 9.663 -1.370 150 1HG2 THR 22 1HG2 THR 22 13.683 9.996 1.673 151 2HG2 THR 22 2HG2 THR 22 12.902 8.631 2.470 152 3HG2 THR 22 3HG2 THR 22 11.959 10.059 2.043 153 H ILE 23 H ILE 23 11.263 6.003 -0.059 154 HA ILE 23 HA ILE 23 11.500 4.869 2.633 155 HB ILE 23 HB ILE 23 9.213 4.722 0.664 156 1HG1 ILE 23 2HG1 ILE 23 9.506 6.234 3.267 157 2HG1 ILE 23 1HG1 ILE 23 9.558 6.952 1.659 158 1HG2 ILE 23 1HG2 ILE 23 9.346 2.725 2.071 159 2HG2 ILE 23 2HG2 ILE 23 7.946 3.714 2.489 160 3HG2 ILE 23 3HG2 ILE 23 9.382 3.743 3.512 161 1HD1 ILE 23 1HD1 ILE 23 7.381 7.090 2.998 162 2HD1 ILE 23 2HD1 ILE 23 7.180 5.390 2.571 163 3HD1 ILE 23 3HD1 ILE 23 7.292 6.612 1.303 164 H GLN 24 H GLN 24 11.272 3.880 -0.783 165 HA GLN 24 HA GLN 24 11.913 1.126 0.030 166 1HB GLN 24 2HB GLN 24 9.878 1.585 -1.405 167 2HB GLN 24 1HB GLN 24 10.999 1.995 -2.700 168 1HG GLN 24 2HG GLN 24 10.418 -0.244 -3.068 169 2HG GLN 24 1HG GLN 24 12.024 -0.295 -2.343 170 1HE2 GLN 24 1HE2 GLN 24 12.257 -1.782 -0.833 171 2HE2 GLN 24 2HE2 GLN 24 11.000 -2.378 0.191 172 HA PRO 25 HA PRO 25 15.744 2.912 -2.130 173 1HB PRO 25 2HB PRO 25 17.460 2.857 -0.053 174 2HB PRO 25 1HB PRO 25 16.393 4.236 -0.352 175 1HG PRO 25 2HG PRO 25 16.045 1.956 1.563 176 2HG PRO 25 1HG PRO 25 15.803 3.691 1.841 177 1HD PRO 25 2HD PRO 25 13.749 2.000 1.336 178 2HD PRO 25 1HD PRO 25 13.737 3.696 0.810 179 H ASP 26 H ASP 26 14.770 0.138 -0.471 180 HA ASP 26 HA ASP 26 16.989 -1.399 -1.624 181 1HB ASP 26 2HB ASP 26 17.160 -1.147 0.889 182 2HB ASP 26 1HB ASP 26 15.669 -2.077 1.008 183 H LEU 27 H LEU 27 16.369 -3.025 -2.872 184 HA LEU 27 HA LEU 27 13.694 -3.442 -3.605 185 1HB LEU 27 2HB LEU 27 16.064 -5.268 -3.992 186 2HB LEU 27 1HB LEU 27 14.526 -5.422 -4.816 187 HG LEU 27 HG LEU 27 14.905 -3.204 -5.865 188 1HD1 LEU 27 1HD1 LEU 27 16.357 -2.099 -4.368 189 2HD1 LEU 27 2HD1 LEU 27 17.315 -2.402 -5.817 190 3HD1 LEU 27 3HD1 LEU 27 17.520 -3.424 -4.395 191 1HD2 LEU 27 1HD2 LEU 27 15.624 -5.518 -6.775 192 2HD2 LEU 27 2HD2 LEU 27 17.263 -4.950 -6.452 193 3HD2 LEU 27 3HD2 LEU 27 16.224 -4.061 -7.566 194 H ASN 28 H ASN 28 15.573 -4.746 -1.045 195 HA ASN 28 HA ASN 28 13.674 -6.925 -0.601 196 1HB ASN 28 2HB ASN 28 16.239 -7.185 -0.439 197 2HB ASN 28 1HB ASN 28 16.097 -6.332 1.091 198 1HD2 ASN 28 1HD2 ASN 28 16.291 -9.268 -0.242 199 2HD2 ASN 28 2HD2 ASN 28 15.501 -10.208 0.969 200 H GLY 29 H GLY 29 13.061 -4.093 -0.308 201 1HA GLY 29 2HA GLY 29 12.581 -3.871 2.584 202 2HA GLY 29 1HA GLY 29 12.497 -2.549 1.427 203 H PHE 30 H PHE 30 10.488 -3.109 3.294 204 HA PHE 30 HA PHE 30 8.248 -3.575 1.479 205 1HB PHE 30 2HB PHE 30 8.294 -4.854 4.213 206 2HB PHE 30 1HB PHE 30 7.135 -5.119 2.914 207 HD1 PHE 30 HD1 PHE 30 7.427 -6.889 1.440 208 HD2 PHE 30 HD2 PHE 30 10.719 -5.552 3.782 209 HE1 PHE 30 HE1 PHE 30 8.758 -8.805 0.659 210 HE2 PHE 30 HE2 PHE 30 12.058 -7.462 3.003 211 HZ PHE 30 HZ PHE 30 11.077 -9.093 1.439 212 H ILE 31 H ILE 31 6.843 -1.936 1.665 213 HA ILE 31 HA ILE 31 6.997 -0.161 3.978 214 HB ILE 31 HB ILE 31 5.678 0.028 1.287 215 1HG1 ILE 31 2HG1 ILE 31 7.338 2.107 2.683 216 2HG1 ILE 31 1HG1 ILE 31 8.104 0.753 1.851 217 1HG2 ILE 31 1HG2 ILE 31 4.956 2.377 2.312 218 2HG2 ILE 31 2HG2 ILE 31 4.871 1.405 3.782 219 3HG2 ILE 31 3HG2 ILE 31 3.915 0.955 2.370 220 1HD1 ILE 31 1HD1 ILE 31 8.106 2.282 0.171 221 2HD1 ILE 31 2HD1 ILE 31 6.651 3.089 0.753 222 3HD1 ILE 31 3HD1 ILE 31 6.524 1.559 -0.118 223 HA PRO 32 HA PRO 32 3.561 -2.526 5.726 224 1HB PRO 32 2HB PRO 32 3.387 -0.884 7.947 225 2HB PRO 32 1HB PRO 32 4.411 -2.319 7.827 226 1HG PRO 32 2HG PRO 32 5.128 0.557 7.489 227 2HG PRO 32 1HG PRO 32 6.058 -0.753 8.240 228 1HD PRO 32 2HD PRO 32 6.618 0.165 5.769 229 2HD PRO 32 1HD PRO 32 6.821 -1.545 6.205 230 H GLY 33 H GLY 33 1.326 -1.983 6.187 231 1HA GLY 33 2HA GLY 33 0.307 0.045 4.476 232 2HA GLY 33 1HA GLY 33 -0.629 -0.887 5.633 233 H SER 34 H SER 34 2.097 1.236 6.340 234 HA SER 34 HA SER 34 0.466 2.723 8.221 235 1HB SER 34 2HB SER 34 2.587 1.923 9.047 236 2HB SER 34 1HB SER 34 3.442 2.657 7.691 237 HG SER 34 HG SER 34 3.377 3.811 9.821 238 H ALA 35 H ALA 35 3.131 3.870 6.143 239 HA ALA 35 HA ALA 35 1.803 6.408 5.821 240 1HB ALA 35 1HB ALA 35 4.245 6.211 6.152 241 2HB ALA 35 2HB ALA 35 3.814 7.120 4.704 242 3HB ALA 35 3HB ALA 35 4.368 5.453 4.564 243 H ALA 36 H ALA 36 2.306 3.565 3.862 244 HA ALA 36 HA ALA 36 2.020 4.352 1.300 245 1HB ALA 36 1HB ALA 36 2.213 2.082 1.511 246 2HB ALA 36 2HB ALA 36 0.502 2.216 1.105 247 3HB ALA 36 3HB ALA 36 0.993 1.987 2.783 248 H LYS 37 H LYS 37 -0.751 3.835 3.502 249 HA LYS 37 HA LYS 37 -2.737 4.515 1.665 250 1HB LYS 37 2HB LYS 37 -2.529 4.255 4.593 251 2HB LYS 37 1HB LYS 37 -3.839 5.252 4.007 252 1HG LYS 37 2HG LYS 37 -4.533 3.353 2.540 253 2HG LYS 37 1HG LYS 37 -3.318 2.372 3.361 254 1HD LYS 37 2HD LYS 37 -4.435 2.637 5.467 255 2HD LYS 37 1HD LYS 37 -5.556 3.813 4.776 256 1HE LYS 37 2HE LYS 37 -6.594 1.607 5.031 257 2HE LYS 37 1HE LYS 37 -6.506 2.097 3.341 258 1HZ LYS 37 1HZ LYS 37 -4.228 0.580 4.229 259 2HZ LYS 37 2HZ LYS 37 -5.181 0.387 2.845 260 3HZ LYS 37 3HZ LYS 37 -5.681 -0.285 4.315 261 H GLU 38 H GLU 38 -1.108 6.534 4.089 262 HA GLU 38 HA GLU 38 -2.508 8.915 3.497 263 1HB GLU 38 2HB GLU 38 -0.416 8.071 5.242 264 2HB GLU 38 1HB GLU 38 0.119 9.525 4.414 265 1HG GLU 38 2HG GLU 38 -2.454 9.248 5.948 266 2HG GLU 38 1HG GLU 38 -0.982 10.010 6.550 267 H PHE 39 H PHE 39 0.698 7.763 2.479 268 HA PHE 39 HA PHE 39 1.509 9.890 0.916 269 1HB PHE 39 2HB PHE 39 2.403 7.321 1.453 270 2HB PHE 39 1HB PHE 39 2.107 7.298 -0.275 271 HD1 PHE 39 HD1 PHE 39 4.402 8.169 2.270 272 HD2 PHE 39 HD2 PHE 39 3.130 9.233 -1.650 273 HE1 PHE 39 HE1 PHE 39 6.544 9.320 1.892 274 HE2 PHE 39 HE2 PHE 39 5.271 10.381 -2.036 275 HZ PHE 39 HZ PHE 39 6.980 10.426 -0.264 276 H PHE 40 H PHE 40 -0.228 6.963 -0.115 277 HA PHE 40 HA PHE 40 -0.683 7.854 -2.761 278 1HB PHE 40 2HB PHE 40 -1.737 5.662 -1.048 279 2HB PHE 40 1HB PHE 40 -2.679 6.103 -2.467 280 HD1 PHE 40 HD1 PHE 40 -2.384 4.183 -3.769 281 HD2 PHE 40 HD2 PHE 40 1.008 6.213 -2.193 282 HE1 PHE 40 HE1 PHE 40 -0.916 2.838 -5.211 283 HE2 PHE 40 HE2 PHE 40 2.485 4.867 -3.632 284 HZ PHE 40 HZ PHE 40 1.519 3.181 -5.148 285 H THR 41 H THR 41 -2.836 7.807 0.083 286 HA THR 41 HA THR 41 -5.129 8.823 -0.980 287 HB THR 41 HB THR 41 -3.889 9.398 1.703 288 HG1 THR 41 HG1 THR 41 -4.641 7.306 1.480 289 1HG2 THR 41 1HG2 THR 41 -5.306 11.307 1.174 290 2HG2 THR 41 2HG2 THR 41 -6.077 10.303 2.401 291 3HG2 THR 41 3HG2 THR 41 -6.629 10.229 0.727 292 H LYS 42 H LYS 42 -2.394 10.823 0.206 293 HA LYS 42 HA LYS 42 -3.440 13.322 -0.286 294 1HB LYS 42 2HB LYS 42 -0.624 12.320 -0.622 295 2HB LYS 42 1HB LYS 42 -1.050 14.003 -0.896 296 1HG LYS 42 2HG LYS 42 -2.117 13.777 1.495 297 2HG LYS 42 1HG LYS 42 -0.948 12.459 1.635 298 1HD LYS 42 2HD LYS 42 -0.066 14.631 2.447 299 2HD LYS 42 1HD LYS 42 0.871 13.963 1.108 300 1HE LYS 42 2HE LYS 42 -0.153 15.451 -0.453 301 2HE LYS 42 1HE LYS 42 -1.318 16.002 0.748 302 1HZ LYS 42 1HZ LYS 42 0.112 17.654 1.100 303 2HZ LYS 42 2HZ LYS 42 1.370 16.879 0.275 304 3HZ LYS 42 3HZ LYS 42 1.081 16.523 1.903 305 H SER 43 H SER 43 -2.401 10.955 -2.600 306 HA SER 43 HA SER 43 -1.922 12.426 -4.870 307 1HB SER 43 2HB SER 43 -1.778 9.973 -4.791 308 2HB SER 43 1HB SER 43 -3.536 9.868 -4.686 309 HG SER 43 HG SER 43 -2.396 9.676 -6.848 310 H LYS 44 H LYS 44 -5.071 11.434 -3.578 311 HA LYS 44 HA LYS 44 -6.631 13.531 -3.895 312 1HB LYS 44 2HB LYS 44 -5.661 12.948 -6.509 313 2HB LYS 44 1HB LYS 44 -7.385 12.616 -6.485 314 1HG LYS 44 2HG LYS 44 -7.884 14.774 -6.505 315 2HG LYS 44 1HG LYS 44 -6.798 15.106 -5.154 316 1HD LYS 44 2HD LYS 44 -6.166 16.365 -7.166 317 2HD LYS 44 1HD LYS 44 -4.908 15.229 -6.679 318 1HE LYS 44 2HE LYS 44 -5.805 13.621 -8.357 319 2HE LYS 44 1HE LYS 44 -6.911 14.882 -8.903 320 1HZ LYS 44 1HZ LYS 44 -5.134 16.198 -9.650 321 2HZ LYS 44 2HZ LYS 44 -4.777 14.635 -10.191 322 3HZ LYS 44 3HZ LYS 44 -3.977 15.266 -8.839 323 H LEU 45 H LEU 45 -6.445 10.207 -5.065 324 HA LEU 45 HA LEU 45 -9.203 9.631 -4.869 325 1HB LEU 45 2HB LEU 45 -6.759 7.875 -4.866 326 2HB LEU 45 1HB LEU 45 -8.383 7.222 -4.782 327 HG LEU 45 HG LEU 45 -7.446 8.999 -7.035 328 1HD1 LEU 45 1HD1 LEU 45 -7.101 7.030 -8.358 329 2HD1 LEU 45 2HD1 LEU 45 -7.649 5.991 -7.042 330 3HD1 LEU 45 3HD1 LEU 45 -6.133 6.879 -6.891 331 1HD2 LEU 45 1HD2 LEU 45 -9.466 8.609 -8.019 332 2HD2 LEU 45 2HD2 LEU 45 -9.959 8.505 -6.329 333 3HD2 LEU 45 3HD2 LEU 45 -9.659 7.033 -7.250 334 HA PRO 46 HA PRO 46 -9.687 9.397 -0.488 335 1HB PRO 46 2HB PRO 46 -12.050 8.061 -0.425 336 2HB PRO 46 1HB PRO 46 -11.917 9.769 -0.856 337 1HG PRO 46 2HG PRO 46 -12.166 7.387 -2.616 338 2HG PRO 46 1HG PRO 46 -12.964 8.956 -2.761 339 1HD PRO 46 2HD PRO 46 -10.809 8.259 -4.254 340 2HD PRO 46 1HD PRO 46 -11.127 9.931 -3.752 341 H ILE 47 H ILE 47 -9.175 8.025 1.142 342 HA ILE 47 HA ILE 47 -7.771 5.744 0.855 343 HB ILE 47 HB ILE 47 -9.775 6.214 3.073 344 1HG1 ILE 47 2HG1 ILE 47 -6.860 6.971 2.791 345 2HG1 ILE 47 1HG1 ILE 47 -8.231 8.073 2.877 346 1HG2 ILE 47 1HG2 ILE 47 -7.737 4.138 2.597 347 2HG2 ILE 47 2HG2 ILE 47 -9.218 4.080 3.551 348 3HG2 ILE 47 3HG2 ILE 47 -7.768 4.830 4.219 349 1HD1 ILE 47 1HD1 ILE 47 -8.647 6.971 5.183 350 2HD1 ILE 47 2HD1 ILE 47 -7.369 8.175 5.006 351 3HD1 ILE 47 3HD1 ILE 47 -6.966 6.459 5.039 352 H LEU 48 H LEU 48 -11.258 6.032 0.722 353 HA LEU 48 HA LEU 48 -12.104 3.450 1.007 354 1HB LEU 48 2HB LEU 48 -13.594 5.365 0.584 355 2HB LEU 48 1HB LEU 48 -13.067 5.396 -1.090 356 HG LEU 48 HG LEU 48 -14.049 3.191 -1.466 357 1HD1 LEU 48 1HD1 LEU 48 -13.892 2.966 1.314 358 2HD1 LEU 48 2HD1 LEU 48 -14.577 1.800 0.183 359 3HD1 LEU 48 3HD1 LEU 48 -15.616 3.006 0.942 360 1HD2 LEU 48 1HD2 LEU 48 -16.422 3.817 -1.173 361 2HD2 LEU 48 2HD2 LEU 48 -15.451 5.112 -1.874 362 3HD2 LEU 48 3HD2 LEU 48 -15.912 5.178 -0.173 363 H GLU 49 H GLU 49 -11.268 4.878 -2.197 364 HA GLU 49 HA GLU 49 -11.234 2.343 -3.462 365 1HB GLU 49 2HB GLU 49 -10.032 4.996 -4.239 366 2HB GLU 49 1HB GLU 49 -9.875 3.564 -5.245 367 1HG GLU 49 2HG GLU 49 -11.692 4.986 -6.006 368 2HG GLU 49 1HG GLU 49 -12.297 3.425 -5.452 369 H LEU 50 H LEU 50 -8.703 4.296 -1.949 370 HA LEU 50 HA LEU 50 -6.433 2.966 -2.726 371 1HB LEU 50 2HB LEU 50 -7.231 4.386 -0.253 372 2HB LEU 50 1HB LEU 50 -5.809 3.369 -0.139 373 HG LEU 50 HG LEU 50 -4.976 4.659 -2.218 374 1HD1 LEU 50 1HD1 LEU 50 -5.843 6.958 -2.374 375 2HD1 LEU 50 2HD1 LEU 50 -7.114 6.538 -1.226 376 3HD1 LEU 50 3HD1 LEU 50 -7.056 5.751 -2.802 377 1HD2 LEU 50 1HD2 LEU 50 -4.674 6.709 -0.392 378 2HD2 LEU 50 2HD2 LEU 50 -3.629 5.299 -0.562 379 3HD2 LEU 50 3HD2 LEU 50 -4.943 5.287 0.615 380 H SER 51 H SER 51 -8.601 2.026 -0.059 381 HA SER 51 HA SER 51 -7.300 -0.148 0.993 382 1HB SER 51 2HB SER 51 -9.447 -1.034 1.627 383 2HB SER 51 1HB SER 51 -9.571 0.725 1.678 384 HG SER 51 HG SER 51 -10.954 0.680 0.077 385 H HIS 52 H HIS 52 -9.561 -0.259 -1.740 386 HA HIS 52 HA HIS 52 -9.330 -2.934 -2.405 387 1HB HIS 52 2HB HIS 52 -11.011 -1.489 -3.403 388 2HB HIS 52 1HB HIS 52 -9.765 -0.549 -4.215 389 HD1 HIS 52 HD1 HIS 52 -10.688 -4.268 -4.167 390 HD2 HIS 52 HD2 HIS 52 -9.634 -1.212 -6.775 391 HE1 HIS 52 HE1 HIS 52 -10.712 -5.273 -6.486 392 H ILE 53 H ILE 53 -7.275 -0.223 -3.339 393 HA ILE 53 HA ILE 53 -5.689 -1.587 -5.235 394 HB ILE 53 HB ILE 53 -4.839 0.669 -3.404 395 1HG1 ILE 53 2HG1 ILE 53 -6.122 0.748 -6.147 396 2HG1 ILE 53 1HG1 ILE 53 -6.874 1.248 -4.636 397 1HG2 ILE 53 1HG2 ILE 53 -3.430 -0.847 -5.350 398 2HG2 ILE 53 2HG2 ILE 53 -2.866 0.531 -4.405 399 3HG2 ILE 53 3HG2 ILE 53 -3.640 0.792 -5.968 400 1HD1 ILE 53 1HD1 ILE 53 -5.172 3.015 -4.414 401 2HD1 ILE 53 2HD1 ILE 53 -6.158 3.180 -5.867 402 3HD1 ILE 53 3HD1 ILE 53 -4.518 2.541 -5.981 403 H TRP 54 H TRP 54 -5.350 -1.166 -1.719 404 HA TRP 54 HA TRP 54 -2.833 -2.305 -1.397 405 1HB TRP 54 2HB TRP 54 -4.005 -1.230 0.454 406 2HB TRP 54 1HB TRP 54 -5.194 -2.536 0.478 407 HD1 TRP 54 HD1 TRP 54 -4.419 -4.891 1.500 408 HE1 TRP 54 HE1 TRP 54 -2.412 -5.558 2.969 409 HE3 TRP 54 HE3 TRP 54 -1.565 -0.689 0.938 410 HZ2 TRP 54 HZ2 TRP 54 0.053 -4.442 3.790 411 HZ3 TRP 54 HZ3 TRP 54 0.600 -0.564 2.094 412 HH2 TRP 54 HH2 TRP 54 1.394 -2.401 3.488 413 H GLU 55 H GLU 55 -5.974 -4.002 -1.173 414 HA GLU 55 HA GLU 55 -4.953 -6.541 -0.723 415 1HB GLU 55 2HB GLU 55 -7.081 -7.358 -1.829 416 2HB GLU 55 1HB GLU 55 -7.277 -6.251 -0.477 417 1HG GLU 55 2HG GLU 55 -7.657 -4.413 -2.025 418 2HG GLU 55 1HG GLU 55 -7.429 -5.509 -3.390 419 H LEU 56 H LEU 56 -5.704 -5.013 -3.833 420 HA LEU 56 HA LEU 56 -4.959 -7.135 -5.491 421 1HB LEU 56 2HB LEU 56 -5.014 -4.156 -5.896 422 2HB LEU 56 1HB LEU 56 -4.609 -5.263 -7.190 423 HG LEU 56 HG LEU 56 -7.200 -5.411 -5.657 424 1HD1 LEU 56 1HD1 LEU 56 -6.610 -3.285 -7.162 425 2HD1 LEU 56 2HD1 LEU 56 -8.224 -3.996 -7.094 426 3HD1 LEU 56 3HD1 LEU 56 -7.143 -4.390 -8.431 427 1HD2 LEU 56 1HD2 LEU 56 -6.584 -7.478 -6.730 428 2HD2 LEU 56 2HD2 LEU 56 -6.239 -6.633 -8.239 429 3HD2 LEU 56 3HD2 LEU 56 -7.895 -6.726 -7.639 430 H SER 57 H SER 57 -3.004 -4.383 -4.320 431 HA SER 57 HA SER 57 -0.622 -5.340 -5.619 432 1HB SER 57 2HB SER 57 -1.320 -3.035 -3.908 433 2HB SER 57 1HB SER 57 0.337 -3.615 -3.738 434 HG SER 57 HG SER 57 0.778 -2.732 -5.582 435 H ASP 58 H ASP 58 -2.163 -5.896 -2.586 436 HA ASP 58 HA ASP 58 0.242 -7.094 -1.421 437 1HB ASP 58 2HB ASP 58 -1.381 -5.549 -0.142 438 2HB ASP 58 1HB ASP 58 -2.463 -6.935 -0.112 439 H PHE 59 H PHE 59 -0.448 -8.521 -3.551 440 HA PHE 59 HA PHE 59 -2.368 -10.511 -3.328 441 1HB PHE 59 2HB PHE 59 -0.158 -9.941 -5.025 442 2HB PHE 59 1HB PHE 59 -0.072 -11.641 -4.579 443 HD1 PHE 59 HD1 PHE 59 -1.838 -9.127 -6.489 444 HD2 PHE 59 HD2 PHE 59 -1.960 -13.148 -5.099 445 HE1 PHE 59 HE1 PHE 59 -3.580 -9.644 -8.149 446 HE2 PHE 59 HE2 PHE 59 -3.699 -13.672 -6.758 447 HZ PHE 59 HZ PHE 59 -4.511 -11.919 -8.286 448 H ASP 60 H ASP 60 0.264 -10.061 -1.307 449 HA ASP 60 HA ASP 60 0.536 -12.906 -0.677 450 1HB ASP 60 2HB ASP 60 2.386 -12.063 0.842 451 2HB ASP 60 1HB ASP 60 2.638 -11.781 -0.880 452 H LYS 61 H LYS 61 -0.577 -9.869 0.711 453 HA LYS 61 HA LYS 61 -2.006 -9.461 2.438 454 1HB LYS 61 2HB LYS 61 -2.476 -12.254 1.833 455 2HB LYS 61 1HB LYS 61 -2.685 -11.928 3.546 456 1HG LYS 61 2HG LYS 61 -4.771 -11.739 2.259 457 2HG LYS 61 1HG LYS 61 -4.329 -10.247 3.086 458 1HD LYS 61 2HD LYS 61 -5.145 -9.811 0.825 459 2HD LYS 61 1HD LYS 61 -3.459 -9.334 1.005 460 1HE LYS 61 2HE LYS 61 -2.720 -11.315 -0.143 461 2HE LYS 61 1HE LYS 61 -4.366 -11.949 -0.195 462 1HZ LYS 61 1HZ LYS 61 -4.719 -9.607 -1.387 463 2HZ LYS 61 2HZ LYS 61 -4.320 -11.011 -2.238 464 3HZ LYS 61 3HZ LYS 61 -3.115 -9.895 -1.834 465 H ASP 62 H ASP 62 0.613 -9.228 3.019 466 HA ASP 62 HA ASP 62 1.084 -10.681 5.529 467 1HB ASP 62 2HB ASP 62 3.356 -9.910 5.345 468 2HB ASP 62 1HB ASP 62 2.872 -10.540 3.769 469 H GLY 63 H GLY 63 1.104 -7.388 4.212 470 1HA GLY 63 2HA GLY 63 -0.268 -5.844 5.809 471 2HA GLY 63 1HA GLY 63 1.000 -6.291 6.945 472 H ALA 64 H ALA 64 2.919 -6.460 4.670 473 HA ALA 64 HA ALA 64 3.392 -3.574 4.349 474 1HB ALA 64 1HB ALA 64 5.759 -4.019 4.378 475 2HB ALA 64 2HB ALA 64 5.467 -5.756 4.454 476 3HB ALA 64 3HB ALA 64 5.017 -4.726 5.813 477 H LEU 65 H LEU 65 4.080 -2.798 2.401 478 HA LEU 65 HA LEU 65 3.541 -4.520 0.113 479 1HB LEU 65 2HB LEU 65 3.198 -1.710 0.717 480 2HB LEU 65 1HB LEU 65 4.066 -1.932 -0.788 481 HG LEU 65 HG LEU 65 2.241 -3.256 -1.692 482 1HD1 LEU 65 1HD1 LEU 65 0.153 -2.812 0.110 483 2HD1 LEU 65 2HD1 LEU 65 1.494 -3.446 1.065 484 3HD1 LEU 65 3HD1 LEU 65 0.892 -4.353 -0.323 485 1HD2 LEU 65 1HD2 LEU 65 1.393 -1.325 -2.376 486 2HD2 LEU 65 2HD2 LEU 65 2.099 -0.508 -0.981 487 3HD2 LEU 65 3HD2 LEU 65 0.481 -1.201 -0.871 488 H THR 66 H THR 66 5.182 -5.416 -0.914 489 HA THR 66 HA THR 66 7.893 -4.498 -0.478 490 HB THR 66 HB THR 66 7.533 -6.900 -0.648 491 HG1 THR 66 HG1 THR 66 9.537 -6.213 -1.401 492 1HG2 THR 66 1HG2 THR 66 6.582 -7.983 -2.478 493 2HG2 THR 66 2HG2 THR 66 6.846 -6.607 -3.551 494 3HG2 THR 66 3HG2 THR 66 5.589 -6.536 -2.320 495 H LEU 67 H LEU 67 9.324 -3.898 -2.221 496 HA LEU 67 HA LEU 67 8.543 -1.803 -3.738 497 1HB LEU 67 2HB LEU 67 10.871 -2.471 -3.502 498 2HB LEU 67 1HB LEU 67 10.592 -3.888 -4.492 499 HG LEU 67 HG LEU 67 11.790 -2.074 -5.680 500 1HD1 LEU 67 1HD1 LEU 67 9.910 -3.743 -6.644 501 2HD1 LEU 67 2HD1 LEU 67 10.857 -2.642 -7.644 502 3HD1 LEU 67 3HD1 LEU 67 9.232 -2.188 -7.128 503 1HD2 LEU 67 1HD2 LEU 67 10.543 -0.227 -4.513 504 2HD2 LEU 67 2HD2 LEU 67 9.187 -0.567 -5.588 505 3HD2 LEU 67 3HD2 LEU 67 10.730 -0.033 -6.255 506 H ASP 68 H ASP 68 8.237 -5.214 -4.634 507 HA ASP 68 HA ASP 68 7.370 -4.809 -7.289 508 1HB ASP 68 2HB ASP 68 7.760 -6.991 -5.529 509 2HB ASP 68 1HB ASP 68 6.105 -7.105 -6.109 510 H GLU 69 H GLU 69 5.562 -5.204 -4.265 511 HA GLU 69 HA GLU 69 2.978 -4.912 -5.363 512 1HB GLU 69 2HB GLU 69 3.929 -4.142 -2.586 513 2HB GLU 69 1HB GLU 69 2.260 -4.427 -3.064 514 1HG GLU 69 2HG GLU 69 2.826 -6.766 -3.560 515 2HG GLU 69 1HG GLU 69 4.471 -6.461 -3.025 516 H PHE 70 H PHE 70 5.372 -2.669 -4.130 517 HA PHE 70 HA PHE 70 3.922 -0.277 -4.193 518 1HB PHE 70 2HB PHE 70 6.031 -0.265 -3.097 519 2HB PHE 70 1HB PHE 70 6.849 -0.925 -4.505 520 HD1 PHE 70 HD1 PHE 70 4.449 1.802 -4.897 521 HD2 PHE 70 HD2 PHE 70 8.553 0.777 -4.396 522 HE1 PHE 70 HE1 PHE 70 5.100 4.063 -5.624 523 HE2 PHE 70 HE2 PHE 70 9.207 3.028 -5.133 524 HZ PHE 70 HZ PHE 70 7.484 4.678 -5.740 525 H CYS 71 H CYS 71 6.132 -1.596 -6.650 526 HA CYS 71 HA CYS 71 5.708 0.336 -8.612 527 1HB CYS 71 2HB CYS 71 6.805 -2.401 -8.519 528 2HB CYS 71 1HB CYS 71 6.251 -1.878 -10.103 529 HG CYS 71 HG CYS 71 9.034 -1.499 -9.858 530 H ALA 72 H ALA 72 4.118 -2.850 -8.297 531 HA ALA 72 HA ALA 72 2.351 -2.496 -10.461 532 1HB ALA 72 1HB ALA 72 1.239 -4.077 -8.285 533 2HB ALA 72 2HB ALA 72 2.901 -4.522 -8.672 534 3HB ALA 72 3HB ALA 72 1.663 -4.557 -9.928 535 H ALA 73 H ALA 73 2.140 -1.623 -7.064 536 HA ALA 73 HA ALA 73 -0.564 -0.902 -6.948 537 1HB ALA 73 1HB ALA 73 1.783 0.170 -5.387 538 2HB ALA 73 2HB ALA 73 0.747 -1.186 -4.945 539 3HB ALA 73 3HB ALA 73 0.089 0.449 -4.981 540 H PHE 74 H PHE 74 2.271 1.249 -7.420 541 HA PHE 74 HA PHE 74 0.735 3.570 -7.809 542 1HB PHE 74 2HB PHE 74 3.356 3.171 -7.488 543 2HB PHE 74 1HB PHE 74 3.334 3.357 -9.240 544 HD1 PHE 74 HD1 PHE 74 3.944 5.083 -6.389 545 HD2 PHE 74 HD2 PHE 74 1.563 5.389 -9.902 546 HE1 PHE 74 HE1 PHE 74 3.839 7.524 -6.101 547 HE2 PHE 74 HE2 PHE 74 1.458 7.832 -9.625 548 HZ PHE 74 HZ PHE 74 2.595 8.901 -7.721 549 H HIS 75 H HIS 75 2.066 1.263 -10.187 550 HA HIS 75 HA HIS 75 1.206 2.624 -12.497 551 1HB HIS 75 2HB HIS 75 2.530 0.259 -11.919 552 2HB HIS 75 1HB HIS 75 1.046 -0.280 -12.678 553 HD1 HIS 75 HD1 HIS 75 0.565 1.280 -15.043 554 HD2 HIS 75 HD2 HIS 75 4.452 0.650 -13.728 555 HE1 HIS 75 HE1 HIS 75 2.064 1.691 -17.035 556 H LEU 76 H LEU 76 -0.322 -0.083 -10.749 557 HA LEU 76 HA LEU 76 -2.647 -0.323 -12.178 558 1HB LEU 76 2HB LEU 76 -1.814 -1.670 -10.182 559 2HB LEU 76 1HB LEU 76 -2.530 -0.429 -9.171 560 HG LEU 76 HG LEU 76 -4.035 -2.110 -11.155 561 1HD1 LEU 76 1HD1 LEU 76 -3.379 -3.561 -9.417 562 2HD1 LEU 76 2HD1 LEU 76 -5.033 -3.081 -9.036 563 3HD1 LEU 76 3HD1 LEU 76 -3.680 -2.339 -8.182 564 1HD2 LEU 76 1HD2 LEU 76 -5.098 0.024 -10.854 565 2HD2 LEU 76 2HD2 LEU 76 -4.949 -0.107 -9.102 566 3HD2 LEU 76 3HD2 LEU 76 -6.022 -1.197 -9.979 567 H VAL 77 H VAL 77 -2.066 1.820 -9.389 568 HA VAL 77 HA VAL 77 -4.530 3.046 -9.226 569 HB VAL 77 HB VAL 77 -1.847 4.388 -8.859 570 1HG1 VAL 77 1HG1 VAL 77 -4.614 5.139 -7.927 571 2HG1 VAL 77 2HG1 VAL 77 -3.564 6.050 -9.012 572 3HG1 VAL 77 3HG1 VAL 77 -3.132 5.869 -7.311 573 1HG2 VAL 77 1HG2 VAL 77 -3.443 3.461 -6.550 574 2HG2 VAL 77 2HG2 VAL 77 -1.694 3.489 -6.785 575 3HG2 VAL 77 3HG2 VAL 77 -2.663 2.212 -7.522 576 H VAL 78 H VAL 78 -1.799 3.903 -11.298 577 HA VAL 78 HA VAL 78 -2.679 6.230 -12.433 578 HB VAL 78 HB VAL 78 -1.299 3.927 -13.805 579 1HG1 VAL 78 1HG1 VAL 78 -0.414 6.147 -15.073 580 2HG1 VAL 78 2HG1 VAL 78 -2.088 6.601 -14.751 581 3HG1 VAL 78 3HG1 VAL 78 -1.730 5.133 -15.662 582 1HG2 VAL 78 1HG2 VAL 78 0.114 6.381 -12.927 583 2HG2 VAL 78 2HG2 VAL 78 0.681 4.712 -13.007 584 3HG2 VAL 78 3HG2 VAL 78 -0.370 5.226 -11.687 585 H ALA 79 H ALA 79 -3.577 2.927 -13.409 586 HA ALA 79 HA ALA 79 -5.030 3.398 -15.679 587 1HB ALA 79 1HB ALA 79 -6.060 1.511 -13.581 588 2HB ALA 79 2HB ALA 79 -4.568 1.190 -14.464 589 3HB ALA 79 3HB ALA 79 -6.093 1.340 -15.336 590 H ARG 80 H ARG 80 -6.178 3.785 -12.340 591 HA ARG 80 HA ARG 80 -8.852 4.331 -12.795 592 1HB ARG 80 2HB ARG 80 -7.557 4.088 -10.586 593 2HB ARG 80 1HB ARG 80 -7.241 5.810 -10.720 594 1HG ARG 80 2HG ARG 80 -9.217 5.069 -9.286 595 2HG ARG 80 1HG ARG 80 -9.510 6.355 -10.461 596 1HD ARG 80 2HD ARG 80 -10.860 5.091 -11.720 597 2HD ARG 80 1HD ARG 80 -9.909 3.631 -11.476 598 HE ARG 80 HE ARG 80 -11.543 3.030 -9.993 599 1HH1 ARG 80 2HH1 ARG 80 -11.246 6.472 -9.860 600 2HH1 ARG 80 1HH1 ARG 80 -12.487 6.658 -8.679 601 1HH2 ARG 80 1HH2 ARG 80 -13.215 3.262 -8.540 602 2HH2 ARG 80 2HH2 ARG 80 -13.594 4.830 -7.899 603 H LYS 81 H LYS 81 -6.100 6.335 -13.491 604 HA LYS 81 HA LYS 81 -7.666 8.746 -13.707 605 1HB LYS 81 2HB LYS 81 -4.785 8.091 -14.058 606 2HB LYS 81 1HB LYS 81 -5.416 9.546 -14.826 607 1HG LYS 81 2HG LYS 81 -5.631 8.872 -11.900 608 2HG LYS 81 1HG LYS 81 -4.527 10.053 -12.623 609 1HD LYS 81 2HD LYS 81 -6.195 11.545 -13.074 610 2HD LYS 81 1HD LYS 81 -7.418 10.288 -13.250 611 1HE LYS 81 2HE LYS 81 -7.257 9.954 -10.759 612 2HE LYS 81 1HE LYS 81 -6.280 11.424 -10.710 613 1HZ LYS 81 1HZ LYS 81 -9.128 11.113 -11.143 614 2HZ LYS 81 2HZ LYS 81 -8.374 12.235 -12.157 615 3HZ LYS 81 3HZ LYS 81 -8.272 12.410 -10.477 616 H ASN 82 H ASN 82 -6.924 6.153 -15.786 617 HA ASN 82 HA ASN 82 -8.534 7.252 -17.846 618 1HB ASN 82 2HB ASN 82 -5.573 7.421 -18.183 619 2HB ASN 82 1HB ASN 82 -6.574 7.061 -19.587 620 1HD2 ASN 82 1HD2 ASN 82 -5.240 9.487 -17.772 621 2HD2 ASN 82 2HD2 ASN 82 -6.224 10.795 -18.311 622 H GLY 83 H GLY 83 -9.063 5.010 -16.724 623 1HA GLY 83 2HA GLY 83 -8.829 3.089 -18.832 624 2HA GLY 83 1HA GLY 83 -7.873 2.639 -17.426 625 H TYR 84 H TYR 84 -9.163 0.805 -17.059 626 HA TYR 84 HA TYR 84 -11.984 1.129 -16.561 627 1HB TYR 84 2HB TYR 84 -10.123 -1.144 -16.786 628 2HB TYR 84 1HB TYR 84 -11.439 -1.364 -15.633 629 HD1 TYR 84 HD1 TYR 84 -10.917 -0.116 -19.113 630 HD2 TYR 84 HD2 TYR 84 -13.406 -2.262 -16.413 631 HE1 TYR 84 HE1 TYR 84 -12.475 -0.603 -20.949 632 HE2 TYR 84 HE2 TYR 84 -14.972 -2.764 -18.244 633 HH TYR 84 HH TYR 84 -15.022 -1.142 -21.089 634 H ASP 85 H ASP 85 -12.986 1.363 -14.670 635 HA ASP 85 HA ASP 85 -11.480 1.999 -12.335 636 1HB ASP 85 2HB ASP 85 -13.554 3.131 -12.534 637 2HB ASP 85 1HB ASP 85 -14.428 1.630 -12.852 638 H LEU 86 H LEU 86 -11.764 0.875 -10.242 639 HA LEU 86 HA LEU 86 -11.899 -2.035 -10.678 640 1HB LEU 86 2HB LEU 86 -10.549 -0.536 -8.439 641 2HB LEU 86 1HB LEU 86 -10.516 -2.268 -8.706 642 HG LEU 86 HG LEU 86 -9.563 -0.909 -11.058 643 1HD1 LEU 86 1HD1 LEU 86 -8.636 0.104 -8.451 644 2HD1 LEU 86 2HD1 LEU 86 -8.591 0.865 -10.040 645 3HD1 LEU 86 3HD1 LEU 86 -7.366 -0.324 -9.596 646 1HD2 LEU 86 1HD2 LEU 86 -9.034 -3.180 -10.707 647 2HD2 LEU 86 2HD2 LEU 86 -8.457 -2.872 -9.070 648 3HD2 LEU 86 3HD2 LEU 86 -7.525 -2.304 -10.455 649 HA PRO 87 HA PRO 87 -15.742 -1.418 -8.276 650 1HB PRO 87 2HB PRO 87 -16.629 -3.973 -8.771 651 2HB PRO 87 1HB PRO 87 -16.942 -2.590 -9.822 652 1HG PRO 87 2HG PRO 87 -14.873 -4.732 -10.076 653 2HG PRO 87 1HG PRO 87 -15.860 -3.970 -11.337 654 1HD PRO 87 2HD PRO 87 -13.284 -3.296 -10.951 655 2HD PRO 87 1HD PRO 87 -14.504 -2.104 -11.450 656 H GLU 88 H GLU 88 -14.519 -4.767 -8.256 657 HA GLU 88 HA GLU 88 -13.136 -5.040 -5.991 658 1HB GLU 88 2HB GLU 88 -15.019 -3.747 -4.894 659 2HB GLU 88 1HB GLU 88 -16.037 -5.154 -5.132 660 1HG GLU 88 2HG GLU 88 -13.511 -5.045 -3.496 661 2HG GLU 88 1HG GLU 88 -15.159 -5.029 -2.869 662 H LYS 89 H LYS 89 -12.828 -6.651 -7.844 663 HA LYS 89 HA LYS 89 -14.463 -9.087 -7.451 664 1HB LYS 89 2HB LYS 89 -12.984 -8.022 -9.846 665 2HB LYS 89 1HB LYS 89 -13.458 -9.708 -9.731 666 1HG LYS 89 2HG LYS 89 -15.628 -7.821 -9.200 667 2HG LYS 89 1HG LYS 89 -14.958 -7.741 -10.834 668 1HD LYS 89 2HD LYS 89 -15.775 -10.313 -9.503 669 2HD LYS 89 1HD LYS 89 -16.851 -9.369 -10.544 670 1HE LYS 89 2HE LYS 89 -15.358 -9.606 -12.404 671 2HE LYS 89 1HE LYS 89 -14.132 -10.359 -11.391 672 1HZ LYS 89 1HZ LYS 89 -16.701 -11.695 -11.419 673 2HZ LYS 89 2HZ LYS 89 -15.140 -12.341 -11.505 674 3HZ LYS 89 3HZ LYS 89 -15.871 -11.710 -12.894 675 H LEU 90 H LEU 90 -11.946 -8.167 -5.997 676 HA LEU 90 HA LEU 90 -9.873 -9.939 -6.864 677 1HB LEU 90 2HB LEU 90 -9.177 -7.977 -5.812 678 2HB LEU 90 1HB LEU 90 -10.275 -8.195 -4.466 679 HG LEU 90 HG LEU 90 -8.125 -10.217 -4.852 680 1HD1 LEU 90 1HD1 LEU 90 -6.685 -8.439 -5.029 681 2HD1 LEU 90 2HD1 LEU 90 -6.796 -8.588 -3.275 682 3HD1 LEU 90 3HD1 LEU 90 -7.738 -7.357 -4.115 683 1HD2 LEU 90 1HD2 LEU 90 -8.242 -10.325 -2.449 684 2HD2 LEU 90 2HD2 LEU 90 -9.880 -10.406 -3.098 685 3HD2 LEU 90 3HD2 LEU 90 -9.282 -8.902 -2.396 686 HA PRO 91 HA PRO 91 -11.177 -12.617 -3.118 687 1HB PRO 91 2HB PRO 91 -13.308 -11.963 -1.657 688 2HB PRO 91 1HB PRO 91 -11.769 -11.116 -1.451 689 1HG PRO 91 2HG PRO 91 -14.208 -10.265 -2.965 690 2HG PRO 91 1HG PRO 91 -13.175 -9.312 -1.883 691 1HD PRO 91 2HD PRO 91 -12.987 -9.295 -4.630 692 2HD PRO 91 1HD PRO 91 -11.657 -8.877 -3.532 693 H GLU 92 H GLU 92 -12.734 -14.339 -2.683 694 HA GLU 92 HA GLU 92 -14.006 -15.342 -4.939 695 1HB GLU 92 2HB GLU 92 -14.710 -15.950 -2.062 696 2HB GLU 92 1HB GLU 92 -14.992 -16.990 -3.454 697 1HG GLU 92 2HG GLU 92 -12.587 -17.217 -3.776 698 2HG GLU 92 1HG GLU 92 -12.300 -16.157 -2.397 699 H SER 93 H SER 93 -15.155 -13.227 -2.448 700 HA SER 93 HA SER 93 -17.663 -12.829 -3.913 701 1HB SER 93 2HB SER 93 -18.368 -14.262 -2.146 702 2HB SER 93 1HB SER 93 -17.387 -13.397 -0.960 703 HG SER 93 HG SER 93 -19.911 -12.950 -1.628 704 H LEU 94 H LEU 94 -17.755 -11.315 -0.937 705 HA LEU 94 HA LEU 94 -16.552 -8.862 -2.032 706 1HB LEU 94 2HB LEU 94 -19.058 -9.092 -0.373 707 2HB LEU 94 1HB LEU 94 -18.298 -7.583 -0.849 708 HG LEU 94 HG LEU 94 -18.627 -8.276 -3.242 709 1HD1 LEU 94 1HD1 LEU 94 -19.879 -10.576 -1.854 710 2HD1 LEU 94 2HD1 LEU 94 -18.992 -10.514 -3.377 711 3HD1 LEU 94 3HD1 LEU 94 -20.669 -9.974 -3.312 712 1HD2 LEU 94 1HD2 LEU 94 -20.474 -7.225 -1.352 713 2HD2 LEU 94 2HD2 LEU 94 -21.359 -8.192 -2.533 714 3HD2 LEU 94 3HD2 LEU 94 -20.324 -6.869 -3.073 715 H MET 95 H MET 95 -14.867 -10.218 -0.738 716 HA MET 95 HA MET 95 -14.491 -10.550 1.851 717 1HB MET 95 2HB MET 95 -12.812 -9.845 -0.316 718 2HB MET 95 1HB MET 95 -12.308 -8.881 1.064 719 1HG MET 95 2HG MET 95 -12.403 -11.859 0.802 720 2HG MET 95 1HG MET 95 -11.022 -10.823 1.140 721 1HE MET 95 1HE MET 95 -10.032 -11.728 3.186 722 2HE MET 95 2HE MET 95 -11.017 -13.161 2.919 723 3HE MET 95 3HE MET 95 -10.917 -12.447 4.531 724 HA PRO 96 HA PRO 96 -15.878 -6.471 3.415 725 1HB PRO 96 2HB PRO 96 -16.484 -7.368 5.905 726 2HB PRO 96 1HB PRO 96 -17.583 -7.527 4.528 727 1HG PRO 96 2HG PRO 96 -15.713 -9.550 5.701 728 2HG PRO 96 1HG PRO 96 -17.394 -9.756 5.176 729 1HD PRO 96 2HD PRO 96 -15.305 -10.522 3.645 730 2HD PRO 96 1HD PRO 96 -16.811 -9.897 2.943 731 H LYS 97 HN LYS 97 -13.213 -6.622 3.128 732 HA LYS 97 HA LYS 97 -12.110 -6.259 5.840 733 1HB LYS 97 2HB LYS 97 -10.980 -7.365 3.345 734 2HB LYS 97 1HB LYS 97 -9.900 -6.349 4.291 735 1HG LYS 97 2HG LYS 97 -11.249 -8.172 6.031 736 2HG LYS 97 1HG LYS 97 -10.520 -9.059 4.689 737 1HD LYS 97 2HD LYS 97 -8.365 -8.159 5.160 738 2HD LYS 97 1HD LYS 97 -9.032 -7.007 6.318 739 1HE LYS 97 2HE LYS 97 -9.070 -10.008 6.628 740 2HE LYS 97 1HE LYS 97 -7.915 -8.924 7.402 741 1HZ LYS 97 1HZ LYS 97 -10.419 -9.671 8.332 742 2HZ LYS 97 2HZ LYS 97 -10.546 -8.039 7.909 743 3HZ LYS 97 3HZ LYS 97 -9.365 -8.536 9.013 Start of MODEL 5 1 1H TRP 6 1H TRP 6 -0.897 -0.782 -21.465 2 2H TRP 6 2H TRP 6 0.696 -0.238 -21.668 3 3H TRP 6 3H TRP 6 -0.396 0.662 -20.735 4 HA TRP 6 HA TRP 6 0.142 -0.431 -18.922 5 1HB TRP 6 2HB TRP 6 -0.599 -2.792 -20.639 6 2HB TRP 6 1HB TRP 6 -0.082 -2.993 -18.967 7 HD1 TRP 6 HD1 TRP 6 -3.064 -1.972 -21.057 8 HE1 TRP 6 HE1 TRP 6 -5.059 -1.484 -19.501 9 HE3 TRP 6 HE3 TRP 6 -0.627 -2.038 -16.568 10 HZ2 TRP 6 HZ2 TRP 6 -5.532 -1.162 -16.734 11 HZ3 TRP 6 HZ3 TRP 6 -1.917 -1.625 -14.514 12 HH2 TRP 6 HH2 TRP 6 -4.318 -1.197 -14.596 13 H LYS 7 H LYS 7 1.583 -2.619 -18.248 14 HA LYS 7 HA LYS 7 3.678 -3.498 -18.086 15 1HB LYS 7 2HB LYS 7 3.356 -3.813 -20.628 16 2HB LYS 7 1HB LYS 7 4.365 -2.382 -20.796 17 1HG LYS 7 2HG LYS 7 6.045 -3.630 -19.313 18 2HG LYS 7 1HG LYS 7 5.091 -5.067 -19.688 19 1HD LYS 7 2HD LYS 7 5.417 -4.591 -22.102 20 2HD LYS 7 1HD LYS 7 6.473 -3.247 -21.658 21 1HE LYS 7 2HE LYS 7 7.846 -4.937 -20.361 22 2HE LYS 7 1HE LYS 7 6.901 -6.186 -21.170 23 1HZ LYS 7 1HZ LYS 7 8.647 -6.005 -22.595 24 2HZ LYS 7 2HZ LYS 7 8.905 -4.362 -22.279 25 3HZ LYS 7 3HZ LYS 7 7.628 -4.841 -23.280 26 H ILE 8 H ILE 8 5.251 -2.660 -16.874 27 HA ILE 8 HA ILE 8 5.558 0.142 -16.606 28 HB ILE 8 HB ILE 8 7.437 -1.969 -15.562 29 1HG1 ILE 8 2HG1 ILE 8 4.907 -0.869 -14.322 30 2HG1 ILE 8 1HG1 ILE 8 5.081 -2.481 -15.010 31 1HG2 ILE 8 1HG2 ILE 8 6.735 0.595 -14.198 32 2HG2 ILE 8 2HG2 ILE 8 7.912 0.603 -15.511 33 3HG2 ILE 8 3HG2 ILE 8 8.204 -0.376 -14.074 34 1HD1 ILE 8 1HD1 ILE 8 5.601 -3.140 -12.967 35 2HD1 ILE 8 2HD1 ILE 8 5.810 -1.481 -12.403 36 3HD1 ILE 8 3HD1 ILE 8 7.146 -2.319 -13.198 37 H THR 9 H THR 9 7.072 1.544 -17.363 38 HA THR 9 HA THR 9 8.904 0.463 -19.389 39 HB THR 9 HB THR 9 8.492 3.406 -18.958 40 HG1 THR 9 HG1 THR 9 6.385 2.535 -19.243 41 1HG2 THR 9 1HG2 THR 9 8.684 2.914 -21.642 42 2HG2 THR 9 2HG2 THR 9 9.697 1.640 -20.963 43 3HG2 THR 9 3HG2 THR 9 10.039 3.328 -20.589 44 H ASP 10 H ASP 10 11.011 0.350 -19.021 45 HA ASP 10 HA ASP 10 12.264 0.645 -16.628 46 1HB ASP 10 2HB ASP 10 13.084 -0.109 -19.068 47 2HB ASP 10 1HB ASP 10 13.853 1.474 -19.003 48 H GLU 11 H GLU 11 11.841 3.174 -19.085 49 HA GLU 11 HA GLU 11 13.312 5.202 -17.781 50 1HB GLU 11 2HB GLU 11 11.691 4.948 -20.108 51 2HB GLU 11 1HB GLU 11 11.082 6.322 -19.193 52 1HG GLU 11 2HG GLU 11 13.982 5.961 -19.885 53 2HG GLU 11 1HG GLU 11 12.839 6.833 -20.907 54 H GLN 12 H GLN 12 9.968 4.201 -17.677 55 HA GLN 12 HA GLN 12 8.988 6.169 -15.897 56 1HB GLN 12 2HB GLN 12 8.044 3.874 -17.302 57 2HB GLN 12 1HB GLN 12 7.571 3.709 -15.619 58 1HG GLN 12 2HG GLN 12 6.228 5.579 -15.674 59 2HG GLN 12 1HG GLN 12 7.073 6.272 -17.062 60 1HE2 GLN 12 1HE2 GLN 12 5.604 6.425 -18.612 61 2HE2 GLN 12 2HE2 GLN 12 4.578 5.146 -19.151 62 H ARG 13 H ARG 13 10.482 3.018 -15.507 63 HA ARG 13 HA ARG 13 9.985 2.328 -12.931 64 1HB ARG 13 2HB ARG 13 11.488 1.208 -14.675 65 2HB ARG 13 1HB ARG 13 12.766 2.258 -14.094 66 1HG ARG 13 2HG ARG 13 11.457 0.855 -11.924 67 2HG ARG 13 1HG ARG 13 12.131 -0.244 -13.127 68 1HD ARG 13 2HD ARG 13 13.521 1.774 -11.418 69 2HD ARG 13 1HD ARG 13 13.924 0.084 -11.703 70 HE ARG 13 HE ARG 13 14.947 2.264 -13.128 71 1HH1 ARG 13 2HH1 ARG 13 13.626 -0.864 -13.692 72 2HH1 ARG 13 1HH1 ARG 13 14.427 -1.069 -15.210 73 1HH2 ARG 13 1HH2 ARG 13 16.015 1.964 -15.135 74 2HH2 ARG 13 2HH2 ARG 13 15.773 0.483 -15.998 75 H GLN 14 H GLN 14 12.424 4.717 -13.993 76 HA GLN 14 HA GLN 14 13.255 5.338 -11.331 77 1HB GLN 14 2HB GLN 14 14.625 6.985 -12.291 78 2HB GLN 14 1HB GLN 14 14.564 5.712 -13.498 79 1HG GLN 14 2HG GLN 14 13.066 6.940 -14.850 80 2HG GLN 14 1HG GLN 14 12.756 8.108 -13.568 81 1HE2 GLN 14 1HE2 GLN 14 14.260 7.782 -16.436 82 2HE2 GLN 14 2HE2 GLN 14 15.547 8.914 -16.213 83 H TYR 15 H TYR 15 10.707 6.437 -13.406 84 HA TYR 15 HA TYR 15 10.188 8.974 -12.419 85 1HB TYR 15 2HB TYR 15 9.045 7.878 -14.357 86 2HB TYR 15 1HB TYR 15 8.097 6.938 -13.209 87 HD1 TYR 15 HD1 TYR 15 6.310 7.952 -11.948 88 HD2 TYR 15 HD2 TYR 15 8.680 10.274 -14.613 89 HE1 TYR 15 HE1 TYR 15 4.654 9.766 -11.831 90 HE2 TYR 15 HE2 TYR 15 7.034 12.095 -14.500 91 HH TYR 15 HH TYR 15 5.107 12.775 -13.667 92 H TYR 16 H TYR 16 8.732 5.907 -11.292 93 HA TYR 16 HA TYR 16 7.407 7.132 -9.089 94 1HB TYR 16 2HB TYR 16 6.700 4.966 -8.490 95 2HB TYR 16 1HB TYR 16 6.819 4.925 -10.245 96 HD1 TYR 16 HD1 TYR 16 8.088 3.257 -11.287 97 HD2 TYR 16 HD2 TYR 16 8.695 4.068 -7.154 98 HE1 TYR 16 HE1 TYR 16 9.545 1.282 -11.116 99 HE2 TYR 16 HE2 TYR 16 10.156 2.103 -6.975 100 HH TYR 16 HH TYR 16 10.207 -0.308 -8.789 101 H VAL 17 H VAL 17 10.393 5.221 -9.370 102 HA VAL 17 HA VAL 17 11.113 4.964 -6.737 103 HB VAL 17 HB VAL 17 12.993 5.704 -8.987 104 1HG1 VAL 17 1HG1 VAL 17 13.687 4.065 -6.578 105 2HG1 VAL 17 2HG1 VAL 17 13.765 5.827 -6.527 106 3HG1 VAL 17 3HG1 VAL 17 14.755 4.934 -7.680 107 1HG2 VAL 17 1HG2 VAL 17 12.363 2.935 -8.010 108 2HG2 VAL 17 2HG2 VAL 17 13.197 3.417 -9.487 109 3HG2 VAL 17 3HG2 VAL 17 11.463 3.694 -9.321 110 H ASN 18 H ASN 18 11.527 7.785 -8.818 111 HA ASN 18 HA ASN 18 13.047 9.426 -7.269 112 1HB ASN 18 2HB ASN 18 11.042 9.747 -9.348 113 2HB ASN 18 1HB ASN 18 11.069 11.112 -8.244 114 1HD2 ASN 18 1HD2 ASN 18 12.357 9.898 -11.007 115 2HD2 ASN 18 2HD2 ASN 18 13.821 10.817 -11.061 116 H GLN 19 H GLN 19 9.611 8.677 -6.817 117 HA GLN 19 HA GLN 19 9.470 10.514 -4.543 118 1HB GLN 19 2HB GLN 19 7.325 8.734 -5.705 119 2HB GLN 19 1HB GLN 19 7.090 10.019 -4.528 120 1HG GLN 19 2HG GLN 19 8.053 10.376 -7.354 121 2HG GLN 19 1HG GLN 19 6.427 10.716 -6.763 122 1HE2 GLN 19 1HE2 GLN 19 6.034 12.728 -6.183 123 2HE2 GLN 19 2HE2 GLN 19 7.220 13.913 -5.767 124 H PHE 20 H PHE 20 8.692 7.077 -5.126 125 HA PHE 20 HA PHE 20 8.360 6.448 -2.405 126 1HB PHE 20 2HB PHE 20 8.272 5.040 -4.883 127 2HB PHE 20 1HB PHE 20 9.162 4.092 -3.694 128 HD1 PHE 20 HD1 PHE 20 7.880 2.590 -2.526 129 HD2 PHE 20 HD2 PHE 20 6.165 6.301 -3.700 130 HE1 PHE 20 HE1 PHE 20 5.761 1.949 -1.453 131 HE2 PHE 20 HE2 PHE 20 4.045 5.666 -2.627 132 HZ PHE 20 HZ PHE 20 3.848 3.494 -1.499 133 H LYS 21 H LYS 21 11.216 6.779 -4.311 134 HA LYS 21 HA LYS 21 13.079 5.167 -3.165 135 1HB LYS 21 2HB LYS 21 14.718 7.046 -3.504 136 2HB LYS 21 1HB LYS 21 13.726 6.673 -4.908 137 1HG LYS 21 2HG LYS 21 13.437 8.894 -4.980 138 2HG LYS 21 1HG LYS 21 12.218 8.584 -3.744 139 1HD LYS 21 2HD LYS 21 13.592 10.391 -2.992 140 2HD LYS 21 1HD LYS 21 13.984 8.971 -2.018 141 1HE LYS 21 2HE LYS 21 15.977 8.572 -3.294 142 2HE LYS 21 1HE LYS 21 15.545 9.834 -4.449 143 1HZ LYS 21 1HZ LYS 21 17.129 10.781 -3.030 144 2HZ LYS 21 2HZ LYS 21 16.406 10.152 -1.634 145 3HZ LYS 21 3HZ LYS 21 15.650 11.401 -2.491 146 H THR 22 H THR 22 11.512 7.921 -1.698 147 HA THR 22 HA THR 22 13.154 8.457 0.464 148 HB THR 22 HB THR 22 10.126 8.406 0.452 149 HG1 THR 22 HG1 THR 22 10.341 10.085 -0.809 150 1HG2 THR 22 1HG2 THR 22 12.095 9.778 2.285 151 2HG2 THR 22 2HG2 THR 22 10.918 8.540 2.719 152 3HG2 THR 22 3HG2 THR 22 10.371 10.143 2.229 153 H ILE 23 H ILE 23 10.905 5.823 -0.022 154 HA ILE 23 HA ILE 23 11.778 4.618 2.528 155 HB ILE 23 HB ILE 23 9.087 4.255 1.208 156 1HG1 ILE 23 2HG1 ILE 23 9.423 5.607 3.837 157 2HG1 ILE 23 1HG1 ILE 23 9.821 6.531 2.392 158 1HG2 ILE 23 1HG2 ILE 23 10.055 2.376 2.613 159 2HG2 ILE 23 2HG2 ILE 23 8.474 2.987 3.100 160 3HG2 ILE 23 3HG2 ILE 23 9.917 3.470 3.990 161 1HD1 ILE 23 1HD1 ILE 23 7.217 5.649 3.423 162 2HD1 ILE 23 2HD1 ILE 23 7.430 5.536 1.675 163 3HD1 ILE 23 3HD1 ILE 23 7.651 7.083 2.494 164 H GLN 24 H GLN 24 10.500 3.876 -0.727 165 HA GLN 24 HA GLN 24 12.221 1.505 -0.813 166 1HB GLN 24 2HB GLN 24 9.518 1.327 -0.330 167 2HB GLN 24 1HB GLN 24 9.622 1.155 -2.074 168 1HG GLN 24 2HG GLN 24 9.666 -1.021 -1.131 169 2HG GLN 24 1HG GLN 24 11.289 -0.663 -1.725 170 1HE2 GLN 24 1HE2 GLN 24 9.443 -1.641 0.907 171 2HE2 GLN 24 2HE2 GLN 24 10.672 -1.550 2.122 172 HA PRO 25 HA PRO 25 12.594 3.824 -4.719 173 1HB PRO 25 2HB PRO 25 15.151 3.102 -5.240 174 2HB PRO 25 1HB PRO 25 14.728 4.417 -4.138 175 1HG PRO 25 2HG PRO 25 15.564 1.620 -3.523 176 2HG PRO 25 1HG PRO 25 15.971 3.125 -2.682 177 1HD PRO 25 2HD PRO 25 14.061 1.338 -1.830 178 2HD PRO 25 1HD PRO 25 14.076 3.062 -1.410 179 H ASP 26 H ASP 26 14.477 0.798 -4.662 180 HA ASP 26 HA ASP 26 12.698 -0.532 -6.496 181 1HB ASP 26 2HB ASP 26 14.177 1.158 -7.772 182 2HB ASP 26 1HB ASP 26 15.496 0.048 -7.446 183 H LEU 27 H LEU 27 13.951 -0.945 -3.851 184 HA LEU 27 HA LEU 27 15.841 -3.117 -4.282 185 1HB LEU 27 2HB LEU 27 14.745 -1.993 -1.705 186 2HB LEU 27 1HB LEU 27 16.074 -3.129 -1.857 187 HG LEU 27 HG LEU 27 16.060 -0.275 -2.839 188 1HD1 LEU 27 1HD1 LEU 27 17.509 0.230 -1.076 189 2HD1 LEU 27 2HD1 LEU 27 17.821 -1.469 -0.724 190 3HD1 LEU 27 3HD1 LEU 27 16.251 -0.761 -0.339 191 1HD2 LEU 27 1HD2 LEU 27 18.134 -0.603 -3.769 192 2HD2 LEU 27 2HD2 LEU 27 17.359 -2.146 -4.127 193 3HD2 LEU 27 3HD2 LEU 27 18.480 -2.016 -2.771 194 H ASN 28 H ASN 28 14.725 -4.248 -1.623 195 HA ASN 28 HA ASN 28 12.368 -5.638 -2.695 196 1HB ASN 28 2HB ASN 28 14.398 -7.034 -3.082 197 2HB ASN 28 1HB ASN 28 14.689 -7.032 -1.345 198 1HD2 ASN 28 1HD2 ASN 28 13.846 -8.633 -0.222 199 2HD2 ASN 28 2HD2 ASN 28 12.574 -9.673 -0.744 200 H GLY 29 H GLY 29 12.393 -3.546 -0.822 201 1HA GLY 29 2HA GLY 29 12.039 -4.834 1.786 202 2HA GLY 29 1HA GLY 29 12.160 -3.108 1.502 203 H PHE 30 H PHE 30 10.213 -4.515 3.081 204 HA PHE 30 HA PHE 30 7.713 -4.201 1.564 205 1HB PHE 30 2HB PHE 30 8.166 -5.335 4.338 206 2HB PHE 30 1HB PHE 30 6.662 -5.379 3.426 207 HD1 PHE 30 HD1 PHE 30 6.159 -7.500 2.735 208 HD2 PHE 30 HD2 PHE 30 10.218 -6.225 2.635 209 HE1 PHE 30 HE1 PHE 30 6.815 -9.665 1.771 210 HE2 PHE 30 HE2 PHE 30 10.879 -8.385 1.667 211 HZ PHE 30 HZ PHE 30 9.176 -10.109 1.234 212 H ILE 31 H ILE 31 6.303 -2.614 1.972 213 HA ILE 31 HA ILE 31 6.981 -0.630 4.028 214 HB ILE 31 HB ILE 31 5.659 -0.472 1.362 215 1HG1 ILE 31 2HG1 ILE 31 7.429 1.544 2.733 216 2HG1 ILE 31 1HG1 ILE 31 8.096 0.134 1.904 217 1HG2 ILE 31 1HG2 ILE 31 3.920 0.573 2.399 218 2HG2 ILE 31 2HG2 ILE 31 5.013 1.942 2.199 219 3HG2 ILE 31 3HG2 ILE 31 4.911 1.115 3.754 220 1HD1 ILE 31 1HD1 ILE 31 6.202 1.488 0.223 221 2HD1 ILE 31 2HD1 ILE 31 7.907 1.141 -0.063 222 3HD1 ILE 31 3HD1 ILE 31 7.437 2.607 0.798 223 HA PRO 32 HA PRO 32 3.329 -1.816 6.288 224 1HB PRO 32 2HB PRO 32 3.056 0.440 7.786 225 2HB PRO 32 1HB PRO 32 4.259 -0.806 8.133 226 1HG PRO 32 2HG PRO 32 4.590 1.805 6.708 227 2HG PRO 32 1HG PRO 32 5.650 1.042 7.907 228 1HD PRO 32 2HD PRO 32 6.168 0.956 5.253 229 2HD PRO 32 1HD PRO 32 6.606 -0.371 6.350 230 H GLY 33 H GLY 33 1.126 -1.515 6.063 231 1HA GLY 33 2HA GLY 33 0.061 -0.235 3.886 232 2HA GLY 33 1HA GLY 33 -0.857 -0.549 5.351 233 H SER 34 H SER 34 0.894 1.180 6.957 234 HA SER 34 HA SER 34 -0.551 3.574 6.807 235 1HB SER 34 2HB SER 34 1.234 4.474 8.330 236 2HB SER 34 1HB SER 34 0.526 2.954 8.868 237 HG SER 34 HG SER 34 2.927 3.181 8.876 238 H ALA 35 H ALA 35 2.885 3.031 5.925 239 HA ALA 35 HA ALA 35 3.381 5.545 4.865 240 1HB ALA 35 1HB ALA 35 5.266 4.224 5.094 241 2HB ALA 35 2HB ALA 35 5.024 4.215 3.347 242 3HB ALA 35 3HB ALA 35 4.512 2.834 4.317 243 H ALA 36 H ALA 36 1.965 2.692 3.333 244 HA ALA 36 HA ALA 36 1.805 3.707 0.717 245 1HB ALA 36 1HB ALA 36 0.459 1.885 0.229 246 2HB ALA 36 2HB ALA 36 -0.283 1.877 1.828 247 3HB ALA 36 3HB ALA 36 1.376 1.315 1.624 248 H LYS 37 H LYS 37 -0.682 3.627 3.287 249 HA LYS 37 HA LYS 37 -2.661 5.007 1.901 250 1HB LYS 37 2HB LYS 37 -2.237 4.076 4.545 251 2HB LYS 37 1HB LYS 37 -2.736 5.756 4.658 252 1HG LYS 37 2HG LYS 37 -4.667 4.325 4.774 253 2HG LYS 37 1HG LYS 37 -4.702 5.241 3.266 254 1HD LYS 37 2HD LYS 37 -5.313 2.890 2.914 255 2HD LYS 37 1HD LYS 37 -3.829 3.315 2.056 256 1HE LYS 37 2HE LYS 37 -2.539 2.377 3.970 257 2HE LYS 37 1HE LYS 37 -4.061 1.821 4.663 258 1HZ LYS 37 1HZ LYS 37 -3.844 -0.002 3.445 259 2HZ LYS 37 2HZ LYS 37 -2.473 0.613 2.667 260 3HZ LYS 37 3HZ LYS 37 -4.011 0.930 2.040 261 H GLU 38 H GLU 38 -0.294 6.350 4.237 262 HA GLU 38 HA GLU 38 -1.026 9.014 3.914 263 1HB GLU 38 2HB GLU 38 1.242 7.544 5.013 264 2HB GLU 38 1HB GLU 38 1.701 9.103 4.350 265 1HG GLU 38 2HG GLU 38 1.220 9.405 6.655 266 2HG GLU 38 1HG GLU 38 -0.086 10.146 5.733 267 H PHE 39 H PHE 39 1.396 7.105 2.122 268 HA PHE 39 HA PHE 39 2.330 9.204 0.499 269 1HB PHE 39 2HB PHE 39 2.886 6.511 0.828 270 2HB PHE 39 1HB PHE 39 2.276 6.608 -0.812 271 HD1 PHE 39 HD1 PHE 39 3.494 7.763 -2.535 272 HD2 PHE 39 HD2 PHE 39 4.937 7.664 1.468 273 HE1 PHE 39 HE1 PHE 39 5.693 8.551 -3.311 274 HE2 PHE 39 HE2 PHE 39 7.137 8.456 0.699 275 HZ PHE 39 HZ PHE 39 7.515 8.897 -1.693 276 H PHE 40 H PHE 40 -0.007 6.623 -0.266 277 HA PHE 40 HA PHE 40 -0.727 7.605 -2.785 278 1HB PHE 40 2HB PHE 40 -2.186 5.834 -0.831 279 2HB PHE 40 1HB PHE 40 -2.833 6.227 -2.418 280 HD1 PHE 40 HD1 PHE 40 -1.000 5.916 -4.367 281 HD2 PHE 40 HD2 PHE 40 -1.085 3.829 -0.660 282 HE1 PHE 40 HE1 PHE 40 0.306 4.089 -5.371 283 HE2 PHE 40 HE2 PHE 40 0.224 1.999 -1.656 284 HZ PHE 40 HZ PHE 40 0.922 2.128 -4.016 285 H THR 41 H THR 41 -2.425 8.008 0.337 286 HA THR 41 HA THR 41 -4.551 9.532 -0.507 287 HB THR 41 HB THR 41 -2.946 9.953 2.027 288 HG1 THR 41 HG1 THR 41 -4.437 8.526 2.924 289 1HG2 THR 41 1HG2 THR 41 -5.568 11.033 1.074 290 2HG2 THR 41 2HG2 THR 41 -4.262 11.855 1.931 291 3HG2 THR 41 3HG2 THR 41 -5.315 10.734 2.794 292 H LYS 42 H LYS 42 -1.265 10.647 0.266 293 HA LYS 42 HA LYS 42 -1.726 13.383 -0.209 294 1HB LYS 42 2HB LYS 42 0.785 11.721 -0.422 295 2HB LYS 42 1HB LYS 42 0.770 13.469 -0.620 296 1HG LYS 42 2HG LYS 42 -0.171 13.681 1.656 297 2HG LYS 42 1HG LYS 42 -0.028 11.933 1.844 298 1HD LYS 42 2HD LYS 42 2.381 12.074 1.551 299 2HD LYS 42 1HD LYS 42 2.263 13.815 1.279 300 1HE LYS 42 2HE LYS 42 1.326 14.071 3.552 301 2HE LYS 42 1HE LYS 42 1.554 12.342 3.815 302 1HZ LYS 42 1HZ LYS 42 3.785 14.150 3.091 303 2HZ LYS 42 2HZ LYS 42 3.877 12.581 3.710 304 3HZ LYS 42 3HZ LYS 42 3.347 13.846 4.699 305 H SER 43 H SER 43 -1.258 10.693 -2.345 306 HA SER 43 HA SER 43 -0.421 12.005 -4.674 307 1HB SER 43 2HB SER 43 -2.270 9.611 -4.465 308 2HB SER 43 1HB SER 43 -1.374 10.102 -5.901 309 HG SER 43 HG SER 43 0.545 9.863 -4.449 310 H LYS 44 H LYS 44 -3.737 11.275 -3.560 311 HA LYS 44 HA LYS 44 -4.948 13.628 -4.201 312 1HB LYS 44 2HB LYS 44 -4.080 13.192 -6.524 313 2HB LYS 44 1HB LYS 44 -5.172 11.817 -6.607 314 1HG LYS 44 2HG LYS 44 -7.083 13.304 -6.333 315 2HG LYS 44 1HG LYS 44 -5.996 14.690 -6.217 316 1HD LYS 44 2HD LYS 44 -5.150 14.155 -8.488 317 2HD LYS 44 1HD LYS 44 -6.348 12.864 -8.596 318 1HE LYS 44 2HE LYS 44 -8.142 14.501 -8.351 319 2HE LYS 44 1HE LYS 44 -6.953 15.796 -8.205 320 1HZ LYS 44 1HZ LYS 44 -7.980 14.542 -10.553 321 2HZ LYS 44 2HZ LYS 44 -6.290 14.502 -10.520 322 3HZ LYS 44 3HZ LYS 44 -7.102 15.982 -10.400 323 H LEU 45 H LEU 45 -5.558 10.202 -5.031 324 HA LEU 45 HA LEU 45 -8.308 10.285 -4.393 325 1HB LEU 45 2HB LEU 45 -6.325 8.185 -4.996 326 2HB LEU 45 1HB LEU 45 -7.746 7.672 -4.107 327 HG LEU 45 HG LEU 45 -9.188 8.553 -5.886 328 1HD1 LEU 45 1HD1 LEU 45 -6.985 8.882 -7.799 329 2HD1 LEU 45 2HD1 LEU 45 -7.106 10.141 -6.570 330 3HD1 LEU 45 3HD1 LEU 45 -8.483 9.795 -7.618 331 1HD2 LEU 45 1HD2 LEU 45 -7.635 6.978 -7.658 332 2HD2 LEU 45 2HD2 LEU 45 -9.058 6.510 -6.729 333 3HD2 LEU 45 3HD2 LEU 45 -7.447 6.317 -6.034 334 HA PRO 46 HA PRO 46 -8.262 10.132 0.025 335 1HB PRO 46 2HB PRO 46 -10.804 9.270 0.415 336 2HB PRO 46 1HB PRO 46 -10.418 10.920 -0.091 337 1HG PRO 46 2HG PRO 46 -11.280 8.584 -1.760 338 2HG PRO 46 1HG PRO 46 -11.849 10.262 -1.813 339 1HD PRO 46 2HD PRO 46 -10.043 9.314 -3.574 340 2HD PRO 46 1HD PRO 46 -9.989 10.989 -2.984 341 H ILE 47 H ILE 47 -8.111 8.667 1.707 342 HA ILE 47 HA ILE 47 -7.027 6.211 1.348 343 HB ILE 47 HB ILE 47 -8.888 6.771 3.661 344 1HG1 ILE 47 2HG1 ILE 47 -6.716 7.560 4.780 345 2HG1 ILE 47 1HG1 ILE 47 -6.062 7.702 3.151 346 1HG2 ILE 47 1HG2 ILE 47 -8.239 4.564 3.856 347 2HG2 ILE 47 2HG2 ILE 47 -6.997 5.391 4.797 348 3HG2 ILE 47 3HG2 ILE 47 -6.650 4.860 3.151 349 1HD1 ILE 47 1HD1 ILE 47 -7.038 9.788 4.262 350 2HD1 ILE 47 2HD1 ILE 47 -8.612 9.069 3.922 351 3HD1 ILE 47 3HD1 ILE 47 -7.505 9.441 2.600 352 H LEU 48 H LEU 48 -10.423 6.990 1.249 353 HA LEU 48 HA LEU 48 -11.691 4.616 1.660 354 1HB LEU 48 2HB LEU 48 -12.270 7.065 0.367 355 2HB LEU 48 1HB LEU 48 -12.785 5.785 -0.713 356 HG LEU 48 HG LEU 48 -14.153 4.826 1.112 357 1HD1 LEU 48 1HD1 LEU 48 -13.964 5.479 3.228 358 2HD1 LEU 48 2HD1 LEU 48 -14.205 7.169 2.786 359 3HD1 LEU 48 3HD1 LEU 48 -12.587 6.467 2.739 360 1HD2 LEU 48 1HD2 LEU 48 -15.528 6.069 -0.196 361 2HD2 LEU 48 2HD2 LEU 48 -14.559 7.531 -0.017 362 3HD2 LEU 48 3HD2 LEU 48 -15.647 7.029 1.278 363 H GLU 49 H GLU 49 -11.065 5.612 -1.723 364 HA GLU 49 HA GLU 49 -11.268 3.007 -2.731 365 1HB GLU 49 2HB GLU 49 -9.953 5.481 -3.829 366 2HB GLU 49 1HB GLU 49 -9.948 3.960 -4.710 367 1HG GLU 49 2HG GLU 49 -12.457 3.975 -4.546 368 2HG GLU 49 1HG GLU 49 -12.324 5.619 -3.918 369 H LEU 50 H LEU 50 -8.480 4.822 -1.559 370 HA LEU 50 HA LEU 50 -6.377 3.262 -2.398 371 1HB LEU 50 2HB LEU 50 -6.893 4.768 0.140 372 2HB LEU 50 1HB LEU 50 -5.464 3.762 0.022 373 HG LEU 50 HG LEU 50 -4.664 5.056 -1.881 374 1HD1 LEU 50 1HD1 LEU 50 -5.817 6.674 -2.975 375 2HD1 LEU 50 2HD1 LEU 50 -6.745 7.137 -1.549 376 3HD1 LEU 50 3HD1 LEU 50 -7.184 5.688 -2.453 377 1HD2 LEU 50 1HD2 LEU 50 -5.472 7.028 0.228 378 2HD2 LEU 50 2HD2 LEU 50 -3.975 6.951 -0.701 379 3HD2 LEU 50 3HD2 LEU 50 -4.299 5.753 0.552 380 H SER 51 H SER 51 -8.641 2.624 0.245 381 HA SER 51 HA SER 51 -7.405 0.383 1.361 382 1HB SER 51 2HB SER 51 -9.330 1.468 2.404 383 2HB SER 51 1HB SER 51 -10.364 0.952 1.069 384 HG SER 51 HG SER 51 -9.238 -1.235 1.914 385 H HIS 52 H HIS 52 -9.510 0.656 -1.449 386 HA HIS 52 HA HIS 52 -9.905 -2.109 -1.889 387 1HB HIS 52 2HB HIS 52 -11.289 -0.405 -2.959 388 2HB HIS 52 1HB HIS 52 -9.893 0.212 -3.832 389 HD1 HIS 52 HD1 HIS 52 -11.715 -3.140 -3.575 390 HD2 HIS 52 HD2 HIS 52 -9.772 -0.713 -6.322 391 HE1 HIS 52 HE1 HIS 52 -11.915 -4.302 -5.810 392 H ILE 53 H ILE 53 -7.555 0.188 -3.164 393 HA ILE 53 HA ILE 53 -6.192 -1.545 -4.891 394 HB ILE 53 HB ILE 53 -5.146 0.873 -3.416 395 1HG1 ILE 53 2HG1 ILE 53 -6.295 0.581 -6.201 396 2HG1 ILE 53 1HG1 ILE 53 -7.107 1.336 -4.832 397 1HG2 ILE 53 1HG2 ILE 53 -3.384 -0.641 -4.293 398 2HG2 ILE 53 2HG2 ILE 53 -3.388 0.959 -5.034 399 3HG2 ILE 53 3HG2 ILE 53 -4.058 -0.419 -5.908 400 1HD1 ILE 53 1HD1 ILE 53 -4.527 2.522 -5.241 401 2HD1 ILE 53 2HD1 ILE 53 -6.124 3.271 -5.254 402 3HD1 ILE 53 3HD1 ILE 53 -5.472 2.558 -6.730 403 H TRP 54 H TRP 54 -5.455 -0.718 -1.463 404 HA TRP 54 HA TRP 54 -3.073 -2.126 -1.282 405 1HB TRP 54 2HB TRP 54 -3.865 -0.747 0.569 406 2HB TRP 54 1HB TRP 54 -5.177 -1.889 0.876 407 HD1 TRP 54 HD1 TRP 54 -4.535 -4.247 1.969 408 HE1 TRP 54 HE1 TRP 54 -2.462 -5.043 3.264 409 HE3 TRP 54 HE3 TRP 54 -1.322 -0.427 0.821 410 HZ2 TRP 54 HZ2 TRP 54 0.170 -4.174 3.756 411 HZ3 TRP 54 HZ3 TRP 54 0.955 -0.486 1.761 412 HH2 TRP 54 HH2 TRP 54 1.684 -2.323 3.195 413 H GLU 55 H GLU 55 -6.338 -3.429 -0.505 414 HA GLU 55 HA GLU 55 -5.659 -6.026 0.081 415 1HB GLU 55 2HB GLU 55 -8.009 -4.894 -1.419 416 2HB GLU 55 1HB GLU 55 -7.870 -6.619 -1.120 417 1HG GLU 55 2HG GLU 55 -7.841 -4.529 1.041 418 2HG GLU 55 1HG GLU 55 -9.284 -5.394 0.511 419 H LEU 56 H LEU 56 -6.397 -4.758 -3.153 420 HA LEU 56 HA LEU 56 -5.717 -7.101 -4.556 421 1HB LEU 56 2HB LEU 56 -5.922 -4.205 -5.340 422 2HB LEU 56 1HB LEU 56 -5.440 -5.421 -6.501 423 HG LEU 56 HG LEU 56 -7.587 -6.587 -6.158 424 1HD1 LEU 56 1HD1 LEU 56 -7.842 -5.632 -3.795 425 2HD1 LEU 56 2HD1 LEU 56 -9.292 -5.775 -4.786 426 3HD1 LEU 56 3HD1 LEU 56 -8.511 -4.207 -4.588 427 1HD2 LEU 56 1HD2 LEU 56 -8.630 -3.942 -6.737 428 2HD2 LEU 56 2HD2 LEU 56 -8.484 -5.353 -7.785 429 3HD2 LEU 56 3HD2 LEU 56 -7.114 -4.262 -7.579 430 H SER 57 H SER 57 -3.862 -4.438 -3.345 431 HA SER 57 HA SER 57 -1.486 -4.969 -4.842 432 1HB SER 57 2HB SER 57 -1.988 -3.300 -2.371 433 2HB SER 57 1HB SER 57 -0.453 -3.358 -3.226 434 HG SER 57 HG SER 57 -2.923 -2.313 -4.080 435 H ASP 58 H ASP 58 -2.724 -5.981 -1.699 436 HA ASP 58 HA ASP 58 -0.145 -7.243 -1.087 437 1HB ASP 58 2HB ASP 58 -1.466 -5.829 0.600 438 2HB ASP 58 1HB ASP 58 -2.535 -7.225 0.742 439 H PHE 59 H PHE 59 -1.281 -8.503 -3.166 440 HA PHE 59 HA PHE 59 -3.088 -10.550 -2.712 441 1HB PHE 59 2HB PHE 59 -1.162 -9.864 -4.732 442 2HB PHE 59 1HB PHE 59 -1.129 -11.601 -4.447 443 HD1 PHE 59 HD1 PHE 59 -2.652 -9.046 -6.276 444 HD2 PHE 59 HD2 PHE 59 -3.520 -12.717 -4.303 445 HE1 PHE 59 HE1 PHE 59 -4.662 -9.316 -7.670 446 HE2 PHE 59 HE2 PHE 59 -5.530 -12.993 -5.694 447 HZ PHE 59 HZ PHE 59 -6.102 -11.293 -7.380 448 H ASP 60 H ASP 60 -0.212 -10.140 -1.104 449 HA ASP 60 HA ASP 60 0.281 -13.005 -0.752 450 1HB ASP 60 2HB ASP 60 2.314 -12.211 0.463 451 2HB ASP 60 1HB ASP 60 2.231 -11.652 -1.207 452 H LYS 61 H LYS 61 -1.032 -10.224 0.928 453 HA LYS 61 HA LYS 61 -2.161 -10.078 2.908 454 1HB LYS 61 2HB LYS 61 -2.074 -13.009 2.453 455 2HB LYS 61 1HB LYS 61 -2.484 -12.459 4.071 456 1HG LYS 61 2HG LYS 61 -3.887 -11.504 1.589 457 2HG LYS 61 1HG LYS 61 -4.435 -12.869 2.571 458 1HD LYS 61 2HD LYS 61 -4.115 -10.004 3.454 459 2HD LYS 61 1HD LYS 61 -5.626 -10.903 3.270 460 1HE LYS 61 2HE LYS 61 -4.847 -12.477 5.016 461 2HE LYS 61 1HE LYS 61 -3.417 -11.471 5.242 462 1HZ LYS 61 1HZ LYS 61 -4.928 -9.620 5.803 463 2HZ LYS 61 2HZ LYS 61 -5.026 -10.909 6.893 464 3HZ LYS 61 3HZ LYS 61 -6.235 -10.690 5.730 465 H ASP 62 H ASP 62 0.456 -9.439 3.057 466 HA ASP 62 HA ASP 62 1.475 -10.792 5.474 467 1HB ASP 62 2HB ASP 62 3.628 -9.677 4.956 468 2HB ASP 62 1HB ASP 62 3.066 -10.685 3.621 469 H GLY 63 H GLY 63 0.468 -7.698 4.182 470 1HA GLY 63 2HA GLY 63 -0.602 -6.110 5.685 471 2HA GLY 63 1HA GLY 63 0.530 -6.610 6.935 472 H ALA 64 H ALA 64 2.171 -6.502 4.096 473 HA ALA 64 HA ALA 64 2.781 -3.651 4.193 474 1HB ALA 64 1HB ALA 64 4.351 -4.604 5.767 475 2HB ALA 64 2HB ALA 64 5.203 -4.075 4.316 476 3HB ALA 64 3HB ALA 64 4.872 -5.790 4.570 477 H LEU 65 H LEU 65 3.591 -2.816 2.276 478 HA LEU 65 HA LEU 65 3.325 -4.590 -0.035 479 1HB LEU 65 2HB LEU 65 2.876 -1.770 0.501 480 2HB LEU 65 1HB LEU 65 3.764 -2.033 -0.984 481 HG LEU 65 HG LEU 65 1.999 -3.369 -1.903 482 1HD1 LEU 65 1HD1 LEU 65 -0.130 -3.165 -0.126 483 2HD1 LEU 65 2HD1 LEU 65 1.244 -3.649 0.868 484 3HD1 LEU 65 3HD1 LEU 65 0.782 -4.620 -0.530 485 1HD2 LEU 65 1HD2 LEU 65 1.018 -0.837 -0.599 486 2HD2 LEU 65 2HD2 LEU 65 0.106 -1.725 -1.819 487 3HD2 LEU 65 3HD2 LEU 65 1.677 -1.030 -2.223 488 H THR 66 H THR 66 5.047 -5.420 -0.899 489 HA THR 66 HA THR 66 7.686 -4.410 -0.289 490 HB THR 66 HB THR 66 7.150 -6.591 -2.272 491 HG1 THR 66 HG1 THR 66 5.888 -7.193 -0.520 492 1HG2 THR 66 1HG2 THR 66 9.436 -5.883 -2.020 493 2HG2 THR 66 2HG2 THR 66 9.255 -7.476 -1.285 494 3HG2 THR 66 3HG2 THR 66 9.336 -6.036 -0.267 495 H LEU 67 H LEU 67 9.241 -3.855 -1.927 496 HA LEU 67 HA LEU 67 8.496 -1.922 -3.680 497 1HB LEU 67 2HB LEU 67 10.854 -2.794 -3.058 498 2HB LEU 67 1HB LEU 67 10.671 -3.855 -4.442 499 HG LEU 67 HG LEU 67 11.916 -1.930 -5.133 500 1HD1 LEU 67 1HD1 LEU 67 10.698 -1.304 -7.016 501 2HD1 LEU 67 2HD1 LEU 67 9.156 -1.391 -6.164 502 3HD1 LEU 67 3HD1 LEU 67 10.017 -2.872 -6.582 503 1HD2 LEU 67 1HD2 LEU 67 11.512 -0.234 -3.630 504 2HD2 LEU 67 2HD2 LEU 67 9.762 -0.452 -3.690 505 3HD2 LEU 67 3HD2 LEU 67 10.600 0.328 -5.032 506 H ASP 68 H ASP 68 8.502 -5.425 -4.313 507 HA ASP 68 HA ASP 68 7.905 -5.306 -7.042 508 1HB ASP 68 2HB ASP 68 7.856 -7.297 -4.883 509 2HB ASP 68 1HB ASP 68 6.743 -7.613 -6.196 510 H GLU 69 H GLU 69 5.752 -5.686 -4.224 511 HA GLU 69 HA GLU 69 3.310 -5.615 -5.610 512 1HB GLU 69 2HB GLU 69 4.001 -4.637 -2.821 513 2HB GLU 69 1HB GLU 69 2.364 -4.815 -3.431 514 1HG GLU 69 2HG GLU 69 2.528 -7.153 -3.516 515 2HG GLU 69 1HG GLU 69 4.278 -7.123 -3.358 516 H PHE 70 H PHE 70 5.253 -3.090 -4.117 517 HA PHE 70 HA PHE 70 3.759 -0.825 -4.616 518 1HB PHE 70 2HB PHE 70 5.714 -0.637 -3.271 519 2HB PHE 70 1HB PHE 70 6.732 -1.323 -4.527 520 HD1 PHE 70 HD1 PHE 70 4.215 1.306 -5.105 521 HD2 PHE 70 HD2 PHE 70 8.348 0.400 -4.605 522 HE1 PHE 70 HE1 PHE 70 4.801 3.565 -5.884 523 HE2 PHE 70 HE2 PHE 70 8.936 2.653 -5.389 524 HZ PHE 70 HZ PHE 70 7.168 4.242 -6.018 525 H CYS 71 H CYS 71 6.317 -2.190 -6.646 526 HA CYS 71 HA CYS 71 6.219 -0.436 -8.780 527 1HB CYS 71 2HB CYS 71 7.323 -3.049 -8.233 528 2HB CYS 71 1HB CYS 71 6.738 -2.970 -9.888 529 HG CYS 71 HG CYS 71 9.159 -2.216 -10.496 530 H ALA 72 H ALA 72 4.346 -3.416 -8.302 531 HA ALA 72 HA ALA 72 2.949 -3.195 -10.789 532 1HB ALA 72 1HB ALA 72 3.232 -5.346 -9.730 533 2HB ALA 72 2HB ALA 72 1.513 -4.978 -9.873 534 3HB ALA 72 3HB ALA 72 2.326 -4.804 -8.318 535 H ALA 73 H ALA 73 1.967 -2.636 -7.423 536 HA ALA 73 HA ALA 73 -0.627 -1.750 -7.902 537 1HB ALA 73 1HB ALA 73 0.943 -0.548 -5.677 538 2HB ALA 73 2HB ALA 73 0.682 -2.293 -5.688 539 3HB ALA 73 3HB ALA 73 -0.698 -1.194 -5.682 540 H PHE 74 H PHE 74 2.337 0.194 -7.474 541 HA PHE 74 HA PHE 74 1.224 2.708 -7.747 542 1HB PHE 74 2HB PHE 74 3.629 2.133 -7.188 543 2HB PHE 74 1HB PHE 74 3.897 1.923 -8.917 544 HD1 PHE 74 HD1 PHE 74 4.641 3.724 -10.140 545 HD2 PHE 74 HD2 PHE 74 2.528 4.419 -6.512 546 HE1 PHE 74 HE1 PHE 74 5.063 6.139 -10.360 547 HE2 PHE 74 HE2 PHE 74 2.944 6.834 -6.728 548 HZ PHE 74 HZ PHE 74 4.213 7.696 -8.654 549 H HIS 75 H HIS 75 2.497 0.610 -10.343 550 HA HIS 75 HA HIS 75 1.885 2.370 -12.463 551 1HB HIS 75 2HB HIS 75 3.106 -0.107 -12.139 552 2HB HIS 75 1HB HIS 75 1.705 -0.454 -13.136 553 HD1 HIS 75 HD1 HIS 75 4.098 2.514 -13.238 554 HD2 HIS 75 HD2 HIS 75 2.654 -0.544 -15.638 555 HE1 HIS 75 HE1 HIS 75 5.079 2.897 -15.535 556 H LEU 76 H LEU 76 0.164 -0.540 -11.321 557 HA LEU 76 HA LEU 76 -2.042 -0.419 -12.972 558 1HB LEU 76 2HB LEU 76 -1.363 -2.159 -11.213 559 2HB LEU 76 1HB LEU 76 -2.210 -1.147 -10.057 560 HG LEU 76 HG LEU 76 -3.472 -2.366 -12.503 561 1HD1 LEU 76 1HD1 LEU 76 -4.271 -4.108 -11.215 562 2HD1 LEU 76 2HD1 LEU 76 -4.019 -3.241 -9.700 563 3HD1 LEU 76 3HD1 LEU 76 -2.639 -3.900 -10.580 564 1HD2 LEU 76 1HD2 LEU 76 -5.269 -1.662 -10.381 565 2HD2 LEU 76 2HD2 LEU 76 -5.258 -1.121 -12.059 566 3HD2 LEU 76 3HD2 LEU 76 -4.309 -0.259 -10.849 567 H VAL 77 H VAL 77 -1.714 1.039 -9.733 568 HA VAL 77 HA VAL 77 -4.146 2.271 -9.475 569 HB VAL 77 HB VAL 77 -1.448 3.388 -8.692 570 1HG1 VAL 77 1HG1 VAL 77 -3.026 4.513 -6.909 571 2HG1 VAL 77 2HG1 VAL 77 -4.221 4.348 -8.197 572 3HG1 VAL 77 3HG1 VAL 77 -2.740 5.264 -8.479 573 1HG2 VAL 77 1HG2 VAL 77 -1.494 2.051 -6.900 574 2HG2 VAL 77 2HG2 VAL 77 -2.701 1.124 -7.789 575 3HG2 VAL 77 3HG2 VAL 77 -3.211 2.339 -6.616 576 H VAL 78 H VAL 78 -1.351 3.363 -11.310 577 HA VAL 78 HA VAL 78 -2.090 5.905 -12.045 578 HB VAL 78 HB VAL 78 -0.756 3.781 -13.729 579 1HG1 VAL 78 1HG1 VAL 78 -1.597 6.466 -14.400 580 2HG1 VAL 78 2HG1 VAL 78 -0.963 5.186 -15.435 581 3HG1 VAL 78 3HG1 VAL 78 0.145 6.254 -14.575 582 1HG2 VAL 78 1HG2 VAL 78 1.305 5.064 -13.097 583 2HG2 VAL 78 2HG2 VAL 78 0.520 4.213 -11.768 584 3HG2 VAL 78 3HG2 VAL 78 0.313 5.955 -11.942 585 H ALA 79 H ALA 79 -3.020 2.845 -13.616 586 HA ALA 79 HA ALA 79 -4.592 3.906 -15.670 587 1HB ALA 79 1HB ALA 79 -5.776 1.494 -14.670 588 2HB ALA 79 2HB ALA 79 -4.018 1.352 -14.636 589 3HB ALA 79 3HB ALA 79 -4.843 1.746 -16.144 590 H ARG 80 H ARG 80 -5.410 3.052 -12.341 591 HA ARG 80 HA ARG 80 -8.141 3.440 -12.315 592 1HB ARG 80 2HB ARG 80 -6.227 2.976 -10.430 593 2HB ARG 80 1HB ARG 80 -6.667 4.631 -10.052 594 1HG ARG 80 2HG ARG 80 -8.426 2.194 -10.013 595 2HG ARG 80 1HG ARG 80 -7.972 3.234 -8.669 596 1HD ARG 80 2HD ARG 80 -9.853 3.858 -10.935 597 2HD ARG 80 1HD ARG 80 -10.221 3.757 -9.215 598 HE ARG 80 HE ARG 80 -8.493 5.861 -10.318 599 1HH1 ARG 80 2HH1 ARG 80 -11.147 4.859 -8.345 600 2HH1 ARG 80 1HH1 ARG 80 -11.436 6.448 -7.744 601 1HH2 ARG 80 1HH2 ARG 80 -8.897 7.918 -9.575 602 2HH2 ARG 80 2HH2 ARG 80 -10.171 8.179 -8.438 603 H LYS 81 H LYS 81 -5.576 5.736 -12.695 604 HA LYS 81 HA LYS 81 -6.614 8.091 -11.832 605 1HB LYS 81 2HB LYS 81 -4.458 8.062 -12.853 606 2HB LYS 81 1HB LYS 81 -5.122 7.524 -14.390 607 1HG LYS 81 2HG LYS 81 -6.029 10.116 -13.243 608 2HG LYS 81 1HG LYS 81 -4.450 10.017 -14.030 609 1HD LYS 81 2HD LYS 81 -6.376 8.675 -15.648 610 2HD LYS 81 1HD LYS 81 -6.999 10.273 -15.232 611 1HE LYS 81 2HE LYS 81 -4.977 11.312 -16.055 612 2HE LYS 81 1HE LYS 81 -4.264 9.732 -16.382 613 1HZ LYS 81 1HZ LYS 81 -6.011 9.326 -18.006 614 2HZ LYS 81 2HZ LYS 81 -5.148 10.730 -18.394 615 3HZ LYS 81 3HZ LYS 81 -6.685 10.847 -17.694 616 H ASN 82 H ASN 82 -7.737 6.164 -14.527 617 HA ASN 82 HA ASN 82 -9.326 8.091 -15.823 618 1HB ASN 82 2HB ASN 82 -10.636 6.154 -16.679 619 2HB ASN 82 1HB ASN 82 -8.899 5.977 -16.890 620 1HD2 ASN 82 1HD2 ASN 82 -8.201 4.022 -16.482 621 2HD2 ASN 82 2HD2 ASN 82 -8.862 2.915 -15.337 622 H GLY 83 H GLY 83 -10.023 6.030 -13.041 623 1HA GLY 83 2HA GLY 83 -11.571 6.427 -11.348 624 2HA GLY 83 1HA GLY 83 -12.176 7.803 -12.259 625 H TYR 84 H TYR 84 -11.880 4.453 -13.352 626 HA TYR 84 HA TYR 84 -14.711 3.963 -13.064 627 1HB TYR 84 2HB TYR 84 -13.495 4.549 -15.731 628 2HB TYR 84 1HB TYR 84 -14.794 3.368 -15.617 629 HD1 TYR 84 HD1 TYR 84 -17.027 4.076 -14.772 630 HD2 TYR 84 HD2 TYR 84 -13.938 6.882 -15.609 631 HE1 TYR 84 HE1 TYR 84 -18.698 5.876 -14.861 632 HE2 TYR 84 HE2 TYR 84 -15.602 8.693 -15.693 633 HH TYR 84 HH TYR 84 -17.738 9.242 -15.481 634 H ASP 85 H ASP 85 -11.593 2.865 -14.327 635 HA ASP 85 HA ASP 85 -12.398 0.196 -14.775 636 1HB ASP 85 2HB ASP 85 -10.278 1.475 -15.578 637 2HB ASP 85 1HB ASP 85 -9.573 0.879 -14.076 638 H LEU 86 H LEU 86 -11.769 -1.706 -13.656 639 HA LEU 86 HA LEU 86 -11.611 -3.084 -11.854 640 1HB LEU 86 2HB LEU 86 -10.456 -0.651 -10.500 641 2HB LEU 86 1HB LEU 86 -10.489 -2.256 -9.794 642 HG LEU 86 HG LEU 86 -9.150 -3.027 -11.812 643 1HD1 LEU 86 1HD1 LEU 86 -7.855 -1.271 -12.957 644 2HD1 LEU 86 2HD1 LEU 86 -8.847 -0.051 -12.157 645 3HD1 LEU 86 3HD1 LEU 86 -9.583 -1.181 -13.289 646 1HD2 LEU 86 1HD2 LEU 86 -7.853 -2.985 -9.942 647 2HD2 LEU 86 2HD2 LEU 86 -8.191 -1.288 -9.605 648 3HD2 LEU 86 3HD2 LEU 86 -7.047 -1.724 -10.876 649 HA PRO 87 HA PRO 87 -15.647 -1.947 -10.155 650 1HB PRO 87 2HB PRO 87 -16.389 -4.501 -9.585 651 2HB PRO 87 1HB PRO 87 -16.532 -3.789 -11.198 652 1HG PRO 87 2HG PRO 87 -14.415 -5.598 -10.102 653 2HG PRO 87 1HG PRO 87 -15.208 -5.632 -11.689 654 1HD PRO 87 2HD PRO 87 -12.738 -4.582 -11.316 655 2HD PRO 87 1HD PRO 87 -13.867 -3.956 -12.535 656 H GLU 88 H GLU 88 -16.312 -1.631 -8.102 657 HA GLU 88 HA GLU 88 -14.462 -1.863 -5.998 658 1HB GLU 88 2HB GLU 88 -16.356 -1.023 -4.600 659 2HB GLU 88 1HB GLU 88 -16.002 -0.053 -6.023 660 1HG GLU 88 2HG GLU 88 -17.873 -1.729 -7.016 661 2HG GLU 88 1HG GLU 88 -18.399 -1.602 -5.337 662 H LYS 89 H LYS 89 -14.366 -4.398 -6.543 663 HA LYS 89 HA LYS 89 -15.616 -5.641 -4.230 664 1HB LYS 89 2HB LYS 89 -15.917 -6.844 -6.986 665 2HB LYS 89 1HB LYS 89 -16.419 -7.587 -5.474 666 1HG LYS 89 2HG LYS 89 -17.847 -5.418 -5.216 667 2HG LYS 89 1HG LYS 89 -17.636 -5.318 -6.967 668 1HD LYS 89 2HD LYS 89 -18.852 -7.585 -5.395 669 2HD LYS 89 1HD LYS 89 -19.672 -6.504 -6.522 670 1HE LYS 89 2HE LYS 89 -18.394 -7.405 -8.369 671 2HE LYS 89 1HE LYS 89 -17.463 -8.417 -7.265 672 1HZ LYS 89 1HZ LYS 89 -19.059 -9.848 -8.107 673 2HZ LYS 89 2HZ LYS 89 -20.290 -8.684 -8.069 674 3HZ LYS 89 3HZ LYS 89 -19.735 -9.374 -6.628 675 H LEU 90 H LEU 90 -14.175 -6.873 -3.197 676 HA LEU 90 HA LEU 90 -11.560 -7.250 -4.274 677 1HB LEU 90 2HB LEU 90 -12.794 -7.358 -1.721 678 2HB LEU 90 1HB LEU 90 -11.977 -8.889 -1.978 679 HG LEU 90 HG LEU 90 -9.895 -7.626 -2.520 680 1HD1 LEU 90 1HD1 LEU 90 -11.717 -5.339 -1.957 681 2HD1 LEU 90 2HD1 LEU 90 -10.477 -5.514 -3.198 682 3HD1 LEU 90 3HD1 LEU 90 -10.013 -5.206 -1.523 683 1HD2 LEU 90 1HD2 LEU 90 -10.231 -6.552 0.084 684 2HD2 LEU 90 2HD2 LEU 90 -9.396 -8.028 -0.401 685 3HD2 LEU 90 3HD2 LEU 90 -11.114 -8.077 0.001 686 HA PRO 91 HA PRO 91 -11.950 -11.155 -6.260 687 1HB PRO 91 2HB PRO 91 -9.516 -12.269 -5.681 688 2HB PRO 91 1HB PRO 91 -9.772 -11.040 -6.925 689 1HG PRO 91 2HG PRO 91 -8.767 -10.726 -4.125 690 2HG PRO 91 1HG PRO 91 -8.199 -9.946 -5.613 691 1HD PRO 91 2HD PRO 91 -9.784 -8.667 -3.851 692 2HD PRO 91 1HD PRO 91 -9.912 -8.390 -5.601 693 H GLU 92 H GLU 92 -9.991 -11.889 -3.370 694 HA GLU 92 HA GLU 92 -11.782 -14.145 -2.860 695 1HB GLU 92 2HB GLU 92 -8.941 -13.569 -2.167 696 2HB GLU 92 1HB GLU 92 -9.852 -14.679 -1.151 697 1HG GLU 92 2HG GLU 92 -10.411 -15.981 -3.202 698 2HG GLU 92 1HG GLU 92 -9.311 -14.933 -4.098 699 H SER 93 H SER 93 -10.957 -14.486 -0.115 700 HA SER 93 HA SER 93 -12.670 -12.422 1.103 701 1HB SER 93 2HB SER 93 -13.512 -14.744 1.218 702 2HB SER 93 1HB SER 93 -12.061 -15.212 2.102 703 HG SER 93 HG SER 93 -14.281 -14.313 3.121 704 H LEU 94 H LEU 94 -10.664 -11.047 1.231 705 HA LEU 94 HA LEU 94 -8.870 -11.881 3.399 706 1HB LEU 94 2HB LEU 94 -8.663 -9.571 1.468 707 2HB LEU 94 1HB LEU 94 -7.486 -9.944 2.714 708 HG LEU 94 HG LEU 94 -7.118 -12.163 1.614 709 1HD1 LEU 94 1HD1 LEU 94 -7.851 -12.323 -0.771 710 2HD1 LEU 94 2HD1 LEU 94 -8.909 -10.944 -0.476 711 3HD1 LEU 94 3HD1 LEU 94 -9.154 -12.449 0.412 712 1HD2 LEU 94 1HD2 LEU 94 -5.808 -9.965 1.206 713 2HD2 LEU 94 2HD2 LEU 94 -6.590 -9.992 -0.374 714 3HD2 LEU 94 3HD2 LEU 94 -5.557 -11.332 0.121 715 H MET 95 H MET 95 -10.523 -8.849 2.436 716 HA MET 95 HA MET 95 -10.356 -7.668 4.997 717 1HB MET 95 2HB MET 95 -12.090 -7.143 2.592 718 2HB MET 95 1HB MET 95 -12.242 -6.197 4.063 719 1HG MET 95 2HG MET 95 -9.495 -6.324 3.294 720 2HG MET 95 1HG MET 95 -10.473 -5.814 1.917 721 1HE MET 95 1HE MET 95 -12.226 -2.654 3.086 722 2HE MET 95 2HE MET 95 -12.915 -4.120 3.785 723 3HE MET 95 3HE MET 95 -12.330 -4.127 2.121 724 HA PRO 96 HA PRO 96 -13.732 -10.141 6.739 725 1HB PRO 96 2HB PRO 96 -13.144 -9.708 9.315 726 2HB PRO 96 1HB PRO 96 -12.170 -10.793 8.315 727 1HG PRO 96 2HG PRO 96 -11.624 -7.972 9.142 728 2HG PRO 96 1HG PRO 96 -10.509 -9.345 9.041 729 1HD PRO 96 2HD PRO 96 -10.749 -7.382 7.118 730 2HD PRO 96 1HD PRO 96 -10.122 -9.012 6.815 731 H LYS 97 HN LYS 97 -15.796 -9.478 7.071 732 HA LYS 97 HA LYS 97 -16.284 -7.011 8.551 733 1HB LYS 97 2HB LYS 97 -17.530 -7.524 5.848 734 2HB LYS 97 1HB LYS 97 -17.861 -6.157 6.903 735 1HG LYS 97 2HG LYS 97 -15.319 -5.702 6.705 736 2HG LYS 97 1HG LYS 97 -15.422 -6.748 5.286 737 1HD LYS 97 2HD LYS 97 -16.912 -4.176 5.788 738 2HD LYS 97 1HD LYS 97 -15.693 -4.490 4.550 739 1HE LYS 97 2HE LYS 97 -17.181 -6.082 3.467 740 2HE LYS 97 1HE LYS 97 -18.389 -5.831 4.726 741 1HZ LYS 97 1HZ LYS 97 -18.564 -4.554 2.495 742 2HZ LYS 97 2HZ LYS 97 -17.412 -3.525 3.186 743 3HZ LYS 97 3HZ LYS 97 -18.904 -3.753 3.947 Start of MODEL 6 1 1H TRP 6 1H TRP 6 -0.716 -8.150 -17.679 2 2H TRP 6 2H TRP 6 -0.958 -7.072 -18.961 3 3H TRP 6 3H TRP 6 -2.138 -7.237 -17.760 4 HA TRP 6 HA TRP 6 -0.792 -5.191 -17.545 5 1HB TRP 6 2HB TRP 6 -0.741 -7.272 -15.356 6 2HB TRP 6 1HB TRP 6 -0.324 -5.583 -15.095 7 HD1 TRP 6 HD1 TRP 6 -3.360 -7.786 -16.017 8 HE1 TRP 6 HE1 TRP 6 -5.495 -6.485 -15.388 9 HE3 TRP 6 HE3 TRP 6 -1.226 -3.341 -14.713 10 HZ2 TRP 6 HZ2 TRP 6 -6.175 -3.890 -14.464 11 HZ3 TRP 6 HZ3 TRP 6 -2.671 -1.507 -13.982 12 HH2 TRP 6 HH2 TRP 6 -5.087 -1.762 -13.849 13 H LYS 7 H LYS 7 1.150 -4.236 -17.517 14 HA LYS 7 HA LYS 7 3.547 -5.384 -16.582 15 1HB LYS 7 2HB LYS 7 3.134 -5.430 -19.559 16 2HB LYS 7 1HB LYS 7 4.739 -5.327 -18.851 17 1HG LYS 7 2HG LYS 7 3.983 -7.432 -17.513 18 2HG LYS 7 1HG LYS 7 2.797 -7.585 -18.817 19 1HD LYS 7 2HD LYS 7 4.612 -7.492 -20.465 20 2HD LYS 7 1HD LYS 7 5.781 -7.363 -19.153 21 1HE LYS 7 2HE LYS 7 5.446 -9.553 -18.465 22 2HE LYS 7 1HE LYS 7 3.887 -9.678 -19.283 23 1HZ LYS 7 1HZ LYS 7 5.147 -9.480 -21.412 24 2HZ LYS 7 2HZ LYS 7 5.458 -10.900 -20.548 25 3HZ LYS 7 3HZ LYS 7 6.581 -9.635 -20.526 26 H ILE 8 H ILE 8 5.295 -3.905 -16.588 27 HA ILE 8 HA ILE 8 4.581 -1.153 -17.405 28 HB ILE 8 HB ILE 8 6.179 -1.979 -14.976 29 1HG1 ILE 8 2HG1 ILE 8 3.406 -0.801 -15.100 30 2HG1 ILE 8 1HG1 ILE 8 3.738 -2.509 -14.855 31 1HG2 ILE 8 1HG2 ILE 8 5.466 0.658 -16.173 32 2HG2 ILE 8 2HG2 ILE 8 6.986 0.119 -15.460 33 3HG2 ILE 8 3HG2 ILE 8 5.616 0.512 -14.422 34 1HD1 ILE 8 1HD1 ILE 8 5.104 -0.658 -13.023 35 2HD1 ILE 8 2HD1 ILE 8 4.339 -2.217 -12.707 36 3HD1 ILE 8 3HD1 ILE 8 3.355 -0.767 -12.863 37 H THR 9 H THR 9 6.259 0.199 -18.187 38 HA THR 9 HA THR 9 8.520 -1.210 -19.347 39 HB THR 9 HB THR 9 8.070 1.775 -19.430 40 HG1 THR 9 HG1 THR 9 7.122 0.819 -21.646 41 1HG2 THR 9 1HG2 THR 9 9.007 0.861 -21.879 42 2HG2 THR 9 2HG2 THR 9 9.891 -0.099 -20.692 43 3HG2 THR 9 3HG2 THR 9 9.954 1.663 -20.624 44 H ASP 10 H ASP 10 10.549 -1.288 -18.460 45 HA ASP 10 HA ASP 10 11.122 -0.579 -15.896 46 1HB ASP 10 2HB ASP 10 12.569 -1.667 -17.996 47 2HB ASP 10 1HB ASP 10 13.488 -0.226 -17.565 48 H GLU 11 H GLU 11 11.229 1.534 -18.714 49 HA GLU 11 HA GLU 11 12.602 3.705 -17.683 50 1HB GLU 11 2HB GLU 11 10.299 3.450 -19.607 51 2HB GLU 11 1HB GLU 11 10.965 5.013 -19.191 52 1HG GLU 11 2HG GLU 11 13.063 4.494 -20.141 53 2HG GLU 11 1HG GLU 11 12.656 2.783 -20.267 54 H GLN 12 H GLN 12 9.199 2.786 -17.311 55 HA GLN 12 HA GLN 12 8.484 5.028 -15.660 56 1HB GLN 12 2HB GLN 12 7.115 2.925 -16.978 57 2HB GLN 12 1HB GLN 12 6.760 2.746 -15.265 58 1HG GLN 12 2HG GLN 12 5.068 4.093 -16.310 59 2HG GLN 12 1HG GLN 12 5.992 5.070 -15.179 60 1HE2 GLN 12 1HE2 GLN 12 7.947 4.640 -17.785 61 2HE2 GLN 12 2HE2 GLN 12 7.533 6.057 -18.681 62 H ARG 13 H ARG 13 10.098 2.073 -15.108 63 HA ARG 13 HA ARG 13 9.366 1.404 -12.502 64 1HB ARG 13 2HB ARG 13 10.842 0.062 -13.983 65 2HB ARG 13 1HB ARG 13 12.125 1.232 -13.727 66 1HG ARG 13 2HG ARG 13 12.618 -0.539 -12.287 67 2HG ARG 13 1HG ARG 13 11.904 0.700 -11.251 68 1HD ARG 13 2HD ARG 13 10.121 -0.570 -10.758 69 2HD ARG 13 1HD ARG 13 9.961 -1.159 -12.410 70 HE ARG 13 HE ARG 13 11.090 -2.573 -10.284 71 1HH1 ARG 13 2HH1 ARG 13 11.827 -1.759 -13.557 72 2HH1 ARG 13 1HH1 ARG 13 12.690 -3.209 -13.860 73 1HH2 ARG 13 1HH2 ARG 13 12.200 -4.505 -10.700 74 2HH2 ARG 13 2HH2 ARG 13 12.904 -4.752 -12.256 75 H GLN 14 H GLN 14 12.139 3.419 -13.497 76 HA GLN 14 HA GLN 14 12.845 4.208 -10.878 77 1HB GLN 14 2HB GLN 14 14.263 5.861 -12.004 78 2HB GLN 14 1HB GLN 14 14.410 4.277 -12.750 79 1HG GLN 14 2HG GLN 14 12.801 5.018 -14.493 80 2HG GLN 14 1HG GLN 14 12.849 6.632 -13.786 81 1HE2 GLN 14 1HE2 GLN 14 13.975 7.876 -15.133 82 2HE2 GLN 14 2HE2 GLN 14 15.497 7.471 -15.840 83 H TYR 15 H TYR 15 10.740 5.602 -13.309 84 HA TYR 15 HA TYR 15 10.396 8.161 -12.461 85 1HB TYR 15 2HB TYR 15 9.189 6.660 -14.303 86 2HB TYR 15 1HB TYR 15 7.909 6.643 -13.097 87 HD1 TYR 15 HD1 TYR 15 6.343 8.371 -13.137 88 HD2 TYR 15 HD2 TYR 15 10.190 9.024 -14.834 89 HE1 TYR 15 HE1 TYR 15 5.618 10.587 -13.925 90 HE2 TYR 15 HE2 TYR 15 9.476 11.238 -15.623 91 HH TYR 15 HH TYR 15 6.655 12.194 -16.107 92 H TYR 16 H TYR 16 8.660 5.332 -11.156 93 HA TYR 16 HA TYR 16 7.312 6.846 -9.122 94 1HB TYR 16 2HB TYR 16 7.738 3.857 -9.184 95 2HB TYR 16 1HB TYR 16 6.454 4.741 -8.365 96 HD1 TYR 16 HD1 TYR 16 6.880 2.589 -10.899 97 HD2 TYR 16 HD2 TYR 16 5.339 6.507 -10.294 98 HE1 TYR 16 HE1 TYR 16 5.455 2.328 -12.886 99 HE2 TYR 16 HE2 TYR 16 3.907 6.255 -12.278 100 HH TYR 16 HH TYR 16 3.601 5.008 -14.178 101 H VAL 17 H VAL 17 9.913 4.438 -9.039 102 HA VAL 17 HA VAL 17 10.485 4.430 -6.341 103 HB VAL 17 HB VAL 17 12.468 4.180 -8.607 104 1HG1 VAL 17 1HG1 VAL 17 13.418 2.523 -6.777 105 2HG1 VAL 17 2HG1 VAL 17 12.602 3.649 -5.692 106 3HG1 VAL 17 3HG1 VAL 17 13.845 4.233 -6.797 107 1HG2 VAL 17 1HG2 VAL 17 10.671 2.654 -8.990 108 2HG2 VAL 17 2HG2 VAL 17 10.665 2.150 -7.300 109 3HG2 VAL 17 3HG2 VAL 17 12.027 1.734 -8.340 110 H ASN 18 H ASN 18 11.514 6.723 -8.794 111 HA ASN 18 HA ASN 18 13.575 8.074 -7.712 112 1HB ASN 18 2HB ASN 18 11.314 8.737 -9.435 113 2HB ASN 18 1HB ASN 18 11.962 10.126 -8.583 114 1HD2 ASN 18 1HD2 ASN 18 13.414 11.179 -9.719 115 2HD2 ASN 18 2HD2 ASN 18 14.532 10.486 -10.837 116 H GLN 19 H GLN 19 10.165 8.502 -6.788 117 HA GLN 19 HA GLN 19 11.010 10.306 -4.642 118 1HB GLN 19 2HB GLN 19 8.280 9.578 -5.702 119 2HB GLN 19 1HB GLN 19 8.534 10.619 -4.308 120 1HG GLN 19 2HG GLN 19 9.749 12.204 -5.690 121 2HG GLN 19 1HG GLN 19 9.558 11.152 -7.090 122 1HE2 GLN 19 1HE2 GLN 19 8.533 13.930 -6.046 123 2HE2 GLN 19 2HE2 GLN 19 6.880 13.906 -6.538 124 H PHE 20 H PHE 20 9.083 7.334 -5.035 125 HA PHE 20 HA PHE 20 8.581 6.859 -2.354 126 1HB PHE 20 2HB PHE 20 8.392 5.347 -4.801 127 2HB PHE 20 1HB PHE 20 8.852 4.326 -3.440 128 HD1 PHE 20 HD1 PHE 20 7.111 3.332 -2.341 129 HD2 PHE 20 HD2 PHE 20 6.543 7.187 -4.043 130 HE1 PHE 20 HE1 PHE 20 4.791 3.345 -1.526 131 HE2 PHE 20 HE2 PHE 20 4.220 7.207 -3.235 132 HZ PHE 20 HZ PHE 20 3.349 5.287 -1.970 133 H LYS 21 H LYS 21 11.554 6.433 -4.093 134 HA LYS 21 HA LYS 21 12.890 4.502 -2.702 135 1HB LYS 21 2HB LYS 21 13.818 7.142 -3.770 136 2HB LYS 21 1HB LYS 21 14.930 6.102 -2.894 137 1HG LYS 21 2HG LYS 21 13.690 4.440 -4.749 138 2HG LYS 21 1HG LYS 21 14.034 5.941 -5.616 139 1HD LYS 21 2HD LYS 21 16.003 4.308 -4.018 140 2HD LYS 21 1HD LYS 21 15.912 4.399 -5.779 141 1HE LYS 21 2HE LYS 21 16.632 6.627 -5.813 142 2HE LYS 21 1HE LYS 21 16.289 6.857 -4.098 143 1HZ LYS 21 1HZ LYS 21 18.156 5.613 -3.494 144 2HZ LYS 21 2HZ LYS 21 18.704 6.581 -4.770 145 3HZ LYS 21 3HZ LYS 21 18.343 4.949 -5.039 146 H THR 22 H THR 22 11.985 7.684 -1.558 147 HA THR 22 HA THR 22 13.582 8.039 0.647 148 HB THR 22 HB THR 22 10.592 8.513 0.518 149 HG1 THR 22 HG1 THR 22 12.205 9.596 -1.011 150 1HG2 THR 22 1HG2 THR 22 10.881 10.056 2.338 151 2HG2 THR 22 2HG2 THR 22 12.627 9.801 2.338 152 3HG2 THR 22 3HG2 THR 22 11.544 8.498 2.827 153 H ILE 23 H ILE 23 10.973 5.794 0.185 154 HA ILE 23 HA ILE 23 11.536 4.600 2.819 155 HB ILE 23 HB ILE 23 8.912 4.524 1.320 156 1HG1 ILE 23 2HG1 ILE 23 9.664 6.048 3.825 157 2HG1 ILE 23 1HG1 ILE 23 9.435 6.766 2.233 158 1HG2 ILE 23 1HG2 ILE 23 9.910 2.774 3.220 159 2HG2 ILE 23 2HG2 ILE 23 8.219 2.979 2.764 160 3HG2 ILE 23 3HG2 ILE 23 8.873 3.862 4.141 161 1HD1 ILE 23 1HD1 ILE 23 7.402 5.577 4.072 162 2HD1 ILE 23 2HD1 ILE 23 7.081 5.752 2.347 163 3HD1 ILE 23 3HD1 ILE 23 7.434 7.175 3.327 164 H GLN 24 H GLN 24 10.506 3.936 -0.523 165 HA GLN 24 HA GLN 24 11.377 1.146 -0.201 166 1HB GLN 24 2HB GLN 24 9.044 2.118 -1.225 167 2HB GLN 24 1HB GLN 24 10.002 1.893 -2.683 168 1HG GLN 24 2HG GLN 24 8.617 -0.063 -2.108 169 2HG GLN 24 1HG GLN 24 10.343 -0.422 -2.179 170 1HE2 GLN 24 1HE2 GLN 24 7.586 -0.848 -0.415 171 2HE2 GLN 24 2HE2 GLN 24 8.296 -1.254 1.106 172 HA PRO 25 HA PRO 25 14.781 2.895 -2.736 173 1HB PRO 25 2HB PRO 25 16.743 1.412 -1.647 174 2HB PRO 25 1HB PRO 25 16.120 2.870 -0.866 175 1HG PRO 25 2HG PRO 25 15.474 -0.002 -0.308 176 2HG PRO 25 1HG PRO 25 15.795 1.314 0.837 177 1HD PRO 25 2HD PRO 25 13.283 0.467 0.204 178 2HD PRO 25 1HD PRO 25 13.655 2.137 0.685 179 H ASP 26 H ASP 26 14.763 -0.582 -1.845 180 HA ASP 26 HA ASP 26 14.928 -1.251 -4.701 181 1HB ASP 26 2HB ASP 26 17.174 -1.361 -3.602 182 2HB ASP 26 1HB ASP 26 16.536 -2.582 -2.509 183 H LEU 27 H LEU 27 15.138 -4.091 -4.202 184 HA LEU 27 HA LEU 27 12.377 -4.676 -3.724 185 1HB LEU 27 2HB LEU 27 14.766 -6.388 -4.378 186 2HB LEU 27 1HB LEU 27 13.172 -7.061 -4.095 187 HG LEU 27 HG LEU 27 12.301 -5.703 -5.984 188 1HD1 LEU 27 1HD1 LEU 27 14.490 -4.166 -5.698 189 2HD1 LEU 27 2HD1 LEU 27 13.538 -4.249 -7.180 190 3HD1 LEU 27 3HD1 LEU 27 15.012 -5.203 -7.024 191 1HD2 LEU 27 1HD2 LEU 27 14.410 -7.778 -6.313 192 2HD2 LEU 27 2HD2 LEU 27 13.777 -6.974 -7.749 193 3HD2 LEU 27 3HD2 LEU 27 12.686 -7.849 -6.676 194 H ASN 28 H ASN 28 15.101 -4.385 -1.772 195 HA ASN 28 HA ASN 28 14.089 -6.258 0.244 196 1HB ASN 28 2HB ASN 28 16.546 -6.154 -0.346 197 2HB ASN 28 1HB ASN 28 16.581 -4.553 0.382 198 1HD2 ASN 28 1HD2 ASN 28 17.165 -4.484 2.426 199 2HD2 ASN 28 2HD2 ASN 28 17.064 -5.784 3.556 200 H GLY 29 H GLY 29 12.484 -4.058 -0.341 201 1HA GLY 29 2HA GLY 29 12.642 -2.549 2.194 202 2HA GLY 29 1HA GLY 29 12.236 -1.750 0.680 203 H PHE 30 H PHE 30 10.617 -1.910 3.107 204 HA PHE 30 HA PHE 30 8.225 -3.086 1.892 205 1HB PHE 30 2HB PHE 30 8.894 -3.572 4.795 206 2HB PHE 30 1HB PHE 30 7.592 -4.290 3.852 207 HD1 PHE 30 HD1 PHE 30 8.054 -6.050 2.234 208 HD2 PHE 30 HD2 PHE 30 11.136 -4.389 4.649 209 HE1 PHE 30 HE1 PHE 30 9.511 -7.953 1.678 210 HE2 PHE 30 HE2 PHE 30 12.602 -6.287 4.096 211 HZ PHE 30 HZ PHE 30 11.788 -8.073 2.608 212 H ILE 31 H ILE 31 6.400 -1.954 2.212 213 HA ILE 31 HA ILE 31 6.586 0.391 3.988 214 HB ILE 31 HB ILE 31 5.374 0.050 1.280 215 1HG1 ILE 31 2HG1 ILE 31 6.893 2.324 2.566 216 2HG1 ILE 31 1HG1 ILE 31 7.643 1.033 1.629 217 1HG2 ILE 31 1HG2 ILE 31 4.412 2.472 1.993 218 2HG2 ILE 31 2HG2 ILE 31 4.229 1.586 3.507 219 3HG2 ILE 31 3HG2 ILE 31 3.474 0.981 2.035 220 1HD1 ILE 31 1HD1 ILE 31 7.451 2.563 -0.018 221 2HD1 ILE 31 2HD1 ILE 31 6.077 3.366 0.738 222 3HD1 ILE 31 3HD1 ILE 31 5.837 1.865 -0.157 223 HA PRO 32 HA PRO 32 3.298 -1.759 6.187 224 1HB PRO 32 2HB PRO 32 2.889 0.293 7.976 225 2HB PRO 32 1HB PRO 32 4.112 -0.965 8.172 226 1HG PRO 32 2HG PRO 32 4.408 1.823 7.131 227 2HG PRO 32 1HG PRO 32 5.482 0.907 8.206 228 1HD PRO 32 2HD PRO 32 6.033 1.219 5.595 229 2HD PRO 32 1HD PRO 32 6.426 -0.285 6.454 230 H GLY 33 H GLY 33 1.019 -1.506 6.259 231 1HA GLY 33 2HA GLY 33 -0.241 -0.213 4.211 232 2HA GLY 33 1HA GLY 33 -1.037 -0.551 5.742 233 H SER 34 H SER 34 0.578 1.168 7.348 234 HA SER 34 HA SER 34 -0.813 3.600 7.065 235 1HB SER 34 2HB SER 34 0.123 2.896 9.217 236 2HB SER 34 1HB SER 34 1.757 3.033 8.565 237 HG SER 34 HG SER 34 1.283 5.296 8.221 238 H ALA 35 H ALA 35 2.530 2.699 6.208 239 HA ALA 35 HA ALA 35 3.248 5.255 5.233 240 1HB ALA 35 1HB ALA 35 5.161 4.114 5.551 241 2HB ALA 35 2HB ALA 35 4.910 3.607 3.881 242 3HB ALA 35 3HB ALA 35 4.411 2.554 5.207 243 H ALA 36 H ALA 36 2.003 2.337 3.633 244 HA ALA 36 HA ALA 36 2.126 3.382 1.005 245 1HB ALA 36 1HB ALA 36 1.786 0.951 1.710 246 2HB ALA 36 2HB ALA 36 0.846 1.528 0.333 247 3HB ALA 36 3HB ALA 36 0.085 1.371 1.915 248 H LYS 37 H LYS 37 -0.611 3.140 3.291 249 HA LYS 37 HA LYS 37 -2.485 4.485 1.707 250 1HB LYS 37 2HB LYS 37 -2.316 3.475 4.376 251 2HB LYS 37 1HB LYS 37 -2.970 5.101 4.440 252 1HG LYS 37 2HG LYS 37 -4.834 3.705 4.279 253 2HG LYS 37 1HG LYS 37 -4.614 4.344 2.651 254 1HD LYS 37 2HD LYS 37 -3.559 2.288 1.941 255 2HD LYS 37 1HD LYS 37 -3.606 1.656 3.589 256 1HE LYS 37 2HE LYS 37 -6.055 1.708 3.537 257 2HE LYS 37 1HE LYS 37 -6.010 2.336 1.891 258 1HZ LYS 37 1HZ LYS 37 -4.617 -0.181 2.455 259 2HZ LYS 37 2HZ LYS 37 -5.405 0.319 1.044 260 3HZ LYS 37 3HZ LYS 37 -6.309 -0.213 2.375 261 H GLU 38 H GLU 38 -0.233 5.732 4.188 262 HA GLU 38 HA GLU 38 -1.044 8.409 4.050 263 1HB GLU 38 2HB GLU 38 1.361 6.945 4.992 264 2HB GLU 38 1HB GLU 38 1.514 8.673 4.743 265 1HG GLU 38 2HG GLU 38 -0.320 9.085 6.273 266 2HG GLU 38 1HG GLU 38 -0.541 7.350 6.490 267 H PHE 39 H PHE 39 1.709 6.789 2.435 268 HA PHE 39 HA PHE 39 2.616 8.949 0.952 269 1HB PHE 39 2HB PHE 39 3.189 6.239 1.144 270 2HB PHE 39 1HB PHE 39 2.672 6.438 -0.519 271 HD1 PHE 39 HD1 PHE 39 5.483 6.123 1.242 272 HD2 PHE 39 HD2 PHE 39 3.678 8.961 -1.365 273 HE1 PHE 39 HE1 PHE 39 7.709 6.998 0.659 274 HE2 PHE 39 HE2 PHE 39 5.901 9.838 -1.955 275 HZ PHE 39 HZ PHE 39 7.919 8.854 -0.943 276 H PHE 40 H PHE 40 0.366 6.393 -0.051 277 HA PHE 40 HA PHE 40 -0.299 7.383 -2.552 278 1HB PHE 40 2HB PHE 40 -1.695 5.621 -0.587 279 2HB PHE 40 1HB PHE 40 -2.564 6.178 -2.008 280 HD1 PHE 40 HD1 PHE 40 1.034 5.319 -1.799 281 HD2 PHE 40 HD2 PHE 40 -2.824 4.206 -3.206 282 HE1 PHE 40 HE1 PHE 40 2.047 3.527 -3.150 283 HE2 PHE 40 HE2 PHE 40 -1.821 2.414 -4.557 284 HZ PHE 40 HZ PHE 40 0.617 2.072 -4.533 285 H THR 41 H THR 41 -1.382 8.452 0.586 286 HA THR 41 HA THR 41 -3.767 9.681 0.135 287 HB THR 41 HB THR 41 -1.425 10.900 1.616 288 HG1 THR 41 HG1 THR 41 -2.306 8.779 2.318 289 1HG2 THR 41 1HG2 THR 41 -3.126 12.209 2.818 290 2HG2 THR 41 2HG2 THR 41 -4.370 11.558 1.749 291 3HG2 THR 41 3HG2 THR 41 -3.099 12.592 1.097 292 H LYS 42 H LYS 42 -0.604 10.806 -0.898 293 HA LYS 42 HA LYS 42 -1.087 13.344 -1.801 294 1HB LYS 42 2HB LYS 42 0.546 11.150 -3.080 295 2HB LYS 42 1HB LYS 42 0.602 12.824 -3.606 296 1HG LYS 42 2HG LYS 42 1.269 11.903 -0.819 297 2HG LYS 42 1HG LYS 42 2.457 12.166 -2.099 298 1HD LYS 42 2HD LYS 42 1.617 14.514 -2.281 299 2HD LYS 42 1HD LYS 42 0.624 14.209 -0.854 300 1HE LYS 42 2HE LYS 42 3.629 13.966 -0.972 301 2HE LYS 42 1HE LYS 42 2.748 15.341 -0.309 302 1HZ LYS 42 1HZ LYS 42 3.563 13.594 1.313 303 2HZ LYS 42 2HZ LYS 42 2.341 12.594 0.710 304 3HZ LYS 42 3HZ LYS 42 1.944 14.059 1.453 305 H SER 43 H SER 43 -1.985 10.328 -3.338 306 HA SER 43 HA SER 43 -2.668 11.057 -5.878 307 1HB SER 43 2HB SER 43 -4.319 9.194 -4.160 308 2HB SER 43 1HB SER 43 -4.162 9.167 -5.915 309 HG SER 43 HG SER 43 -2.311 8.408 -3.946 310 H LYS 44 H LYS 44 -4.290 12.083 -2.990 311 HA LYS 44 HA LYS 44 -6.042 13.550 -2.704 312 1HB LYS 44 2HB LYS 44 -5.009 14.666 -4.738 313 2HB LYS 44 1HB LYS 44 -6.141 13.752 -5.722 314 1HG LYS 44 2HG LYS 44 -7.229 15.757 -5.515 315 2HG LYS 44 1HG LYS 44 -7.930 14.850 -4.173 316 1HD LYS 44 2HD LYS 44 -6.331 15.886 -2.639 317 2HD LYS 44 1HD LYS 44 -5.629 16.791 -3.982 318 1HE LYS 44 2HE LYS 44 -7.817 17.866 -4.358 319 2HE LYS 44 1HE LYS 44 -8.453 17.011 -2.953 320 1HZ LYS 44 1HZ LYS 44 -7.278 19.457 -2.926 321 2HZ LYS 44 2HZ LYS 44 -6.036 18.443 -2.388 322 3HZ LYS 44 3HZ LYS 44 -7.520 18.467 -1.575 323 H LEU 45 H LEU 45 -6.156 10.592 -3.746 324 HA LEU 45 HA LEU 45 -8.871 10.396 -4.732 325 1HB LEU 45 2HB LEU 45 -6.642 8.470 -4.267 326 2HB LEU 45 1HB LEU 45 -8.278 7.855 -4.388 327 HG LEU 45 HG LEU 45 -8.484 8.867 -6.627 328 1HD1 LEU 45 1HD1 LEU 45 -7.116 10.656 -6.875 329 2HD1 LEU 45 2HD1 LEU 45 -6.051 9.431 -7.562 330 3HD1 LEU 45 3HD1 LEU 45 -5.833 9.953 -5.891 331 1HD2 LEU 45 1HD2 LEU 45 -6.819 6.671 -5.859 332 2HD2 LEU 45 2HD2 LEU 45 -6.160 7.431 -7.307 333 3HD2 LEU 45 3HD2 LEU 45 -7.827 6.857 -7.295 334 HA PRO 46 HA PRO 46 -10.931 9.459 -0.958 335 1HB PRO 46 2HB PRO 46 -12.722 7.583 -1.699 336 2HB PRO 46 1HB PRO 46 -12.844 9.264 -2.230 337 1HG PRO 46 2HG PRO 46 -11.784 6.884 -3.700 338 2HG PRO 46 1HG PRO 46 -12.816 8.198 -4.293 339 1HD PRO 46 2HD PRO 46 -10.123 8.085 -4.729 340 2HD PRO 46 1HD PRO 46 -11.038 9.605 -4.641 341 H ILE 47 H ILE 47 -10.411 8.299 0.798 342 HA ILE 47 HA ILE 47 -8.576 6.290 0.953 343 HB ILE 47 HB ILE 47 -9.415 7.475 2.916 344 1HG1 ILE 47 2HG1 ILE 47 -9.753 4.471 3.104 345 2HG1 ILE 47 1HG1 ILE 47 -8.234 5.350 3.250 346 1HG2 ILE 47 1HG2 ILE 47 -11.933 6.313 2.037 347 2HG2 ILE 47 2HG2 ILE 47 -11.630 7.712 3.066 348 3HG2 ILE 47 3HG2 ILE 47 -11.638 6.090 3.759 349 1HD1 ILE 47 1HD1 ILE 47 -8.720 6.111 5.348 350 2HD1 ILE 47 2HD1 ILE 47 -9.553 4.556 5.365 351 3HD1 ILE 47 3HD1 ILE 47 -10.463 6.041 5.087 352 H LEU 48 H LEU 48 -12.015 5.916 0.302 353 HA LEU 48 HA LEU 48 -12.474 3.268 0.817 354 1HB LEU 48 2HB LEU 48 -14.168 4.826 -0.031 355 2HB LEU 48 1HB LEU 48 -13.397 4.812 -1.605 356 HG LEU 48 HG LEU 48 -13.962 2.472 -1.910 357 1HD1 LEU 48 1HD1 LEU 48 -15.465 1.389 -0.213 358 2HD1 LEU 48 2HD1 LEU 48 -15.050 2.706 0.882 359 3HD1 LEU 48 3HD1 LEU 48 -13.792 1.619 0.296 360 1HD2 LEU 48 1HD2 LEU 48 -16.570 2.799 -1.513 361 2HD2 LEU 48 2HD2 LEU 48 -15.701 3.654 -2.788 362 3HD2 LEU 48 3HD2 LEU 48 -16.059 4.468 -1.266 363 H GLU 49 H GLU 49 -12.017 4.117 -2.596 364 HA GLU 49 HA GLU 49 -11.189 1.604 -3.403 365 1HB GLU 49 2HB GLU 49 -10.455 4.269 -4.635 366 2HB GLU 49 1HB GLU 49 -10.276 2.704 -5.420 367 1HG GLU 49 2HG GLU 49 -12.648 2.358 -5.391 368 2HG GLU 49 1HG GLU 49 -12.889 3.839 -4.463 369 H LEU 50 H LEU 50 -9.274 4.304 -2.183 370 HA LEU 50 HA LEU 50 -6.705 3.531 -2.723 371 1HB LEU 50 2HB LEU 50 -8.005 5.023 -0.564 372 2HB LEU 50 1HB LEU 50 -6.525 4.234 -0.054 373 HG LEU 50 HG LEU 50 -6.725 6.122 -2.406 374 1HD1 LEU 50 1HD1 LEU 50 -6.207 7.857 -1.067 375 2HD1 LEU 50 2HD1 LEU 50 -5.189 6.874 -0.014 376 3HD1 LEU 50 3HD1 LEU 50 -6.942 6.860 0.190 377 1HD2 LEU 50 1HD2 LEU 50 -4.124 5.721 -1.221 378 2HD2 LEU 50 2HD2 LEU 50 -4.627 5.559 -2.903 379 3HD2 LEU 50 3HD2 LEU 50 -4.805 4.199 -1.793 380 H SER 51 H SER 51 -8.909 2.162 -0.334 381 HA SER 51 HA SER 51 -6.969 0.376 0.783 382 1HB SER 51 2HB SER 51 -9.078 1.129 1.945 383 2HB SER 51 1HB SER 51 -9.971 0.061 0.862 384 HG SER 51 HG SER 51 -9.074 -1.682 1.798 385 H HIS 52 H HIS 52 -9.730 -0.085 -1.426 386 HA HIS 52 HA HIS 52 -9.524 -2.752 -1.992 387 1HB HIS 52 2HB HIS 52 -11.278 -1.530 -3.014 388 2HB HIS 52 1HB HIS 52 -10.161 -0.412 -3.784 389 HD1 HIS 52 HD1 HIS 52 -10.546 -4.225 -3.960 390 HD2 HIS 52 HD2 HIS 52 -10.212 -0.880 -6.408 391 HE1 HIS 52 HE1 HIS 52 -10.528 -5.078 -6.341 392 H ILE 53 H ILE 53 -7.554 -0.120 -3.214 393 HA ILE 53 HA ILE 53 -6.047 -1.502 -5.122 394 HB ILE 53 HB ILE 53 -5.355 0.833 -3.340 395 1HG1 ILE 53 2HG1 ILE 53 -7.120 1.221 -4.973 396 2HG1 ILE 53 1HG1 ILE 53 -5.668 2.104 -5.434 397 1HG2 ILE 53 1HG2 ILE 53 -3.404 1.250 -4.671 398 2HG2 ILE 53 2HG2 ILE 53 -3.756 -0.139 -5.701 399 3HG2 ILE 53 3HG2 ILE 53 -3.300 -0.384 -4.014 400 1HD1 ILE 53 1HD1 ILE 53 -7.161 0.425 -7.038 401 2HD1 ILE 53 2HD1 ILE 53 -5.743 -0.535 -6.615 402 3HD1 ILE 53 3HD1 ILE 53 -5.544 1.041 -7.379 403 H TRP 54 H TRP 54 -5.623 -1.288 -1.595 404 HA TRP 54 HA TRP 54 -3.085 -2.525 -1.498 405 1HB TRP 54 2HB TRP 54 -4.054 -1.344 0.442 406 2HB TRP 54 1HB TRP 54 -5.280 -2.604 0.588 407 HD1 TRP 54 HD1 TRP 54 -4.352 -5.108 1.265 408 HE1 TRP 54 HE1 TRP 54 -2.326 -5.793 2.702 409 HE3 TRP 54 HE3 TRP 54 -1.776 -0.694 1.158 410 HZ2 TRP 54 HZ2 TRP 54 0.043 -4.596 3.676 411 HZ3 TRP 54 HZ3 TRP 54 0.358 -0.545 2.369 412 HH2 TRP 54 HH2 TRP 54 1.249 -2.454 3.602 413 H GLU 55 H GLU 55 -6.327 -3.973 -0.933 414 HA GLU 55 HA GLU 55 -5.664 -6.584 -0.533 415 1HB GLU 55 2HB GLU 55 -7.915 -5.270 -1.987 416 2HB GLU 55 1HB GLU 55 -7.747 -7.010 -2.147 417 1HG GLU 55 2HG GLU 55 -9.318 -6.289 -0.367 418 2HG GLU 55 1HG GLU 55 -8.009 -7.326 0.196 419 H LEU 56 H LEU 56 -6.019 -5.006 -3.682 420 HA LEU 56 HA LEU 56 -5.237 -7.236 -5.235 421 1HB LEU 56 2HB LEU 56 -5.685 -4.342 -5.682 422 2HB LEU 56 1HB LEU 56 -4.778 -5.210 -6.902 423 HG LEU 56 HG LEU 56 -7.142 -5.112 -7.480 424 1HD1 LEU 56 1HD1 LEU 56 -7.433 -7.377 -8.049 425 2HD1 LEU 56 2HD1 LEU 56 -6.516 -7.931 -6.648 426 3HD1 LEU 56 3HD1 LEU 56 -5.689 -7.129 -7.984 427 1HD2 LEU 56 1HD2 LEU 56 -7.940 -6.926 -5.289 428 2HD2 LEU 56 2HD2 LEU 56 -8.849 -5.655 -6.102 429 3HD2 LEU 56 3HD2 LEU 56 -7.675 -5.236 -4.857 430 H SER 57 H SER 57 -3.418 -4.262 -4.408 431 HA SER 57 HA SER 57 -1.013 -5.123 -5.646 432 1HB SER 57 2HB SER 57 -1.559 -2.983 -3.588 433 2HB SER 57 1HB SER 57 -0.005 -3.212 -4.371 434 HG SER 57 HG SER 57 -0.958 -2.735 -6.340 435 H ASP 58 H ASP 58 -2.377 -5.782 -2.571 436 HA ASP 58 HA ASP 58 0.174 -6.647 -1.445 437 1HB ASP 58 2HB ASP 58 -1.335 -5.185 -0.129 438 2HB ASP 58 1HB ASP 58 -2.552 -6.455 -0.144 439 H PHE 59 H PHE 59 -0.333 -8.279 -3.433 440 HA PHE 59 HA PHE 59 -2.025 -10.398 -3.319 441 1HB PHE 59 2HB PHE 59 0.685 -10.004 -4.387 442 2HB PHE 59 1HB PHE 59 0.205 -11.682 -4.166 443 HD1 PHE 59 HD1 PHE 59 -1.633 -12.621 -5.432 444 HD2 PHE 59 HD2 PHE 59 -0.360 -8.608 -6.056 445 HE1 PHE 59 HE1 PHE 59 -2.853 -12.573 -7.566 446 HE2 PHE 59 HE2 PHE 59 -1.584 -8.552 -8.191 447 HZ PHE 59 HZ PHE 59 -2.831 -10.537 -8.950 448 H ASP 60 H ASP 60 0.379 -9.799 -0.954 449 HA ASP 60 HA ASP 60 0.406 -12.613 -0.150 450 1HB ASP 60 2HB ASP 60 2.135 -11.826 1.508 451 2HB ASP 60 1HB ASP 60 2.575 -11.620 -0.186 452 H LYS 61 H LYS 61 -0.594 -9.440 1.034 453 HA LYS 61 HA LYS 61 -2.117 -8.864 2.644 454 1HB LYS 61 2HB LYS 61 -2.607 -11.792 2.457 455 2HB LYS 61 1HB LYS 61 -3.180 -10.967 3.901 456 1HG LYS 61 2HG LYS 61 -3.896 -10.318 1.054 457 2HG LYS 61 1HG LYS 61 -4.946 -11.040 2.282 458 1HD LYS 61 2HD LYS 61 -4.271 -8.880 3.629 459 2HD LYS 61 1HD LYS 61 -3.955 -8.248 2.014 460 1HE LYS 61 2HE LYS 61 -6.259 -8.864 1.365 461 2HE LYS 61 1HE LYS 61 -6.561 -9.365 3.033 462 1HZ LYS 61 1HZ LYS 61 -5.928 -6.647 2.041 463 2HZ LYS 61 2HZ LYS 61 -5.872 -7.057 3.677 464 3HZ LYS 61 3HZ LYS 61 -7.332 -7.154 2.832 465 H ASP 62 H ASP 62 0.540 -8.889 3.087 466 HA ASP 62 HA ASP 62 0.987 -10.039 5.749 467 1HB ASP 62 2HB ASP 62 3.298 -9.619 5.330 468 2HB ASP 62 1HB ASP 62 2.624 -10.254 3.831 469 H GLY 63 H GLY 63 -0.133 -7.220 4.375 470 1HA GLY 63 2HA GLY 63 -0.716 -5.219 5.414 471 2HA GLY 63 1HA GLY 63 0.107 -5.772 6.869 472 H ALA 64 H ALA 64 2.007 -6.130 4.129 473 HA ALA 64 HA ALA 64 3.227 -3.481 4.446 474 1HB ALA 64 1HB ALA 64 5.474 -4.530 4.449 475 2HB ALA 64 2HB ALA 64 4.700 -6.107 4.591 476 3HB ALA 64 3HB ALA 64 4.519 -4.917 5.879 477 H LEU 65 H LEU 65 3.900 -2.588 2.571 478 HA LEU 65 HA LEU 65 3.495 -4.166 0.152 479 1HB LEU 65 2HB LEU 65 3.153 -1.377 0.889 480 2HB LEU 65 1HB LEU 65 4.019 -1.567 -0.622 481 HG LEU 65 HG LEU 65 2.208 -2.730 -1.629 482 1HD1 LEU 65 1HD1 LEU 65 1.513 -3.373 1.078 483 2HD1 LEU 65 2HD1 LEU 65 0.964 -4.108 -0.428 484 3HD1 LEU 65 3HD1 LEU 65 0.123 -2.703 0.225 485 1HD2 LEU 65 1HD2 LEU 65 0.383 -1.110 -1.460 486 2HD2 LEU 65 2HD2 LEU 65 1.954 -0.316 -1.568 487 3HD2 LEU 65 3HD2 LEU 65 1.126 -0.429 -0.014 488 H THR 66 H THR 66 5.163 -5.020 -0.796 489 HA THR 66 HA THR 66 7.866 -4.121 -0.279 490 HB THR 66 HB THR 66 8.597 -6.055 -1.496 491 HG1 THR 66 HG1 THR 66 6.142 -7.070 -2.173 492 1HG2 THR 66 1HG2 THR 66 6.133 -6.703 0.127 493 2HG2 THR 66 2HG2 THR 66 7.778 -6.532 0.739 494 3HG2 THR 66 3HG2 THR 66 7.373 -7.871 -0.334 495 H LEU 67 H LEU 67 9.302 -3.374 -1.923 496 HA LEU 67 HA LEU 67 8.413 -1.393 -3.527 497 1HB LEU 67 2HB LEU 67 10.830 -2.249 -3.082 498 2HB LEU 67 1HB LEU 67 10.602 -3.166 -4.560 499 HG LEU 67 HG LEU 67 10.598 -0.168 -4.246 500 1HD1 LEU 67 1HD1 LEU 67 12.787 -0.632 -4.531 501 2HD1 LEU 67 2HD1 LEU 67 12.317 -0.728 -6.229 502 3HD1 LEU 67 3HD1 LEU 67 12.471 -2.201 -5.272 503 1HD2 LEU 67 1HD2 LEU 67 8.805 -0.741 -5.762 504 2HD2 LEU 67 2HD2 LEU 67 9.870 -1.820 -6.664 505 3HD2 LEU 67 3HD2 LEU 67 10.162 -0.080 -6.674 506 H ASP 68 H ASP 68 8.557 -4.843 -4.435 507 HA ASP 68 HA ASP 68 7.785 -4.535 -7.115 508 1HB ASP 68 2HB ASP 68 8.247 -6.690 -5.333 509 2HB ASP 68 1HB ASP 68 6.660 -6.930 -6.042 510 H GLU 69 H GLU 69 5.768 -5.297 -4.261 511 HA GLU 69 HA GLU 69 3.281 -5.192 -5.526 512 1HB GLU 69 2HB GLU 69 4.025 -4.316 -2.717 513 2HB GLU 69 1HB GLU 69 2.381 -4.542 -3.294 514 1HG GLU 69 2HG GLU 69 2.720 -6.890 -3.576 515 2HG GLU 69 1HG GLU 69 4.447 -6.726 -3.244 516 H PHE 70 H PHE 70 5.335 -2.691 -4.204 517 HA PHE 70 HA PHE 70 3.687 -0.447 -4.464 518 1HB PHE 70 2HB PHE 70 5.644 -0.201 -3.181 519 2HB PHE 70 1HB PHE 70 6.659 -0.885 -4.440 520 HD1 PHE 70 HD1 PHE 70 4.137 1.808 -4.795 521 HD2 PHE 70 HD2 PHE 70 8.261 0.760 -4.736 522 HE1 PHE 70 HE1 PHE 70 4.720 4.072 -5.563 523 HE2 PHE 70 HE2 PHE 70 8.852 3.020 -5.510 524 HZ PHE 70 HZ PHE 70 7.086 4.685 -5.904 525 H CYS 71 H CYS 71 6.248 -1.560 -6.690 526 HA CYS 71 HA CYS 71 5.801 0.333 -8.694 527 1HB CYS 71 2HB CYS 71 7.324 -2.099 -8.436 528 2HB CYS 71 1HB CYS 71 6.557 -2.034 -10.020 529 HG CYS 71 HG CYS 71 7.648 0.504 -10.642 530 H ALA 72 H ALA 72 4.442 -2.928 -8.339 531 HA ALA 72 HA ALA 72 2.861 -2.860 -10.676 532 1HB ALA 72 1HB ALA 72 3.159 -4.569 -8.352 533 2HB ALA 72 2HB ALA 72 2.733 -4.984 -10.014 534 3HB ALA 72 3HB ALA 72 1.482 -4.459 -8.886 535 H ALA 73 H ALA 73 2.170 -1.964 -7.326 536 HA ALA 73 HA ALA 73 -0.559 -1.388 -7.638 537 1HB ALA 73 1HB ALA 73 -0.270 -0.036 -5.565 538 2HB ALA 73 2HB ALA 73 1.467 -0.315 -5.685 539 3HB ALA 73 3HB ALA 73 0.369 -1.676 -5.454 540 H PHE 74 H PHE 74 2.207 0.889 -7.587 541 HA PHE 74 HA PHE 74 0.800 3.221 -7.996 542 1HB PHE 74 2HB PHE 74 3.294 2.953 -7.584 543 2HB PHE 74 1HB PHE 74 3.459 2.695 -9.319 544 HD1 PHE 74 HD1 PHE 74 1.931 4.572 -10.659 545 HD2 PHE 74 HD2 PHE 74 3.892 5.051 -6.914 546 HE1 PHE 74 HE1 PHE 74 1.997 7.004 -11.011 547 HE2 PHE 74 HE2 PHE 74 3.962 7.486 -7.258 548 HZ PHE 74 HZ PHE 74 3.012 8.466 -9.308 549 H HIS 75 H HIS 75 2.168 1.151 -10.586 550 HA HIS 75 HA HIS 75 1.236 2.668 -12.749 551 1HB HIS 75 2HB HIS 75 2.679 0.403 -12.488 552 2HB HIS 75 1HB HIS 75 1.160 -0.267 -13.048 553 HD1 HIS 75 HD1 HIS 75 3.528 2.534 -14.167 554 HD2 HIS 75 HD2 HIS 75 0.996 -0.369 -15.703 555 HE1 HIS 75 HE1 HIS 75 3.764 2.637 -16.681 556 H LEU 76 H LEU 76 -0.230 -0.222 -11.281 557 HA LEU 76 HA LEU 76 -2.545 -0.354 -12.759 558 1HB LEU 76 2HB LEU 76 -1.707 -1.905 -10.936 559 2HB LEU 76 1HB LEU 76 -2.452 -0.810 -9.786 560 HG LEU 76 HG LEU 76 -3.836 -2.400 -11.927 561 1HD1 LEU 76 1HD1 LEU 76 -3.529 -3.921 -10.257 562 2HD1 LEU 76 2HD1 LEU 76 -5.029 -3.174 -9.706 563 3HD1 LEU 76 3HD1 LEU 76 -3.489 -2.691 -8.994 564 1HD2 LEU 76 1HD2 LEU 76 -4.934 -0.261 -11.725 565 2HD2 LEU 76 2HD2 LEU 76 -4.975 -0.414 -9.968 566 3HD2 LEU 76 3HD2 LEU 76 -5.926 -1.509 -10.972 567 H VAL 77 H VAL 77 -2.098 1.451 -9.722 568 HA VAL 77 HA VAL 77 -4.601 2.591 -9.506 569 HB VAL 77 HB VAL 77 -1.933 3.834 -8.842 570 1HG1 VAL 77 1HG1 VAL 77 -4.531 4.983 -8.819 571 2HG1 VAL 77 2HG1 VAL 77 -3.006 5.688 -8.284 572 3HG1 VAL 77 3HG1 VAL 77 -3.999 4.770 -7.151 573 1HG2 VAL 77 1HG2 VAL 77 -1.915 2.619 -6.962 574 2HG2 VAL 77 2HG2 VAL 77 -3.106 1.597 -7.766 575 3HG2 VAL 77 3HG2 VAL 77 -3.635 2.875 -6.671 576 H VAL 78 H VAL 78 -1.839 3.745 -11.391 577 HA VAL 78 HA VAL 78 -2.653 6.195 -12.269 578 HB VAL 78 HB VAL 78 -1.409 4.017 -13.955 579 1HG1 VAL 78 1HG1 VAL 78 -1.996 5.538 -15.560 580 2HG1 VAL 78 2HG1 VAL 78 -0.431 6.191 -15.072 581 3HG1 VAL 78 3HG1 VAL 78 -1.920 6.907 -14.450 582 1HG2 VAL 78 1HG2 VAL 78 0.487 5.955 -13.214 583 2HG2 VAL 78 2HG2 VAL 78 0.382 4.283 -12.665 584 3HG2 VAL 78 3HG2 VAL 78 -0.414 5.562 -11.750 585 H ALA 79 H ALA 79 -3.641 3.073 -13.648 586 HA ALA 79 HA ALA 79 -5.209 3.932 -15.763 587 1HB ALA 79 1HB ALA 79 -4.609 1.526 -14.581 588 2HB ALA 79 2HB ALA 79 -5.668 1.755 -15.974 589 3HB ALA 79 3HB ALA 79 -6.353 1.658 -14.352 590 H ARG 80 H ARG 80 -6.253 3.275 -12.426 591 HA ARG 80 HA ARG 80 -8.951 4.091 -12.873 592 1HB ARG 80 2HB ARG 80 -8.400 2.516 -11.105 593 2HB ARG 80 1HB ARG 80 -7.406 3.724 -10.304 594 1HG ARG 80 2HG ARG 80 -10.282 4.340 -10.787 595 2HG ARG 80 1HG ARG 80 -9.844 3.220 -9.500 596 1HD ARG 80 2HD ARG 80 -8.429 4.895 -8.466 597 2HD ARG 80 1HD ARG 80 -8.741 6.012 -9.793 598 HE ARG 80 HE ARG 80 -10.497 5.434 -7.567 599 1HH1 ARG 80 2HH1 ARG 80 -10.267 6.696 -10.778 600 2HH1 ARG 80 1HH1 ARG 80 -11.766 7.536 -10.671 601 1HH2 ARG 80 1HH2 ARG 80 -12.414 6.527 -7.428 602 2HH2 ARG 80 2HH2 ARG 80 -12.979 7.445 -8.784 603 H LYS 81 H LYS 81 -6.034 5.751 -11.937 604 HA LYS 81 HA LYS 81 -6.775 7.918 -10.570 605 1HB LYS 81 2HB LYS 81 -4.530 7.510 -11.626 606 2HB LYS 81 1HB LYS 81 -5.176 8.180 -13.117 607 1HG LYS 81 2HG LYS 81 -5.136 9.692 -10.521 608 2HG LYS 81 1HG LYS 81 -3.818 9.746 -11.693 609 1HD LYS 81 2HD LYS 81 -6.679 10.444 -12.331 610 2HD LYS 81 1HD LYS 81 -5.452 11.629 -11.880 611 1HE LYS 81 2HE LYS 81 -4.088 10.875 -13.801 612 2HE LYS 81 1HE LYS 81 -5.398 9.794 -14.272 613 1HZ LYS 81 1HZ LYS 81 -5.218 12.123 -15.339 614 2HZ LYS 81 2HZ LYS 81 -5.934 12.662 -13.904 615 3HZ LYS 81 3HZ LYS 81 -6.739 11.539 -14.882 616 H ASN 82 H ASN 82 -7.522 7.408 -13.995 617 HA ASN 82 HA ASN 82 -9.058 9.882 -14.090 618 1HB ASN 82 2HB ASN 82 -8.310 7.821 -16.127 619 2HB ASN 82 1HB ASN 82 -9.668 8.895 -16.445 620 1HD2 ASN 82 1HD2 ASN 82 -9.160 10.580 -17.571 621 2HD2 ASN 82 2HD2 ASN 82 -7.621 11.359 -17.600 622 H GLY 83 H GLY 83 -9.728 6.393 -14.464 623 1HA GLY 83 2HA GLY 83 -11.772 5.877 -12.936 624 2HA GLY 83 1HA GLY 83 -12.590 6.948 -14.060 625 H TYR 84 H TYR 84 -12.069 3.800 -13.329 626 HA TYR 84 HA TYR 84 -13.103 2.905 -15.863 627 1HB TYR 84 2HB TYR 84 -10.366 2.010 -14.931 628 2HB TYR 84 1HB TYR 84 -11.322 1.114 -16.103 629 HD1 TYR 84 HD1 TYR 84 -11.212 1.650 -18.368 630 HD2 TYR 84 HD2 TYR 84 -9.777 4.451 -15.507 631 HE1 TYR 84 HE1 TYR 84 -10.300 3.031 -20.188 632 HE2 TYR 84 HE2 TYR 84 -8.868 5.844 -17.318 633 HH TYR 84 HH TYR 84 -8.155 4.956 -20.134 634 H ASP 85 H ASP 85 -13.474 0.434 -15.759 635 HA ASP 85 HA ASP 85 -15.102 -0.134 -13.583 636 1HB ASP 85 2HB ASP 85 -14.924 -1.262 -15.923 637 2HB ASP 85 1HB ASP 85 -13.794 -2.350 -15.121 638 H LEU 86 H LEU 86 -14.893 -1.324 -11.704 639 HA LEU 86 HA LEU 86 -12.125 -1.758 -10.819 640 1HB LEU 86 2HB LEU 86 -14.641 -1.563 -9.167 641 2HB LEU 86 1HB LEU 86 -13.015 -1.736 -8.542 642 HG LEU 86 HG LEU 86 -14.004 0.628 -10.136 643 1HD1 LEU 86 1HD1 LEU 86 -14.716 0.088 -7.598 644 2HD1 LEU 86 2HD1 LEU 86 -14.466 1.721 -8.217 645 3HD1 LEU 86 3HD1 LEU 86 -13.182 0.911 -7.320 646 1HD2 LEU 86 1HD2 LEU 86 -11.691 1.250 -8.699 647 2HD2 LEU 86 2HD2 LEU 86 -11.847 1.057 -10.446 648 3HD2 LEU 86 3HD2 LEU 86 -11.376 -0.317 -9.445 649 HA PRO 87 HA PRO 87 -12.987 -6.145 -11.137 650 1HB PRO 87 2HB PRO 87 -10.457 -6.964 -10.800 651 2HB PRO 87 1HB PRO 87 -10.994 -6.192 -12.298 652 1HG PRO 87 2HG PRO 87 -9.472 -5.023 -10.005 653 2HG PRO 87 1HG PRO 87 -9.239 -4.781 -11.746 654 1HD PRO 87 2HD PRO 87 -10.569 -3.021 -10.100 655 2HD PRO 87 1HD PRO 87 -10.834 -3.151 -11.851 656 H GLU 88 H GLU 88 -12.911 -8.005 -9.761 657 HA GLU 88 HA GLU 88 -11.992 -7.606 -7.016 658 1HB GLU 88 2HB GLU 88 -14.239 -6.866 -6.826 659 2HB GLU 88 1HB GLU 88 -14.838 -8.201 -7.799 660 1HG GLU 88 2HG GLU 88 -14.309 -9.769 -6.042 661 2HG GLU 88 1HG GLU 88 -13.595 -8.480 -5.073 662 H LYS 89 H LYS 89 -10.466 -9.191 -7.231 663 HA LYS 89 HA LYS 89 -11.390 -11.903 -7.895 664 1HB LYS 89 2HB LYS 89 -8.617 -10.716 -7.822 665 2HB LYS 89 1HB LYS 89 -8.940 -12.425 -8.078 666 1HG LYS 89 2HG LYS 89 -9.995 -12.025 -10.143 667 2HG LYS 89 1HG LYS 89 -10.112 -10.293 -9.834 668 1HD LYS 89 2HD LYS 89 -8.335 -10.767 -11.430 669 2HD LYS 89 1HD LYS 89 -7.672 -10.117 -9.931 670 1HE LYS 89 2HE LYS 89 -7.143 -12.412 -9.203 671 2HE LYS 89 1HE LYS 89 -7.746 -13.020 -10.746 672 1HZ LYS 89 1HZ LYS 89 -5.974 -12.136 -11.885 673 2HZ LYS 89 2HZ LYS 89 -5.230 -12.586 -10.435 674 3HZ LYS 89 3HZ LYS 89 -5.639 -10.969 -10.708 675 H LEU 90 H LEU 90 -9.777 -10.009 -5.401 676 HA LEU 90 HA LEU 90 -9.120 -12.163 -3.700 677 1HB LEU 90 2HB LEU 90 -8.940 -9.326 -3.609 678 2HB LEU 90 1HB LEU 90 -9.762 -9.850 -2.150 679 HG LEU 90 HG LEU 90 -7.881 -11.400 -1.682 680 1HD1 LEU 90 1HD1 LEU 90 -5.795 -11.142 -2.929 681 2HD1 LEU 90 2HD1 LEU 90 -6.589 -10.017 -4.032 682 3HD1 LEU 90 3HD1 LEU 90 -7.101 -11.704 -3.973 683 1HD2 LEU 90 1HD2 LEU 90 -7.977 -9.141 -0.694 684 2HD2 LEU 90 2HD2 LEU 90 -7.029 -8.530 -2.052 685 3HD2 LEU 90 3HD2 LEU 90 -6.325 -9.705 -0.942 686 HA PRO 91 HA PRO 91 -13.076 -13.374 -2.197 687 1HB PRO 91 2HB PRO 91 -12.339 -14.279 0.274 688 2HB PRO 91 1HB PRO 91 -12.081 -15.189 -1.217 689 1HG PRO 91 2HG PRO 91 -10.155 -13.469 0.305 690 2HG PRO 91 1HG PRO 91 -9.894 -15.066 -0.423 691 1HD PRO 91 2HD PRO 91 -9.062 -12.819 -1.631 692 2HD PRO 91 1HD PRO 91 -9.695 -14.194 -2.563 693 H GLU 92 H GLU 92 -13.297 -10.820 -2.174 694 HA GLU 92 HA GLU 92 -13.062 -9.248 0.068 695 1HB GLU 92 2HB GLU 92 -15.398 -9.241 -1.854 696 2HB GLU 92 1HB GLU 92 -14.899 -7.908 -0.827 697 1HG GLU 92 2HG GLU 92 -13.122 -9.071 -2.951 698 2HG GLU 92 1HG GLU 92 -14.262 -7.766 -3.265 699 H SER 93 H SER 93 -15.165 -11.922 -0.417 700 HA SER 93 HA SER 93 -16.926 -11.151 1.787 701 1HB SER 93 2HB SER 93 -17.044 -13.496 -0.122 702 2HB SER 93 1HB SER 93 -18.248 -13.150 1.118 703 HG SER 93 HG SER 93 -17.685 -11.008 -0.507 704 H LEU 94 H LEU 94 -14.120 -12.913 1.313 705 HA LEU 94 HA LEU 94 -14.560 -14.584 3.689 706 1HB LEU 94 2HB LEU 94 -12.454 -14.736 1.532 707 2HB LEU 94 1HB LEU 94 -12.457 -15.739 2.966 708 HG LEU 94 HG LEU 94 -14.646 -15.721 0.885 709 1HD1 LEU 94 1HD1 LEU 94 -13.355 -17.054 -0.330 710 2HD1 LEU 94 2HD1 LEU 94 -13.323 -18.204 1.007 711 3HD1 LEU 94 3HD1 LEU 94 -12.072 -16.966 0.877 712 1HD2 LEU 94 1HD2 LEU 94 -15.215 -16.335 3.284 713 2HD2 LEU 94 2HD2 LEU 94 -14.164 -17.735 3.065 714 3HD2 LEU 94 3HD2 LEU 94 -15.594 -17.537 2.051 715 H MET 95 H MET 95 -12.268 -12.302 2.218 716 HA MET 95 HA MET 95 -10.771 -12.070 4.684 717 1HB MET 95 2HB MET 95 -10.494 -10.880 1.941 718 2HB MET 95 1HB MET 95 -9.557 -10.259 3.288 719 1HG MET 95 2HG MET 95 -8.795 -12.658 3.648 720 2HG MET 95 1HG MET 95 -9.468 -12.983 2.052 721 1HE MET 95 1HE MET 95 -6.951 -13.772 2.747 722 2HE MET 95 2HE MET 95 -5.537 -12.728 2.625 723 3HE MET 95 3HE MET 95 -6.217 -13.457 1.171 724 HA PRO 96 HA PRO 96 -13.217 -8.707 6.252 725 1HB PRO 96 2HB PRO 96 -11.421 -7.765 8.081 726 2HB PRO 96 1HB PRO 96 -12.423 -9.195 8.347 727 1HG PRO 96 2HG PRO 96 -9.561 -9.008 7.515 728 2HG PRO 96 1HG PRO 96 -10.335 -10.154 8.624 729 1HD PRO 96 2HD PRO 96 -9.691 -10.780 6.059 730 2HD PRO 96 1HD PRO 96 -11.066 -11.506 6.916 731 H LYS 97 HN LYS 97 -12.750 -6.256 6.824 732 HA LYS 97 HA LYS 97 -11.266 -5.166 4.539 733 1HB LYS 97 2HB LYS 97 -13.506 -4.094 6.222 734 2HB LYS 97 1HB LYS 97 -12.495 -2.998 5.293 735 1HG LYS 97 2HG LYS 97 -14.414 -3.464 3.989 736 2HG LYS 97 1HG LYS 97 -13.064 -4.328 3.256 737 1HD LYS 97 2HD LYS 97 -15.038 -5.737 3.309 738 2HD LYS 97 1HD LYS 97 -13.794 -6.391 4.376 739 1HE LYS 97 2HE LYS 97 -14.921 -5.370 6.299 740 2HE LYS 97 1HE LYS 97 -16.168 -4.736 5.224 741 1HZ LYS 97 1HZ LYS 97 -15.651 -7.608 5.137 742 2HZ LYS 97 2HZ LYS 97 -17.109 -6.766 4.964 743 3HZ LYS 97 3HZ LYS 97 -16.451 -7.009 6.504 Start of MODEL 7 1 1H TRP 6 1H TRP 6 1.783 -7.118 -17.221 2 2H TRP 6 2H TRP 6 0.106 -6.983 -17.050 3 3H TRP 6 3H TRP 6 1.097 -6.966 -15.680 4 HA TRP 6 HA TRP 6 0.394 -4.833 -17.480 5 1HB TRP 6 2HB TRP 6 1.354 -5.136 -14.640 6 2HB TRP 6 1HB TRP 6 1.150 -3.552 -15.379 7 HD1 TRP 6 HD1 TRP 6 -1.156 -6.700 -15.215 8 HE1 TRP 6 HE1 TRP 6 -3.498 -5.894 -14.513 9 HE3 TRP 6 HE3 TRP 6 -0.190 -1.710 -14.734 10 HZ2 TRP 6 HZ2 TRP 6 -4.770 -3.465 -13.846 11 HZ3 TRP 6 HZ3 TRP 6 -2.017 -0.209 -14.064 12 HH2 TRP 6 HH2 TRP 6 -4.262 -1.068 -13.629 13 H LYS 7 H LYS 7 1.939 -4.752 -19.141 14 HA LYS 7 HA LYS 7 4.722 -4.874 -18.771 15 1HB LYS 7 2HB LYS 7 3.621 -5.116 -20.959 16 2HB LYS 7 1HB LYS 7 3.146 -3.426 -20.906 17 1HG LYS 7 2HG LYS 7 4.996 -3.438 -22.299 18 2HG LYS 7 1HG LYS 7 5.655 -2.923 -20.748 19 1HD LYS 7 2HD LYS 7 5.753 -5.732 -21.851 20 2HD LYS 7 1HD LYS 7 7.087 -4.580 -21.875 21 1HE LYS 7 2HE LYS 7 6.980 -4.508 -19.386 22 2HE LYS 7 1HE LYS 7 5.763 -5.783 -19.448 23 1HZ LYS 7 1HZ LYS 7 8.557 -5.988 -20.440 24 2HZ LYS 7 2HZ LYS 7 7.389 -7.201 -20.574 25 3HZ LYS 7 3HZ LYS 7 7.935 -6.721 -19.046 26 H ILE 8 H ILE 8 5.852 -3.551 -17.482 27 HA ILE 8 HA ILE 8 4.969 -0.823 -17.022 28 HB ILE 8 HB ILE 8 7.335 -2.303 -15.876 29 1HG1 ILE 8 2HG1 ILE 8 4.585 -1.766 -14.733 30 2HG1 ILE 8 1HG1 ILE 8 5.224 -3.334 -15.214 31 1HG2 ILE 8 1HG2 ILE 8 7.982 -0.378 -14.991 32 2HG2 ILE 8 2HG2 ILE 8 6.397 -0.157 -14.253 33 3HG2 ILE 8 3HG2 ILE 8 6.701 0.445 -15.882 34 1HD1 ILE 8 1HD1 ILE 8 6.889 -1.933 -13.271 35 2HD1 ILE 8 2HD1 ILE 8 6.316 -3.601 -13.288 36 3HD1 ILE 8 3HD1 ILE 8 5.268 -2.315 -12.689 37 H THR 9 H THR 9 5.839 0.967 -17.914 38 HA THR 9 HA THR 9 7.976 0.677 -19.858 39 HB THR 9 HB THR 9 6.940 3.354 -18.992 40 HG1 THR 9 HG1 THR 9 5.229 2.993 -20.622 41 1HG2 THR 9 1HG2 THR 9 7.313 2.514 -21.821 42 2HG2 THR 9 2HG2 THR 9 8.750 2.727 -20.822 43 3HG2 THR 9 3HG2 THR 9 7.630 4.068 -21.050 44 H ASP 10 H ASP 10 10.085 1.127 -19.487 45 HA ASP 10 HA ASP 10 11.213 1.318 -17.016 46 1HB ASP 10 2HB ASP 10 12.103 1.594 -19.700 47 2HB ASP 10 1HB ASP 10 12.819 2.902 -18.761 48 H GLU 11 H GLU 11 10.177 4.042 -19.055 49 HA GLU 11 HA GLU 11 11.156 6.165 -17.586 50 1HB GLU 11 2HB GLU 11 9.192 5.771 -19.605 51 2HB GLU 11 1HB GLU 11 8.480 6.791 -18.364 52 1HG GLU 11 2HG GLU 11 10.325 8.353 -18.561 53 2HG GLU 11 1HG GLU 11 11.084 7.323 -19.776 54 H GLN 12 H GLN 12 8.074 4.461 -17.163 55 HA GLN 12 HA GLN 12 7.328 5.885 -14.834 56 1HB GLN 12 2HB GLN 12 6.384 3.484 -16.309 57 2HB GLN 12 1HB GLN 12 5.903 3.636 -14.628 58 1HG GLN 12 2HG GLN 12 4.922 5.798 -15.057 59 2HG GLN 12 1HG GLN 12 5.486 5.741 -16.725 60 1HE2 GLN 12 1HE2 GLN 12 4.768 2.712 -16.447 61 2HE2 GLN 12 2HE2 GLN 12 3.085 2.713 -16.821 62 H ARG 13 H ARG 13 9.051 2.891 -15.485 63 HA ARG 13 HA ARG 13 9.196 1.812 -12.925 64 1HB ARG 13 2HB ARG 13 10.067 0.847 -15.150 65 2HB ARG 13 1HB ARG 13 11.504 1.817 -14.876 66 1HG ARG 13 2HG ARG 13 10.514 -0.181 -12.864 67 2HG ARG 13 1HG ARG 13 11.625 -0.600 -14.171 68 1HD ARG 13 2HD ARG 13 12.123 1.606 -12.180 69 2HD ARG 13 1HD ARG 13 12.717 -0.042 -11.980 70 HE ARG 13 HE ARG 13 13.505 1.043 -14.491 71 1HH1 ARG 13 2HH1 ARG 13 14.172 1.156 -11.119 72 2HH1 ARG 13 1HH1 ARG 13 15.851 1.514 -11.329 73 1HH2 ARG 13 1HH2 ARG 13 15.698 1.549 -14.767 74 2HH2 ARG 13 2HH2 ARG 13 16.705 1.735 -13.373 75 H GLN 14 H GLN 14 11.351 4.142 -14.521 76 HA GLN 14 HA GLN 14 12.919 4.624 -12.179 77 1HB GLN 14 2HB GLN 14 13.690 6.643 -13.558 78 2HB GLN 14 1HB GLN 14 14.017 5.052 -14.232 79 1HG GLN 14 2HG GLN 14 12.267 5.248 -15.789 80 2HG GLN 14 1HG GLN 14 11.593 6.651 -14.967 81 1HE2 GLN 14 1HE2 GLN 14 11.958 8.485 -15.928 82 2HE2 GLN 14 2HE2 GLN 14 13.300 8.863 -16.949 83 H TYR 15 H TYR 15 10.189 6.174 -13.756 84 HA TYR 15 HA TYR 15 10.016 8.588 -12.476 85 1HB TYR 15 2HB TYR 15 8.426 7.197 -14.186 86 2HB TYR 15 1HB TYR 15 7.462 7.134 -12.720 87 HD1 TYR 15 HD1 TYR 15 6.933 9.381 -11.560 88 HD2 TYR 15 HD2 TYR 15 8.385 9.068 -15.546 89 HE1 TYR 15 HE1 TYR 15 6.083 11.640 -12.041 90 HE2 TYR 15 HE2 TYR 15 7.546 11.325 -16.037 91 HH TYR 15 HH TYR 15 6.348 13.043 -15.295 92 H TYR 16 H TYR 16 8.504 5.549 -11.359 93 HA TYR 16 HA TYR 16 7.585 6.691 -8.925 94 1HB TYR 16 2HB TYR 16 6.746 4.584 -8.404 95 2HB TYR 16 1HB TYR 16 6.777 4.552 -10.162 96 HD1 TYR 16 HD1 TYR 16 8.877 3.626 -7.225 97 HD2 TYR 16 HD2 TYR 16 7.756 2.730 -11.228 98 HE1 TYR 16 HE1 TYR 16 10.221 1.576 -7.130 99 HE2 TYR 16 HE2 TYR 16 9.105 0.674 -11.145 100 HH TYR 16 HH TYR 16 9.971 -0.856 -8.703 101 H VAL 17 H VAL 17 10.393 4.671 -9.719 102 HA VAL 17 HA VAL 17 11.386 4.208 -7.183 103 HB VAL 17 HB VAL 17 13.045 4.801 -9.636 104 1HG1 VAL 17 1HG1 VAL 17 14.119 2.839 -7.830 105 2HG1 VAL 17 2HG1 VAL 17 13.818 4.357 -6.984 106 3HG1 VAL 17 3HG1 VAL 17 14.843 4.335 -8.419 107 1HG2 VAL 17 1HG2 VAL 17 11.212 2.953 -9.707 108 2HG2 VAL 17 2HG2 VAL 17 12.341 2.053 -8.694 109 3HG2 VAL 17 3HG2 VAL 17 12.836 2.600 -10.296 110 H ASN 18 H ASN 18 12.242 6.933 -9.316 111 HA ASN 18 HA ASN 18 14.030 8.214 -7.667 112 1HB ASN 18 2HB ASN 18 12.570 8.843 -10.025 113 2HB ASN 18 1HB ASN 18 12.490 10.231 -8.942 114 1HD2 ASN 18 1HD2 ASN 18 14.324 8.626 -11.227 115 2HD2 ASN 18 2HD2 ASN 18 15.820 9.452 -10.986 116 H GLN 19 H GLN 19 10.542 8.146 -7.351 117 HA GLN 19 HA GLN 19 10.633 10.234 -5.303 118 1HB GLN 19 2HB GLN 19 8.572 9.088 -7.026 119 2HB GLN 19 1HB GLN 19 8.034 9.338 -5.371 120 1HG GLN 19 2HG GLN 19 9.339 11.463 -7.055 121 2HG GLN 19 1HG GLN 19 7.597 11.241 -6.912 122 1HE2 GLN 19 1HE2 GLN 19 10.256 12.807 -5.665 123 2HE2 GLN 19 2HE2 GLN 19 9.578 13.330 -4.168 124 H PHE 20 H PHE 20 9.351 6.908 -5.550 125 HA PHE 20 HA PHE 20 8.871 6.675 -2.769 126 1HB PHE 20 2HB PHE 20 8.427 5.117 -5.087 127 2HB PHE 20 1HB PHE 20 9.204 4.099 -3.881 128 HD1 PHE 20 HD1 PHE 20 7.731 2.878 -2.638 129 HD2 PHE 20 HD2 PHE 20 6.649 6.814 -3.832 130 HE1 PHE 20 HE1 PHE 20 5.591 2.649 -1.450 131 HE2 PHE 20 HE2 PHE 20 4.507 6.589 -2.643 132 HZ PHE 20 HZ PHE 20 3.985 4.508 -1.448 133 H LYS 21 H LYS 21 11.711 6.186 -4.683 134 HA LYS 21 HA LYS 21 13.218 4.349 -3.394 135 1HB LYS 21 2HB LYS 21 15.186 5.914 -3.789 136 2HB LYS 21 1HB LYS 21 14.196 5.541 -5.197 137 1HG LYS 21 2HG LYS 21 13.918 7.707 -5.543 138 2HG LYS 21 1HG LYS 21 13.066 7.823 -4.004 139 1HD LYS 21 2HD LYS 21 14.848 9.420 -3.987 140 2HD LYS 21 1HD LYS 21 15.281 8.109 -2.886 141 1HE LYS 21 2HE LYS 21 16.729 7.132 -4.561 142 2HE LYS 21 1HE LYS 21 16.231 8.346 -5.740 143 1HZ LYS 21 1HZ LYS 21 17.451 9.159 -3.183 144 2HZ LYS 21 2HZ LYS 21 17.388 10.002 -4.648 145 3HZ LYS 21 3HZ LYS 21 18.427 8.679 -4.479 146 H THR 22 H THR 22 12.459 7.583 -2.237 147 HA THR 22 HA THR 22 14.093 7.868 -0.052 148 HB THR 22 HB THR 22 11.142 8.506 0.063 149 HG1 THR 22 HG1 THR 22 11.619 9.524 -1.775 150 1HG2 THR 22 1HG2 THR 22 12.733 10.600 1.056 151 2HG2 THR 22 2HG2 THR 22 13.427 9.115 1.705 152 3HG2 THR 22 3HG2 THR 22 11.725 9.487 1.982 153 H ILE 23 H ILE 23 11.143 5.973 -0.335 154 HA ILE 23 HA ILE 23 11.531 4.887 2.373 155 HB ILE 23 HB ILE 23 9.091 4.701 0.603 156 1HG1 ILE 23 2HG1 ILE 23 9.286 6.378 3.077 157 2HG1 ILE 23 1HG1 ILE 23 9.867 7.016 1.541 158 1HG2 ILE 23 1HG2 ILE 23 7.955 3.853 2.524 159 2HG2 ILE 23 2HG2 ILE 23 9.355 4.150 3.553 160 3HG2 ILE 23 3HG2 ILE 23 9.424 2.901 2.311 161 1HD1 ILE 23 1HD1 ILE 23 7.604 6.524 0.595 162 2HD1 ILE 23 2HD1 ILE 23 7.642 7.770 1.843 163 3HD1 ILE 23 3HD1 ILE 23 7.077 6.146 2.235 164 H GLN 24 H GLN 24 10.719 3.857 -0.945 165 HA GLN 24 HA GLN 24 11.847 1.213 -0.307 166 1HB GLN 24 2HB GLN 24 9.272 1.469 -0.660 167 2HB GLN 24 1HB GLN 24 9.697 1.560 -2.363 168 1HG GLN 24 2HG GLN 24 10.493 -0.620 -2.412 169 2HG GLN 24 1HG GLN 24 10.676 -0.695 -0.659 170 1HE2 GLN 24 1HE2 GLN 24 9.276 -2.055 0.204 171 2HE2 GLN 24 2HE2 GLN 24 7.626 -2.260 -0.285 172 HA PRO 25 HA PRO 25 14.343 3.123 -3.709 173 1HB PRO 25 2HB PRO 25 16.695 2.077 -2.843 174 2HB PRO 25 1HB PRO 25 16.034 3.609 -2.260 175 1HG PRO 25 2HG PRO 25 15.929 0.895 -1.002 176 2HG PRO 25 1HG PRO 25 16.245 2.467 -0.245 177 1HD PRO 25 2HD PRO 25 13.837 1.254 -0.099 178 2HD PRO 25 1HD PRO 25 14.007 3.022 -0.167 179 H ASP 26 H ASP 26 14.763 -0.179 -2.396 180 HA ASP 26 HA ASP 26 14.698 -1.193 -5.143 181 1HB ASP 26 2HB ASP 26 17.094 -0.867 -4.203 182 2HB ASP 26 1HB ASP 26 16.726 -2.259 -3.193 183 H LEU 27 H LEU 27 15.450 -3.888 -4.239 184 HA LEU 27 HA LEU 27 12.857 -4.757 -3.402 185 1HB LEU 27 2HB LEU 27 15.141 -5.911 -4.627 186 2HB LEU 27 1HB LEU 27 14.788 -6.847 -3.189 187 HG LEU 27 HG LEU 27 12.473 -7.174 -3.986 188 1HD1 LEU 27 1HD1 LEU 27 12.440 -5.082 -5.362 189 2HD1 LEU 27 2HD1 LEU 27 11.781 -6.513 -6.154 190 3HD1 LEU 27 3HD1 LEU 27 13.398 -5.942 -6.567 191 1HD2 LEU 27 1HD2 LEU 27 12.999 -8.901 -5.460 192 2HD2 LEU 27 2HD2 LEU 27 14.494 -8.674 -4.553 193 3HD2 LEU 27 3HD2 LEU 27 14.339 -8.007 -6.178 194 H ASN 28 H ASN 28 15.532 -3.645 -1.692 195 HA ASN 28 HA ASN 28 14.954 -5.323 0.637 196 1HB ASN 28 2HB ASN 28 17.338 -4.887 -0.093 197 2HB ASN 28 1HB ASN 28 17.109 -3.217 0.422 198 1HD2 ASN 28 1HD2 ASN 28 18.034 -2.890 2.310 199 2HD2 ASN 28 2HD2 ASN 28 18.027 -3.979 3.648 200 H GLY 29 H GLY 29 12.952 -3.630 -0.094 201 1HA GLY 29 2HA GLY 29 12.789 -1.906 2.273 202 2HA GLY 29 1HA GLY 29 12.436 -1.199 0.702 203 H PHE 30 H PHE 30 10.711 -1.636 3.070 204 HA PHE 30 HA PHE 30 8.503 -2.935 1.670 205 1HB PHE 30 2HB PHE 30 9.022 -3.536 4.582 206 2HB PHE 30 1HB PHE 30 7.928 -4.358 3.473 207 HD1 PHE 30 HD1 PHE 30 8.709 -6.069 2.008 208 HD2 PHE 30 HD2 PHE 30 11.434 -3.904 4.449 209 HE1 PHE 30 HE1 PHE 30 10.459 -7.725 1.514 210 HE2 PHE 30 HE2 PHE 30 13.193 -5.553 3.960 211 HZ PHE 30 HZ PHE 30 12.706 -7.470 2.491 212 H ILE 31 H ILE 31 6.481 -2.108 2.250 213 HA ILE 31 HA ILE 31 6.541 0.204 4.061 214 HB ILE 31 HB ILE 31 5.471 -0.001 1.273 215 1HG1 ILE 31 2HG1 ILE 31 6.842 2.347 2.538 216 2HG1 ILE 31 1HG1 ILE 31 7.788 0.945 2.038 217 1HG2 ILE 31 1HG2 ILE 31 4.549 2.405 2.018 218 2HG2 ILE 31 2HG2 ILE 31 4.337 1.523 3.532 219 3HG2 ILE 31 3HG2 ILE 31 3.573 0.938 2.054 220 1HD1 ILE 31 1HD1 ILE 31 6.632 3.075 0.449 221 2HD1 ILE 31 2HD1 ILE 31 6.225 1.471 -0.169 222 3HD1 ILE 31 3HD1 ILE 31 7.914 1.932 0.051 223 HA PRO 32 HA PRO 32 2.991 -1.858 5.800 224 1HB PRO 32 2HB PRO 32 2.535 -0.076 7.763 225 2HB PRO 32 1HB PRO 32 3.898 -1.202 7.831 226 1HG PRO 32 2HG PRO 32 3.865 1.679 7.000 227 2HG PRO 32 1HG PRO 32 5.016 0.834 8.055 228 1HD PRO 32 2HD PRO 32 5.521 1.348 5.434 229 2HD PRO 32 1HD PRO 32 6.167 -0.073 6.278 230 H GLY 33 H GLY 33 0.794 -1.611 5.520 231 1HA GLY 33 2HA GLY 33 -0.241 0.068 3.622 232 2HA GLY 33 1HA GLY 33 -1.208 -0.599 4.932 233 H SER 34 H SER 34 0.427 0.831 6.950 234 HA SER 34 HA SER 34 -1.151 3.124 7.243 235 1HB SER 34 2HB SER 34 0.189 1.937 9.053 236 2HB SER 34 1HB SER 34 1.611 2.771 8.430 237 HG SER 34 HG SER 34 0.945 4.572 9.319 238 H ALA 35 H ALA 35 2.210 2.775 6.053 239 HA ALA 35 HA ALA 35 2.515 5.546 5.456 240 1HB ALA 35 1HB ALA 35 4.315 4.259 3.842 241 2HB ALA 35 2HB ALA 35 4.076 3.095 5.146 242 3HB ALA 35 3HB ALA 35 4.608 4.736 5.515 243 H ALA 36 H ALA 36 1.814 2.666 3.498 244 HA ALA 36 HA ALA 36 1.701 3.911 1.006 245 1HB ALA 36 1HB ALA 36 1.628 1.404 1.654 246 2HB ALA 36 2HB ALA 36 0.799 1.945 0.200 247 3HB ALA 36 3HB ALA 36 -0.119 1.638 1.671 248 H LYS 37 H LYS 37 -1.082 3.128 3.159 249 HA LYS 37 HA LYS 37 -3.015 4.349 1.565 250 1HB LYS 37 2HB LYS 37 -2.867 3.133 4.122 251 2HB LYS 37 1HB LYS 37 -3.674 4.680 4.329 252 1HG LYS 37 2HG LYS 37 -5.472 4.077 3.060 253 2HG LYS 37 1HG LYS 37 -4.545 2.928 2.095 254 1HD LYS 37 2HD LYS 37 -5.132 2.482 5.006 255 2HD LYS 37 1HD LYS 37 -6.236 1.956 3.733 256 1HE LYS 37 2HE LYS 37 -4.315 0.688 2.733 257 2HE LYS 37 1HE LYS 37 -3.384 1.088 4.175 258 1HZ LYS 37 1HZ LYS 37 -5.842 -0.566 4.017 259 2HZ LYS 37 2HZ LYS 37 -5.187 -0.022 5.479 260 3HZ LYS 37 3HZ LYS 37 -4.294 -1.060 4.488 261 H GLU 38 H GLU 38 -1.079 5.695 4.231 262 HA GLU 38 HA GLU 38 -2.200 8.271 4.202 263 1HB GLU 38 2HB GLU 38 0.141 6.955 5.347 264 2HB GLU 38 1HB GLU 38 0.421 8.642 4.956 265 1HG GLU 38 2HG GLU 38 -1.827 9.019 6.217 266 2HG GLU 38 1HG GLU 38 -1.472 7.437 6.913 267 H PHE 39 H PHE 39 0.575 6.896 2.498 268 HA PHE 39 HA PHE 39 1.444 9.287 1.269 269 1HB PHE 39 2HB PHE 39 2.359 6.719 1.439 270 2HB PHE 39 1HB PHE 39 1.852 6.804 -0.239 271 HD1 PHE 39 HD1 PHE 39 3.342 7.563 -1.802 272 HD2 PHE 39 HD2 PHE 39 3.805 8.773 2.248 273 HE1 PHE 39 HE1 PHE 39 5.441 8.703 -2.388 274 HE2 PHE 39 HE2 PHE 39 5.905 9.919 1.671 275 HZ PHE 39 HZ PHE 39 6.726 9.884 -0.650 276 H PHE 40 H PHE 40 -0.388 6.542 -0.080 277 HA PHE 40 HA PHE 40 -0.911 7.540 -2.587 278 1HB PHE 40 2HB PHE 40 -2.617 5.825 -0.786 279 2HB PHE 40 1HB PHE 40 -3.100 6.232 -2.423 280 HD1 PHE 40 HD1 PHE 40 -1.391 3.903 -0.425 281 HD2 PHE 40 HD2 PHE 40 -1.341 5.699 -4.282 282 HE1 PHE 40 HE1 PHE 40 -0.090 2.004 -1.293 283 HE2 PHE 40 HE2 PHE 40 -0.038 3.802 -5.152 284 HZ PHE 40 HZ PHE 40 0.588 1.950 -3.657 285 H THR 41 H THR 41 -2.692 8.146 0.406 286 HA THR 41 HA THR 41 -4.870 9.540 -0.401 287 HB THR 41 HB THR 41 -3.021 10.330 1.863 288 HG1 THR 41 HG1 THR 41 -3.779 8.305 2.294 289 1HG2 THR 41 1HG2 THR 41 -4.733 11.647 2.762 290 2HG2 THR 41 2HG2 THR 41 -5.955 10.949 1.698 291 3HG2 THR 41 3HG2 THR 41 -4.745 12.054 1.047 292 H LYS 42 H LYS 42 -1.543 10.733 -0.399 293 HA LYS 42 HA LYS 42 -2.025 13.440 -0.889 294 1HB LYS 42 2HB LYS 42 0.245 11.594 -1.481 295 2HB LYS 42 1HB LYS 42 0.270 13.228 -2.140 296 1HG LYS 42 2HG LYS 42 1.442 12.892 0.066 297 2HG LYS 42 1HG LYS 42 0.252 14.195 0.010 298 1HD LYS 42 2HD LYS 42 -1.398 12.794 1.071 299 2HD LYS 42 1HD LYS 42 -0.299 11.415 1.042 300 1HE LYS 42 2HE LYS 42 1.262 12.997 2.410 301 2HE LYS 42 1HE LYS 42 -0.237 13.867 2.742 302 1HZ LYS 42 1HZ LYS 42 -0.309 10.984 3.109 303 2HZ LYS 42 2HZ LYS 42 -1.033 12.207 4.023 304 3HZ LYS 42 3HZ LYS 42 0.606 11.852 4.235 305 H SER 43 H SER 43 -1.967 10.747 -3.142 306 HA SER 43 HA SER 43 -1.965 12.323 -5.503 307 1HB SER 43 2HB SER 43 -2.897 9.474 -5.085 308 2HB SER 43 1HB SER 43 -2.624 10.238 -6.652 309 HG SER 43 HG SER 43 -0.863 8.920 -5.473 310 H LYS 44 H LYS 44 -3.923 13.161 -3.569 311 HA LYS 44 HA LYS 44 -6.120 13.763 -3.371 312 1HB LYS 44 2HB LYS 44 -5.093 14.611 -5.799 313 2HB LYS 44 1HB LYS 44 -6.644 13.897 -6.231 314 1HG LYS 44 2HG LYS 44 -6.974 16.221 -5.798 315 2HG LYS 44 1HG LYS 44 -7.711 15.300 -4.485 316 1HD LYS 44 2HD LYS 44 -5.359 15.626 -3.366 317 2HD LYS 44 1HD LYS 44 -5.261 16.999 -4.473 318 1HE LYS 44 2HE LYS 44 -7.174 16.507 -2.226 319 2HE LYS 44 1HE LYS 44 -6.188 17.930 -2.558 320 1HZ LYS 44 1HZ LYS 44 -8.544 17.051 -4.138 321 2HZ LYS 44 2HZ LYS 44 -7.599 18.418 -4.458 322 3HZ LYS 44 3HZ LYS 44 -8.515 18.338 -3.038 323 H LEU 45 H LEU 45 -5.526 10.811 -3.934 324 HA LEU 45 HA LEU 45 -7.936 9.926 -5.267 325 1HB LEU 45 2HB LEU 45 -5.499 8.632 -4.229 326 2HB LEU 45 1HB LEU 45 -6.959 7.665 -4.163 327 HG LEU 45 HG LEU 45 -7.083 8.588 -6.712 328 1HD1 LEU 45 1HD1 LEU 45 -4.197 7.902 -6.460 329 2HD1 LEU 45 2HD1 LEU 45 -4.719 9.561 -6.174 330 3HD1 LEU 45 3HD1 LEU 45 -5.040 8.790 -7.728 331 1HD2 LEU 45 1HD2 LEU 45 -6.431 6.384 -7.377 332 2HD2 LEU 45 2HD2 LEU 45 -7.323 6.263 -5.861 333 3HD2 LEU 45 3HD2 LEU 45 -5.565 6.128 -5.863 334 HA PRO 46 HA PRO 46 -10.442 9.766 -1.644 335 1HB PRO 46 2HB PRO 46 -12.338 8.041 -2.527 336 2HB PRO 46 1HB PRO 46 -12.240 9.718 -3.080 337 1HG PRO 46 2HG PRO 46 -11.252 7.225 -4.415 338 2HG PRO 46 1HG PRO 46 -12.123 8.600 -5.120 339 1HD PRO 46 2HD PRO 46 -9.441 8.307 -5.339 340 2HD PRO 46 1HD PRO 46 -10.219 9.901 -5.244 341 H ILE 47 H ILE 47 -9.910 8.700 0.151 342 HA ILE 47 HA ILE 47 -8.444 6.472 0.508 343 HB ILE 47 HB ILE 47 -9.213 7.843 2.373 344 1HG1 ILE 47 2HG1 ILE 47 -9.934 4.914 2.603 345 2HG1 ILE 47 1HG1 ILE 47 -8.373 5.654 2.944 346 1HG2 ILE 47 1HG2 ILE 47 -11.346 8.306 2.765 347 2HG2 ILE 47 2HG2 ILE 47 -11.766 6.595 2.844 348 3HG2 ILE 47 3HG2 ILE 47 -11.743 7.427 1.290 349 1HD1 ILE 47 1HD1 ILE 47 -8.999 6.333 4.991 350 2HD1 ILE 47 2HD1 ILE 47 -10.193 5.047 4.821 351 3HD1 ILE 47 3HD1 ILE 47 -10.643 6.717 4.481 352 H LEU 48 H LEU 48 -11.900 6.524 -0.234 353 HA LEU 48 HA LEU 48 -12.638 3.921 0.227 354 1HB LEU 48 2HB LEU 48 -13.745 6.085 -1.056 355 2HB LEU 48 1HB LEU 48 -13.568 4.931 -2.363 356 HG LEU 48 HG LEU 48 -15.771 4.721 -1.443 357 1HD1 LEU 48 1HD1 LEU 48 -13.849 2.506 -0.920 358 2HD1 LEU 48 2HD1 LEU 48 -15.146 2.620 -2.111 359 3HD1 LEU 48 3HD1 LEU 48 -15.529 2.329 -0.414 360 1HD2 LEU 48 1HD2 LEU 48 -16.237 5.044 0.700 361 2HD2 LEU 48 2HD2 LEU 48 -14.523 5.355 0.978 362 3HD2 LEU 48 3HD2 LEU 48 -15.169 3.726 1.182 363 H GLU 49 H GLU 49 -11.321 5.163 -2.857 364 HA GLU 49 HA GLU 49 -11.039 2.628 -4.077 365 1HB GLU 49 2HB GLU 49 -9.544 5.205 -4.616 366 2HB GLU 49 1HB GLU 49 -9.552 3.801 -5.673 367 1HG GLU 49 2HG GLU 49 -12.040 5.302 -4.905 368 2HG GLU 49 1HG GLU 49 -11.081 5.673 -6.336 369 H LEU 50 H LEU 50 -8.851 4.649 -2.205 370 HA LEU 50 HA LEU 50 -6.455 3.339 -2.470 371 1HB LEU 50 2HB LEU 50 -7.739 4.938 -0.350 372 2HB LEU 50 1HB LEU 50 -6.399 3.943 0.177 373 HG LEU 50 HG LEU 50 -4.944 5.021 -1.490 374 1HD1 LEU 50 1HD1 LEU 50 -5.748 7.043 -2.647 375 2HD1 LEU 50 2HD1 LEU 50 -7.381 6.692 -2.078 376 3HD1 LEU 50 3HD1 LEU 50 -6.571 5.577 -3.179 377 1HD2 LEU 50 1HD2 LEU 50 -5.383 7.464 -0.448 378 2HD2 LEU 50 2HD2 LEU 50 -4.579 6.158 0.423 379 3HD2 LEU 50 3HD2 LEU 50 -6.294 6.471 0.691 380 H SER 51 H SER 51 -9.197 2.387 -0.431 381 HA SER 51 HA SER 51 -7.931 0.316 0.984 382 1HB SER 51 2HB SER 51 -10.085 1.085 1.716 383 2HB SER 51 1HB SER 51 -10.822 0.649 0.172 384 HG SER 51 HG SER 51 -10.453 -1.533 0.670 385 H HIS 52 H HIS 52 -9.976 0.073 -1.937 386 HA HIS 52 HA HIS 52 -9.734 -2.655 -2.359 387 1HB HIS 52 2HB HIS 52 -11.229 -1.059 -3.597 388 2HB HIS 52 1HB HIS 52 -9.826 -0.570 -4.543 389 HD1 HIS 52 HD1 HIS 52 -12.019 -3.607 -3.933 390 HD2 HIS 52 HD2 HIS 52 -9.154 -2.221 -6.593 391 HE1 HIS 52 HE1 HIS 52 -11.990 -5.244 -5.858 392 H ILE 53 H ILE 53 -7.661 -0.059 -3.625 393 HA ILE 53 HA ILE 53 -5.925 -1.446 -5.232 394 HB ILE 53 HB ILE 53 -5.197 0.731 -3.268 395 1HG1 ILE 53 2HG1 ILE 53 -7.021 1.358 -4.803 396 2HG1 ILE 53 1HG1 ILE 53 -5.553 2.273 -5.122 397 1HG2 ILE 53 1HG2 ILE 53 -3.706 -0.558 -5.499 398 2HG2 ILE 53 2HG2 ILE 53 -3.138 -0.025 -3.917 399 3HG2 ILE 53 3HG2 ILE 53 -3.463 1.160 -5.183 400 1HD1 ILE 53 1HD1 ILE 53 -5.860 1.724 -7.248 401 2HD1 ILE 53 2HD1 ILE 53 -7.038 0.476 -6.842 402 3HD1 ILE 53 3HD1 ILE 53 -5.314 0.109 -6.797 403 H TRP 54 H TRP 54 -5.561 -0.990 -1.700 404 HA TRP 54 HA TRP 54 -3.154 -2.278 -1.331 405 1HB TRP 54 2HB TRP 54 -4.303 -1.133 0.482 406 2HB TRP 54 1HB TRP 54 -5.549 -2.385 0.497 407 HD1 TRP 54 HD1 TRP 54 -4.985 -4.667 1.667 408 HE1 TRP 54 HE1 TRP 54 -3.034 -5.459 3.139 409 HE3 TRP 54 HE3 TRP 54 -1.716 -0.827 0.834 410 HZ2 TRP 54 HZ2 TRP 54 -0.453 -4.580 3.862 411 HZ3 TRP 54 HZ3 TRP 54 0.473 -0.877 1.952 412 HH2 TRP 54 HH2 TRP 54 1.093 -2.714 3.437 413 H GLU 55 H GLU 55 -6.364 -3.834 -1.101 414 HA GLU 55 HA GLU 55 -5.497 -6.411 -0.624 415 1HB GLU 55 2HB GLU 55 -7.866 -5.447 -2.217 416 2HB GLU 55 1HB GLU 55 -7.602 -7.139 -1.825 417 1HG GLU 55 2HG GLU 55 -8.287 -4.864 -0.015 418 2HG GLU 55 1HG GLU 55 -9.064 -6.437 -0.184 419 H LEU 56 H LEU 56 -5.950 -4.799 -3.738 420 HA LEU 56 HA LEU 56 -5.137 -7.012 -5.315 421 1HB LEU 56 2HB LEU 56 -5.427 -4.069 -5.822 422 2HB LEU 56 1HB LEU 56 -4.752 -5.117 -7.050 423 HG LEU 56 HG LEU 56 -6.826 -6.431 -7.080 424 1HD1 LEU 56 1HD1 LEU 56 -8.804 -5.198 -5.896 425 2HD1 LEU 56 2HD1 LEU 56 -7.527 -4.596 -4.839 426 3HD1 LEU 56 3HD1 LEU 56 -7.792 -6.331 -5.000 427 1HD2 LEU 56 1HD2 LEU 56 -7.318 -5.015 -8.719 428 2HD2 LEU 56 2HD2 LEU 56 -6.544 -3.674 -7.873 429 3HD2 LEU 56 3HD2 LEU 56 -8.232 -4.068 -7.546 430 H SER 57 H SER 57 -3.423 -4.320 -3.859 431 HA SER 57 HA SER 57 -0.949 -4.780 -5.192 432 1HB SER 57 2HB SER 57 -1.612 -3.255 -2.671 433 2HB SER 57 1HB SER 57 -0.033 -3.250 -3.447 434 HG SER 57 HG SER 57 -1.210 -2.491 -5.363 435 H ASP 58 H ASP 58 -2.344 -5.916 -2.164 436 HA ASP 58 HA ASP 58 0.191 -7.227 -1.465 437 1HB ASP 58 2HB ASP 58 -1.391 -5.943 0.203 438 2HB ASP 58 1HB ASP 58 -2.275 -7.465 0.226 439 H PHE 59 H PHE 59 -0.467 -8.368 -3.614 440 HA PHE 59 HA PHE 59 -2.358 -10.357 -3.839 441 1HB PHE 59 2HB PHE 59 0.040 -9.582 -5.152 442 2HB PHE 59 1HB PHE 59 0.087 -11.328 -4.943 443 HD1 PHE 59 HD1 PHE 59 -0.243 -12.124 -7.082 444 HD2 PHE 59 HD2 PHE 59 -2.858 -9.156 -5.523 445 HE1 PHE 59 HE1 PHE 59 -1.714 -12.409 -9.032 446 HE2 PHE 59 HE2 PHE 59 -4.337 -9.433 -7.466 447 HZ PHE 59 HZ PHE 59 -3.767 -11.060 -9.225 448 H ASP 60 H ASP 60 0.254 -10.255 -1.693 449 HA ASP 60 HA ASP 60 0.393 -13.148 -1.348 450 1HB ASP 60 2HB ASP 60 2.238 -12.475 0.263 451 2HB ASP 60 1HB ASP 60 2.499 -12.019 -1.421 452 H LYS 61 H LYS 61 -0.621 -10.235 0.329 453 HA LYS 61 HA LYS 61 -2.000 -9.936 2.113 454 1HB LYS 61 2HB LYS 61 -2.701 -12.520 1.124 455 2HB LYS 61 1HB LYS 61 -2.700 -12.583 2.882 456 1HG LYS 61 2HG LYS 61 -4.889 -11.985 1.858 457 2HG LYS 61 1HG LYS 61 -4.281 -10.817 3.028 458 1HD LYS 61 2HD LYS 61 -5.212 -9.686 1.089 459 2HD LYS 61 1HD LYS 61 -3.475 -9.405 1.202 460 1HE LYS 61 2HE LYS 61 -3.075 -11.092 -0.503 461 2HE LYS 61 1HE LYS 61 -4.804 -11.433 -0.592 462 1HZ LYS 61 1HZ LYS 61 -3.359 -9.480 -1.972 463 2HZ LYS 61 2HZ LYS 61 -4.421 -8.674 -0.939 464 3HZ LYS 61 3HZ LYS 61 -5.013 -9.794 -2.057 465 H ASP 62 H ASP 62 0.511 -9.741 2.616 466 HA ASP 62 HA ASP 62 1.220 -11.429 4.930 467 1HB ASP 62 2HB ASP 62 3.443 -10.273 4.722 468 2HB ASP 62 1HB ASP 62 3.006 -11.206 3.292 469 H GLY 63 H GLY 63 0.371 -8.214 3.941 470 1HA GLY 63 2HA GLY 63 -0.682 -6.699 5.515 471 2HA GLY 63 1HA GLY 63 0.372 -7.350 6.764 472 H ALA 64 H ALA 64 2.175 -7.094 4.013 473 HA ALA 64 HA ALA 64 2.917 -4.289 4.473 474 1HB ALA 64 1HB ALA 64 4.883 -4.724 5.412 475 2HB ALA 64 2HB ALA 64 5.306 -5.857 4.129 476 3HB ALA 64 3HB ALA 64 4.395 -6.415 5.532 477 H LEU 65 H LEU 65 3.821 -3.235 2.736 478 HA LEU 65 HA LEU 65 3.572 -4.631 0.176 479 1HB LEU 65 2HB LEU 65 3.174 -1.918 1.130 480 2HB LEU 65 1HB LEU 65 4.107 -1.975 -0.352 481 HG LEU 65 HG LEU 65 2.346 -3.079 -1.526 482 1HD1 LEU 65 1HD1 LEU 65 1.125 -4.561 -0.420 483 2HD1 LEU 65 2HD1 LEU 65 0.165 -3.198 0.153 484 3HD1 LEU 65 3HD1 LEU 65 1.490 -3.818 1.139 485 1HD2 LEU 65 1HD2 LEU 65 1.315 -0.827 0.186 486 2HD2 LEU 65 2HD2 LEU 65 0.469 -1.469 -1.222 487 3HD2 LEU 65 3HD2 LEU 65 2.050 -0.714 -1.414 488 H THR 66 H THR 66 5.284 -5.333 -0.832 489 HA THR 66 HA THR 66 7.935 -4.318 -0.155 490 HB THR 66 HB THR 66 8.790 -6.237 -1.433 491 HG1 THR 66 HG1 THR 66 6.084 -7.069 -1.754 492 1HG2 THR 66 1HG2 THR 66 7.585 -6.339 1.010 493 2HG2 THR 66 2HG2 THR 66 8.494 -7.665 0.283 494 3HG2 THR 66 3HG2 THR 66 6.737 -7.620 0.144 495 H LEU 67 H LEU 67 9.427 -3.754 -1.917 496 HA LEU 67 HA LEU 67 8.546 -1.821 -3.628 497 1HB LEU 67 2HB LEU 67 10.943 -2.504 -3.162 498 2HB LEU 67 1HB LEU 67 10.746 -3.767 -4.359 499 HG LEU 67 HG LEU 67 11.911 -1.901 -5.342 500 1HD1 LEU 67 1HD1 LEU 67 9.183 -1.608 -6.506 501 2HD1 LEU 67 2HD1 LEU 67 9.997 -3.172 -6.577 502 3HD1 LEU 67 3HD1 LEU 67 10.746 -1.753 -7.311 503 1HD2 LEU 67 1HD2 LEU 67 11.491 0.067 -4.347 504 2HD2 LEU 67 2HD2 LEU 67 9.817 -0.349 -3.987 505 3HD2 LEU 67 3HD2 LEU 67 10.259 0.214 -5.601 506 H ASP 68 H ASP 68 8.617 -5.306 -4.209 507 HA ASP 68 HA ASP 68 7.935 -5.441 -6.888 508 1HB ASP 68 2HB ASP 68 8.043 -7.164 -4.645 509 2HB ASP 68 1HB ASP 68 6.453 -7.380 -5.357 510 H GLU 69 H GLU 69 5.740 -5.464 -4.113 511 HA GLU 69 HA GLU 69 3.352 -5.253 -5.578 512 1HB GLU 69 2HB GLU 69 4.019 -4.504 -2.727 513 2HB GLU 69 1HB GLU 69 2.385 -4.640 -3.369 514 1HG GLU 69 2HG GLU 69 2.490 -6.916 -3.556 515 2HG GLU 69 1HG GLU 69 4.245 -6.941 -3.648 516 H PHE 70 H PHE 70 5.409 -2.830 -4.009 517 HA PHE 70 HA PHE 70 3.877 -0.562 -4.369 518 1HB PHE 70 2HB PHE 70 5.914 -0.318 -3.174 519 2HB PHE 70 1HB PHE 70 6.852 -1.029 -4.479 520 HD1 PHE 70 HD1 PHE 70 4.285 1.547 -5.018 521 HD2 PHE 70 HD2 PHE 70 8.437 0.709 -4.638 522 HE1 PHE 70 HE1 PHE 70 4.807 3.785 -5.901 523 HE2 PHE 70 HE2 PHE 70 8.969 2.940 -5.524 524 HZ PHE 70 HZ PHE 70 7.158 4.484 -6.146 525 H CYS 71 H CYS 71 6.123 -2.089 -6.632 526 HA CYS 71 HA CYS 71 5.958 -0.326 -8.766 527 1HB CYS 71 2HB CYS 71 7.001 -2.902 -8.254 528 2HB CYS 71 1HB CYS 71 6.061 -3.032 -9.735 529 HG CYS 71 HG CYS 71 8.912 -2.545 -10.090 530 H ALA 72 H ALA 72 4.021 -3.284 -8.291 531 HA ALA 72 HA ALA 72 2.311 -2.826 -10.506 532 1HB ALA 72 1HB ALA 72 1.562 -4.868 -10.028 533 2HB ALA 72 2HB ALA 72 1.077 -4.387 -8.402 534 3HB ALA 72 3HB ALA 72 2.738 -4.896 -8.714 535 H ALA 73 H ALA 73 1.980 -2.146 -7.059 536 HA ALA 73 HA ALA 73 -0.660 -1.220 -7.066 537 1HB ALA 73 1HB ALA 73 -0.092 -0.108 -4.967 538 2HB ALA 73 2HB ALA 73 1.625 -0.345 -5.298 539 3HB ALA 73 3HB ALA 73 0.580 -1.738 -5.017 540 H PHE 74 H PHE 74 2.382 0.634 -7.229 541 HA PHE 74 HA PHE 74 1.225 3.147 -7.624 542 1HB PHE 74 2HB PHE 74 3.686 2.535 -7.166 543 2HB PHE 74 1HB PHE 74 3.818 2.298 -8.905 544 HD1 PHE 74 HD1 PHE 74 2.359 4.849 -6.606 545 HD2 PHE 74 HD2 PHE 74 4.734 4.058 -10.045 546 HE1 PHE 74 HE1 PHE 74 2.741 7.262 -6.891 547 HE2 PHE 74 HE2 PHE 74 5.122 6.471 -10.337 548 HZ PHE 74 HZ PHE 74 4.126 8.076 -8.757 549 H HIS 75 H HIS 75 2.445 0.809 -10.027 550 HA HIS 75 HA HIS 75 1.765 2.206 -12.345 551 1HB HIS 75 2HB HIS 75 2.880 -0.218 -11.756 552 2HB HIS 75 1HB HIS 75 1.337 -0.701 -12.431 553 HD1 HIS 75 HD1 HIS 75 0.835 0.445 -14.909 554 HD2 HIS 75 HD2 HIS 75 4.771 0.272 -13.601 555 HE1 HIS 75 HE1 HIS 75 2.280 0.779 -16.957 556 H LEU 76 H LEU 76 -0.093 -0.338 -10.701 557 HA LEU 76 HA LEU 76 -2.376 -0.226 -12.270 558 1HB LEU 76 2HB LEU 76 -1.742 -1.922 -10.475 559 2HB LEU 76 1HB LEU 76 -2.384 -0.780 -9.310 560 HG LEU 76 HG LEU 76 -3.935 -2.023 -11.565 561 1HD1 LEU 76 1HD1 LEU 76 -4.283 -3.768 -10.244 562 2HD1 LEU 76 2HD1 LEU 76 -4.975 -2.703 -9.021 563 3HD1 LEU 76 3HD1 LEU 76 -3.247 -3.055 -9.009 564 1HD2 LEU 76 1HD2 LEU 76 -5.890 -1.075 -10.284 565 2HD2 LEU 76 2HD2 LEU 76 -4.872 0.101 -11.115 566 3HD2 LEU 76 3HD2 LEU 76 -4.719 -0.123 -9.372 567 H VAL 77 H VAL 77 -1.678 1.484 -9.228 568 HA VAL 77 HA VAL 77 -4.061 2.881 -8.970 569 HB VAL 77 HB VAL 77 -1.272 3.794 -8.254 570 1HG1 VAL 77 1HG1 VAL 77 -3.934 5.041 -7.866 571 2HG1 VAL 77 2HG1 VAL 77 -2.348 5.786 -8.072 572 3HG1 VAL 77 3HG1 VAL 77 -2.806 5.103 -6.512 573 1HG2 VAL 77 1HG2 VAL 77 -2.974 3.068 -6.051 574 2HG2 VAL 77 2HG2 VAL 77 -1.394 2.430 -6.505 575 3HG2 VAL 77 3HG2 VAL 77 -2.857 1.740 -7.205 576 H VAL 78 H VAL 78 -1.110 3.838 -10.701 577 HA VAL 78 HA VAL 78 -1.702 6.354 -11.534 578 HB VAL 78 HB VAL 78 -0.475 4.119 -13.144 579 1HG1 VAL 78 1HG1 VAL 78 0.526 6.428 -14.198 580 2HG1 VAL 78 2HG1 VAL 78 -1.162 6.856 -13.916 581 3HG1 VAL 78 3HG1 VAL 78 -0.759 5.459 -14.915 582 1HG2 VAL 78 1HG2 VAL 78 0.621 6.309 -11.404 583 2HG2 VAL 78 2HG2 VAL 78 1.612 5.487 -12.608 584 3HG2 VAL 78 3HG2 VAL 78 0.888 4.571 -11.290 585 H ALA 79 H ALA 79 -2.879 3.367 -13.084 586 HA ALA 79 HA ALA 79 -4.223 4.391 -15.251 587 1HB ALA 79 1HB ALA 79 -5.122 2.336 -15.458 588 2HB ALA 79 2HB ALA 79 -5.688 2.300 -13.788 589 3HB ALA 79 3HB ALA 79 -4.000 1.941 -14.155 590 H ARG 80 H ARG 80 -5.346 4.277 -11.906 591 HA ARG 80 HA ARG 80 -8.007 5.040 -12.312 592 1HB ARG 80 2HB ARG 80 -6.711 4.249 -10.179 593 2HB ARG 80 1HB ARG 80 -6.441 5.963 -9.925 594 1HG ARG 80 2HG ARG 80 -9.193 4.820 -10.295 595 2HG ARG 80 1HG ARG 80 -8.400 4.888 -8.724 596 1HD ARG 80 2HD ARG 80 -9.723 6.815 -8.803 597 2HD ARG 80 1HD ARG 80 -8.099 7.381 -9.175 598 HE ARG 80 HE ARG 80 -9.182 6.936 -11.608 599 1HH1 ARG 80 2HH1 ARG 80 -10.291 8.635 -8.844 600 2HH1 ARG 80 1HH1 ARG 80 -11.078 9.873 -9.760 601 1HH2 ARG 80 1HH2 ARG 80 -10.142 8.558 -12.824 602 2HH2 ARG 80 2HH2 ARG 80 -10.994 9.827 -12.019 603 H LYS 81 H LYS 81 -5.149 7.060 -11.631 604 HA LYS 81 HA LYS 81 -6.342 9.527 -11.476 605 1HB LYS 81 2HB LYS 81 -3.909 9.017 -11.155 606 2HB LYS 81 1HB LYS 81 -3.737 9.013 -12.906 607 1HG LYS 81 2HG LYS 81 -4.592 11.352 -12.928 608 2HG LYS 81 1HG LYS 81 -4.557 11.325 -11.166 609 1HD LYS 81 2HD LYS 81 -2.553 12.388 -12.044 610 2HD LYS 81 1HD LYS 81 -2.145 10.877 -11.229 611 1HE LYS 81 2HE LYS 81 -1.959 9.734 -13.342 612 2HE LYS 81 1HE LYS 81 -2.515 11.165 -14.208 613 1HZ LYS 81 1HZ LYS 81 -0.497 12.294 -13.184 614 2HZ LYS 81 2HZ LYS 81 -0.211 11.192 -14.435 615 3HZ LYS 81 3HZ LYS 81 0.062 10.738 -12.827 616 H ASN 82 H ASN 82 -5.416 7.805 -14.431 617 HA ASN 82 HA ASN 82 -6.331 9.966 -16.104 618 1HB ASN 82 2HB ASN 82 -5.277 7.214 -16.698 619 2HB ASN 82 1HB ASN 82 -5.878 8.287 -17.963 620 1HD2 ASN 82 1HD2 ASN 82 -4.422 9.511 -18.891 621 2HD2 ASN 82 2HD2 ASN 82 -2.922 10.013 -18.200 622 H GLY 83 H GLY 83 -7.427 6.553 -15.757 623 1HA GLY 83 2HA GLY 83 -10.120 7.087 -15.531 624 2HA GLY 83 1HA GLY 83 -9.814 7.129 -17.255 625 H TYR 84 H TYR 84 -8.597 4.945 -14.679 626 HA TYR 84 HA TYR 84 -9.813 2.740 -16.213 627 1HB TYR 84 2HB TYR 84 -7.068 3.073 -15.237 628 2HB TYR 84 1HB TYR 84 -7.789 1.525 -14.804 629 HD1 TYR 84 HD1 TYR 84 -7.784 3.726 -17.843 630 HD2 TYR 84 HD2 TYR 84 -7.241 -0.178 -16.241 631 HE1 TYR 84 HE1 TYR 84 -7.326 2.867 -20.104 632 HE2 TYR 84 HE2 TYR 84 -6.778 -1.047 -18.495 633 HH TYR 84 HH TYR 84 -7.503 -0.194 -20.976 634 H ASP 85 H ASP 85 -11.606 2.215 -15.087 635 HA ASP 85 HA ASP 85 -11.775 2.434 -12.249 636 1HB ASP 85 2HB ASP 85 -13.668 2.456 -14.084 637 2HB ASP 85 1HB ASP 85 -13.668 0.716 -13.799 638 H LEU 86 H LEU 86 -12.562 0.420 -10.935 639 HA LEU 86 HA LEU 86 -10.813 -1.825 -11.698 640 1HB LEU 86 2HB LEU 86 -11.406 -0.912 -8.889 641 2HB LEU 86 1HB LEU 86 -10.343 -2.227 -9.354 642 HG LEU 86 HG LEU 86 -9.110 -0.313 -10.700 643 1HD1 LEU 86 1HD1 LEU 86 -10.284 1.244 -8.409 644 2HD1 LEU 86 2HD1 LEU 86 -10.852 1.365 -10.074 645 3HD1 LEU 86 3HD1 LEU 86 -9.199 1.830 -9.671 646 1HD2 LEU 86 1HD2 LEU 86 -7.784 0.151 -8.557 647 2HD2 LEU 86 2HD2 LEU 86 -7.892 -1.518 -9.117 648 3HD2 LEU 86 3HD2 LEU 86 -8.905 -0.967 -7.784 649 HA PRO 87 HA PRO 87 -14.309 -4.492 -11.477 650 1HB PRO 87 2HB PRO 87 -13.020 -6.854 -11.151 651 2HB PRO 87 1HB PRO 87 -13.015 -5.967 -12.679 652 1HG PRO 87 2HG PRO 87 -10.916 -6.067 -10.546 653 2HG PRO 87 1HG PRO 87 -10.726 -6.146 -12.308 654 1HD PRO 87 2HD PRO 87 -10.303 -3.876 -10.880 655 2HD PRO 87 1HD PRO 87 -10.896 -3.863 -12.554 656 H GLU 88 H GLU 88 -15.544 -5.733 -9.977 657 HA GLU 88 HA GLU 88 -15.233 -5.013 -7.262 658 1HB GLU 88 2HB GLU 88 -16.956 -7.192 -8.452 659 2HB GLU 88 1HB GLU 88 -17.124 -6.532 -6.833 660 1HG GLU 88 2HG GLU 88 -17.698 -4.360 -7.763 661 2HG GLU 88 1HG GLU 88 -17.498 -4.996 -9.396 662 H LYS 89 H LYS 89 -12.810 -6.174 -7.746 663 HA LYS 89 HA LYS 89 -12.764 -8.932 -6.989 664 1HB LYS 89 2HB LYS 89 -10.919 -7.000 -7.962 665 2HB LYS 89 1HB LYS 89 -10.255 -7.670 -6.477 666 1HG LYS 89 2HG LYS 89 -11.287 -9.822 -7.988 667 2HG LYS 89 1HG LYS 89 -10.335 -8.811 -9.078 668 1HD LYS 89 2HD LYS 89 -8.446 -8.918 -7.528 669 2HD LYS 89 1HD LYS 89 -9.400 -9.919 -6.431 670 1HE LYS 89 2HE LYS 89 -8.652 -10.644 -9.260 671 2HE LYS 89 1HE LYS 89 -7.857 -11.251 -7.809 672 1HZ LYS 89 1HZ LYS 89 -10.645 -11.755 -8.689 673 2HZ LYS 89 2HZ LYS 89 -10.085 -12.141 -7.141 674 3HZ LYS 89 3HZ LYS 89 -9.399 -12.882 -8.497 675 H LEU 90 H LEU 90 -10.525 -8.666 -5.057 676 HA LEU 90 HA LEU 90 -11.981 -8.789 -2.679 677 1HB LEU 90 2HB LEU 90 -9.764 -9.765 -2.884 678 2HB LEU 90 1HB LEU 90 -9.055 -8.174 -3.089 679 HG LEU 90 HG LEU 90 -9.604 -7.574 -0.812 680 1HD1 LEU 90 1HD1 LEU 90 -11.723 -8.859 -0.695 681 2HD1 LEU 90 2HD1 LEU 90 -10.685 -9.065 0.717 682 3HD1 LEU 90 3HD1 LEU 90 -10.770 -10.332 -0.508 683 1HD2 LEU 90 1HD2 LEU 90 -8.325 -9.457 0.375 684 2HD2 LEU 90 2HD2 LEU 90 -7.505 -8.579 -0.917 685 3HD2 LEU 90 3HD2 LEU 90 -8.183 -10.177 -1.229 686 HA PRO 91 HA PRO 91 -12.492 -4.303 -2.365 687 1HB PRO 91 2HB PRO 91 -14.741 -4.337 -0.917 688 2HB PRO 91 1HB PRO 91 -14.751 -4.718 -2.644 689 1HG PRO 91 2HG PRO 91 -14.806 -6.574 -0.296 690 2HG PRO 91 1HG PRO 91 -15.743 -6.643 -1.801 691 1HD PRO 91 2HD PRO 91 -13.479 -8.126 -1.327 692 2HD PRO 91 1HD PRO 91 -14.050 -7.673 -2.943 693 H GLU 92 H GLU 92 -13.569 -6.088 0.525 694 HA GLU 92 HA GLU 92 -11.941 -4.282 2.147 695 1HB GLU 92 2HB GLU 92 -14.436 -5.741 2.565 696 2HB GLU 92 1HB GLU 92 -13.326 -5.851 3.927 697 1HG GLU 92 2HG GLU 92 -13.161 -3.405 3.967 698 2HG GLU 92 1HG GLU 92 -14.323 -3.319 2.644 699 H SER 93 H SER 93 -11.667 -5.790 4.431 700 HA SER 93 HA SER 93 -9.549 -7.650 3.617 701 1HB SER 93 2HB SER 93 -8.803 -5.938 5.149 702 2HB SER 93 1HB SER 93 -10.129 -6.287 6.257 703 HG SER 93 HG SER 93 -9.195 -8.278 6.709 704 H LEU 94 H LEU 94 -11.834 -8.802 3.125 705 HA LEU 94 HA LEU 94 -12.620 -10.389 5.450 706 1HB LEU 94 2HB LEU 94 -13.858 -10.105 2.713 707 2HB LEU 94 1HB LEU 94 -14.474 -11.161 3.971 708 HG LEU 94 HG LEU 94 -14.204 -8.178 4.332 709 1HD1 LEU 94 1HD1 LEU 94 -16.902 -9.190 4.002 710 2HD1 LEU 94 2HD1 LEU 94 -15.920 -9.414 2.554 711 3HD1 LEU 94 3HD1 LEU 94 -16.113 -7.804 3.249 712 1HD2 LEU 94 1HD2 LEU 94 -15.905 -8.612 6.112 713 2HD2 LEU 94 2HD2 LEU 94 -14.332 -9.344 6.420 714 3HD2 LEU 94 3HD2 LEU 94 -15.668 -10.339 5.843 715 H MET 95 H MET 95 -10.091 -10.922 4.479 716 HA MET 95 HA MET 95 -10.293 -13.730 3.980 717 1HB MET 95 2HB MET 95 -10.121 -12.082 1.712 718 2HB MET 95 1HB MET 95 -8.519 -12.780 1.924 719 1HG MET 95 2HG MET 95 -9.464 -15.013 1.934 720 2HG MET 95 1HG MET 95 -11.092 -14.345 1.803 721 1HE MET 95 1HE MET 95 -11.269 -12.929 -1.729 722 2HE MET 95 2HE MET 95 -10.476 -11.916 -0.524 723 3HE MET 95 3HE MET 95 -11.873 -12.888 -0.069 724 HA PRO 96 HA PRO 96 -6.442 -11.950 6.094 725 1HB PRO 96 2HB PRO 96 -7.090 -12.577 8.643 726 2HB PRO 96 1HB PRO 96 -7.563 -11.048 7.893 727 1HG PRO 96 2HG PRO 96 -9.173 -13.551 8.258 728 2HG PRO 96 1HG PRO 96 -9.645 -11.868 8.553 729 1HD PRO 96 2HD PRO 96 -10.344 -13.191 6.304 730 2HD PRO 96 1HD PRO 96 -10.013 -11.445 6.315 731 H LYS 97 HN LYS 97 -4.756 -13.300 6.135 732 HA LYS 97 HA LYS 97 -5.254 -16.157 6.613 733 1HB LYS 97 2HB LYS 97 -3.267 -14.674 4.962 734 2HB LYS 97 1HB LYS 97 -2.788 -16.224 5.636 735 1HG LYS 97 2HG LYS 97 -4.791 -17.235 4.565 736 2HG LYS 97 1HG LYS 97 -5.097 -15.684 3.781 737 1HD LYS 97 2HD LYS 97 -2.576 -17.319 3.496 738 2HD LYS 97 1HD LYS 97 -3.890 -17.271 2.322 739 1HE LYS 97 2HE LYS 97 -2.095 -15.811 1.618 740 2HE LYS 97 1HE LYS 97 -3.517 -14.858 2.029 741 1HZ LYS 97 1HZ LYS 97 -1.529 -15.295 4.129 742 2HZ LYS 97 2HZ LYS 97 -2.492 -13.938 3.821 743 3HZ LYS 97 3HZ LYS 97 -1.118 -14.227 2.879 Start of MODEL 8 1 1H TRP 6 1H TRP 6 -0.873 -6.264 -16.538 2 2H TRP 6 2H TRP 6 -0.248 -6.692 -18.050 3 3H TRP 6 3H TRP 6 -1.796 -6.018 -17.933 4 HA TRP 6 HA TRP 6 -0.778 -4.116 -18.472 5 1HB TRP 6 2HB TRP 6 0.003 -4.459 -15.565 6 2HB TRP 6 1HB TRP 6 0.049 -2.928 -16.430 7 HD1 TRP 6 HD1 TRP 6 -2.773 -5.609 -16.265 8 HE1 TRP 6 HE1 TRP 6 -4.942 -4.418 -15.553 9 HE3 TRP 6 HE3 TRP 6 -0.929 -0.887 -15.604 10 HZ2 TRP 6 HZ2 TRP 6 -5.762 -1.822 -14.815 11 HZ3 TRP 6 HZ3 TRP 6 -2.471 0.891 -14.895 12 HH2 TRP 6 HH2 TRP 6 -4.837 0.436 -14.511 13 H LYS 7 H LYS 7 1.027 -3.279 -19.424 14 HA LYS 7 HA LYS 7 3.503 -4.824 -19.148 15 1HB LYS 7 2HB LYS 7 2.148 -3.780 -21.352 16 2HB LYS 7 1HB LYS 7 3.528 -2.714 -21.150 17 1HG LYS 7 2HG LYS 7 4.105 -4.458 -22.680 18 2HG LYS 7 1HG LYS 7 5.013 -4.693 -21.186 19 1HD LYS 7 2HD LYS 7 4.186 -6.751 -21.008 20 2HD LYS 7 1HD LYS 7 2.548 -6.096 -20.965 21 1HE LYS 7 2HE LYS 7 4.123 -6.739 -23.454 22 2HE LYS 7 1HE LYS 7 2.833 -7.729 -22.773 23 1HZ LYS 7 1HZ LYS 7 2.343 -4.910 -23.487 24 2HZ LYS 7 2HZ LYS 7 1.234 -6.179 -23.347 25 3HZ LYS 7 3HZ LYS 7 2.282 -6.117 -24.671 26 H ILE 8 H ILE 8 5.086 -4.048 -17.879 27 HA ILE 8 HA ILE 8 5.131 -1.164 -17.278 28 HB ILE 8 HB ILE 8 6.353 -3.478 -15.776 29 1HG1 ILE 8 2HG1 ILE 8 4.179 -1.590 -14.885 30 2HG1 ILE 8 1HG1 ILE 8 3.830 -3.119 -15.684 31 1HG2 ILE 8 1HG2 ILE 8 7.376 -2.030 -14.341 32 2HG2 ILE 8 2HG2 ILE 8 6.213 -0.739 -14.639 33 3HG2 ILE 8 3HG2 ILE 8 7.473 -1.081 -15.824 34 1HD1 ILE 8 1HD1 ILE 8 4.893 -4.329 -13.889 35 2HD1 ILE 8 2HD1 ILE 8 3.659 -3.248 -13.242 36 3HD1 ILE 8 3HD1 ILE 8 5.366 -2.816 -13.116 37 H THR 9 H THR 9 6.715 0.055 -18.101 38 HA THR 9 HA THR 9 8.928 -1.251 -19.474 39 HB THR 9 HB THR 9 8.603 1.730 -19.284 40 HG1 THR 9 HG1 THR 9 6.665 1.355 -20.141 41 1HG2 THR 9 1HG2 THR 9 9.410 0.280 -21.745 42 2HG2 THR 9 2HG2 THR 9 10.552 0.305 -20.401 43 3HG2 THR 9 3HG2 THR 9 9.980 1.819 -21.101 44 H ASP 10 H ASP 10 10.944 -1.405 -18.721 45 HA ASP 10 HA ASP 10 11.710 -1.001 -16.128 46 1HB ASP 10 2HB ASP 10 12.941 -2.115 -18.145 47 2HB ASP 10 1HB ASP 10 13.663 -0.526 -18.370 48 H GLU 11 H GLU 11 11.832 1.259 -18.822 49 HA GLU 11 HA GLU 11 13.205 3.400 -17.695 50 1HB GLU 11 2HB GLU 11 11.589 2.893 -19.988 51 2HB GLU 11 1HB GLU 11 11.021 4.385 -19.256 52 1HG GLU 11 2HG GLU 11 13.887 3.847 -19.996 53 2HG GLU 11 1HG GLU 11 12.730 4.698 -21.019 54 H GLN 12 H GLN 12 9.808 2.504 -17.463 55 HA GLN 12 HA GLN 12 9.023 4.815 -15.990 56 1HB GLN 12 2HB GLN 12 7.737 2.200 -16.706 57 2HB GLN 12 1HB GLN 12 6.919 3.391 -15.709 58 1HG GLN 12 2HG GLN 12 7.080 5.034 -17.463 59 2HG GLN 12 1HG GLN 12 8.016 3.919 -18.454 60 1HE2 GLN 12 1HE2 GLN 12 5.060 5.196 -17.997 61 2HE2 GLN 12 2HE2 GLN 12 4.096 3.972 -18.736 62 H ARG 13 H ARG 13 9.817 1.490 -15.189 63 HA ARG 13 HA ARG 13 8.994 1.302 -12.592 64 1HB ARG 13 2HB ARG 13 10.248 -0.367 -14.074 65 2HB ARG 13 1HB ARG 13 11.718 0.382 -13.467 66 1HG ARG 13 2HG ARG 13 11.029 -0.171 -11.173 67 2HG ARG 13 1HG ARG 13 9.603 -0.990 -11.820 68 1HD ARG 13 2HD ARG 13 10.936 -2.595 -12.948 69 2HD ARG 13 1HD ARG 13 12.413 -1.690 -12.625 70 HE ARG 13 HE ARG 13 12.455 -2.549 -10.496 71 1HH1 ARG 13 2HH1 ARG 13 9.413 -3.420 -11.957 72 2HH1 ARG 13 1HH1 ARG 13 9.025 -4.545 -10.700 73 1HH2 ARG 13 1HH2 ARG 13 11.943 -3.996 -8.936 74 2HH2 ARG 13 2HH2 ARG 13 10.463 -4.883 -9.010 75 H GLN 14 H GLN 14 11.929 2.939 -13.759 76 HA GLN 14 HA GLN 14 12.882 3.562 -11.141 77 1HB GLN 14 2HB GLN 14 14.528 4.936 -12.284 78 2HB GLN 14 1HB GLN 14 14.386 3.371 -13.062 79 1HG GLN 14 2HG GLN 14 14.544 4.925 -14.805 80 2HG GLN 14 1HG GLN 14 12.838 4.495 -14.719 81 1HE2 GLN 14 1HE2 GLN 14 11.853 6.285 -15.419 82 2HE2 GLN 14 2HE2 GLN 14 12.063 7.861 -14.733 83 H TYR 15 H TYR 15 10.971 5.278 -13.527 84 HA TYR 15 HA TYR 15 11.031 7.855 -12.646 85 1HB TYR 15 2HB TYR 15 9.776 7.144 -14.592 86 2HB TYR 15 1HB TYR 15 8.651 6.250 -13.580 87 HD1 TYR 15 HD1 TYR 15 9.984 9.709 -13.163 88 HD2 TYR 15 HD2 TYR 15 6.607 7.240 -13.925 89 HE1 TYR 15 HE1 TYR 15 8.524 11.685 -13.065 90 HE2 TYR 15 HE2 TYR 15 5.135 9.206 -13.827 91 HH TYR 15 HH TYR 15 6.415 12.441 -13.701 92 H TYR 16 H TYR 16 8.893 5.306 -11.397 93 HA TYR 16 HA TYR 16 7.684 6.881 -9.378 94 1HB TYR 16 2HB TYR 16 8.100 3.888 -9.317 95 2HB TYR 16 1HB TYR 16 6.845 4.807 -8.498 96 HD1 TYR 16 HD1 TYR 16 6.617 6.562 -11.241 97 HD2 TYR 16 HD2 TYR 16 6.244 2.464 -10.160 98 HE1 TYR 16 HE1 TYR 16 5.118 6.200 -13.157 99 HE2 TYR 16 HE2 TYR 16 4.743 2.090 -12.070 100 HH TYR 16 HH TYR 16 3.511 4.724 -13.994 101 H VAL 17 H VAL 17 10.225 4.410 -9.208 102 HA VAL 17 HA VAL 17 10.848 4.550 -6.538 103 HB VAL 17 HB VAL 17 12.848 4.186 -8.770 104 1HG1 VAL 17 1HG1 VAL 17 12.927 2.963 -6.031 105 2HG1 VAL 17 2HG1 VAL 17 13.624 4.549 -6.357 106 3HG1 VAL 17 3HG1 VAL 17 14.232 3.128 -7.205 107 1HG2 VAL 17 1HG2 VAL 17 12.044 2.132 -9.172 108 2HG2 VAL 17 2HG2 VAL 17 10.574 2.700 -8.380 109 3HG2 VAL 17 3HG2 VAL 17 11.783 1.802 -7.460 110 H ASN 18 H ASN 18 11.891 6.729 -9.128 111 HA ASN 18 HA ASN 18 13.923 8.109 -7.955 112 1HB ASN 18 2HB ASN 18 11.796 8.726 -9.874 113 2HB ASN 18 1HB ASN 18 12.444 10.134 -9.053 114 1HD2 ASN 18 1HD2 ASN 18 12.921 7.838 -11.482 115 2HD2 ASN 18 2HD2 ASN 18 14.508 8.320 -11.962 116 H GLN 19 H GLN 19 10.454 8.459 -7.296 117 HA GLN 19 HA GLN 19 11.015 10.397 -5.171 118 1HB GLN 19 2HB GLN 19 8.504 9.452 -6.513 119 2HB GLN 19 1HB GLN 19 8.417 10.253 -4.952 120 1HG GLN 19 2HG GLN 19 9.745 12.139 -6.034 121 2HG GLN 19 1HG GLN 19 9.366 11.359 -7.570 122 1HE2 GLN 19 1HE2 GLN 19 7.774 12.420 -8.526 123 2HE2 GLN 19 2HE2 GLN 19 6.345 13.017 -7.760 124 H PHE 20 H PHE 20 9.223 7.331 -5.518 125 HA PHE 20 HA PHE 20 8.767 6.950 -2.784 126 1HB PHE 20 2HB PHE 20 8.212 5.515 -5.154 127 2HB PHE 20 1HB PHE 20 8.975 4.403 -4.020 128 HD1 PHE 20 HD1 PHE 20 7.445 3.161 -2.862 129 HD2 PHE 20 HD2 PHE 20 6.584 7.247 -3.683 130 HE1 PHE 20 HE1 PHE 20 5.342 2.967 -1.602 131 HE2 PHE 20 HE2 PHE 20 4.478 7.056 -2.427 132 HZ PHE 20 HZ PHE 20 3.862 4.920 -1.384 133 H LYS 21 H LYS 21 11.624 6.334 -4.652 134 HA LYS 21 HA LYS 21 12.859 4.330 -3.242 135 1HB LYS 21 2HB LYS 21 15.027 5.379 -3.845 136 2HB LYS 21 1HB LYS 21 13.914 5.277 -5.197 137 1HG LYS 21 2HG LYS 21 14.712 7.386 -5.479 138 2HG LYS 21 1HG LYS 21 13.300 7.719 -4.477 139 1HD LYS 21 2HD LYS 21 14.693 7.837 -2.498 140 2HD LYS 21 1HD LYS 21 16.114 7.391 -3.447 141 1HE LYS 21 2HE LYS 21 15.898 9.842 -2.975 142 2HE LYS 21 1HE LYS 21 16.033 9.423 -4.682 143 1HZ LYS 21 1HZ LYS 21 14.216 10.659 -4.945 144 2HZ LYS 21 2HZ LYS 21 13.878 10.703 -3.288 145 3HZ LYS 21 3HZ LYS 21 13.354 9.397 -4.226 146 H THR 22 H THR 22 12.179 7.569 -2.240 147 HA THR 22 HA THR 22 13.907 7.963 -0.110 148 HB THR 22 HB THR 22 10.947 8.602 -0.045 149 HG1 THR 22 HG1 THR 22 11.454 9.659 -1.831 150 1HG2 THR 22 1HG2 THR 22 12.481 10.698 1.012 151 2HG2 THR 22 2HG2 THR 22 13.172 9.221 1.681 152 3HG2 THR 22 3HG2 THR 22 11.457 9.568 1.900 153 H ILE 23 H ILE 23 11.078 5.942 -0.388 154 HA ILE 23 HA ILE 23 11.498 4.887 2.329 155 HB ILE 23 HB ILE 23 9.014 4.822 0.607 156 1HG1 ILE 23 2HG1 ILE 23 9.627 6.265 3.198 157 2HG1 ILE 23 1HG1 ILE 23 9.434 7.011 1.615 158 1HG2 ILE 23 1HG2 ILE 23 8.124 3.986 2.962 159 2HG2 ILE 23 2HG2 ILE 23 9.777 3.384 3.085 160 3HG2 ILE 23 3HG2 ILE 23 8.752 2.875 1.744 161 1HD1 ILE 23 1HD1 ILE 23 7.218 5.391 2.778 162 2HD1 ILE 23 2HD1 ILE 23 7.150 6.709 1.607 163 3HD1 ILE 23 3HD1 ILE 23 7.479 7.052 3.306 164 H GLN 24 H GLN 24 10.646 3.936 -0.996 165 HA GLN 24 HA GLN 24 11.384 1.157 -0.409 166 1HB GLN 24 2HB GLN 24 9.255 2.172 -1.759 167 2HB GLN 24 1HB GLN 24 10.367 1.869 -3.085 168 1HG GLN 24 2HG GLN 24 9.009 -0.046 -2.870 169 2HG GLN 24 1HG GLN 24 10.599 -0.474 -2.248 170 1HE2 GLN 24 1HE2 GLN 24 10.476 -1.714 -0.526 171 2HE2 GLN 24 2HE2 GLN 24 9.262 -1.644 0.698 172 HA PRO 25 HA PRO 25 15.188 2.738 -2.539 173 1HB PRO 25 2HB PRO 25 16.922 1.191 -1.151 174 2HB PRO 25 1HB PRO 25 16.321 2.741 -0.547 175 1HG PRO 25 2HG PRO 25 15.391 -0.033 0.105 176 2HG PRO 25 1HG PRO 25 15.692 1.330 1.199 177 1HD PRO 25 2HD PRO 25 13.205 0.662 0.387 178 2HD PRO 25 1HD PRO 25 13.681 2.346 0.691 179 H ASP 26 H ASP 26 14.873 -0.699 -1.541 180 HA ASP 26 HA ASP 26 15.120 -1.510 -4.306 181 1HB ASP 26 2HB ASP 26 17.430 -1.286 -3.276 182 2HB ASP 26 1HB ASP 26 16.996 -2.631 -2.232 183 H LEU 27 H LEU 27 14.870 -3.890 -4.509 184 HA LEU 27 HA LEU 27 12.519 -4.834 -3.521 185 1HB LEU 27 2HB LEU 27 14.946 -6.349 -4.437 186 2HB LEU 27 1HB LEU 27 13.454 -7.162 -4.005 187 HG LEU 27 HG LEU 27 12.288 -5.804 -5.761 188 1HD1 LEU 27 1HD1 LEU 27 14.889 -5.209 -7.042 189 2HD1 LEU 27 2HD1 LEU 27 14.379 -4.156 -5.726 190 3HD1 LEU 27 3HD1 LEU 27 13.352 -4.352 -7.143 191 1HD2 LEU 27 1HD2 LEU 27 12.749 -7.342 -7.389 192 2HD2 LEU 27 2HD2 LEU 27 13.455 -8.156 -5.992 193 3HD2 LEU 27 3HD2 LEU 27 14.491 -7.274 -7.115 194 H ASN 28 H ASN 28 15.283 -4.427 -1.628 195 HA ASN 28 HA ASN 28 14.477 -6.510 0.277 196 1HB ASN 28 2HB ASN 28 16.913 -6.169 -0.374 197 2HB ASN 28 1HB ASN 28 16.847 -4.653 0.522 198 1HD2 ASN 28 1HD2 ASN 28 17.423 -4.750 2.573 199 2HD2 ASN 28 2HD2 ASN 28 17.434 -6.169 3.552 200 H GLY 29 H GLY 29 13.128 -3.856 -0.345 201 1HA GLY 29 2HA GLY 29 12.970 -2.886 2.448 202 2HA GLY 29 1HA GLY 29 12.868 -1.801 1.067 203 H PHE 30 H PHE 30 10.890 -2.461 3.275 204 HA PHE 30 HA PHE 30 8.624 -3.005 1.471 205 1HB PHE 30 2HB PHE 30 8.820 -4.265 4.206 206 2HB PHE 30 1HB PHE 30 7.670 -4.626 2.921 207 HD1 PHE 30 HD1 PHE 30 11.051 -5.145 4.167 208 HD2 PHE 30 HD2 PHE 30 8.329 -5.954 0.999 209 HE1 PHE 30 HE1 PHE 30 12.553 -6.908 3.337 210 HE2 PHE 30 HE2 PHE 30 9.822 -7.721 0.164 211 HZ PHE 30 HZ PHE 30 11.936 -8.202 1.334 212 H ILE 31 H ILE 31 6.861 -1.803 1.821 213 HA ILE 31 HA ILE 31 6.916 0.185 3.969 214 HB ILE 31 HB ILE 31 5.576 0.003 1.309 215 1HG1 ILE 31 2HG1 ILE 31 6.768 2.406 2.680 216 2HG1 ILE 31 1HG1 ILE 31 7.765 1.233 1.816 217 1HG2 ILE 31 1HG2 ILE 31 4.325 2.164 2.193 218 2HG2 ILE 31 2HG2 ILE 31 4.433 1.294 3.724 219 3HG2 ILE 31 3HG2 ILE 31 3.628 0.551 2.341 220 1HD1 ILE 31 1HD1 ILE 31 7.398 2.837 0.209 221 2HD1 ILE 31 2HD1 ILE 31 5.750 3.155 0.752 222 3HD1 ILE 31 3HD1 ILE 31 6.115 1.679 -0.146 223 HA PRO 32 HA PRO 32 3.868 -2.463 6.016 224 1HB PRO 32 2HB PRO 32 3.621 -0.821 8.202 225 2HB PRO 32 1HB PRO 32 4.885 -2.044 8.029 226 1HG PRO 32 2HG PRO 32 5.018 0.903 7.539 227 2HG PRO 32 1HG PRO 32 6.212 -0.162 8.305 228 1HD PRO 32 2HD PRO 32 6.469 0.684 5.756 229 2HD PRO 32 1HD PRO 32 7.022 -0.923 6.275 230 H GLY 33 H GLY 33 1.600 -2.217 6.415 231 1HA GLY 33 2HA GLY 33 0.322 -0.321 4.748 232 2HA GLY 33 1HA GLY 33 -0.483 -1.380 5.889 233 H SER 34 H SER 34 1.911 1.116 6.681 234 HA SER 34 HA SER 34 -0.133 2.420 8.336 235 1HB SER 34 2HB SER 34 2.886 2.629 8.424 236 2HB SER 34 1HB SER 34 1.786 3.485 9.503 237 HG SER 34 HG SER 34 2.483 1.606 10.515 238 H ALA 35 H ALA 35 2.770 3.576 6.591 239 HA ALA 35 HA ALA 35 1.597 6.153 6.155 240 1HB ALA 35 1HB ALA 35 4.099 5.470 6.428 241 2HB ALA 35 2HB ALA 35 3.653 6.812 5.374 242 3HB ALA 35 3HB ALA 35 4.018 5.231 4.682 243 H ALA 36 H ALA 36 2.044 3.264 4.203 244 HA ALA 36 HA ALA 36 1.755 4.123 1.656 245 1HB ALA 36 1HB ALA 36 0.253 2.006 1.376 246 2HB ALA 36 2HB ALA 36 0.674 1.725 3.067 247 3HB ALA 36 3HB ALA 36 1.946 1.837 1.849 248 H LYS 37 H LYS 37 -0.910 3.772 3.987 249 HA LYS 37 HA LYS 37 -2.991 4.444 2.217 250 1HB LYS 37 2HB LYS 37 -2.717 3.842 4.970 251 2HB LYS 37 1HB LYS 37 -3.587 5.363 4.861 252 1HG LYS 37 2HG LYS 37 -5.198 3.636 4.900 253 2HG LYS 37 1HG LYS 37 -5.144 4.252 3.248 254 1HD LYS 37 2HD LYS 37 -5.237 1.830 3.227 255 2HD LYS 37 1HD LYS 37 -3.673 2.381 2.621 256 1HE LYS 37 2HE LYS 37 -2.606 1.866 4.695 257 2HE LYS 37 1HE LYS 37 -4.154 1.541 5.473 258 1HZ LYS 37 1HZ LYS 37 -2.519 -0.187 3.883 259 2HZ LYS 37 2HZ LYS 37 -4.119 -0.150 3.337 260 3HZ LYS 37 3HZ LYS 37 -3.783 -0.570 4.940 261 H GLU 38 H GLU 38 -1.336 6.490 4.642 262 HA GLU 38 HA GLU 38 -2.632 8.873 3.913 263 1HB GLU 38 2HB GLU 38 -0.487 8.067 5.662 264 2HB GLU 38 1HB GLU 38 -0.074 9.565 4.844 265 1HG GLU 38 2HG GLU 38 -2.187 10.548 5.616 266 2HG GLU 38 1HG GLU 38 -2.545 9.053 6.480 267 H PHE 39 H PHE 39 0.452 7.485 2.870 268 HA PHE 39 HA PHE 39 1.419 9.530 1.297 269 1HB PHE 39 2HB PHE 39 2.046 6.862 1.786 270 2HB PHE 39 1HB PHE 39 1.774 6.935 0.056 271 HD1 PHE 39 HD1 PHE 39 3.364 7.901 -1.388 272 HD2 PHE 39 HD2 PHE 39 3.725 8.405 2.821 273 HE1 PHE 39 HE1 PHE 39 5.619 8.838 -1.696 274 HE2 PHE 39 HE2 PHE 39 5.979 9.345 2.521 275 HZ PHE 39 HZ PHE 39 6.927 9.562 0.259 276 H PHE 40 H PHE 40 -0.637 6.795 0.275 277 HA PHE 40 HA PHE 40 -1.070 7.810 -2.334 278 1HB PHE 40 2HB PHE 40 -2.414 5.720 -0.660 279 2HB PHE 40 1HB PHE 40 -3.166 6.251 -2.158 280 HD1 PHE 40 HD1 PHE 40 -0.101 4.743 -0.739 281 HD2 PHE 40 HD2 PHE 40 -2.403 5.497 -4.237 282 HE1 PHE 40 HE1 PHE 40 1.352 3.224 -2.017 283 HE2 PHE 40 HE2 PHE 40 -0.957 3.976 -5.522 284 HZ PHE 40 HZ PHE 40 0.923 2.837 -4.411 285 H THR 41 H THR 41 -2.867 8.104 0.699 286 HA THR 41 HA THR 41 -5.202 9.265 -0.106 287 HB THR 41 HB THR 41 -3.481 10.050 2.249 288 HG1 THR 41 HG1 THR 41 -4.284 7.965 2.423 289 1HG2 THR 41 1HG2 THR 41 -4.795 11.893 2.283 290 2HG2 THR 41 2HG2 THR 41 -5.972 10.784 2.985 291 3HG2 THR 41 3HG2 THR 41 -6.036 11.160 1.263 292 H LYS 42 H LYS 42 -2.096 10.953 0.354 293 HA LYS 42 HA LYS 42 -3.094 13.486 -0.449 294 1HB LYS 42 2HB LYS 42 -0.490 12.349 0.231 295 2HB LYS 42 1HB LYS 42 -0.395 13.580 -1.022 296 1HG LYS 42 2HG LYS 42 -1.583 15.150 0.424 297 2HG LYS 42 1HG LYS 42 -1.687 13.917 1.681 298 1HD LYS 42 2HD LYS 42 0.861 15.079 0.549 299 2HD LYS 42 1HD LYS 42 0.142 15.492 2.107 300 1HE LYS 42 2HE LYS 42 0.422 12.646 1.880 301 2HE LYS 42 1HE LYS 42 1.965 13.426 1.537 302 1HZ LYS 42 1HZ LYS 42 0.316 13.938 3.958 303 2HZ LYS 42 2HZ LYS 42 1.855 14.563 3.638 304 3HZ LYS 42 3HZ LYS 42 1.655 12.905 3.904 305 H SER 43 H SER 43 -2.126 10.689 -2.217 306 HA SER 43 HA SER 43 -1.324 11.787 -4.653 307 1HB SER 43 2HB SER 43 -1.153 9.408 -4.344 308 2HB SER 43 1HB SER 43 -2.891 9.262 -4.086 309 HG SER 43 HG SER 43 -1.606 10.035 -6.503 310 H LYS 44 H LYS 44 -4.623 10.936 -3.580 311 HA LYS 44 HA LYS 44 -5.960 13.111 -4.479 312 1HB LYS 44 2HB LYS 44 -4.856 12.001 -6.727 313 2HB LYS 44 1HB LYS 44 -6.477 11.321 -6.744 314 1HG LYS 44 2HG LYS 44 -7.384 13.621 -6.527 315 2HG LYS 44 1HG LYS 44 -5.736 14.234 -6.685 316 1HD LYS 44 2HD LYS 44 -5.546 13.206 -8.881 317 2HD LYS 44 1HD LYS 44 -7.169 12.532 -8.721 318 1HE LYS 44 2HE LYS 44 -7.984 14.910 -8.453 319 2HE LYS 44 1HE LYS 44 -6.373 15.422 -8.957 320 1HZ LYS 44 1HZ LYS 44 -6.726 14.048 -10.996 321 2HZ LYS 44 2HZ LYS 44 -7.737 15.398 -10.872 322 3HZ LYS 44 3HZ LYS 44 -8.340 13.857 -10.525 323 H LEU 45 H LEU 45 -6.362 9.613 -5.147 324 HA LEU 45 HA LEU 45 -9.137 9.683 -4.517 325 1HB LEU 45 2HB LEU 45 -7.273 7.338 -4.826 326 2HB LEU 45 1HB LEU 45 -9.004 7.195 -4.587 327 HG LEU 45 HG LEU 45 -9.074 8.783 -6.707 328 1HD1 LEU 45 1HD1 LEU 45 -6.446 8.676 -6.596 329 2HD1 LEU 45 2HD1 LEU 45 -7.299 8.700 -8.136 330 3HD1 LEU 45 3HD1 LEU 45 -6.698 7.176 -7.482 331 1HD2 LEU 45 1HD2 LEU 45 -9.457 6.065 -6.204 332 2HD2 LEU 45 2HD2 LEU 45 -8.492 6.138 -7.679 333 3HD2 LEU 45 3HD2 LEU 45 -10.033 6.990 -7.591 334 HA PRO 46 HA PRO 46 -9.190 9.338 -0.155 335 1HB PRO 46 2HB PRO 46 -11.574 8.052 0.146 336 2HB PRO 46 1HB PRO 46 -11.429 9.767 -0.254 337 1HG PRO 46 2HG PRO 46 -11.937 7.436 -2.060 338 2HG PRO 46 1HG PRO 46 -12.704 9.034 -2.057 339 1HD PRO 46 2HD PRO 46 -10.763 8.376 -3.806 340 2HD PRO 46 1HD PRO 46 -10.931 10.022 -3.163 341 H ILE 47 H ILE 47 -8.600 7.972 1.431 342 HA ILE 47 HA ILE 47 -7.287 5.634 1.073 343 HB ILE 47 HB ILE 47 -7.308 6.804 3.206 344 1HG1 ILE 47 2HG1 ILE 47 -8.241 3.927 3.355 345 2HG1 ILE 47 1HG1 ILE 47 -6.581 4.506 3.286 346 1HG2 ILE 47 1HG2 ILE 47 -9.624 7.463 3.300 347 2HG2 ILE 47 2HG2 ILE 47 -9.225 6.538 4.748 348 3HG2 ILE 47 3HG2 ILE 47 -10.135 5.781 3.440 349 1HD1 ILE 47 1HD1 ILE 47 -6.776 4.051 5.509 350 2HD1 ILE 47 2HD1 ILE 47 -8.486 4.479 5.559 351 3HD1 ILE 47 3HD1 ILE 47 -7.262 5.746 5.493 352 H LEU 48 H LEU 48 -10.776 5.973 1.495 353 HA LEU 48 HA LEU 48 -11.602 3.433 2.023 354 1HB LEU 48 2HB LEU 48 -12.943 5.602 1.518 355 2HB LEU 48 1HB LEU 48 -12.955 5.018 -0.135 356 HG LEU 48 HG LEU 48 -15.014 4.378 0.889 357 1HD1 LEU 48 1HD1 LEU 48 -14.968 2.396 -0.102 358 2HD1 LEU 48 2HD1 LEU 48 -13.936 1.729 1.162 359 3HD1 LEU 48 3HD1 LEU 48 -13.218 2.554 -0.221 360 1HD2 LEU 48 1HD2 LEU 48 -15.240 3.821 3.033 361 2HD2 LEU 48 2HD2 LEU 48 -13.547 4.276 3.224 362 3HD2 LEU 48 3HD2 LEU 48 -13.980 2.592 2.928 363 H GLU 49 H GLU 49 -11.447 4.674 -1.320 364 HA GLU 49 HA GLU 49 -11.630 2.196 -2.595 365 1HB GLU 49 2HB GLU 49 -10.355 4.795 -3.458 366 2HB GLU 49 1HB GLU 49 -10.445 3.394 -4.510 367 1HG GLU 49 2HG GLU 49 -12.222 4.870 -5.074 368 2HG GLU 49 1HG GLU 49 -12.913 3.446 -4.307 369 H LEU 50 H LEU 50 -8.839 4.020 -1.454 370 HA LEU 50 HA LEU 50 -6.754 2.546 -2.500 371 1HB LEU 50 2HB LEU 50 -7.133 4.102 0.011 372 2HB LEU 50 1HB LEU 50 -5.715 3.080 -0.104 373 HG LEU 50 HG LEU 50 -5.234 5.397 -0.751 374 1HD1 LEU 50 1HD1 LEU 50 -3.710 4.073 -1.790 375 2HD1 LEU 50 2HD1 LEU 50 -4.506 4.737 -3.217 376 3HD1 LEU 50 3HD1 LEU 50 -4.937 3.128 -2.634 377 1HD2 LEU 50 1HD2 LEU 50 -6.445 5.439 -3.335 378 2HD2 LEU 50 2HD2 LEU 50 -6.618 6.590 -2.009 379 3HD2 LEU 50 3HD2 LEU 50 -7.695 5.199 -2.117 380 H SER 51 H SER 51 -8.851 1.806 0.237 381 HA SER 51 HA SER 51 -7.514 -0.331 1.371 382 1HB SER 51 2HB SER 51 -9.598 0.459 2.325 383 2HB SER 51 1HB SER 51 -10.487 -0.018 0.878 384 HG SER 51 HG SER 51 -10.016 -2.184 1.364 385 H HIS 52 H HIS 52 -9.650 -0.325 -1.460 386 HA HIS 52 HA HIS 52 -9.484 -3.088 -2.013 387 1HB HIS 52 2HB HIS 52 -11.220 -1.715 -3.001 388 2HB HIS 52 1HB HIS 52 -10.018 -0.735 -3.833 389 HD1 HIS 52 HD1 HIS 52 -10.624 -4.516 -3.743 390 HD2 HIS 52 HD2 HIS 52 -10.079 -1.376 -6.407 391 HE1 HIS 52 HE1 HIS 52 -10.679 -5.531 -6.058 392 H ILE 53 H ILE 53 -7.695 -0.318 -3.359 393 HA ILE 53 HA ILE 53 -6.040 -1.658 -5.129 394 HB ILE 53 HB ILE 53 -5.245 0.657 -3.344 395 1HG1 ILE 53 2HG1 ILE 53 -6.464 0.640 -6.115 396 2HG1 ILE 53 1HG1 ILE 53 -7.256 1.174 -4.635 397 1HG2 ILE 53 1HG2 ILE 53 -3.565 1.152 -5.016 398 2HG2 ILE 53 2HG2 ILE 53 -4.086 -0.229 -5.980 399 3HG2 ILE 53 3HG2 ILE 53 -3.345 -0.487 -4.401 400 1HD1 ILE 53 1HD1 ILE 53 -6.589 3.211 -5.246 401 2HD1 ILE 53 2HD1 ILE 53 -5.394 2.581 -6.379 402 3HD1 ILE 53 3HD1 ILE 53 -5.000 2.711 -4.665 403 H TRP 54 H TRP 54 -5.440 -0.965 -1.675 404 HA TRP 54 HA TRP 54 -2.981 -2.185 -1.403 405 1HB TRP 54 2HB TRP 54 -4.097 -0.964 0.425 406 2HB TRP 54 1HB TRP 54 -5.249 -2.287 0.598 407 HD1 TRP 54 HD1 TRP 54 -4.397 -4.516 1.786 408 HE1 TRP 54 HE1 TRP 54 -2.318 -5.042 3.208 409 HE3 TRP 54 HE3 TRP 54 -1.607 -0.359 0.736 410 HZ2 TRP 54 HZ2 TRP 54 0.161 -3.849 3.823 411 HZ3 TRP 54 HZ3 TRP 54 0.602 -0.126 1.788 412 HH2 TRP 54 HH2 TRP 54 1.469 -1.835 3.301 413 H GLU 55 H GLU 55 -6.164 -3.759 -0.911 414 HA GLU 55 HA GLU 55 -5.236 -6.326 -0.451 415 1HB GLU 55 2HB GLU 55 -7.744 -5.450 -1.896 416 2HB GLU 55 1HB GLU 55 -7.430 -7.102 -1.385 417 1HG GLU 55 2HG GLU 55 -7.329 -6.377 0.938 418 2HG GLU 55 1HG GLU 55 -7.625 -4.713 0.435 419 H LEU 56 H LEU 56 -6.202 -4.965 -3.626 420 HA LEU 56 HA LEU 56 -5.329 -7.183 -5.136 421 1HB LEU 56 2HB LEU 56 -5.828 -4.305 -5.782 422 2HB LEU 56 1HB LEU 56 -5.102 -5.354 -6.985 423 HG LEU 56 HG LEU 56 -7.038 -6.845 -6.875 424 1HD1 LEU 56 1HD1 LEU 56 -9.018 -6.184 -5.603 425 2HD1 LEU 56 2HD1 LEU 56 -8.121 -4.828 -4.919 426 3HD1 LEU 56 3HD1 LEU 56 -7.635 -6.482 -4.548 427 1HD2 LEU 56 1HD2 LEU 56 -8.270 -4.166 -7.205 428 2HD2 LEU 56 2HD2 LEU 56 -8.336 -5.581 -8.256 429 3HD2 LEU 56 3HD2 LEU 56 -6.891 -4.570 -8.227 430 H SER 57 H SER 57 -3.634 -4.581 -3.666 431 HA SER 57 HA SER 57 -1.228 -4.934 -5.216 432 1HB SER 57 2HB SER 57 -1.754 -3.303 -2.729 433 2HB SER 57 1HB SER 57 -0.303 -3.226 -3.723 434 HG SER 57 HG SER 57 -2.897 -2.744 -4.741 435 H ASP 58 H ASP 58 -2.532 -6.093 -2.195 436 HA ASP 58 HA ASP 58 0.082 -7.153 -1.408 437 1HB ASP 58 2HB ASP 58 -1.730 -5.940 0.122 438 2HB ASP 58 1HB ASP 58 -2.345 -7.584 0.271 439 H PHE 59 H PHE 59 -0.301 -8.583 -3.458 440 HA PHE 59 HA PHE 59 -2.104 -10.654 -3.586 441 1HB PHE 59 2HB PHE 59 0.665 -10.262 -4.548 442 2HB PHE 59 1HB PHE 59 0.072 -11.919 -4.536 443 HD1 PHE 59 HD1 PHE 59 -1.391 -8.590 -5.406 444 HD2 PHE 59 HD2 PHE 59 -0.644 -12.611 -6.578 445 HE1 PHE 59 HE1 PHE 59 -2.587 -8.193 -7.521 446 HE2 PHE 59 HE2 PHE 59 -1.837 -12.222 -8.694 447 HZ PHE 59 HZ PHE 59 -2.809 -10.010 -9.168 448 H ASP 60 H ASP 60 0.322 -10.197 -1.239 449 HA ASP 60 HA ASP 60 0.324 -13.006 -0.436 450 1HB ASP 60 2HB ASP 60 2.022 -12.112 1.257 451 2HB ASP 60 1HB ASP 60 2.497 -12.041 -0.437 452 H LYS 61 H LYS 61 -0.879 -9.869 0.488 453 HA LYS 61 HA LYS 61 -2.321 -9.165 2.095 454 1HB LYS 61 2HB LYS 61 -3.193 -11.793 1.383 455 2HB LYS 61 1HB LYS 61 -3.429 -11.570 3.113 456 1HG LYS 61 2HG LYS 61 -4.494 -9.812 0.909 457 2HG LYS 61 1HG LYS 61 -5.422 -10.894 1.952 458 1HD LYS 61 2HD LYS 61 -4.808 -9.570 3.900 459 2HD LYS 61 1HD LYS 61 -3.820 -8.517 2.888 460 1HE LYS 61 2HE LYS 61 -5.848 -7.855 1.648 461 2HE LYS 61 1HE LYS 61 -6.818 -8.852 2.734 462 1HZ LYS 61 1HZ LYS 61 -5.798 -6.225 3.128 463 2HZ LYS 61 2HZ LYS 61 -5.297 -7.255 4.373 464 3HZ LYS 61 3HZ LYS 61 -6.950 -7.073 4.041 465 H ASP 62 H ASP 62 0.179 -9.253 2.935 466 HA ASP 62 HA ASP 62 0.248 -10.674 5.505 467 1HB ASP 62 2HB ASP 62 2.618 -10.179 5.498 468 2HB ASP 62 1HB ASP 62 2.160 -10.850 3.936 469 H GLY 63 H GLY 63 0.708 -7.428 4.169 470 1HA GLY 63 2HA GLY 63 -0.527 -5.709 5.656 471 2HA GLY 63 1HA GLY 63 0.551 -6.325 6.905 472 H ALA 64 H ALA 64 2.645 -6.748 4.795 473 HA ALA 64 HA ALA 64 3.622 -3.977 4.725 474 1HB ALA 64 1HB ALA 64 5.866 -5.061 4.443 475 2HB ALA 64 2HB ALA 64 5.073 -6.614 4.706 476 3HB ALA 64 3HB ALA 64 5.068 -5.397 5.981 477 H LEU 65 H LEU 65 4.275 -3.044 2.845 478 HA LEU 65 HA LEU 65 3.553 -4.432 0.383 479 1HB LEU 65 2HB LEU 65 3.290 -1.764 1.335 480 2HB LEU 65 1HB LEU 65 4.308 -1.740 -0.090 481 HG LEU 65 HG LEU 65 2.598 -2.806 -1.409 482 1HD1 LEU 65 1HD1 LEU 65 0.314 -2.753 0.192 483 2HD1 LEU 65 2HD1 LEU 65 1.555 -3.546 1.161 484 3HD1 LEU 65 3HD1 LEU 65 1.149 -4.173 -0.436 485 1HD2 LEU 65 1HD2 LEU 65 1.993 -0.682 -1.720 486 2HD2 LEU 65 2HD2 LEU 65 2.177 -0.297 -0.009 487 3HD2 LEU 65 3HD2 LEU 65 0.675 -1.014 -0.594 488 H THR 66 H THR 66 5.058 -5.212 -0.930 489 HA THR 66 HA THR 66 7.852 -4.524 -0.450 490 HB THR 66 HB THR 66 8.494 -6.377 -1.676 491 HG1 THR 66 HG1 THR 66 6.243 -7.260 -2.847 492 1HG2 THR 66 1HG2 THR 66 5.830 -7.439 -0.838 493 2HG2 THR 66 2HG2 THR 66 6.934 -6.802 0.381 494 3HG2 THR 66 3HG2 THR 66 7.432 -8.150 -0.641 495 H LEU 67 H LEU 67 9.227 -3.634 -1.966 496 HA LEU 67 HA LEU 67 8.417 -1.488 -3.382 497 1HB LEU 67 2HB LEU 67 10.788 -2.447 -2.972 498 2HB LEU 67 1HB LEU 67 10.569 -3.272 -4.501 499 HG LEU 67 HG LEU 67 10.624 -0.289 -4.047 500 1HD1 LEU 67 1HD1 LEU 67 12.506 -0.850 -5.901 501 2HD1 LEU 67 2HD1 LEU 67 12.567 -2.312 -4.919 502 3HD1 LEU 67 3HD1 LEU 67 12.823 -0.737 -4.170 503 1HD2 LEU 67 1HD2 LEU 67 10.732 -0.818 -6.778 504 2HD2 LEU 67 2HD2 LEU 67 9.400 -0.075 -5.889 505 3HD2 LEU 67 3HD2 LEU 67 9.413 -1.819 -6.172 506 H ASP 68 H ASP 68 8.597 -4.822 -4.729 507 HA ASP 68 HA ASP 68 7.711 -4.057 -7.295 508 1HB ASP 68 2HB ASP 68 8.425 -6.480 -6.080 509 2HB ASP 68 1HB ASP 68 6.775 -6.689 -6.654 510 H GLU 69 H GLU 69 5.914 -5.173 -4.442 511 HA GLU 69 HA GLU 69 3.377 -5.226 -5.590 512 1HB GLU 69 2HB GLU 69 4.288 -4.391 -2.826 513 2HB GLU 69 1HB GLU 69 2.592 -4.526 -3.265 514 1HG GLU 69 2HG GLU 69 2.910 -6.906 -3.741 515 2HG GLU 69 1HG GLU 69 4.611 -6.764 -3.294 516 H PHE 70 H PHE 70 5.351 -2.649 -4.301 517 HA PHE 70 HA PHE 70 3.633 -0.444 -4.599 518 1HB PHE 70 2HB PHE 70 5.601 -0.154 -3.304 519 2HB PHE 70 1HB PHE 70 6.623 -0.791 -4.577 520 HD1 PHE 70 HD1 PHE 70 8.155 0.915 -4.898 521 HD2 PHE 70 HD2 PHE 70 3.989 1.795 -4.897 522 HE1 PHE 70 HE1 PHE 70 8.638 3.188 -5.704 523 HE2 PHE 70 HE2 PHE 70 4.466 4.073 -5.697 524 HZ PHE 70 HZ PHE 70 6.799 4.775 -6.090 525 H CYS 71 H CYS 71 6.229 -1.585 -6.739 526 HA CYS 71 HA CYS 71 5.868 0.217 -8.833 527 1HB CYS 71 2HB CYS 71 7.352 -2.173 -8.386 528 2HB CYS 71 1HB CYS 71 6.546 -2.328 -9.945 529 HG CYS 71 HG CYS 71 8.555 0.302 -9.098 530 H ALA 72 H ALA 72 4.435 -2.994 -8.388 531 HA ALA 72 HA ALA 72 2.916 -2.980 -10.769 532 1HB ALA 72 1HB ALA 72 3.232 -4.681 -8.457 533 2HB ALA 72 2HB ALA 72 2.792 -5.099 -10.115 534 3HB ALA 72 3HB ALA 72 1.548 -4.599 -8.969 535 H ALA 73 H ALA 73 1.936 -2.321 -7.405 536 HA ALA 73 HA ALA 73 -0.739 -1.714 -7.945 537 1HB ALA 73 1HB ALA 73 -0.804 -0.740 -5.740 538 2HB ALA 73 2HB ALA 73 0.955 -0.624 -5.705 539 3HB ALA 73 3HB ALA 73 0.175 -2.206 -5.711 540 H PHE 74 H PHE 74 2.042 0.511 -7.621 541 HA PHE 74 HA PHE 74 0.631 2.893 -7.929 542 1HB PHE 74 2HB PHE 74 3.078 2.625 -7.320 543 2HB PHE 74 1HB PHE 74 3.397 2.410 -9.038 544 HD1 PHE 74 HD1 PHE 74 3.944 4.257 -10.284 545 HD2 PHE 74 HD2 PHE 74 1.679 4.773 -6.723 546 HE1 PHE 74 HE1 PHE 74 4.073 6.695 -10.563 547 HE2 PHE 74 HE2 PHE 74 1.799 7.215 -6.995 548 HZ PHE 74 HZ PHE 74 2.998 8.180 -8.918 549 H HIS 75 H HIS 75 2.107 0.823 -10.415 550 HA HIS 75 HA HIS 75 1.585 2.351 -12.667 551 1HB HIS 75 2HB HIS 75 2.536 -0.183 -12.109 552 2HB HIS 75 1HB HIS 75 1.073 -0.505 -13.020 553 HD1 HIS 75 HD1 HIS 75 3.586 2.291 -13.626 554 HD2 HIS 75 HD2 HIS 75 2.079 -1.109 -15.464 555 HE1 HIS 75 HE1 HIS 75 4.611 2.214 -15.930 556 H LEU 76 H LEU 76 -0.460 -0.178 -11.224 557 HA LEU 76 HA LEU 76 -2.635 0.071 -12.936 558 1HB LEU 76 2HB LEU 76 -2.134 -1.641 -11.087 559 2HB LEU 76 1HB LEU 76 -2.925 -0.506 -10.010 560 HG LEU 76 HG LEU 76 -4.179 -1.788 -12.427 561 1HD1 LEU 76 1HD1 LEU 76 -4.465 -2.341 -9.483 562 2HD1 LEU 76 2HD1 LEU 76 -3.873 -3.438 -10.731 563 3HD1 LEU 76 3HD1 LEU 76 -5.569 -2.954 -10.714 564 1HD2 LEU 76 1HD2 LEU 76 -6.271 -0.873 -11.137 565 2HD2 LEU 76 2HD2 LEU 76 -5.363 0.169 -12.235 566 3HD2 LEU 76 3HD2 LEU 76 -5.103 0.281 -10.494 567 H VAL 77 H VAL 77 -2.098 1.648 -9.792 568 HA VAL 77 HA VAL 77 -4.438 3.126 -9.655 569 HB VAL 77 HB VAL 77 -1.705 4.018 -8.727 570 1HG1 VAL 77 1HG1 VAL 77 -3.283 5.081 -6.923 571 2HG1 VAL 77 2HG1 VAL 77 -4.479 4.988 -8.216 572 3HG1 VAL 77 3HG1 VAL 77 -2.991 5.905 -8.454 573 1HG2 VAL 77 1HG2 VAL 77 -3.426 2.953 -6.681 574 2HG2 VAL 77 2HG2 VAL 77 -1.794 2.463 -7.136 575 3HG2 VAL 77 3HG2 VAL 77 -3.187 1.767 -7.964 576 H VAL 78 H VAL 78 -1.425 3.907 -11.315 577 HA VAL 78 HA VAL 78 -1.796 6.511 -12.059 578 HB VAL 78 HB VAL 78 -0.753 4.263 -13.784 579 1HG1 VAL 78 1HG1 VAL 78 -0.874 5.841 -15.391 580 2HG1 VAL 78 2HG1 VAL 78 0.586 6.450 -14.612 581 3HG1 VAL 78 3HG1 VAL 78 -0.982 7.166 -14.234 582 1HG2 VAL 78 1HG2 VAL 78 0.255 5.467 -11.427 583 2HG2 VAL 78 2HG2 VAL 78 1.270 5.990 -12.771 584 3HG2 VAL 78 3HG2 VAL 78 1.031 4.270 -12.464 585 H ALA 79 H ALA 79 -3.153 3.658 -13.695 586 HA ALA 79 HA ALA 79 -4.382 4.808 -15.864 587 1HB ALA 79 1HB ALA 79 -4.560 2.357 -14.452 588 2HB ALA 79 2HB ALA 79 -5.089 2.713 -16.097 589 3HB ALA 79 3HB ALA 79 -6.205 2.922 -14.747 590 H ARG 80 H ARG 80 -5.403 4.836 -12.517 591 HA ARG 80 HA ARG 80 -8.010 5.675 -12.653 592 1HB ARG 80 2HB ARG 80 -6.479 5.191 -10.621 593 2HB ARG 80 1HB ARG 80 -6.101 6.906 -10.687 594 1HG ARG 80 2HG ARG 80 -7.851 6.598 -9.103 595 2HG ARG 80 1HG ARG 80 -8.554 7.366 -10.532 596 1HD ARG 80 2HD ARG 80 -9.970 5.542 -9.696 597 2HD ARG 80 1HD ARG 80 -9.363 5.210 -11.318 598 HE ARG 80 HE ARG 80 -7.656 4.092 -9.346 599 1HH1 ARG 80 2HH1 ARG 80 -10.637 3.604 -11.008 600 2HH1 ARG 80 1HH1 ARG 80 -10.656 1.902 -10.731 601 1HH2 ARG 80 1HH2 ARG 80 -7.682 1.878 -8.975 602 2HH2 ARG 80 2HH2 ARG 80 -8.994 0.931 -9.578 603 H LYS 81 H LYS 81 -5.127 7.496 -13.349 604 HA LYS 81 HA LYS 81 -5.940 10.111 -13.125 605 1HB LYS 81 2HB LYS 81 -3.681 9.486 -13.785 606 2HB LYS 81 1HB LYS 81 -4.278 8.863 -15.318 607 1HG LYS 81 2HG LYS 81 -5.049 11.174 -15.871 608 2HG LYS 81 1HG LYS 81 -4.235 11.731 -14.406 609 1HD LYS 81 2HD LYS 81 -2.104 10.997 -15.240 610 2HD LYS 81 1HD LYS 81 -2.864 10.233 -16.637 611 1HE LYS 81 2HE LYS 81 -3.656 12.487 -17.353 612 2HE LYS 81 1HE LYS 81 -2.726 13.186 -16.025 613 1HZ LYS 81 1HZ LYS 81 -1.553 13.207 -18.188 614 2HZ LYS 81 2HZ LYS 81 -1.552 11.516 -18.180 615 3HZ LYS 81 3HZ LYS 81 -0.710 12.366 -16.984 616 H ASN 82 H ASN 82 -6.755 7.790 -15.630 617 HA ASN 82 HA ASN 82 -8.246 9.815 -17.123 618 1HB ASN 82 2HB ASN 82 -7.741 6.900 -17.748 619 2HB ASN 82 1HB ASN 82 -8.470 8.085 -18.834 620 1HD2 ASN 82 1HD2 ASN 82 -5.627 6.631 -17.874 621 2HD2 ASN 82 2HD2 ASN 82 -4.519 7.716 -18.634 622 H GLY 83 H GLY 83 -8.869 6.569 -15.762 623 1HA GLY 83 2HA GLY 83 -10.950 6.595 -14.282 624 2HA GLY 83 1HA GLY 83 -11.740 7.259 -15.703 625 H TYR 84 H TYR 84 -11.465 4.509 -14.005 626 HA TYR 84 HA TYR 84 -12.383 2.897 -16.194 627 1HB TYR 84 2HB TYR 84 -9.713 2.293 -14.917 628 2HB TYR 84 1HB TYR 84 -10.629 1.119 -15.857 629 HD1 TYR 84 HD1 TYR 84 -10.903 1.399 -18.267 630 HD2 TYR 84 HD2 TYR 84 -8.582 4.141 -15.989 631 HE1 TYR 84 HE1 TYR 84 -9.924 2.283 -20.343 632 HE2 TYR 84 HE2 TYR 84 -7.596 5.037 -18.057 633 HH TYR 84 HH TYR 84 -8.583 3.811 -21.240 634 H ASP 85 H ASP 85 -13.414 1.011 -15.555 635 HA ASP 85 HA ASP 85 -14.667 1.038 -13.068 636 1HB ASP 85 2HB ASP 85 -15.383 -0.095 -15.252 637 2HB ASP 85 1HB ASP 85 -14.335 -1.425 -14.777 638 H LEU 86 H LEU 86 -14.657 -1.459 -11.969 639 HA LEU 86 HA LEU 86 -11.869 -2.014 -11.229 640 1HB LEU 86 2HB LEU 86 -14.128 -1.501 -9.298 641 2HB LEU 86 1HB LEU 86 -12.565 -2.153 -8.844 642 HG LEU 86 HG LEU 86 -13.045 0.575 -10.046 643 1HD1 LEU 86 1HD1 LEU 86 -13.613 -0.087 -7.523 644 2HD1 LEU 86 2HD1 LEU 86 -12.934 1.477 -7.974 645 3HD1 LEU 86 3HD1 LEU 86 -11.882 0.205 -7.353 646 1HD2 LEU 86 1HD2 LEU 86 -10.925 0.269 -10.727 647 2HD2 LEU 86 2HD2 LEU 86 -10.633 -1.045 -9.587 648 3HD2 LEU 86 3HD2 LEU 86 -10.548 0.631 -9.043 649 HA PRO 87 HA PRO 87 -13.882 -6.073 -11.846 650 1HB PRO 87 2HB PRO 87 -11.778 -7.250 -13.019 651 2HB PRO 87 1HB PRO 87 -12.826 -6.139 -13.911 652 1HG PRO 87 2HG PRO 87 -10.139 -5.645 -12.691 653 2HG PRO 87 1HG PRO 87 -10.774 -5.101 -14.253 654 1HD PRO 87 2HD PRO 87 -10.676 -3.543 -11.987 655 2HD PRO 87 1HD PRO 87 -11.808 -3.285 -13.330 656 H GLU 88 H GLU 88 -13.901 -7.575 -10.234 657 HA GLU 88 HA GLU 88 -12.209 -7.495 -8.032 658 1HB GLU 88 2HB GLU 88 -13.925 -9.758 -9.052 659 2HB GLU 88 1HB GLU 88 -13.200 -9.702 -7.449 660 1HG GLU 88 2HG GLU 88 -14.441 -7.611 -7.009 661 2HG GLU 88 1HG GLU 88 -15.224 -7.783 -8.578 662 H LYS 89 H LYS 89 -10.190 -8.081 -7.731 663 HA LYS 89 HA LYS 89 -8.887 -9.907 -9.612 664 1HB LYS 89 2HB LYS 89 -8.113 -7.493 -8.413 665 2HB LYS 89 1HB LYS 89 -7.113 -8.728 -7.664 666 1HG LYS 89 2HG LYS 89 -7.389 -8.301 -10.632 667 2HG LYS 89 1HG LYS 89 -6.062 -7.708 -9.628 668 1HD LYS 89 2HD LYS 89 -5.768 -10.152 -8.907 669 2HD LYS 89 1HD LYS 89 -6.781 -10.543 -10.300 670 1HE LYS 89 2HE LYS 89 -4.230 -8.940 -10.418 671 2HE LYS 89 1HE LYS 89 -4.353 -10.660 -10.784 672 1HZ LYS 89 1HZ LYS 89 -4.505 -8.844 -12.653 673 2HZ LYS 89 2HZ LYS 89 -6.137 -8.828 -12.204 674 3HZ LYS 89 3HZ LYS 89 -5.419 -10.265 -12.733 675 H LEU 90 H LEU 90 -9.370 -9.459 -6.141 676 HA LEU 90 HA LEU 90 -7.740 -11.575 -5.279 677 1HB LEU 90 2HB LEU 90 -9.383 -9.620 -4.095 678 2HB LEU 90 1HB LEU 90 -9.914 -11.170 -3.466 679 HG LEU 90 HG LEU 90 -7.514 -11.649 -2.868 680 1HD1 LEU 90 1HD1 LEU 90 -6.211 -10.228 -4.149 681 2HD1 LEU 90 2HD1 LEU 90 -6.182 -9.450 -2.567 682 3HD1 LEU 90 3HD1 LEU 90 -7.240 -8.831 -3.835 683 1HD2 LEU 90 1HD2 LEU 90 -8.070 -10.990 -0.820 684 2HD2 LEU 90 2HD2 LEU 90 -9.467 -10.175 -1.530 685 3HD2 LEU 90 3HD2 LEU 90 -7.962 -9.288 -1.281 686 HA PRO 91 HA PRO 91 -10.386 -15.041 -6.244 687 1HB PRO 91 2HB PRO 91 -8.719 -16.967 -5.429 688 2HB PRO 91 1HB PRO 91 -8.390 -16.025 -6.889 689 1HG PRO 91 2HG PRO 91 -7.246 -15.711 -4.137 690 2HG PRO 91 1HG PRO 91 -6.416 -15.662 -5.704 691 1HD PRO 91 2HD PRO 91 -7.161 -13.428 -4.306 692 2HD PRO 91 1HD PRO 91 -6.986 -13.472 -6.072 693 H GLU 92 H GLU 92 -11.703 -14.031 -4.333 694 HA GLU 92 HA GLU 92 -11.363 -14.972 -1.704 695 1HB GLU 92 2HB GLU 92 -13.532 -13.638 -3.198 696 2HB GLU 92 1HB GLU 92 -14.021 -14.524 -1.760 697 1HG GLU 92 2HG GLU 92 -12.380 -13.253 -0.443 698 2HG GLU 92 1HG GLU 92 -11.957 -12.336 -1.889 699 H SER 93 H SER 93 -10.829 -17.198 -2.530 700 HA SER 93 HA SER 93 -13.097 -18.951 -2.008 701 1HB SER 93 2HB SER 93 -12.905 -18.923 -4.463 702 2HB SER 93 1HB SER 93 -11.195 -19.330 -4.340 703 HG SER 93 HG SER 93 -13.070 -21.031 -4.588 704 H LEU 94 H LEU 94 -9.691 -18.353 -2.263 705 HA LEU 94 HA LEU 94 -9.022 -20.709 -0.669 706 1HB LEU 94 2HB LEU 94 -7.228 -18.672 -1.996 707 2HB LEU 94 1HB LEU 94 -6.703 -20.157 -1.229 708 HG LEU 94 HG LEU 94 -8.015 -21.423 -2.957 709 1HD1 LEU 94 1HD1 LEU 94 -9.600 -19.829 -3.694 710 2HD1 LEU 94 2HD1 LEU 94 -8.509 -20.107 -5.052 711 3HD1 LEU 94 3HD1 LEU 94 -8.344 -18.650 -4.073 712 1HD2 LEU 94 1HD2 LEU 94 -5.925 -19.596 -4.123 713 2HD2 LEU 94 2HD2 LEU 94 -6.339 -21.231 -4.640 714 3HD2 LEU 94 3HD2 LEU 94 -5.558 -20.970 -3.081 715 H MET 95 H MET 95 -8.587 -17.173 -0.696 716 HA MET 95 HA MET 95 -7.730 -17.207 2.081 717 1HB MET 95 2HB MET 95 -7.900 -15.062 -0.021 718 2HB MET 95 1HB MET 95 -7.595 -14.671 1.662 719 1HG MET 95 2HG MET 95 -5.777 -16.661 1.162 720 2HG MET 95 1HG MET 95 -5.824 -15.779 -0.361 721 1HE MET 95 1HE MET 95 -4.402 -15.320 3.550 722 2HE MET 95 2HE MET 95 -6.146 -15.251 3.302 723 3HE MET 95 3HE MET 95 -5.248 -13.778 3.675 724 HA PRO 96 HA PRO 96 -11.980 -16.365 3.188 725 1HB PRO 96 2HB PRO 96 -11.772 -16.997 5.772 726 2HB PRO 96 1HB PRO 96 -11.715 -18.244 4.520 727 1HG PRO 96 2HG PRO 96 -9.480 -17.014 6.072 728 2HG PRO 96 1HG PRO 96 -9.708 -18.701 5.579 729 1HD PRO 96 2HD PRO 96 -8.099 -16.847 4.272 730 2HD PRO 96 1HD PRO 96 -8.719 -18.348 3.556 731 H LYS 97 HN LYS 97 -12.965 -14.524 3.884 732 HA LYS 97 HA LYS 97 -11.529 -12.740 5.718 733 1HB LYS 97 2HB LYS 97 -12.805 -11.786 3.143 734 2HB LYS 97 1HB LYS 97 -12.111 -10.758 4.387 735 1HG LYS 97 2HG LYS 97 -9.923 -11.966 3.962 736 2HG LYS 97 1HG LYS 97 -10.693 -12.630 2.519 737 1HD LYS 97 2HD LYS 97 -10.019 -9.770 3.154 738 2HD LYS 97 1HD LYS 97 -9.573 -10.726 1.742 739 1HE LYS 97 2HE LYS 97 -11.799 -10.636 0.882 740 2HE LYS 97 1HE LYS 97 -12.408 -9.928 2.377 741 1HZ LYS 97 1HZ LYS 97 -10.684 -8.642 0.328 742 2HZ LYS 97 2HZ LYS 97 -10.873 -7.991 1.869 743 3HZ LYS 97 3HZ LYS 97 -12.215 -8.163 0.855 Start of MODEL 9 1 1H TRP 6 1H TRP 6 1.203 -7.163 -16.661 2 2H TRP 6 2H TRP 6 1.470 -7.158 -14.992 3 3H TRP 6 3H TRP 6 2.783 -7.234 -16.053 4 HA TRP 6 HA TRP 6 1.244 -4.980 -16.697 5 1HB TRP 6 2HB TRP 6 1.996 -5.285 -13.787 6 2HB TRP 6 1HB TRP 6 1.582 -3.746 -14.538 7 HD1 TRP 6 HD1 TRP 6 -0.134 -7.244 -14.382 8 HE1 TRP 6 HE1 TRP 6 -2.640 -6.857 -13.920 9 HE3 TRP 6 HE3 TRP 6 -0.137 -2.142 -14.217 10 HZ2 TRP 6 HZ2 TRP 6 -4.386 -4.661 -13.539 11 HZ3 TRP 6 HZ3 TRP 6 -2.256 -0.971 -13.809 12 HH2 TRP 6 HH2 TRP 6 -4.338 -2.202 -13.476 13 H LYS 7 H LYS 7 3.284 -5.648 -18.036 14 HA LYS 7 HA LYS 7 5.864 -5.173 -17.112 15 1HB LYS 7 2HB LYS 7 4.860 -4.505 -19.877 16 2HB LYS 7 1HB LYS 7 6.491 -4.967 -19.408 17 1HG LYS 7 2HG LYS 7 5.673 -7.202 -18.783 18 2HG LYS 7 1HG LYS 7 4.054 -6.730 -19.304 19 1HD LYS 7 2HD LYS 7 5.628 -8.034 -20.931 20 2HD LYS 7 1HD LYS 7 4.625 -6.710 -21.536 21 1HE LYS 7 2HE LYS 7 6.524 -5.177 -21.289 22 2HE LYS 7 1HE LYS 7 7.525 -6.511 -20.717 23 1HZ LYS 7 1HZ LYS 7 6.450 -6.029 -23.419 24 2HZ LYS 7 2HZ LYS 7 6.900 -7.588 -22.941 25 3HZ LYS 7 3HZ LYS 7 8.045 -6.342 -22.950 26 H ILE 8 H ILE 8 7.079 -3.359 -16.785 27 HA ILE 8 HA ILE 8 5.655 -0.791 -17.002 28 HB ILE 8 HB ILE 8 7.965 -1.461 -15.183 29 1HG1 ILE 8 2HG1 ILE 8 5.500 -1.020 -13.797 30 2HG1 ILE 8 1HG1 ILE 8 5.246 -2.275 -15.005 31 1HG2 ILE 8 1HG2 ILE 8 6.302 0.942 -15.685 32 2HG2 ILE 8 2HG2 ILE 8 8.008 0.812 -15.258 33 3HG2 ILE 8 3HG2 ILE 8 6.771 0.606 -14.018 34 1HD1 ILE 8 1HD1 ILE 8 6.004 -2.915 -12.626 35 2HD1 ILE 8 2HD1 ILE 8 7.602 -2.409 -13.179 36 3HD1 ILE 8 3HD1 ILE 8 6.749 -3.712 -14.006 37 H THR 9 H THR 9 6.559 0.950 -18.015 38 HA THR 9 HA THR 9 8.811 0.486 -19.737 39 HB THR 9 HB THR 9 7.763 3.244 -19.196 40 HG1 THR 9 HG1 THR 9 6.216 2.500 -21.032 41 1HG2 THR 9 1HG2 THR 9 7.947 2.989 -21.864 42 2HG2 THR 9 2HG2 THR 9 9.128 1.774 -21.373 43 3HG2 THR 9 3HG2 THR 9 9.314 3.446 -20.847 44 H ASP 10 H ASP 10 10.902 0.914 -19.316 45 HA ASP 10 HA ASP 10 11.918 1.339 -16.830 46 1HB ASP 10 2HB ASP 10 13.148 0.744 -18.979 47 2HB ASP 10 1HB ASP 10 13.229 2.476 -19.298 48 H GLU 11 H GLU 11 10.987 3.832 -19.185 49 HA GLU 11 HA GLU 11 11.924 6.093 -17.837 50 1HB GLU 11 2HB GLU 11 10.270 5.562 -20.073 51 2HB GLU 11 1HB GLU 11 9.388 6.676 -19.037 52 1HG GLU 11 2HG GLU 11 11.296 8.195 -19.046 53 2HG GLU 11 1HG GLU 11 12.174 7.082 -20.098 54 H GLN 12 H GLN 12 8.734 4.542 -17.642 55 HA GLN 12 HA GLN 12 7.763 6.313 -15.671 56 1HB GLN 12 2HB GLN 12 6.837 3.838 -16.989 57 2HB GLN 12 1HB GLN 12 6.178 4.149 -15.389 58 1HG GLN 12 2HG GLN 12 5.464 6.378 -16.128 59 2HG GLN 12 1HG GLN 12 6.083 6.025 -17.739 60 1HE2 GLN 12 1HE2 GLN 12 4.470 5.669 -19.061 61 2HE2 GLN 12 2HE2 GLN 12 3.054 4.744 -18.718 62 H ARG 13 H ARG 13 9.561 3.327 -15.558 63 HA ARG 13 HA ARG 13 9.086 2.598 -12.907 64 1HB ARG 13 2HB ARG 13 10.255 1.091 -14.327 65 2HB ARG 13 1HB ARG 13 11.525 2.270 -14.642 66 1HG ARG 13 2HG ARG 13 12.433 2.036 -12.497 67 2HG ARG 13 1HG ARG 13 10.983 1.229 -11.883 68 1HD ARG 13 2HD ARG 13 11.472 -0.703 -13.312 69 2HD ARG 13 1HD ARG 13 12.926 0.107 -13.911 70 HE ARG 13 HE ARG 13 13.246 0.090 -11.213 71 1HH1 ARG 13 2HH1 ARG 13 12.570 -2.335 -13.552 72 2HH1 ARG 13 1HH1 ARG 13 13.383 -3.583 -12.678 73 1HH2 ARG 13 1HH2 ARG 13 14.297 -1.522 -10.059 74 2HH2 ARG 13 2HH2 ARG 13 14.354 -3.122 -10.696 75 H GLN 14 H GLN 14 11.604 4.782 -14.222 76 HA GLN 14 HA GLN 14 12.760 5.394 -11.728 77 1HB GLN 14 2HB GLN 14 13.779 7.285 -12.819 78 2HB GLN 14 1HB GLN 14 13.808 5.922 -13.924 79 1HG GLN 14 2HG GLN 14 12.041 6.827 -15.215 80 2HG GLN 14 1HG GLN 14 11.707 8.072 -14.013 81 1HE2 GLN 14 1HE2 GLN 14 12.929 7.665 -16.957 82 2HE2 GLN 14 2HE2 GLN 14 14.106 8.931 -16.987 83 H TYR 15 H TYR 15 9.989 6.672 -13.438 84 HA TYR 15 HA TYR 15 9.548 8.992 -11.931 85 1HB TYR 15 2HB TYR 15 8.314 8.615 -13.977 86 2HB TYR 15 1HB TYR 15 7.580 7.157 -13.314 87 HD1 TYR 15 HD1 TYR 15 8.010 10.519 -11.760 88 HD2 TYR 15 HD2 TYR 15 5.292 7.598 -13.241 89 HE1 TYR 15 HE1 TYR 15 6.128 11.847 -10.908 90 HE2 TYR 15 HE2 TYR 15 3.399 8.922 -12.390 91 HH TYR 15 HH TYR 15 3.499 12.005 -11.652 92 H TYR 16 H TYR 16 8.168 5.741 -11.525 93 HA TYR 16 HA TYR 16 6.729 6.315 -9.171 94 1HB TYR 16 2HB TYR 16 7.848 3.678 -10.136 95 2HB TYR 16 1HB TYR 16 6.615 3.871 -8.896 96 HD1 TYR 16 HD1 TYR 16 5.729 6.390 -10.963 97 HD2 TYR 16 HD2 TYR 16 5.934 2.135 -11.012 98 HE1 TYR 16 HE1 TYR 16 3.986 6.328 -12.697 99 HE2 TYR 16 HE2 TYR 16 4.193 2.067 -12.744 100 HH TYR 16 HH TYR 16 3.401 4.248 -14.664 101 H VAL 17 H VAL 17 9.952 4.900 -9.647 102 HA VAL 17 HA VAL 17 10.467 4.554 -6.868 103 HB VAL 17 HB VAL 17 12.454 4.745 -9.136 104 1HG1 VAL 17 1HG1 VAL 17 12.659 3.994 -6.258 105 2HG1 VAL 17 2HG1 VAL 17 13.763 4.938 -7.256 106 3HG1 VAL 17 3HG1 VAL 17 13.694 3.185 -7.435 107 1HG2 VAL 17 1HG2 VAL 17 12.079 2.088 -8.230 108 2HG2 VAL 17 2HG2 VAL 17 11.707 2.766 -9.815 109 3HG2 VAL 17 3HG2 VAL 17 10.484 2.773 -8.544 110 H ASN 18 H ASN 18 10.971 7.197 -9.118 111 HA ASN 18 HA ASN 18 12.876 8.737 -7.935 112 1HB ASN 18 2HB ASN 18 10.732 9.180 -9.739 113 2HB ASN 18 1HB ASN 18 10.687 10.473 -8.544 114 1HD2 ASN 18 1HD2 ASN 18 11.992 12.140 -8.848 115 2HD2 ASN 18 2HD2 ASN 18 13.345 12.174 -9.924 116 H GLN 19 H GLN 19 9.433 8.721 -7.031 117 HA GLN 19 HA GLN 19 9.904 10.431 -4.754 118 1HB GLN 19 2HB GLN 19 7.473 8.999 -5.807 119 2HB GLN 19 1HB GLN 19 7.445 9.927 -4.313 120 1HG GLN 19 2HG GLN 19 8.254 11.046 -6.987 121 2HG GLN 19 1HG GLN 19 6.632 11.170 -6.301 122 1HE2 GLN 19 1HE2 GLN 19 6.311 13.143 -5.566 123 2HE2 GLN 19 2HE2 GLN 19 7.447 14.093 -4.674 124 H PHE 20 H PHE 20 8.738 7.078 -5.134 125 HA PHE 20 HA PHE 20 8.648 6.427 -2.441 126 1HB PHE 20 2HB PHE 20 8.618 4.979 -4.937 127 2HB PHE 20 1HB PHE 20 9.349 4.061 -3.622 128 HD1 PHE 20 HD1 PHE 20 7.938 2.736 -2.419 129 HD2 PHE 20 HD2 PHE 20 6.431 6.329 -4.121 130 HE1 PHE 20 HE1 PHE 20 5.708 2.222 -1.517 131 HE2 PHE 20 HE2 PHE 20 4.198 5.823 -3.223 132 HZ PHE 20 HZ PHE 20 3.842 3.773 -1.917 133 H LYS 21 H LYS 21 11.408 6.659 -4.543 134 HA LYS 21 HA LYS 21 13.289 5.038 -3.470 135 1HB LYS 21 2HB LYS 21 13.324 7.598 -4.821 136 2HB LYS 21 1HB LYS 21 14.637 7.483 -3.658 137 1HG LYS 21 2HG LYS 21 14.574 5.039 -5.057 138 2HG LYS 21 1HG LYS 21 14.425 6.330 -6.253 139 1HD LYS 21 2HD LYS 21 16.406 7.429 -5.293 140 2HD LYS 21 1HD LYS 21 16.562 6.111 -4.130 141 1HE LYS 21 2HE LYS 21 16.962 4.532 -5.909 142 2HE LYS 21 1HE LYS 21 16.657 5.773 -7.125 143 1HZ LYS 21 1HZ LYS 21 19.008 5.461 -6.860 144 2HZ LYS 21 2HZ LYS 21 18.912 5.718 -5.188 145 3HZ LYS 21 3HZ LYS 21 18.591 6.988 -6.258 146 H THR 22 H THR 22 11.951 7.916 -1.982 147 HA THR 22 HA THR 22 13.794 8.278 0.087 148 HB THR 22 HB THR 22 10.802 8.707 0.246 149 HG1 THR 22 HG1 THR 22 11.512 10.005 -1.377 150 1HG2 THR 22 1HG2 THR 22 12.601 8.775 2.303 151 2HG2 THR 22 2HG2 THR 22 11.097 9.695 2.246 152 3HG2 THR 22 3HG2 THR 22 12.613 10.452 1.757 153 H ILE 23 H ILE 23 11.049 6.081 -0.158 154 HA ILE 23 HA ILE 23 11.742 4.939 2.456 155 HB ILE 23 HB ILE 23 9.257 4.611 0.768 156 1HG1 ILE 23 2HG1 ILE 23 9.643 5.835 3.506 157 2HG1 ILE 23 1HG1 ILE 23 9.527 6.760 2.013 158 1HG2 ILE 23 1HG2 ILE 23 10.289 3.037 3.039 159 2HG2 ILE 23 2HG2 ILE 23 9.167 2.583 1.756 160 3HG2 ILE 23 3HG2 ILE 23 8.594 3.515 3.139 161 1HD1 ILE 23 1HD1 ILE 23 7.426 6.754 3.221 162 2HD1 ILE 23 2HD1 ILE 23 7.387 4.991 3.170 163 3HD1 ILE 23 3HD1 ILE 23 7.264 5.920 1.676 164 H GLN 24 H GLN 24 11.001 3.929 -0.900 165 HA GLN 24 HA GLN 24 12.795 1.649 -0.528 166 1HB GLN 24 2HB GLN 24 10.085 1.397 -0.347 167 2HB GLN 24 1HB GLN 24 10.388 1.041 -2.039 168 1HG GLN 24 2HG GLN 24 10.366 -0.973 -0.646 169 2HG GLN 24 1HG GLN 24 11.926 -0.718 -1.431 170 1HE2 GLN 24 1HE2 GLN 24 10.270 -1.059 1.532 171 2HE2 GLN 24 2HE2 GLN 24 11.632 -0.850 2.577 172 HA PRO 25 HA PRO 25 13.657 3.728 -4.587 173 1HB PRO 25 2HB PRO 25 16.273 2.876 -4.630 174 2HB PRO 25 1HB PRO 25 15.739 4.400 -3.917 175 1HG PRO 25 2HG PRO 25 16.349 1.793 -2.587 176 2HG PRO 25 1HG PRO 25 16.737 3.441 -2.059 177 1HD PRO 25 2HD PRO 25 14.689 2.055 -0.995 178 2HD PRO 25 1HD PRO 25 14.609 3.813 -1.233 179 H ASP 26 H ASP 26 15.543 0.819 -3.881 180 HA ASP 26 HA ASP 26 14.039 -0.881 -5.637 181 1HB ASP 26 2HB ASP 26 15.579 0.667 -7.028 182 2HB ASP 26 1HB ASP 26 16.892 -0.316 -6.401 183 H LEU 27 H LEU 27 14.927 -0.803 -2.873 184 HA LEU 27 HA LEU 27 17.050 -2.775 -2.652 185 1HB LEU 27 2HB LEU 27 15.424 -1.452 -0.484 186 2HB LEU 27 1HB LEU 27 16.889 -2.392 -0.261 187 HG LEU 27 HG LEU 27 16.741 0.221 -1.773 188 1HD1 LEU 27 1HD1 LEU 27 17.295 -0.441 1.074 189 2HD1 LEU 27 2HD1 LEU 27 16.466 0.949 0.375 190 3HD1 LEU 27 3HD1 LEU 27 18.225 0.847 0.310 191 1HD2 LEU 27 1HD2 LEU 27 18.686 -1.843 -1.738 192 2HD2 LEU 27 2HD2 LEU 27 19.345 -0.464 -0.856 193 3HD2 LEU 27 3HD2 LEU 27 18.777 -0.261 -2.513 194 H ASN 28 H ASN 28 15.498 -3.501 -0.016 195 HA ASN 28 HA ASN 28 13.588 -5.418 -1.131 196 1HB ASN 28 2HB ASN 28 15.927 -6.437 -0.910 197 2HB ASN 28 1HB ASN 28 15.715 -6.290 0.829 198 1HD2 ASN 28 1HD2 ASN 28 15.582 -8.392 -1.585 199 2HD2 ASN 28 2HD2 ASN 28 14.388 -9.487 -0.989 200 H GLY 29 H GLY 29 13.167 -3.031 0.299 201 1HA GLY 29 2HA GLY 29 12.462 -3.882 3.016 202 2HA GLY 29 1HA GLY 29 12.530 -2.223 2.442 203 H PHE 30 H PHE 30 10.406 -3.737 3.846 204 HA PHE 30 HA PHE 30 8.246 -3.652 1.852 205 1HB PHE 30 2HB PHE 30 8.268 -4.821 4.643 206 2HB PHE 30 1HB PHE 30 6.952 -4.942 3.478 207 HD1 PHE 30 HD1 PHE 30 8.138 -7.315 4.744 208 HD2 PHE 30 HD2 PHE 30 9.259 -5.226 1.211 209 HE1 PHE 30 HE1 PHE 30 9.138 -9.376 3.847 210 HE2 PHE 30 HE2 PHE 30 10.262 -7.283 0.307 211 HZ PHE 30 HZ PHE 30 10.199 -9.362 1.625 212 H ILE 31 H ILE 31 6.558 -2.285 2.034 213 HA ILE 31 HA ILE 31 6.741 -0.195 4.077 214 HB ILE 31 HB ILE 31 5.606 -0.277 1.313 215 1HG1 ILE 31 2HG1 ILE 31 7.212 1.875 2.686 216 2HG1 ILE 31 1HG1 ILE 31 7.973 0.488 1.904 217 1HG2 ILE 31 1HG2 ILE 31 3.770 0.603 2.538 218 2HG2 ILE 31 2HG2 ILE 31 4.591 1.968 1.782 219 3HG2 ILE 31 3HG2 ILE 31 4.826 1.640 3.498 220 1HD1 ILE 31 1HD1 ILE 31 7.562 1.269 -0.169 221 2HD1 ILE 31 2HD1 ILE 31 7.527 2.817 0.676 222 3HD1 ILE 31 3HD1 ILE 31 6.018 1.989 0.289 223 HA PRO 32 HA PRO 32 3.068 -1.914 5.932 224 1HB PRO 32 2HB PRO 32 2.686 0.043 7.767 225 2HB PRO 32 1HB PRO 32 3.930 -1.201 7.948 226 1HG PRO 32 2HG PRO 32 4.192 1.623 7.003 227 2HG PRO 32 1HG PRO 32 5.257 0.697 8.076 228 1HD PRO 32 2HD PRO 32 5.789 1.106 5.435 229 2HD PRO 32 1HD PRO 32 6.334 -0.330 6.323 230 H GLY 33 H GLY 33 0.848 -1.525 5.817 231 1HA GLY 33 2HA GLY 33 -0.196 -0.033 3.773 232 2HA GLY 33 1HA GLY 33 -1.115 -0.462 5.207 233 H SER 34 H SER 34 0.714 1.092 6.939 234 HA SER 34 HA SER 34 -0.674 3.522 7.039 235 1HB SER 34 2HB SER 34 1.172 4.243 8.563 236 2HB SER 34 1HB SER 34 0.501 2.664 8.980 237 HG SER 34 HG SER 34 2.842 2.767 8.945 238 H ALA 35 H ALA 35 2.737 2.997 6.089 239 HA ALA 35 HA ALA 35 3.183 5.571 5.108 240 1HB ALA 35 1HB ALA 35 4.570 3.069 5.113 241 2HB ALA 35 2HB ALA 35 5.219 4.701 4.942 242 3HB ALA 35 3HB ALA 35 4.694 3.808 3.515 243 H ALA 36 H ALA 36 2.019 2.647 3.456 244 HA ALA 36 HA ALA 36 1.906 3.649 0.858 245 1HB ALA 36 1HB ALA 36 -0.126 2.023 0.688 246 2HB ALA 36 2HB ALA 36 0.352 1.555 2.321 247 3HB ALA 36 3HB ALA 36 1.488 1.378 0.984 248 H LYS 37 H LYS 37 -0.724 3.575 3.281 249 HA LYS 37 HA LYS 37 -2.583 5.021 1.812 250 1HB LYS 37 2HB LYS 37 -2.316 3.990 4.433 251 2HB LYS 37 1HB LYS 37 -2.792 5.674 4.591 252 1HG LYS 37 2HG LYS 37 -4.778 5.329 3.368 253 2HG LYS 37 1HG LYS 37 -4.241 3.741 2.807 254 1HD LYS 37 2HD LYS 37 -4.378 4.151 5.731 255 2HD LYS 37 1HD LYS 37 -5.919 4.072 4.871 256 1HE LYS 37 2HE LYS 37 -3.745 2.004 4.591 257 2HE LYS 37 1HE LYS 37 -5.049 1.881 5.771 258 1HZ LYS 37 1HZ LYS 37 -6.408 1.122 4.213 259 2HZ LYS 37 2HZ LYS 37 -5.101 1.047 3.140 260 3HZ LYS 37 3HZ LYS 37 -6.082 2.425 3.185 261 H GLU 38 H GLU 38 -0.227 6.222 4.228 262 HA GLU 38 HA GLU 38 -0.867 8.931 3.995 263 1HB GLU 38 2HB GLU 38 1.177 7.403 5.220 264 2HB GLU 38 1HB GLU 38 1.958 8.678 4.292 265 1HG GLU 38 2HG GLU 38 0.067 10.140 5.448 266 2HG GLU 38 1HG GLU 38 0.211 8.870 6.666 267 H PHE 39 H PHE 39 1.442 6.985 2.154 268 HA PHE 39 HA PHE 39 2.476 9.076 0.580 269 1HB PHE 39 2HB PHE 39 2.890 6.332 0.866 270 2HB PHE 39 1HB PHE 39 2.363 6.528 -0.797 271 HD1 PHE 39 HD1 PHE 39 4.941 7.400 1.659 272 HD2 PHE 39 HD2 PHE 39 3.751 7.630 -2.420 273 HE1 PHE 39 HE1 PHE 39 7.215 8.107 1.041 274 HE2 PHE 39 HE2 PHE 39 6.025 8.335 -3.046 275 HZ PHE 39 HZ PHE 39 7.760 8.573 -1.316 276 H PHE 40 H PHE 40 0.048 6.591 -0.226 277 HA PHE 40 HA PHE 40 -0.643 7.591 -2.723 278 1HB PHE 40 2HB PHE 40 -2.198 5.978 -0.707 279 2HB PHE 40 1HB PHE 40 -2.873 6.416 -2.270 280 HD1 PHE 40 HD1 PHE 40 -0.690 4.179 -0.496 281 HD2 PHE 40 HD2 PHE 40 -1.731 5.618 -4.358 282 HE1 PHE 40 HE1 PHE 40 0.433 2.244 -1.508 283 HE2 PHE 40 HE2 PHE 40 -0.614 3.679 -5.380 284 HZ PHE 40 HZ PHE 40 0.467 1.987 -3.956 285 H THR 41 H THR 41 -2.137 8.249 0.446 286 HA THR 41 HA THR 41 -4.149 9.968 -0.321 287 HB THR 41 HB THR 41 -2.338 10.299 2.084 288 HG1 THR 41 HG1 THR 41 -4.900 9.192 2.284 289 1HG2 THR 41 1HG2 THR 41 -4.422 11.400 3.041 290 2HG2 THR 41 2HG2 THR 41 -5.015 11.489 1.381 291 3HG2 THR 41 3HG2 THR 41 -3.529 12.324 1.836 292 H LYS 42 H LYS 42 -0.708 10.666 0.142 293 HA LYS 42 HA LYS 42 -0.859 13.442 -0.283 294 1HB LYS 42 2HB LYS 42 1.404 11.480 -0.625 295 2HB LYS 42 1HB LYS 42 1.605 13.215 -0.839 296 1HG LYS 42 2HG LYS 42 0.933 13.613 1.453 297 2HG LYS 42 1HG LYS 42 0.614 11.895 1.684 298 1HD LYS 42 2HD LYS 42 2.991 11.415 1.300 299 2HD LYS 42 1HD LYS 42 3.300 13.139 1.087 300 1HE LYS 42 2HE LYS 42 3.910 12.494 3.331 301 2HE LYS 42 1HE LYS 42 2.485 13.532 3.391 302 1HZ LYS 42 1HZ LYS 42 1.501 10.970 3.226 303 2HZ LYS 42 2HZ LYS 42 1.551 11.946 4.612 304 3HZ LYS 42 3HZ LYS 42 2.801 10.856 4.312 305 H SER 43 H SER 43 -0.689 10.748 -2.527 306 HA SER 43 HA SER 43 0.080 12.088 -4.851 307 1HB SER 43 2HB SER 43 -1.923 9.831 -4.554 308 2HB SER 43 1HB SER 43 -1.186 10.333 -6.076 309 HG SER 43 HG SER 43 0.551 9.265 -5.556 310 H LYS 44 H LYS 44 -3.242 11.465 -3.733 311 HA LYS 44 HA LYS 44 -4.428 13.836 -3.902 312 1HB LYS 44 2HB LYS 44 -3.876 14.482 -6.034 313 2HB LYS 44 1HB LYS 44 -3.905 12.835 -6.657 314 1HG LYS 44 2HG LYS 44 -6.123 12.889 -7.091 315 2HG LYS 44 1HG LYS 44 -6.479 13.952 -5.725 316 1HD LYS 44 2HD LYS 44 -5.015 14.870 -8.176 317 2HD LYS 44 1HD LYS 44 -6.775 14.942 -8.031 318 1HE LYS 44 2HE LYS 44 -6.597 16.385 -6.103 319 2HE LYS 44 1HE LYS 44 -4.842 16.219 -6.099 320 1HZ LYS 44 1HZ LYS 44 -4.671 17.457 -8.077 321 2HZ LYS 44 2HZ LYS 44 -5.744 18.319 -7.095 322 3HZ LYS 44 3HZ LYS 44 -6.335 17.387 -8.377 323 H LEU 45 H LEU 45 -4.931 10.734 -5.580 324 HA LEU 45 HA LEU 45 -7.658 10.585 -5.396 325 1HB LEU 45 2HB LEU 45 -5.656 8.348 -5.133 326 2HB LEU 45 1HB LEU 45 -7.378 8.103 -5.357 327 HG LEU 45 HG LEU 45 -6.726 9.791 -7.437 328 1HD1 LEU 45 1HD1 LEU 45 -4.532 7.744 -7.199 329 2HD1 LEU 45 2HD1 LEU 45 -4.332 9.471 -6.897 330 3HD1 LEU 45 3HD1 LEU 45 -4.773 8.900 -8.508 331 1HD2 LEU 45 1HD2 LEU 45 -8.225 7.896 -7.569 332 2HD2 LEU 45 2HD2 LEU 45 -6.870 6.779 -7.400 333 3HD2 LEU 45 3HD2 LEU 45 -7.005 7.792 -8.838 334 HA PRO 46 HA PRO 46 -8.656 10.470 -1.119 335 1HB PRO 46 2HB PRO 46 -11.058 9.175 -1.305 336 2HB PRO 46 1HB PRO 46 -10.831 10.885 -1.691 337 1HG PRO 46 2HG PRO 46 -10.925 8.523 -3.534 338 2HG PRO 46 1HG PRO 46 -11.692 10.114 -3.713 339 1HD PRO 46 2HD PRO 46 -9.427 9.497 -5.012 340 2HD PRO 46 1HD PRO 46 -9.715 11.130 -4.377 341 H ILE 47 H ILE 47 -8.326 9.124 0.572 342 HA ILE 47 HA ILE 47 -7.041 6.717 0.370 343 HB ILE 47 HB ILE 47 -7.223 8.006 2.461 344 1HG1 ILE 47 2HG1 ILE 47 -8.176 5.142 2.686 345 2HG1 ILE 47 1HG1 ILE 47 -6.499 5.657 2.518 346 1HG2 ILE 47 1HG2 ILE 47 -9.851 6.766 3.078 347 2HG2 ILE 47 2HG2 ILE 47 -9.830 8.184 2.029 348 3HG2 ILE 47 3HG2 ILE 47 -9.149 8.279 3.654 349 1HD1 ILE 47 1HD1 ILE 47 -7.374 5.036 4.840 350 2HD1 ILE 47 2HD1 ILE 47 -8.179 6.604 4.800 351 3HD1 ILE 47 3HD1 ILE 47 -6.423 6.512 4.670 352 H LEU 48 H LEU 48 -10.402 7.316 -0.038 353 HA LEU 48 HA LEU 48 -11.671 4.972 0.612 354 1HB LEU 48 2HB LEU 48 -12.576 7.146 -0.427 355 2HB LEU 48 1HB LEU 48 -12.184 6.421 -1.974 356 HG LEU 48 HG LEU 48 -14.038 5.118 0.016 357 1HD1 LEU 48 1HD1 LEU 48 -14.462 7.428 -1.621 358 2HD1 LEU 48 2HD1 LEU 48 -15.578 6.621 -0.519 359 3HD1 LEU 48 3HD1 LEU 48 -15.461 6.094 -2.198 360 1HD2 LEU 48 1HD2 LEU 48 -14.751 3.820 -1.920 361 2HD2 LEU 48 2HD2 LEU 48 -13.015 3.638 -1.665 362 3HD2 LEU 48 3HD2 LEU 48 -13.612 4.695 -2.944 363 H GLU 49 H GLU 49 -10.705 5.661 -2.747 364 HA GLU 49 HA GLU 49 -10.840 3.022 -3.655 365 1HB GLU 49 2HB GLU 49 -9.208 5.373 -4.607 366 2HB GLU 49 1HB GLU 49 -9.243 3.843 -5.461 367 1HG GLU 49 2HG GLU 49 -10.756 5.724 -6.278 368 2HG GLU 49 1HG GLU 49 -11.456 4.116 -6.116 369 H LEU 50 H LEU 50 -8.222 4.798 -2.127 370 HA LEU 50 HA LEU 50 -5.983 3.318 -2.547 371 1HB LEU 50 2HB LEU 50 -7.018 4.868 -0.253 372 2HB LEU 50 1HB LEU 50 -5.674 3.799 0.092 373 HG LEU 50 HG LEU 50 -4.342 4.934 -1.644 374 1HD1 LEU 50 1HD1 LEU 50 -5.654 5.845 -3.255 375 2HD1 LEU 50 2HD1 LEU 50 -5.478 7.275 -2.239 376 3HD1 LEU 50 3HD1 LEU 50 -6.931 6.284 -2.121 377 1HD2 LEU 50 1HD2 LEU 50 -5.420 6.244 0.757 378 2HD2 LEU 50 2HD2 LEU 50 -4.639 7.322 -0.399 379 3HD2 LEU 50 3HD2 LEU 50 -3.749 5.956 0.273 380 H SER 51 H SER 51 -8.478 2.542 -0.115 381 HA SER 51 HA SER 51 -7.206 0.312 0.999 382 1HB SER 51 2HB SER 51 -9.330 1.444 1.828 383 2HB SER 51 1HB SER 51 -10.197 0.502 0.614 384 HG SER 51 HG SER 51 -10.078 -1.160 1.887 385 H HIS 52 H HIS 52 -9.473 0.465 -1.727 386 HA HIS 52 HA HIS 52 -9.649 -2.238 -2.353 387 1HB HIS 52 2HB HIS 52 -11.029 -0.560 -3.445 388 2HB HIS 52 1HB HIS 52 -9.609 0.188 -4.167 389 HD1 HIS 52 HD1 HIS 52 -11.379 -3.194 -4.305 390 HD2 HIS 52 HD2 HIS 52 -9.139 -0.613 -6.665 391 HE1 HIS 52 HE1 HIS 52 -11.307 -4.225 -6.614 392 H ILE 53 H ILE 53 -7.370 0.187 -3.563 393 HA ILE 53 HA ILE 53 -5.819 -1.380 -5.239 394 HB ILE 53 HB ILE 53 -4.914 0.889 -3.460 395 1HG1 ILE 53 2HG1 ILE 53 -6.722 1.514 -4.999 396 2HG1 ILE 53 1HG1 ILE 53 -5.206 2.281 -5.459 397 1HG2 ILE 53 1HG2 ILE 53 -3.329 0.858 -5.730 398 2HG2 ILE 53 2HG2 ILE 53 -3.453 -0.839 -5.268 399 3HG2 ILE 53 3HG2 ILE 53 -2.856 0.350 -4.110 400 1HD1 ILE 53 1HD1 ILE 53 -6.916 0.586 -6.997 401 2HD1 ILE 53 2HD1 ILE 53 -5.314 -0.140 -6.871 402 3HD1 ILE 53 3HD1 ILE 53 -5.493 1.496 -7.504 403 H TRP 54 H TRP 54 -5.404 -0.837 -1.729 404 HA TRP 54 HA TRP 54 -3.014 -2.181 -1.403 405 1HB TRP 54 2HB TRP 54 -4.138 -1.007 0.440 406 2HB TRP 54 1HB TRP 54 -5.364 -2.275 0.493 407 HD1 TRP 54 HD1 TRP 54 -4.698 -4.596 1.582 408 HE1 TRP 54 HE1 TRP 54 -2.691 -5.344 3.013 409 HE3 TRP 54 HE3 TRP 54 -1.603 -0.606 0.787 410 HZ2 TRP 54 HZ2 TRP 54 -0.135 -4.360 3.722 411 HZ3 TRP 54 HZ3 TRP 54 0.599 -0.582 1.875 412 HH2 TRP 54 HH2 TRP 54 1.319 -2.418 3.314 413 H GLU 55 H GLU 55 -6.271 -3.609 -1.144 414 HA GLU 55 HA GLU 55 -5.523 -6.236 -0.721 415 1HB GLU 55 2HB GLU 55 -7.864 -5.308 -2.389 416 2HB GLU 55 1HB GLU 55 -7.717 -6.845 -1.544 417 1HG GLU 55 2HG GLU 55 -7.747 -5.727 0.587 418 2HG GLU 55 1HG GLU 55 -7.759 -4.153 -0.207 419 H LEU 56 H LEU 56 -6.250 -4.714 -3.867 420 HA LEU 56 HA LEU 56 -5.516 -6.930 -5.443 421 1HB LEU 56 2HB LEU 56 -5.722 -3.982 -6.003 422 2HB LEU 56 1HB LEU 56 -5.156 -5.088 -7.236 423 HG LEU 56 HG LEU 56 -7.555 -4.553 -7.461 424 1HD1 LEU 56 1HD1 LEU 56 -6.448 -6.823 -8.038 425 2HD1 LEU 56 2HD1 LEU 56 -8.206 -6.691 -8.045 426 3HD1 LEU 56 3HD1 LEU 56 -7.382 -7.431 -6.671 427 1HD2 LEU 56 1HD2 LEU 56 -9.153 -5.091 -5.862 428 2HD2 LEU 56 2HD2 LEU 56 -7.833 -4.417 -4.906 429 3HD2 LEU 56 3HD2 LEU 56 -8.059 -6.164 -4.987 430 H SER 57 H SER 57 -3.685 -4.458 -3.880 431 HA SER 57 HA SER 57 -1.242 -5.017 -5.333 432 1HB SER 57 2HB SER 57 -1.830 -3.224 -2.972 433 2HB SER 57 1HB SER 57 -0.284 -3.307 -3.808 434 HG SER 57 HG SER 57 -2.776 -2.408 -4.802 435 H ASP 58 H ASP 58 -2.772 -5.987 -2.390 436 HA ASP 58 HA ASP 58 -0.302 -7.135 -1.314 437 1HB ASP 58 2HB ASP 58 -2.059 -5.691 -0.026 438 2HB ASP 58 1HB ASP 58 -2.971 -7.195 0.057 439 H PHE 59 H PHE 59 -0.899 -8.541 -3.489 440 HA PHE 59 HA PHE 59 -2.760 -10.637 -3.230 441 1HB PHE 59 2HB PHE 59 -0.418 -10.100 -4.972 442 2HB PHE 59 1HB PHE 59 -1.030 -11.749 -4.914 443 HD1 PHE 59 HD1 PHE 59 -3.201 -8.824 -4.511 444 HD2 PHE 59 HD2 PHE 59 -1.732 -11.786 -7.183 445 HE1 PHE 59 HE1 PHE 59 -4.949 -8.221 -6.133 446 HE2 PHE 59 HE2 PHE 59 -3.474 -11.190 -8.812 447 HZ PHE 59 HZ PHE 59 -5.086 -9.403 -8.289 448 H ASP 60 H ASP 60 -0.143 -10.199 -1.293 449 HA ASP 60 HA ASP 60 0.497 -13.060 -1.082 450 1HB ASP 60 2HB ASP 60 2.322 -12.232 0.451 451 2HB ASP 60 1HB ASP 60 2.437 -11.640 -1.206 452 H LYS 61 H LYS 61 -0.883 -10.378 0.704 453 HA LYS 61 HA LYS 61 -2.258 -10.362 2.533 454 1HB LYS 61 2HB LYS 61 -2.206 -13.263 1.920 455 2HB LYS 61 1HB LYS 61 -2.657 -12.816 3.559 456 1HG LYS 61 2HG LYS 61 -3.984 -11.804 1.052 457 2HG LYS 61 1HG LYS 61 -4.612 -13.063 2.122 458 1HD LYS 61 2HD LYS 61 -4.781 -11.509 3.948 459 2HD LYS 61 1HD LYS 61 -3.981 -10.251 3.006 460 1HE LYS 61 2HE LYS 61 -5.881 -10.327 1.405 461 2HE LYS 61 1HE LYS 61 -6.696 -11.458 2.487 462 1HZ LYS 61 1HZ LYS 61 -6.970 -8.794 2.599 463 2HZ LYS 61 2HZ LYS 61 -5.749 -9.030 3.743 464 3HZ LYS 61 3HZ LYS 61 -7.229 -9.830 3.918 465 H ASP 62 H ASP 62 0.429 -9.888 2.804 466 HA ASP 62 HA ASP 62 1.278 -11.334 5.217 467 1HB ASP 62 2HB ASP 62 3.435 -10.391 4.845 468 2HB ASP 62 1HB ASP 62 2.849 -10.913 3.265 469 H GLY 63 H GLY 63 0.141 -8.273 4.067 470 1HA GLY 63 2HA GLY 63 -0.912 -6.662 5.461 471 2HA GLY 63 1HA GLY 63 0.035 -7.254 6.822 472 H ALA 64 H ALA 64 1.880 -7.018 4.039 473 HA ALA 64 HA ALA 64 2.713 -4.249 4.507 474 1HB ALA 64 1HB ALA 64 4.995 -6.014 4.104 475 2HB ALA 64 2HB ALA 64 4.135 -6.333 5.612 476 3HB ALA 64 3HB ALA 64 4.756 -4.717 5.275 477 H LEU 65 H LEU 65 3.802 -3.300 2.732 478 HA LEU 65 HA LEU 65 3.269 -4.665 0.211 479 1HB LEU 65 2HB LEU 65 3.061 -1.967 1.121 480 2HB LEU 65 1HB LEU 65 4.138 -2.030 -0.260 481 HG LEU 65 HG LEU 65 2.454 -3.039 -1.630 482 1HD1 LEU 65 1HD1 LEU 65 0.962 -4.390 -0.704 483 2HD1 LEU 65 2HD1 LEU 65 0.104 -2.960 -0.130 484 3HD1 LEU 65 3HD1 LEU 65 1.296 -3.747 0.904 485 1HD2 LEU 65 1HD2 LEU 65 1.612 -0.630 -0.067 486 2HD2 LEU 65 2HD2 LEU 65 0.595 -1.281 -1.354 487 3HD2 LEU 65 3HD2 LEU 65 2.230 -0.731 -1.716 488 H THR 66 H THR 66 4.845 -5.514 -0.967 489 HA THR 66 HA THR 66 7.619 -4.935 -0.227 490 HB THR 66 HB THR 66 8.287 -6.848 -1.389 491 HG1 THR 66 HG1 THR 66 6.108 -7.694 -2.693 492 1HG2 THR 66 1HG2 THR 66 5.487 -7.550 -0.501 493 2HG2 THR 66 2HG2 THR 66 6.845 -7.327 0.601 494 3HG2 THR 66 3HG2 THR 66 6.879 -8.631 -0.587 495 H LEU 67 H LEU 67 9.198 -4.255 -1.780 496 HA LEU 67 HA LEU 67 8.583 -2.108 -3.309 497 1HB LEU 67 2HB LEU 67 10.842 -3.689 -2.919 498 2HB LEU 67 1HB LEU 67 10.606 -3.697 -4.657 499 HG LEU 67 HG LEU 67 10.792 -1.187 -2.985 500 1HD1 LEU 67 1HD1 LEU 67 13.023 -1.001 -4.231 501 2HD1 LEU 67 2HD1 LEU 67 12.865 -2.737 -4.502 502 3HD1 LEU 67 3HD1 LEU 67 12.938 -2.105 -2.858 503 1HD2 LEU 67 1HD2 LEU 67 9.596 -1.390 -5.350 504 2HD2 LEU 67 2HD2 LEU 67 11.263 -1.260 -5.911 505 3HD2 LEU 67 3HD2 LEU 67 10.570 0.011 -4.906 506 H ASP 68 H ASP 68 8.400 -5.505 -4.339 507 HA ASP 68 HA ASP 68 7.752 -5.026 -7.041 508 1HB ASP 68 2HB ASP 68 7.994 -7.271 -5.331 509 2HB ASP 68 1HB ASP 68 6.393 -7.349 -6.045 510 H GLU 69 H GLU 69 5.715 -5.609 -4.185 511 HA GLU 69 HA GLU 69 3.222 -5.236 -5.410 512 1HB GLU 69 2HB GLU 69 4.152 -4.731 -2.573 513 2HB GLU 69 1HB GLU 69 2.472 -4.552 -3.068 514 1HG GLU 69 2HG GLU 69 2.446 -6.906 -3.766 515 2HG GLU 69 1HG GLU 69 4.110 -7.075 -3.220 516 H PHE 70 H PHE 70 5.595 -2.998 -4.145 517 HA PHE 70 HA PHE 70 4.086 -0.618 -4.303 518 1HB PHE 70 2HB PHE 70 6.061 -0.413 -3.071 519 2HB PHE 70 1HB PHE 70 7.010 -1.286 -4.264 520 HD1 PHE 70 HD1 PHE 70 4.759 1.385 -5.304 521 HD2 PHE 70 HD2 PHE 70 8.759 0.395 -4.215 522 HE1 PHE 70 HE1 PHE 70 5.542 3.504 -6.276 523 HE2 PHE 70 HE2 PHE 70 9.542 2.507 -5.195 524 HZ PHE 70 HZ PHE 70 7.937 4.071 -6.214 525 H CYS 71 H CYS 71 6.440 -2.025 -6.543 526 HA CYS 71 HA CYS 71 6.209 -0.196 -8.618 527 1HB CYS 71 2HB CYS 71 6.999 -3.072 -8.425 528 2HB CYS 71 1HB CYS 71 6.834 -2.327 -10.003 529 HG CYS 71 HG CYS 71 8.587 -0.144 -8.677 530 H ALA 72 H ALA 72 4.476 -3.258 -8.152 531 HA ALA 72 HA ALA 72 2.839 -3.010 -10.456 532 1HB ALA 72 1HB ALA 72 1.620 -4.487 -8.260 533 2HB ALA 72 2HB ALA 72 3.290 -4.963 -8.573 534 3HB ALA 72 3HB ALA 72 2.094 -5.035 -9.868 535 H ALA 73 H ALA 73 2.156 -2.351 -7.015 536 HA ALA 73 HA ALA 73 -0.453 -1.503 -7.197 537 1HB ALA 73 1HB ALA 73 1.691 -0.344 -5.413 538 2HB ALA 73 2HB ALA 73 0.731 -1.784 -5.071 539 3HB ALA 73 3HB ALA 73 -0.051 -0.206 -5.167 540 H PHE 74 H PHE 74 2.448 0.592 -7.376 541 HA PHE 74 HA PHE 74 1.149 2.975 -7.892 542 1HB PHE 74 2HB PHE 74 3.810 2.063 -7.956 543 2HB PHE 74 1HB PHE 74 3.518 2.797 -9.531 544 HD1 PHE 74 HD1 PHE 74 3.127 3.446 -5.891 545 HD2 PHE 74 HD2 PHE 74 3.653 5.087 -9.780 546 HE1 PHE 74 HE1 PHE 74 3.416 5.681 -4.904 547 HE2 PHE 74 HE2 PHE 74 3.947 7.324 -8.802 548 HZ PHE 74 HZ PHE 74 3.830 7.624 -6.361 549 H HIS 75 H HIS 75 2.212 0.506 -10.241 550 HA HIS 75 HA HIS 75 1.391 1.849 -12.548 551 1HB HIS 75 2HB HIS 75 2.510 -0.606 -11.974 552 2HB HIS 75 1HB HIS 75 0.940 -1.031 -12.633 553 HD1 HIS 75 HD1 HIS 75 0.964 1.522 -14.649 554 HD2 HIS 75 HD2 HIS 75 3.829 -1.456 -14.272 555 HE1 HIS 75 HE1 HIS 75 2.222 1.470 -16.840 556 H LEU 76 H LEU 76 -0.337 -0.645 -10.681 557 HA LEU 76 HA LEU 76 -2.696 -0.654 -12.107 558 1HB LEU 76 2HB LEU 76 -1.967 -2.141 -10.167 559 2HB LEU 76 1HB LEU 76 -2.590 -0.885 -9.109 560 HG LEU 76 HG LEU 76 -4.194 -2.383 -11.166 561 1HD1 LEU 76 1HD1 LEU 76 -5.335 -3.146 -8.936 562 2HD1 LEU 76 2HD1 LEU 76 -3.752 -2.785 -8.248 563 3HD1 LEU 76 3HD1 LEU 76 -3.902 -3.975 -9.542 564 1HD2 LEU 76 1HD2 LEU 76 -5.000 -0.350 -9.093 565 2HD2 LEU 76 2HD2 LEU 76 -6.127 -1.323 -10.039 566 3HD2 LEU 76 3HD2 LEU 76 -5.070 -0.165 -10.846 567 H VAL 77 H VAL 77 -1.841 1.397 -9.335 568 HA VAL 77 HA VAL 77 -4.251 2.825 -9.217 569 HB VAL 77 HB VAL 77 -1.483 3.776 -8.476 570 1HG1 VAL 77 1HG1 VAL 77 -4.191 4.935 -8.143 571 2HG1 VAL 77 2HG1 VAL 77 -2.634 5.733 -8.372 572 3HG1 VAL 77 3HG1 VAL 77 -3.069 5.086 -6.790 573 1HG2 VAL 77 1HG2 VAL 77 -3.610 2.484 -6.768 574 2HG2 VAL 77 2HG2 VAL 77 -2.026 3.036 -6.230 575 3HG2 VAL 77 3HG2 VAL 77 -2.152 1.687 -7.356 576 H VAL 78 H VAL 78 -1.196 3.675 -10.837 577 HA VAL 78 HA VAL 78 -1.786 6.121 -11.890 578 HB VAL 78 HB VAL 78 -0.353 3.835 -13.237 579 1HG1 VAL 78 1HG1 VAL 78 0.711 6.095 -14.319 580 2HG1 VAL 78 2HG1 VAL 78 -0.993 6.533 -14.192 581 3HG1 VAL 78 3HG1 VAL 78 -0.516 5.093 -15.091 582 1HG2 VAL 78 1HG2 VAL 78 0.402 5.018 -10.998 583 2HG2 VAL 78 2HG2 VAL 78 1.015 6.227 -12.128 584 3HG2 VAL 78 3HG2 VAL 78 1.567 4.555 -12.238 585 H ALA 79 H ALA 79 -2.586 3.001 -13.405 586 HA ALA 79 HA ALA 79 -3.795 3.837 -15.714 587 1HB ALA 79 1HB ALA 79 -3.476 1.499 -15.192 588 2HB ALA 79 2HB ALA 79 -5.167 1.794 -15.592 589 3HB ALA 79 3HB ALA 79 -4.682 1.592 -13.907 590 H ARG 80 H ARG 80 -5.142 3.918 -12.461 591 HA ARG 80 HA ARG 80 -7.803 4.324 -13.024 592 1HB ARG 80 2HB ARG 80 -6.866 4.072 -10.742 593 2HB ARG 80 1HB ARG 80 -6.244 5.712 -10.838 594 1HG ARG 80 2HG ARG 80 -8.204 5.948 -9.625 595 2HG ARG 80 1HG ARG 80 -8.690 6.393 -11.262 596 1HD ARG 80 2HD ARG 80 -9.204 3.798 -9.815 597 2HD ARG 80 1HD ARG 80 -10.386 4.978 -10.373 598 HE ARG 80 HE ARG 80 -8.906 3.958 -12.545 599 1HH1 ARG 80 2HH1 ARG 80 -11.400 3.106 -10.334 600 2HH1 ARG 80 1HH1 ARG 80 -12.138 1.988 -11.423 601 1HH2 ARG 80 1HH2 ARG 80 -9.825 2.529 -13.957 602 2HH2 ARG 80 2HH2 ARG 80 -11.223 1.644 -13.472 603 H LYS 81 H LYS 81 -5.159 6.603 -13.264 604 HA LYS 81 HA LYS 81 -6.600 8.984 -13.474 605 1HB LYS 81 2HB LYS 81 -4.171 8.928 -13.260 606 2HB LYS 81 1HB LYS 81 -4.031 8.192 -14.852 607 1HG LYS 81 2HG LYS 81 -5.115 10.258 -15.785 608 2HG LYS 81 1HG LYS 81 -4.937 10.979 -14.182 609 1HD LYS 81 2HD LYS 81 -2.731 9.975 -15.981 610 2HD LYS 81 1HD LYS 81 -3.077 11.654 -15.560 611 1HE LYS 81 2HE LYS 81 -2.219 9.491 -13.643 612 2HE LYS 81 1HE LYS 81 -1.187 10.769 -14.281 613 1HZ LYS 81 1HZ LYS 81 -3.519 11.069 -12.478 614 2HZ LYS 81 2HZ LYS 81 -2.767 12.373 -13.245 615 3HZ LYS 81 3HZ LYS 81 -1.899 11.430 -12.142 616 H ASN 82 H ASN 82 -5.516 6.807 -16.071 617 HA ASN 82 HA ASN 82 -6.875 8.299 -18.098 618 1HB ASN 82 2HB ASN 82 -5.741 5.497 -18.174 619 2HB ASN 82 1HB ASN 82 -6.289 6.409 -19.579 620 1HD2 ASN 82 1HD2 ASN 82 -4.804 7.562 -20.617 621 2HD2 ASN 82 2HD2 ASN 82 -3.275 8.043 -19.971 622 H GLY 83 H GLY 83 -7.629 5.384 -16.234 623 1HA GLY 83 2HA GLY 83 -10.247 5.494 -15.941 624 2HA GLY 83 1HA GLY 83 -10.188 5.145 -17.661 625 H TYR 84 H TYR 84 -10.424 3.100 -18.167 626 HA TYR 84 HA TYR 84 -10.534 0.835 -18.056 627 1HB TYR 84 2HB TYR 84 -7.902 1.650 -17.379 628 2HB TYR 84 1HB TYR 84 -8.302 0.253 -16.383 629 HD1 TYR 84 HD1 TYR 84 -7.275 -1.605 -17.293 630 HD2 TYR 84 HD2 TYR 84 -9.197 1.164 -19.887 631 HE1 TYR 84 HE1 TYR 84 -6.822 -3.086 -19.201 632 HE2 TYR 84 HE2 TYR 84 -8.750 -0.307 -21.805 633 HH TYR 84 HH TYR 84 -7.468 -3.523 -21.388 634 H ASP 85 H ASP 85 -12.181 -0.008 -16.934 635 HA ASP 85 HA ASP 85 -12.546 0.353 -14.135 636 1HB ASP 85 2HB ASP 85 -14.384 -0.050 -15.789 637 2HB ASP 85 1HB ASP 85 -13.822 -1.715 -15.931 638 H LEU 86 H LEU 86 -12.145 -1.045 -12.434 639 HA LEU 86 HA LEU 86 -10.461 -3.376 -13.060 640 1HB LEU 86 2HB LEU 86 -10.549 -1.535 -10.682 641 2HB LEU 86 1HB LEU 86 -9.762 -3.099 -10.609 642 HG LEU 86 HG LEU 86 -8.230 -1.170 -11.018 643 1HD1 LEU 86 1HD1 LEU 86 -8.392 -3.354 -13.081 644 2HD1 LEU 86 2HD1 LEU 86 -7.453 -3.348 -11.587 645 3HD1 LEU 86 3HD1 LEU 86 -7.015 -2.266 -12.909 646 1HD2 LEU 86 1HD2 LEU 86 -9.539 -1.116 -13.726 647 2HD2 LEU 86 2HD2 LEU 86 -8.155 -0.155 -13.205 648 3HD2 LEU 86 3HD2 LEU 86 -9.739 0.113 -12.476 649 HA PRO 87 HA PRO 87 -14.183 -5.509 -11.544 650 1HB PRO 87 2HB PRO 87 -13.280 -8.002 -12.234 651 2HB PRO 87 1HB PRO 87 -14.109 -6.910 -13.347 652 1HG PRO 87 2HG PRO 87 -11.186 -7.451 -13.044 653 2HG PRO 87 1HG PRO 87 -12.133 -7.207 -14.521 654 1HD PRO 87 2HD PRO 87 -10.573 -5.273 -13.453 655 2HD PRO 87 1HD PRO 87 -12.075 -4.910 -14.328 656 H GLU 88 H GLU 88 -14.387 -5.826 -9.405 657 HA GLU 88 HA GLU 88 -12.177 -6.548 -7.736 658 1HB GLU 88 2HB GLU 88 -15.116 -6.339 -7.063 659 2HB GLU 88 1HB GLU 88 -13.806 -6.461 -5.897 660 1HG GLU 88 2HG GLU 88 -14.377 -4.193 -5.959 661 2HG GLU 88 1HG GLU 88 -12.895 -4.324 -6.900 662 H LYS 89 H LYS 89 -11.549 -8.616 -8.544 663 HA LYS 89 HA LYS 89 -13.384 -10.819 -8.481 664 1HB LYS 89 2HB LYS 89 -10.377 -10.777 -8.704 665 2HB LYS 89 1HB LYS 89 -11.382 -12.206 -8.916 666 1HG LYS 89 2HG LYS 89 -12.569 -10.613 -10.686 667 2HG LYS 89 1HG LYS 89 -10.955 -9.893 -10.708 668 1HD LYS 89 2HD LYS 89 -11.642 -12.786 -11.191 669 2HD LYS 89 1HD LYS 89 -11.124 -11.613 -12.405 670 1HE LYS 89 2HE LYS 89 -8.959 -11.443 -11.403 671 2HE LYS 89 1HE LYS 89 -9.465 -12.418 -10.024 672 1HZ LYS 89 1HZ LYS 89 -8.613 -14.113 -11.168 673 2HZ LYS 89 2HZ LYS 89 -8.568 -13.251 -12.622 674 3HZ LYS 89 3HZ LYS 89 -9.995 -14.021 -12.141 675 H LEU 90 H LEU 90 -10.775 -9.705 -6.346 676 HA LEU 90 HA LEU 90 -10.450 -11.771 -4.618 677 1HB LEU 90 2HB LEU 90 -9.661 -9.222 -4.548 678 2HB LEU 90 1HB LEU 90 -10.923 -9.124 -3.336 679 HG LEU 90 HG LEU 90 -9.517 -11.346 -2.528 680 1HD1 LEU 90 1HD1 LEU 90 -7.844 -10.284 -4.372 681 2HD1 LEU 90 2HD1 LEU 90 -7.321 -11.213 -2.967 682 3HD1 LEU 90 3HD1 LEU 90 -7.308 -9.450 -2.911 683 1HD2 LEU 90 1HD2 LEU 90 -9.061 -8.485 -1.686 684 2HD2 LEU 90 2HD2 LEU 90 -8.655 -9.925 -0.750 685 3HD2 LEU 90 3HD2 LEU 90 -10.342 -9.544 -1.094 686 HA PRO 91 HA PRO 91 -14.430 -10.760 -2.101 687 1HB PRO 91 2HB PRO 91 -16.120 -8.871 -3.004 688 2HB PRO 91 1HB PRO 91 -14.713 -8.454 -2.015 689 1HG PRO 91 2HG PRO 91 -15.040 -8.322 -4.995 690 2HG PRO 91 1HG PRO 91 -14.336 -7.122 -3.895 691 1HD PRO 91 2HD PRO 91 -12.820 -8.840 -5.353 692 2HD PRO 91 1HD PRO 91 -12.325 -8.239 -3.756 693 H GLU 92 H GLU 92 -14.291 -10.850 -5.507 694 HA GLU 92 HA GLU 92 -16.879 -11.562 -6.250 695 1HB GLU 92 2HB GLU 92 -14.876 -10.960 -7.704 696 2HB GLU 92 1HB GLU 92 -14.351 -12.624 -7.502 697 1HG GLU 92 2HG GLU 92 -16.342 -13.425 -8.603 698 2HG GLU 92 1HG GLU 92 -16.968 -11.778 -8.724 699 H SER 93 H SER 93 -14.110 -13.731 -5.549 700 HA SER 93 HA SER 93 -16.039 -15.692 -4.566 701 1HB SER 93 2HB SER 93 -14.035 -16.373 -6.722 702 2HB SER 93 1HB SER 93 -15.135 -17.504 -5.931 703 HG SER 93 HG SER 93 -16.625 -15.517 -6.783 704 H LEU 94 H LEU 94 -13.561 -14.017 -3.653 705 HA LEU 94 HA LEU 94 -12.151 -16.294 -2.431 706 1HB LEU 94 2HB LEU 94 -11.170 -13.515 -3.063 707 2HB LEU 94 1HB LEU 94 -10.271 -14.652 -2.074 708 HG LEU 94 HG LEU 94 -10.169 -16.217 -3.982 709 1HD1 LEU 94 1HD1 LEU 94 -11.142 -14.062 -5.802 710 2HD1 LEU 94 2HD1 LEU 94 -12.308 -15.119 -5.010 711 3HD1 LEU 94 3HD1 LEU 94 -11.070 -15.804 -6.058 712 1HD2 LEU 94 1HD2 LEU 94 -8.748 -14.691 -5.478 713 2HD2 LEU 94 2HD2 LEU 94 -8.255 -14.907 -3.799 714 3HD2 LEU 94 3HD2 LEU 94 -9.096 -13.436 -4.289 715 H MET 95 H MET 95 -13.091 -12.916 -1.689 716 HA MET 95 HA MET 95 -13.193 -13.682 1.145 717 1HB MET 95 2HB MET 95 -12.855 -11.027 -0.222 718 2HB MET 95 1HB MET 95 -13.237 -11.164 1.486 719 1HG MET 95 2HG MET 95 -11.194 -12.571 1.750 720 2HG MET 95 1HG MET 95 -10.794 -12.193 0.077 721 1HE MET 95 1HE MET 95 -8.624 -11.745 1.165 722 2HE MET 95 2HE MET 95 -8.726 -11.185 2.834 723 3HE MET 95 3HE MET 95 -8.124 -10.106 1.577 724 HA PRO 96 HA PRO 96 -17.634 -12.904 -0.219 725 1HB PRO 96 2HB PRO 96 -18.620 -15.388 -0.006 726 2HB PRO 96 1HB PRO 96 -17.752 -14.874 -1.454 727 1HG PRO 96 2HG PRO 96 -16.736 -16.438 0.899 728 2HG PRO 96 1HG PRO 96 -16.534 -16.776 -0.832 729 1HD PRO 96 2HD PRO 96 -14.622 -15.550 0.654 730 2HD PRO 96 1HD PRO 96 -14.862 -15.208 -1.072 731 H LYS 97 HN LYS 97 -19.423 -14.709 1.292 732 HA LYS 97 HA LYS 97 -18.685 -14.134 4.065 733 1HB LYS 97 2HB LYS 97 -20.945 -12.989 2.542 734 2HB LYS 97 1HB LYS 97 -21.340 -13.581 4.148 735 1HG LYS 97 2HG LYS 97 -20.835 -11.252 4.307 736 2HG LYS 97 1HG LYS 97 -19.513 -12.154 5.053 737 1HD LYS 97 2HD LYS 97 -18.191 -11.904 3.018 738 2HD LYS 97 1HD LYS 97 -19.507 -11.022 2.254 739 1HE LYS 97 2HE LYS 97 -19.286 -9.235 3.870 740 2HE LYS 97 1HE LYS 97 -18.053 -10.143 4.750 741 1HZ LYS 97 1HZ LYS 97 -17.005 -10.106 2.299 742 2HZ LYS 97 2HZ LYS 97 -16.667 -8.937 3.475 743 3HZ LYS 97 3HZ LYS 97 -17.831 -8.626 2.286 Start of MODEL 10 1 1H TRP 6 1H TRP 6 -1.944 1.766 -19.871 2 2H TRP 6 2H TRP 6 -3.361 1.354 -19.037 3 3H TRP 6 3H TRP 6 -3.005 0.618 -20.521 4 HA TRP 6 HA TRP 6 -1.719 0.220 -17.900 5 1HB TRP 6 2HB TRP 6 -3.029 -1.562 -19.964 6 2HB TRP 6 1HB TRP 6 -2.084 -2.206 -18.628 7 HD1 TRP 6 HD1 TRP 6 -5.520 -0.941 -19.456 8 HE1 TRP 6 HE1 TRP 6 -6.983 -0.946 -17.333 9 HE3 TRP 6 HE3 TRP 6 -1.884 -1.822 -15.979 10 HZ2 TRP 6 HZ2 TRP 6 -6.623 -1.267 -14.537 11 HZ3 TRP 6 HZ3 TRP 6 -2.515 -1.957 -13.608 12 HH2 TRP 6 HH2 TRP 6 -4.827 -1.683 -12.900 13 H LYS 7 H LYS 7 -0.370 -2.159 -18.810 14 HA LYS 7 HA LYS 7 1.601 -2.856 -19.684 15 1HB LYS 7 2HB LYS 7 0.650 -2.186 -21.851 16 2HB LYS 7 1HB LYS 7 1.261 -0.554 -21.613 17 1HG LYS 7 2HG LYS 7 3.481 -1.219 -21.874 18 2HG LYS 7 1HG LYS 7 3.096 -2.919 -21.603 19 1HD LYS 7 2HD LYS 7 3.571 -2.388 -23.977 20 2HD LYS 7 1HD LYS 7 1.957 -3.052 -23.718 21 1HE LYS 7 2HE LYS 7 1.035 -0.773 -23.760 22 2HE LYS 7 1HE LYS 7 2.650 -0.139 -24.075 23 1HZ LYS 7 1HZ LYS 7 2.710 -1.314 -26.151 24 2HZ LYS 7 2HZ LYS 7 1.292 -0.393 -26.099 25 3HZ LYS 7 3HZ LYS 7 1.225 -2.062 -25.835 26 H ILE 8 H ILE 8 3.013 -2.559 -18.102 27 HA ILE 8 HA ILE 8 3.899 -0.037 -17.158 28 HB ILE 8 HB ILE 8 5.035 -2.793 -16.702 29 1HG1 ILE 8 2HG1 ILE 8 3.127 -1.104 -15.072 30 2HG1 ILE 8 1HG1 ILE 8 2.719 -2.572 -15.956 31 1HG2 ILE 8 1HG2 ILE 8 5.726 -1.386 -14.514 32 2HG2 ILE 8 2HG2 ILE 8 5.829 -0.124 -15.741 33 3HG2 ILE 8 3HG2 ILE 8 6.778 -1.600 -15.913 34 1HD1 ILE 8 1HD1 ILE 8 4.904 -2.980 -14.104 35 2HD1 ILE 8 2HD1 ILE 8 3.389 -3.866 -14.283 36 3HD1 ILE 8 3HD1 ILE 8 3.444 -2.397 -13.308 37 H THR 9 H THR 9 5.871 0.989 -17.357 38 HA THR 9 HA THR 9 7.805 -0.074 -19.296 39 HB THR 9 HB THR 9 7.037 2.837 -19.368 40 HG1 THR 9 HG1 THR 9 5.593 0.716 -20.307 41 1HG2 THR 9 1HG2 THR 9 7.917 1.770 -21.846 42 2HG2 THR 9 2HG2 THR 9 9.024 1.213 -20.590 43 3HG2 THR 9 3HG2 THR 9 8.728 2.939 -20.804 44 H ASP 10 H ASP 10 9.956 0.449 -18.795 45 HA ASP 10 HA ASP 10 10.691 0.868 -16.194 46 1HB ASP 10 2HB ASP 10 12.192 0.110 -18.039 47 2HB ASP 10 1HB ASP 10 12.317 1.783 -18.577 48 H GLU 11 H GLU 11 10.175 3.291 -18.669 49 HA GLU 11 HA GLU 11 11.146 5.558 -17.494 50 1HB GLU 11 2HB GLU 11 8.658 5.133 -19.160 51 2HB GLU 11 1HB GLU 11 9.359 6.695 -18.815 52 1HG GLU 11 2HG GLU 11 9.862 5.646 -21.082 53 2HG GLU 11 1HG GLU 11 11.201 6.339 -20.184 54 H GLN 12 H GLN 12 8.080 3.914 -16.991 55 HA GLN 12 HA GLN 12 7.128 5.822 -15.085 56 1HB GLN 12 2HB GLN 12 6.167 3.268 -16.251 57 2HB GLN 12 1HB GLN 12 5.554 3.701 -14.666 58 1HG GLN 12 2HG GLN 12 4.102 4.438 -16.521 59 2HG GLN 12 1HG GLN 12 4.658 5.757 -15.492 60 1HE2 GLN 12 1HE2 GLN 12 3.965 5.179 -18.531 61 2HE2 GLN 12 2HE2 GLN 12 5.163 6.125 -19.340 62 H ARG 13 H ARG 13 8.589 2.583 -14.993 63 HA ARG 13 HA ARG 13 8.419 1.983 -12.309 64 1HB ARG 13 2HB ARG 13 9.439 0.366 -13.712 65 2HB ARG 13 1HB ARG 13 10.625 1.513 -14.305 66 1HG ARG 13 2HG ARG 13 11.511 1.581 -11.904 67 2HG ARG 13 1HG ARG 13 10.548 0.124 -11.647 68 1HD ARG 13 2HD ARG 13 12.430 0.285 -13.968 69 2HD ARG 13 1HD ARG 13 13.037 -0.089 -12.366 70 HE ARG 13 HE ARG 13 11.370 -1.779 -14.026 71 1HH1 ARG 13 2HH1 ARG 13 13.037 -1.248 -11.081 72 2HH1 ARG 13 1HH1 ARG 13 12.811 -2.854 -10.496 73 1HH2 ARG 13 1HH2 ARG 13 11.050 -3.906 -13.280 74 2HH2 ARG 13 2HH2 ARG 13 11.654 -4.348 -11.725 75 H GLN 14 H GLN 14 11.044 3.747 -13.900 76 HA GLN 14 HA GLN 14 12.472 4.436 -11.631 77 1HB GLN 14 2HB GLN 14 12.330 5.266 -14.453 78 2HB GLN 14 1HB GLN 14 13.052 6.432 -13.362 79 1HG GLN 14 2HG GLN 14 14.744 5.012 -14.370 80 2HG GLN 14 1HG GLN 14 14.668 4.760 -12.628 81 1HE2 GLN 14 1HE2 GLN 14 14.895 3.221 -15.521 82 2HE2 GLN 14 2HE2 GLN 14 14.317 1.677 -15.050 83 H TYR 15 H TYR 15 9.996 6.285 -13.396 84 HA TYR 15 HA TYR 15 10.073 8.674 -12.064 85 1HB TYR 15 2HB TYR 15 8.556 8.096 -13.953 86 2HB TYR 15 1HB TYR 15 7.548 7.191 -12.831 87 HD1 TYR 15 HD1 TYR 15 9.147 10.575 -12.652 88 HD2 TYR 15 HD2 TYR 15 5.561 8.291 -12.513 89 HE1 TYR 15 HE1 TYR 15 7.868 12.624 -12.162 90 HE2 TYR 15 HE2 TYR 15 4.275 10.327 -12.023 91 HH TYR 15 HH TYR 15 5.689 13.241 -11.093 92 H TYR 16 H TYR 16 8.131 5.847 -11.071 93 HA TYR 16 HA TYR 16 7.151 6.921 -8.673 94 1HB TYR 16 2HB TYR 16 7.791 4.010 -9.166 95 2HB TYR 16 1HB TYR 16 6.568 4.667 -8.086 96 HD1 TYR 16 HD1 TYR 16 5.825 2.602 -9.947 97 HD2 TYR 16 HD2 TYR 16 6.060 6.805 -10.567 98 HE1 TYR 16 HE1 TYR 16 4.165 2.422 -11.748 99 HE2 TYR 16 HE2 TYR 16 4.396 6.639 -12.372 100 HH TYR 16 HH TYR 16 2.558 5.069 -13.035 101 H VAL 17 H VAL 17 9.939 4.778 -9.228 102 HA VAL 17 HA VAL 17 10.846 4.572 -6.613 103 HB VAL 17 HB VAL 17 12.576 4.709 -9.087 104 1HG1 VAL 17 1HG1 VAL 17 13.824 2.966 -7.507 105 2HG1 VAL 17 2HG1 VAL 17 13.059 3.955 -6.263 106 3HG1 VAL 17 3HG1 VAL 17 14.138 4.697 -7.440 107 1HG2 VAL 17 1HG2 VAL 17 10.533 2.894 -8.498 108 2HG2 VAL 17 2HG2 VAL 17 12.035 2.056 -8.111 109 3HG2 VAL 17 3HG2 VAL 17 11.792 2.728 -9.724 110 H ASN 18 H ASN 18 11.541 7.074 -9.031 111 HA ASN 18 HA ASN 18 13.528 8.503 -7.813 112 1HB ASN 18 2HB ASN 18 11.599 8.997 -9.826 113 2HB ASN 18 1HB ASN 18 11.560 10.374 -8.729 114 1HD2 ASN 18 1HD2 ASN 18 12.747 11.940 -9.496 115 2HD2 ASN 18 2HD2 ASN 18 14.294 11.779 -10.242 116 H GLN 19 H GLN 19 10.140 8.374 -6.957 117 HA GLN 19 HA GLN 19 10.557 10.312 -4.807 118 1HB GLN 19 2HB GLN 19 8.365 9.615 -6.477 119 2HB GLN 19 1HB GLN 19 7.906 9.254 -4.819 120 1HG GLN 19 2HG GLN 19 9.062 11.888 -5.673 121 2HG GLN 19 1HG GLN 19 7.332 11.551 -5.634 122 1HE2 GLN 19 1HE2 GLN 19 6.515 12.581 -3.957 123 2HE2 GLN 19 2HE2 GLN 19 7.159 12.584 -2.355 124 H PHE 20 H PHE 20 9.175 7.041 -5.206 125 HA PHE 20 HA PHE 20 8.919 6.474 -2.501 126 1HB PHE 20 2HB PHE 20 8.892 4.917 -4.960 127 2HB PHE 20 1HB PHE 20 9.389 4.005 -3.537 128 HD1 PHE 20 HD1 PHE 20 6.855 6.615 -4.357 129 HD2 PHE 20 HD2 PHE 20 7.701 2.915 -2.434 130 HE1 PHE 20 HE1 PHE 20 4.517 6.473 -3.611 131 HE2 PHE 20 HE2 PHE 20 5.361 2.765 -1.691 132 HZ PHE 20 HZ PHE 20 3.775 4.550 -2.276 133 H LYS 21 H LYS 21 11.779 6.590 -4.411 134 HA LYS 21 HA LYS 21 13.538 4.858 -3.297 135 1HB LYS 21 2HB LYS 21 13.790 7.597 -4.378 136 2HB LYS 21 1HB LYS 21 15.151 7.020 -3.424 137 1HG LYS 21 2HG LYS 21 15.479 5.169 -4.883 138 2HG LYS 21 1HG LYS 21 13.977 5.509 -5.742 139 1HD LYS 21 2HD LYS 21 14.941 7.682 -6.460 140 2HD LYS 21 1HD LYS 21 16.461 7.218 -5.689 141 1HE LYS 21 2HE LYS 21 16.781 5.409 -7.189 142 2HE LYS 21 1HE LYS 21 15.134 5.534 -7.802 143 1HZ LYS 21 1HZ LYS 21 16.595 6.486 -9.400 144 2HZ LYS 21 2HZ LYS 21 17.349 7.460 -8.238 145 3HZ LYS 21 3HZ LYS 21 15.741 7.757 -8.678 146 H THR 22 H THR 22 12.354 7.822 -1.749 147 HA THR 22 HA THR 22 14.173 7.884 0.406 148 HB THR 22 HB THR 22 12.665 9.760 -0.052 149 HG1 THR 22 HG1 THR 22 12.428 8.544 2.523 150 1HG2 THR 22 1HG2 THR 22 10.421 9.610 -0.105 151 2HG2 THR 22 2HG2 THR 22 10.365 8.595 1.336 152 3HG2 THR 22 3HG2 THR 22 10.691 7.872 -0.239 153 H ILE 23 H ILE 23 11.961 5.558 -0.355 154 HA ILE 23 HA ILE 23 12.060 4.448 2.353 155 HB ILE 23 HB ILE 23 9.552 4.551 0.669 156 1HG1 ILE 23 2HG1 ILE 23 10.174 5.846 3.332 157 2HG1 ILE 23 1HG1 ILE 23 10.128 6.692 1.791 158 1HG2 ILE 23 1HG2 ILE 23 9.641 2.467 1.835 159 2HG2 ILE 23 2HG2 ILE 23 8.507 3.515 2.686 160 3HG2 ILE 23 3HG2 ILE 23 10.130 3.264 3.330 161 1HD1 ILE 23 1HD1 ILE 23 8.095 6.961 3.194 162 2HD1 ILE 23 2HD1 ILE 23 7.780 5.240 2.979 163 3HD1 ILE 23 3HD1 ILE 23 7.782 6.317 1.582 164 H GLN 24 H GLN 24 10.999 3.701 -1.014 165 HA GLN 24 HA GLN 24 12.486 1.190 -0.804 166 1HB GLN 24 2HB GLN 24 9.746 1.312 -0.513 167 2HB GLN 24 1HB GLN 24 9.966 0.895 -2.204 168 1HG GLN 24 2HG GLN 24 10.303 -1.214 -1.616 169 2HG GLN 24 1HG GLN 24 11.747 -0.714 -0.730 170 1HE2 GLN 24 1HE2 GLN 24 11.736 -0.831 1.431 171 2HE2 GLN 24 2HE2 GLN 24 10.360 -1.234 2.396 172 HA PRO 25 HA PRO 25 13.294 3.239 -4.901 173 1HB PRO 25 2HB PRO 25 15.853 2.303 -5.091 174 2HB PRO 25 1HB PRO 25 15.424 3.812 -4.280 175 1HG PRO 25 2HG PRO 25 15.949 1.110 -3.101 176 2HG PRO 25 1HG PRO 25 16.494 2.699 -2.536 177 1HD PRO 25 2HD PRO 25 14.413 1.427 -1.398 178 2HD PRO 25 1HD PRO 25 14.451 3.196 -1.568 179 H ASP 26 H ASP 26 14.955 0.155 -4.217 180 HA ASP 26 HA ASP 26 13.316 -1.341 -6.065 181 1HB ASP 26 2HB ASP 26 15.127 0.028 -7.333 182 2HB ASP 26 1HB ASP 26 16.252 -1.145 -6.668 183 H LEU 27 H LEU 27 14.337 -1.346 -3.226 184 HA LEU 27 HA LEU 27 16.023 -3.708 -3.104 185 1HB LEU 27 2HB LEU 27 14.834 -2.004 -0.922 186 2HB LEU 27 1HB LEU 27 15.970 -3.317 -0.671 187 HG LEU 27 HG LEU 27 16.526 -0.767 -2.188 188 1HD1 LEU 27 1HD1 LEU 27 17.477 -1.753 0.496 189 2HD1 LEU 27 2HD1 LEU 27 16.389 -0.398 0.198 190 3HD1 LEU 27 3HD1 LEU 27 18.069 -0.311 -0.330 191 1HD2 LEU 27 1HD2 LEU 27 18.934 -1.833 -1.822 192 2HD2 LEU 27 2HD2 LEU 27 17.953 -2.189 -3.244 193 3HD2 LEU 27 3HD2 LEU 27 17.997 -3.325 -1.896 194 H ASN 28 H ASN 28 15.321 -5.150 -1.051 195 HA ASN 28 HA ASN 28 12.724 -6.265 -1.823 196 1HB ASN 28 2HB ASN 28 14.773 -7.725 -1.770 197 2HB ASN 28 1HB ASN 28 14.833 -7.480 -0.026 198 1HD2 ASN 28 1HD2 ASN 28 13.509 -8.626 1.262 199 2HD2 ASN 28 2HD2 ASN 28 12.391 -9.810 0.689 200 H GLY 29 H GLY 29 12.672 -3.908 -0.400 201 1HA GLY 29 2HA GLY 29 12.043 -4.636 2.370 202 2HA GLY 29 1HA GLY 29 12.254 -3.002 1.759 203 H PHE 30 H PHE 30 10.076 -3.962 3.352 204 HA PHE 30 HA PHE 30 7.863 -3.673 1.431 205 1HB PHE 30 2HB PHE 30 7.660 -4.991 4.137 206 2HB PHE 30 1HB PHE 30 6.487 -5.029 2.826 207 HD1 PHE 30 HD1 PHE 30 6.303 -7.068 1.823 208 HD2 PHE 30 HD2 PHE 30 10.127 -5.794 3.183 209 HE1 PHE 30 HE1 PHE 30 7.293 -9.163 0.996 210 HE2 PHE 30 HE2 PHE 30 11.125 -7.885 2.355 211 HZ PHE 30 HZ PHE 30 9.707 -9.572 1.259 212 H ILE 31 H ILE 31 6.591 -1.976 1.662 213 HA ILE 31 HA ILE 31 7.016 -0.143 3.869 214 HB ILE 31 HB ILE 31 5.689 0.047 1.197 215 1HG1 ILE 31 2HG1 ILE 31 7.485 2.027 2.579 216 2HG1 ILE 31 1HG1 ILE 31 8.141 0.616 1.747 217 1HG2 ILE 31 1HG2 ILE 31 4.965 1.579 3.632 218 2HG2 ILE 31 2HG2 ILE 31 3.976 1.113 2.249 219 3HG2 ILE 31 3HG2 ILE 31 5.099 2.466 2.113 220 1HD1 ILE 31 1HD1 ILE 31 8.266 2.388 0.216 221 2HD1 ILE 31 2HD1 ILE 31 6.630 2.932 0.588 222 3HD1 ILE 31 3HD1 ILE 31 6.879 1.427 -0.297 223 HA PRO 32 HA PRO 32 3.410 -1.565 5.999 224 1HB PRO 32 2HB PRO 32 3.126 0.517 7.714 225 2HB PRO 32 1HB PRO 32 4.376 -0.717 7.906 226 1HG PRO 32 2HG PRO 32 4.591 2.037 6.766 227 2HG PRO 32 1HG PRO 32 5.714 1.173 7.832 228 1HD PRO 32 2HD PRO 32 6.087 1.409 5.142 229 2HD PRO 32 1HD PRO 32 6.686 0.033 6.088 230 H GLY 33 H GLY 33 1.204 -1.285 5.810 231 1HA GLY 33 2HA GLY 33 0.117 0.169 3.760 232 2HA GLY 33 1HA GLY 33 -0.797 -0.298 5.190 233 H SER 34 H SER 34 0.994 1.268 6.919 234 HA SER 34 HA SER 34 -0.454 3.612 7.186 235 1HB SER 34 2HB SER 34 0.963 2.763 8.974 236 2HB SER 34 1HB SER 34 2.407 3.042 8.002 237 HG SER 34 HG SER 34 2.359 4.847 9.137 238 H ALA 35 H ALA 35 2.863 3.350 5.815 239 HA ALA 35 HA ALA 35 2.987 6.018 4.932 240 1HB ALA 35 1HB ALA 35 4.807 5.147 3.419 241 2HB ALA 35 2HB ALA 35 4.437 3.536 4.032 242 3HB ALA 35 3HB ALA 35 5.014 4.786 5.133 243 H ALA 36 H ALA 36 2.248 3.032 3.163 244 HA ALA 36 HA ALA 36 1.804 4.112 0.651 245 1HB ALA 36 1HB ALA 36 0.703 1.701 2.049 246 2HB ALA 36 2HB ALA 36 1.866 1.790 0.728 247 3HB ALA 36 3HB ALA 36 0.162 2.128 0.425 248 H LYS 37 H LYS 37 -0.456 3.728 3.349 249 HA LYS 37 HA LYS 37 -2.812 4.527 2.133 250 1HB LYS 37 2HB LYS 37 -1.803 4.165 4.804 251 2HB LYS 37 1HB LYS 37 -2.802 5.604 4.739 252 1HG LYS 37 2HG LYS 37 -4.162 3.744 5.364 253 2HG LYS 37 1HG LYS 37 -4.612 4.247 3.735 254 1HD LYS 37 2HD LYS 37 -3.474 2.413 2.759 255 2HD LYS 37 1HD LYS 37 -2.666 2.020 4.279 256 1HE LYS 37 2HE LYS 37 -5.613 1.774 3.676 257 2HE LYS 37 1HE LYS 37 -4.469 0.453 3.909 258 1HZ LYS 37 1HZ LYS 37 -5.938 1.901 5.858 259 2HZ LYS 37 2HZ LYS 37 -4.280 2.041 6.169 260 3HZ LYS 37 3HZ LYS 37 -4.994 0.509 6.057 261 H GLU 38 H GLU 38 -0.530 6.533 3.974 262 HA GLU 38 HA GLU 38 -1.804 8.982 3.366 263 1HB GLU 38 2HB GLU 38 0.779 8.111 4.574 264 2HB GLU 38 1HB GLU 38 0.544 9.802 4.168 265 1HG GLU 38 2HG GLU 38 -1.250 10.027 5.665 266 2HG GLU 38 1HG GLU 38 -1.424 8.279 5.835 267 H PHE 39 H PHE 39 1.239 7.554 2.203 268 HA PHE 39 HA PHE 39 2.050 9.495 0.451 269 1HB PHE 39 2HB PHE 39 2.763 6.877 1.047 270 2HB PHE 39 1HB PHE 39 2.374 6.829 -0.661 271 HD1 PHE 39 HD1 PHE 39 4.404 8.670 1.832 272 HD2 PHE 39 HD2 PHE 39 3.928 7.555 -2.246 273 HE1 PHE 39 HE1 PHE 39 6.607 9.634 1.316 274 HE2 PHE 39 HE2 PHE 39 6.135 8.515 -2.770 275 HZ PHE 39 HZ PHE 39 7.476 9.556 -0.985 276 H PHE 40 H PHE 40 -0.013 6.677 -0.332 277 HA PHE 40 HA PHE 40 -0.587 7.550 -2.965 278 1HB PHE 40 2HB PHE 40 -1.744 5.490 -1.141 279 2HB PHE 40 1HB PHE 40 -2.653 5.953 -2.574 280 HD1 PHE 40 HD1 PHE 40 -1.594 5.709 -4.819 281 HD2 PHE 40 HD2 PHE 40 0.113 4.052 -1.291 282 HE1 PHE 40 HE1 PHE 40 -0.232 4.194 -6.196 283 HE2 PHE 40 HE2 PHE 40 1.482 2.533 -2.664 284 HZ PHE 40 HZ PHE 40 1.310 2.605 -5.120 285 H THR 41 H THR 41 -2.585 7.662 -0.001 286 HA THR 41 HA THR 41 -4.836 8.894 -0.935 287 HB THR 41 HB THR 41 -3.349 9.359 1.647 288 HG1 THR 41 HG1 THR 41 -4.334 7.325 1.413 289 1HG2 THR 41 1HG2 THR 41 -4.555 11.211 1.968 290 2HG2 THR 41 2HG2 THR 41 -5.965 10.160 2.079 291 3HG2 THR 41 3HG2 THR 41 -5.543 10.907 0.538 292 H LYS 42 H LYS 42 -1.756 10.402 -0.141 293 HA LYS 42 HA LYS 42 -2.384 13.075 -0.422 294 1HB LYS 42 2HB LYS 42 0.052 11.430 -0.697 295 2HB LYS 42 1HB LYS 42 0.117 13.025 -1.436 296 1HG LYS 42 2HG LYS 42 -0.046 14.116 0.569 297 2HG LYS 42 1HG LYS 42 -0.876 12.772 1.356 298 1HD LYS 42 2HD LYS 42 1.127 11.532 1.560 299 2HD LYS 42 1HD LYS 42 1.993 12.614 0.466 300 1HE LYS 42 2HE LYS 42 2.552 12.947 2.868 301 2HE LYS 42 1HE LYS 42 1.928 14.392 2.074 302 1HZ LYS 42 1HZ LYS 42 1.022 13.809 4.372 303 2HZ LYS 42 2HZ LYS 42 0.144 12.590 3.592 304 3HZ LYS 42 3HZ LYS 42 -0.101 14.209 3.168 305 H SER 43 H SER 43 -1.784 10.694 -2.943 306 HA SER 43 HA SER 43 -1.373 12.315 -5.134 307 1HB SER 43 2HB SER 43 -2.960 9.751 -4.932 308 2HB SER 43 1HB SER 43 -2.554 10.518 -6.467 309 HG SER 43 HG SER 43 -0.448 10.124 -4.696 310 H LYS 44 H LYS 44 -4.522 11.303 -3.822 311 HA LYS 44 HA LYS 44 -5.929 13.552 -3.869 312 1HB LYS 44 2HB LYS 44 -5.474 14.197 -6.071 313 2HB LYS 44 1HB LYS 44 -5.682 12.565 -6.694 314 1HG LYS 44 2HG LYS 44 -8.073 12.701 -6.332 315 2HG LYS 44 1HG LYS 44 -7.890 14.299 -5.607 316 1HD LYS 44 2HD LYS 44 -7.063 13.634 -8.423 317 2HD LYS 44 1HD LYS 44 -8.640 14.307 -7.998 318 1HE LYS 44 2HE LYS 44 -7.500 16.240 -6.968 319 2HE LYS 44 1HE LYS 44 -5.950 15.576 -7.478 320 1HZ LYS 44 1HZ LYS 44 -8.015 16.901 -9.051 321 2HZ LYS 44 2HZ LYS 44 -7.197 15.627 -9.802 322 3HZ LYS 44 3HZ LYS 44 -6.331 16.954 -9.211 323 H LEU 45 H LEU 45 -6.216 10.355 -5.408 324 HA LEU 45 HA LEU 45 -8.914 9.933 -5.051 325 1HB LEU 45 2HB LEU 45 -6.617 7.996 -4.947 326 2HB LEU 45 1HB LEU 45 -8.291 7.479 -4.875 327 HG LEU 45 HG LEU 45 -7.013 8.982 -7.161 328 1HD1 LEU 45 1HD1 LEU 45 -8.050 6.156 -7.101 329 2HD1 LEU 45 2HD1 LEU 45 -6.353 6.575 -6.861 330 3HD1 LEU 45 3HD1 LEU 45 -7.148 6.951 -8.390 331 1HD2 LEU 45 1HD2 LEU 45 -9.049 9.137 -8.174 332 2HD2 LEU 45 2HD2 LEU 45 -9.579 9.223 -6.493 333 3HD2 LEU 45 3HD2 LEU 45 -9.680 7.697 -7.372 334 HA PRO 46 HA PRO 46 -9.540 9.851 -0.690 335 1HB PRO 46 2HB PRO 46 -11.926 8.535 -0.670 336 2HB PRO 46 1HB PRO 46 -11.759 10.230 -1.142 337 1HG PRO 46 2HG PRO 46 -11.927 7.793 -2.882 338 2HG PRO 46 1HG PRO 46 -12.763 9.349 -3.056 339 1HD PRO 46 2HD PRO 46 -10.576 8.753 -4.498 340 2HD PRO 46 1HD PRO 46 -10.887 10.403 -3.916 341 H ILE 47 H ILE 47 -8.508 8.566 0.691 342 HA ILE 47 HA ILE 47 -7.430 6.135 0.360 343 HB ILE 47 HB ILE 47 -7.073 7.405 2.401 344 1HG1 ILE 47 2HG1 ILE 47 -8.184 4.646 2.957 345 2HG1 ILE 47 1HG1 ILE 47 -6.550 5.000 2.405 346 1HG2 ILE 47 1HG2 ILE 47 -8.647 7.818 4.022 347 2HG2 ILE 47 2HG2 ILE 47 -9.630 6.424 3.577 348 3HG2 ILE 47 3HG2 ILE 47 -9.645 7.872 2.570 349 1HD1 ILE 47 1HD1 ILE 47 -7.741 5.892 5.019 350 2HD1 ILE 47 2HD1 ILE 47 -6.086 6.170 4.475 351 3HD1 ILE 47 3HD1 ILE 47 -6.645 4.529 4.799 352 H LEU 48 H LEU 48 -10.812 6.735 1.098 353 HA LEU 48 HA LEU 48 -11.703 4.254 1.853 354 1HB LEU 48 2HB LEU 48 -13.077 6.335 1.594 355 2HB LEU 48 1HB LEU 48 -13.101 6.047 -0.136 356 HG LEU 48 HG LEU 48 -14.243 3.877 0.285 357 1HD1 LEU 48 1HD1 LEU 48 -14.349 3.016 2.328 358 2HD1 LEU 48 2HD1 LEU 48 -15.234 4.430 2.898 359 3HD1 LEU 48 3HD1 LEU 48 -13.472 4.414 2.951 360 1HD2 LEU 48 1HD2 LEU 48 -16.128 5.003 -0.064 361 2HD2 LEU 48 2HD2 LEU 48 -15.285 6.486 0.383 362 3HD2 LEU 48 3HD2 LEU 48 -16.149 5.559 1.610 363 H GLU 49 H GLU 49 -11.163 5.438 -1.457 364 HA GLU 49 HA GLU 49 -11.794 2.962 -2.732 365 1HB GLU 49 2HB GLU 49 -10.335 5.458 -3.589 366 2HB GLU 49 1HB GLU 49 -10.412 4.047 -4.633 367 1HG GLU 49 2HG GLU 49 -12.942 5.154 -3.524 368 2HG GLU 49 1HG GLU 49 -12.150 5.978 -4.871 369 H LEU 50 H LEU 50 -8.754 4.612 -1.962 370 HA LEU 50 HA LEU 50 -6.881 2.896 -2.912 371 1HB LEU 50 2HB LEU 50 -7.003 4.730 -0.613 372 2HB LEU 50 1HB LEU 50 -5.727 3.531 -0.545 373 HG LEU 50 HG LEU 50 -4.958 5.644 -1.544 374 1HD1 LEU 50 1HD1 LEU 50 -4.252 4.552 -3.812 375 2HD1 LEU 50 2HD1 LEU 50 -5.009 3.113 -3.125 376 3HD1 LEU 50 3HD1 LEU 50 -3.664 3.887 -2.287 377 1HD2 LEU 50 1HD2 LEU 50 -6.047 5.567 -4.106 378 2HD2 LEU 50 2HD2 LEU 50 -6.375 6.761 -2.850 379 3HD2 LEU 50 3HD2 LEU 50 -7.421 5.352 -3.022 380 H SER 51 H SER 51 -8.630 2.473 0.162 381 HA SER 51 HA SER 51 -7.327 0.370 1.294 382 1HB SER 51 2HB SER 51 -9.317 1.260 2.328 383 2HB SER 51 1HB SER 51 -10.318 0.715 0.983 384 HG SER 51 HG SER 51 -10.519 -1.092 2.017 385 H HIS 52 H HIS 52 -9.508 0.214 -1.476 386 HA HIS 52 HA HIS 52 -9.497 -2.610 -1.723 387 1HB HIS 52 2HB HIS 52 -11.269 -1.430 -2.753 388 2HB HIS 52 1HB HIS 52 -10.165 -0.368 -3.619 389 HD1 HIS 52 HD1 HIS 52 -10.771 -4.155 -3.551 390 HD2 HIS 52 HD2 HIS 52 -10.022 -1.030 -6.187 391 HE1 HIS 52 HE1 HIS 52 -10.756 -5.166 -5.869 392 H ILE 53 H ILE 53 -7.452 -0.080 -3.096 393 HA ILE 53 HA ILE 53 -6.107 -1.596 -5.031 394 HB ILE 53 HB ILE 53 -5.035 0.708 -3.396 395 1HG1 ILE 53 2HG1 ILE 53 -6.395 0.655 -6.099 396 2HG1 ILE 53 1HG1 ILE 53 -7.097 1.270 -4.604 397 1HG2 ILE 53 1HG2 ILE 53 -3.593 -0.962 -5.007 398 2HG2 ILE 53 2HG2 ILE 53 -3.169 0.707 -4.628 399 3HG2 ILE 53 3HG2 ILE 53 -4.039 0.334 -6.116 400 1HD1 ILE 53 1HD1 ILE 53 -6.351 3.252 -5.276 401 2HD1 ILE 53 2HD1 ILE 53 -5.274 2.538 -6.477 402 3HD1 ILE 53 3HD1 ILE 53 -4.754 2.674 -4.796 403 H TRP 54 H TRP 54 -5.232 -1.039 -1.605 404 HA TRP 54 HA TRP 54 -2.760 -2.216 -1.515 405 1HB TRP 54 2HB TRP 54 -3.814 -1.248 0.477 406 2HB TRP 54 1HB TRP 54 -4.961 -2.585 0.530 407 HD1 TRP 54 HD1 TRP 54 -4.013 -4.992 1.294 408 HE1 TRP 54 HE1 TRP 54 -1.934 -5.657 2.652 409 HE3 TRP 54 HE3 TRP 54 -1.412 -0.601 0.993 410 HZ2 TRP 54 HZ2 TRP 54 0.482 -4.470 3.505 411 HZ3 TRP 54 HZ3 TRP 54 0.770 -0.448 2.113 412 HH2 TRP 54 HH2 TRP 54 1.699 -2.341 3.344 413 H GLU 55 H GLU 55 -5.838 -3.961 -1.083 414 HA GLU 55 HA GLU 55 -4.846 -6.509 -0.863 415 1HB GLU 55 2HB GLU 55 -7.345 -5.650 -2.332 416 2HB GLU 55 1HB GLU 55 -6.991 -7.295 -1.818 417 1HG GLU 55 2HG GLU 55 -7.495 -4.895 -0.086 418 2HG GLU 55 1HG GLU 55 -8.467 -6.361 -0.226 419 H LEU 56 H LEU 56 -5.731 -4.871 -3.903 420 HA LEU 56 HA LEU 56 -5.009 -6.847 -5.688 421 1HB LEU 56 2HB LEU 56 -4.929 -3.858 -5.850 422 2HB LEU 56 1HB LEU 56 -4.358 -4.828 -7.193 423 HG LEU 56 HG LEU 56 -6.558 -5.889 -7.380 424 1HD1 LEU 56 1HD1 LEU 56 -7.569 -3.932 -5.343 425 2HD1 LEU 56 2HD1 LEU 56 -7.058 -5.561 -4.902 426 3HD1 LEU 56 3HD1 LEU 56 -8.391 -5.331 -6.032 427 1HD2 LEU 56 1HD2 LEU 56 -6.103 -3.889 -8.684 428 2HD2 LEU 56 2HD2 LEU 56 -6.654 -2.877 -7.348 429 3HD2 LEU 56 3HD2 LEU 56 -7.794 -3.933 -8.183 430 H SER 57 H SER 57 -2.927 -4.566 -4.001 431 HA SER 57 HA SER 57 -0.564 -5.572 -5.380 432 1HB SER 57 2HB SER 57 -1.122 -3.316 -3.512 433 2HB SER 57 1HB SER 57 0.518 -3.948 -3.585 434 HG SER 57 HG SER 57 0.754 -2.850 -5.347 435 H ASP 58 H ASP 58 -2.299 -6.188 -2.491 436 HA ASP 58 HA ASP 58 0.053 -7.339 -1.197 437 1HB ASP 58 2HB ASP 58 -1.718 -5.796 -0.104 438 2HB ASP 58 1HB ASP 58 -2.700 -7.254 -0.009 439 H PHE 59 H PHE 59 -0.679 -8.834 -3.442 440 HA PHE 59 HA PHE 59 -2.498 -10.892 -3.005 441 1HB PHE 59 2HB PHE 59 0.013 -10.809 -4.651 442 2HB PHE 59 1HB PHE 59 -0.921 -12.292 -4.504 443 HD1 PHE 59 HD1 PHE 59 -0.914 -8.866 -5.812 444 HD2 PHE 59 HD2 PHE 59 -3.047 -12.539 -5.567 445 HE1 PHE 59 HE1 PHE 59 -2.403 -8.124 -7.625 446 HE2 PHE 59 HE2 PHE 59 -4.539 -11.800 -7.378 447 HZ PHE 59 HZ PHE 59 -4.216 -9.589 -8.411 448 H ASP 60 H ASP 60 0.159 -10.234 -1.142 449 HA ASP 60 HA ASP 60 0.649 -13.034 -0.429 450 1HB ASP 60 2HB ASP 60 2.479 -12.071 0.941 451 2HB ASP 60 1HB ASP 60 2.593 -11.612 -0.759 452 H LYS 61 H LYS 61 -0.847 -10.112 0.714 453 HA LYS 61 HA LYS 61 -2.189 -9.668 2.495 454 1HB LYS 61 2HB LYS 61 -2.666 -12.395 1.846 455 2HB LYS 61 1HB LYS 61 -2.629 -12.275 3.601 456 1HG LYS 61 2HG LYS 61 -4.378 -10.689 1.731 457 2HG LYS 61 1HG LYS 61 -4.889 -11.992 2.806 458 1HD LYS 61 2HD LYS 61 -4.092 -10.614 4.729 459 2HD LYS 61 1HD LYS 61 -3.797 -9.296 3.595 460 1HE LYS 61 2HE LYS 61 -6.459 -10.626 4.080 461 2HE LYS 61 1HE LYS 61 -5.955 -9.076 4.751 462 1HZ LYS 61 1HZ LYS 61 -5.537 -8.735 2.110 463 2HZ LYS 61 2HZ LYS 61 -6.910 -8.232 2.953 464 3HZ LYS 61 3HZ LYS 61 -6.932 -9.697 2.120 465 H ASP 62 H ASP 62 0.502 -9.440 2.913 466 HA ASP 62 HA ASP 62 1.056 -10.640 5.537 467 1HB ASP 62 2HB ASP 62 3.333 -9.961 5.181 468 2HB ASP 62 1HB ASP 62 2.763 -10.672 3.671 469 H GLY 63 H GLY 63 -0.124 -7.807 4.127 470 1HA GLY 63 2HA GLY 63 -0.926 -5.909 5.226 471 2HA GLY 63 1HA GLY 63 -0.137 -6.462 6.699 472 H ALA 64 H ALA 64 1.829 -6.563 3.955 473 HA ALA 64 HA ALA 64 2.926 -3.879 4.397 474 1HB ALA 64 1HB ALA 64 5.136 -4.610 4.756 475 2HB ALA 64 2HB ALA 64 4.754 -6.267 4.288 476 3HB ALA 64 3HB ALA 64 4.145 -5.618 5.810 477 H LEU 65 H LEU 65 3.795 -2.953 2.522 478 HA LEU 65 HA LEU 65 3.289 -4.485 0.099 479 1HB LEU 65 2HB LEU 65 3.046 -1.729 0.839 480 2HB LEU 65 1HB LEU 65 4.090 -1.875 -0.561 481 HG LEU 65 HG LEU 65 2.385 -2.924 -1.841 482 1HD1 LEU 65 1HD1 LEU 65 1.328 -3.632 0.731 483 2HD1 LEU 65 2HD1 LEU 65 0.939 -4.290 -0.858 484 3HD1 LEU 65 3HD1 LEU 65 0.083 -2.869 -0.258 485 1HD2 LEU 65 1HD2 LEU 65 2.160 -0.562 -1.847 486 2HD2 LEU 65 2HD2 LEU 65 1.366 -0.572 -0.272 487 3HD2 LEU 65 3HD2 LEU 65 0.534 -1.227 -1.682 488 H THR 66 H THR 66 4.880 -5.480 -0.885 489 HA THR 66 HA THR 66 7.639 -4.792 -0.297 490 HB THR 66 HB THR 66 7.099 -7.162 -0.542 491 HG1 THR 66 HG1 THR 66 8.929 -7.577 -1.638 492 1HG2 THR 66 1HG2 THR 66 5.558 -6.291 -2.721 493 2HG2 THR 66 2HG2 THR 66 5.787 -7.950 -2.166 494 3HG2 THR 66 3HG2 THR 66 6.848 -7.279 -3.406 495 H LEU 67 H LEU 67 9.213 -4.272 -1.965 496 HA LEU 67 HA LEU 67 8.640 -2.109 -3.511 497 1HB LEU 67 2HB LEU 67 10.903 -3.269 -3.100 498 2HB LEU 67 1HB LEU 67 10.523 -4.240 -4.508 499 HG LEU 67 HG LEU 67 12.000 -2.402 -5.101 500 1HD1 LEU 67 1HD1 LEU 67 10.042 -3.227 -6.589 501 2HD1 LEU 67 2HD1 LEU 67 10.921 -1.765 -7.038 502 3HD1 LEU 67 3HD1 LEU 67 9.349 -1.640 -6.247 503 1HD2 LEU 67 1HD2 LEU 67 10.080 -0.877 -3.509 504 2HD2 LEU 67 2HD2 LEU 67 10.522 -0.109 -5.034 505 3HD2 LEU 67 3HD2 LEU 67 11.775 -0.546 -3.873 506 H ASP 68 H ASP 68 8.251 -5.501 -4.407 507 HA ASP 68 HA ASP 68 7.515 -5.215 -7.096 508 1HB ASP 68 2HB ASP 68 7.566 -7.239 -5.076 509 2HB ASP 68 1HB ASP 68 5.990 -7.281 -5.843 510 H GLU 69 H GLU 69 5.495 -5.548 -4.208 511 HA GLU 69 HA GLU 69 3.022 -5.080 -5.406 512 1HB GLU 69 2HB GLU 69 3.905 -4.509 -2.564 513 2HB GLU 69 1HB GLU 69 2.235 -4.608 -3.111 514 1HG GLU 69 2HG GLU 69 2.496 -6.941 -3.654 515 2HG GLU 69 1HG GLU 69 4.215 -6.870 -3.288 516 H PHE 70 H PHE 70 5.495 -2.924 -4.217 517 HA PHE 70 HA PHE 70 4.036 -0.504 -4.233 518 1HB PHE 70 2HB PHE 70 6.111 -0.425 -3.119 519 2HB PHE 70 1HB PHE 70 6.944 -1.236 -4.439 520 HD1 PHE 70 HD1 PHE 70 8.693 0.322 -4.656 521 HD2 PHE 70 HD2 PHE 70 4.647 1.591 -4.940 522 HE1 PHE 70 HE1 PHE 70 9.441 2.478 -5.567 523 HE2 PHE 70 HE2 PHE 70 5.382 3.754 -5.854 524 HZ PHE 70 HZ PHE 70 7.789 4.205 -6.151 525 H CYS 71 H CYS 71 6.302 -1.866 -6.602 526 HA CYS 71 HA CYS 71 6.027 -0.001 -8.635 527 1HB CYS 71 2HB CYS 71 6.950 -2.791 -8.394 528 2HB CYS 71 1HB CYS 71 6.438 -2.343 -10.011 529 HG CYS 71 HG CYS 71 8.496 -0.876 -10.634 530 H ALA 72 H ALA 72 4.256 -3.067 -8.215 531 HA ALA 72 HA ALA 72 2.530 -2.663 -10.423 532 1HB ALA 72 1HB ALA 72 1.871 -4.730 -9.927 533 2HB ALA 72 2HB ALA 72 1.308 -4.231 -8.331 534 3HB ALA 72 3HB ALA 72 2.995 -4.690 -8.568 535 H ALA 73 H ALA 73 2.267 -1.869 -6.987 536 HA ALA 73 HA ALA 73 -0.404 -1.042 -6.946 537 1HB ALA 73 1HB ALA 73 1.961 -0.632 -5.229 538 2HB ALA 73 2HB ALA 73 0.342 -1.196 -4.819 539 3HB ALA 73 3HB ALA 73 0.645 0.526 -5.043 540 H PHE 74 H PHE 74 2.523 1.012 -7.249 541 HA PHE 74 HA PHE 74 1.119 3.411 -7.601 542 1HB PHE 74 2HB PHE 74 3.668 2.969 -7.212 543 2HB PHE 74 1HB PHE 74 3.743 2.948 -8.972 544 HD1 PHE 74 HD1 PHE 74 3.799 4.975 -6.085 545 HD2 PHE 74 HD2 PHE 74 2.699 4.975 -10.192 546 HE1 PHE 74 HE1 PHE 74 3.872 7.434 -6.100 547 HE2 PHE 74 HE2 PHE 74 2.775 7.434 -10.218 548 HZ PHE 74 HZ PHE 74 3.363 8.666 -8.170 549 H HIS 75 H HIS 75 2.567 1.271 -10.074 550 HA HIS 75 HA HIS 75 1.721 2.688 -12.311 551 1HB HIS 75 2HB HIS 75 3.056 0.331 -11.859 552 2HB HIS 75 1HB HIS 75 1.562 -0.219 -12.591 553 HD1 HIS 75 HD1 HIS 75 0.966 1.419 -14.869 554 HD2 HIS 75 HD2 HIS 75 4.913 0.814 -13.734 555 HE1 HIS 75 HE1 HIS 75 2.371 1.911 -16.911 556 H LEU 76 H LEU 76 0.141 -0.082 -10.718 557 HA LEU 76 HA LEU 76 -2.163 -0.220 -12.238 558 1HB LEU 76 2HB LEU 76 -1.364 -1.698 -10.291 559 2HB LEU 76 1HB LEU 76 -2.183 -0.550 -9.248 560 HG LEU 76 HG LEU 76 -3.464 -2.190 -11.420 561 1HD1 LEU 76 1HD1 LEU 76 -3.765 -3.775 -9.901 562 2HD1 LEU 76 2HD1 LEU 76 -4.555 -2.623 -8.825 563 3HD1 LEU 76 3HD1 LEU 76 -2.806 -2.840 -8.753 564 1HD2 LEU 76 1HD2 LEU 76 -4.782 -0.371 -9.414 565 2HD2 LEU 76 2HD2 LEU 76 -5.564 -1.277 -10.710 566 3HD2 LEU 76 3HD2 LEU 76 -4.477 0.056 -11.097 567 H VAL 77 H VAL 77 -1.732 1.646 -9.206 568 HA VAL 77 HA VAL 77 -4.175 2.887 -9.087 569 HB VAL 77 HB VAL 77 -1.476 4.082 -8.432 570 1HG1 VAL 77 1HG1 VAL 77 -2.616 6.008 -8.267 571 2HG1 VAL 77 2HG1 VAL 77 -3.264 5.311 -6.782 572 3HG1 VAL 77 3HG1 VAL 77 -4.183 5.198 -8.284 573 1HG2 VAL 77 1HG2 VAL 77 -2.885 1.983 -7.248 574 2HG2 VAL 77 2HG2 VAL 77 -3.154 3.375 -6.197 575 3HG2 VAL 77 3HG2 VAL 77 -1.510 2.860 -6.575 576 H VAL 78 H VAL 78 -1.351 3.857 -10.989 577 HA VAL 78 HA VAL 78 -2.238 6.258 -12.036 578 HB VAL 78 HB VAL 78 -0.662 4.075 -13.400 579 1HG1 VAL 78 1HG1 VAL 78 -1.006 6.964 -14.199 580 2HG1 VAL 78 2HG1 VAL 78 -1.641 5.562 -15.061 581 3HG1 VAL 78 3HG1 VAL 78 0.101 5.816 -14.952 582 1HG2 VAL 78 1HG2 VAL 78 0.889 4.681 -11.911 583 2HG2 VAL 78 2HG2 VAL 78 -0.018 6.114 -11.427 584 3HG2 VAL 78 3HG2 VAL 78 1.030 6.172 -12.845 585 H ALA 79 H ALA 79 -2.948 2.968 -13.111 586 HA ALA 79 HA ALA 79 -4.352 3.590 -15.455 587 1HB ALA 79 1HB ALA 79 -3.832 1.272 -13.859 588 2HB ALA 79 2HB ALA 79 -4.214 1.385 -15.576 589 3HB ALA 79 3HB ALA 79 -5.515 1.274 -14.389 590 H ARG 80 H ARG 80 -5.423 3.437 -12.108 591 HA ARG 80 HA ARG 80 -8.136 3.316 -12.349 592 1HB ARG 80 2HB ARG 80 -6.495 3.771 -10.300 593 2HB ARG 80 1HB ARG 80 -7.083 5.414 -10.522 594 1HG ARG 80 2HG ARG 80 -8.515 4.473 -8.946 595 2HG ARG 80 1HG ARG 80 -9.420 4.392 -10.463 596 1HD ARG 80 2HD ARG 80 -8.518 2.037 -10.721 597 2HD ARG 80 1HD ARG 80 -7.951 2.172 -9.057 598 HE ARG 80 HE ARG 80 -10.508 1.473 -9.805 599 1HH1 ARG 80 2HH1 ARG 80 -9.018 3.818 -7.718 600 2HH1 ARG 80 1HH1 ARG 80 -10.376 3.875 -6.645 601 1HH2 ARG 80 1HH2 ARG 80 -12.245 1.600 -8.455 602 2HH2 ARG 80 2HH2 ARG 80 -12.210 2.654 -7.092 603 H LYS 81 H LYS 81 -6.097 6.179 -12.793 604 HA LYS 81 HA LYS 81 -7.841 8.220 -13.084 605 1HB LYS 81 2HB LYS 81 -5.448 8.495 -13.395 606 2HB LYS 81 1HB LYS 81 -5.505 7.574 -14.890 607 1HG LYS 81 2HG LYS 81 -7.055 10.118 -14.559 608 2HG LYS 81 1HG LYS 81 -5.362 10.112 -15.052 609 1HD LYS 81 2HD LYS 81 -7.429 8.467 -16.483 610 2HD LYS 81 1HD LYS 81 -7.124 10.153 -16.905 611 1HE LYS 81 2HE LYS 81 -5.046 7.965 -16.859 612 2HE LYS 81 1HE LYS 81 -5.845 8.572 -18.310 613 1HZ LYS 81 1HZ LYS 81 -4.660 10.640 -16.695 614 2HZ LYS 81 2HZ LYS 81 -4.531 10.365 -18.357 615 3HZ LYS 81 3HZ LYS 81 -3.528 9.526 -17.285 616 H ASN 82 H ASN 82 -7.394 5.569 -15.340 617 HA ASN 82 HA ASN 82 -9.820 6.447 -16.748 618 1HB ASN 82 2HB ASN 82 -8.821 5.747 -18.914 619 2HB ASN 82 1HB ASN 82 -8.019 7.144 -18.205 620 1HD2 ASN 82 1HD2 ASN 82 -7.683 3.979 -19.351 621 2HD2 ASN 82 2HD2 ASN 82 -6.012 3.766 -18.974 622 H GLY 83 H GLY 83 -9.820 4.593 -14.768 623 1HA GLY 83 2HA GLY 83 -10.835 2.298 -16.152 624 2HA GLY 83 1HA GLY 83 -9.318 1.956 -15.339 625 H TYR 84 H TYR 84 -12.373 3.651 -14.568 626 HA TYR 84 HA TYR 84 -12.275 3.224 -11.819 627 1HB TYR 84 2HB TYR 84 -14.708 3.400 -13.615 628 2HB TYR 84 1HB TYR 84 -14.755 3.495 -11.861 629 HD1 TYR 84 HD1 TYR 84 -13.181 5.176 -14.811 630 HD2 TYR 84 HD2 TYR 84 -14.648 5.564 -10.834 631 HE1 TYR 84 HE1 TYR 84 -12.824 7.605 -14.923 632 HE2 TYR 84 HE2 TYR 84 -14.298 7.995 -10.939 633 HH TYR 84 HH TYR 84 -12.954 9.544 -13.840 634 H ASP 85 H ASP 85 -13.668 1.241 -14.393 635 HA ASP 85 HA ASP 85 -14.649 -0.835 -12.724 636 1HB ASP 85 2HB ASP 85 -15.411 -0.375 -15.070 637 2HB ASP 85 1HB ASP 85 -13.876 -1.020 -15.643 638 H LEU 86 H LEU 86 -13.705 -2.684 -12.013 639 HA LEU 86 HA LEU 86 -11.245 -3.678 -13.092 640 1HB LEU 86 2HB LEU 86 -11.271 -2.249 -10.455 641 2HB LEU 86 1HB LEU 86 -10.106 -3.516 -10.781 642 HG LEU 86 HG LEU 86 -10.402 -1.040 -12.485 643 1HD1 LEU 86 1HD1 LEU 86 -9.231 0.101 -10.988 644 2HD1 LEU 86 2HD1 LEU 86 -7.960 -1.120 -11.032 645 3HD1 LEU 86 3HD1 LEU 86 -9.296 -1.280 -9.893 646 1HD2 LEU 86 1HD2 LEU 86 -9.414 -3.162 -13.472 647 2HD2 LEU 86 2HD2 LEU 86 -8.091 -2.959 -12.324 648 3HD2 LEU 86 3HD2 LEU 86 -8.400 -1.720 -13.540 649 HA PRO 87 HA PRO 87 -13.366 -7.197 -11.330 650 1HB PRO 87 2HB PRO 87 -11.901 -9.100 -12.539 651 2HB PRO 87 1HB PRO 87 -13.076 -8.124 -13.429 652 1HG PRO 87 2HG PRO 87 -10.102 -7.838 -13.284 653 2HG PRO 87 1HG PRO 87 -11.172 -7.698 -14.690 654 1HD PRO 87 2HD PRO 87 -10.179 -5.552 -13.300 655 2HD PRO 87 1HD PRO 87 -11.697 -5.518 -14.221 656 H GLU 88 H GLU 88 -13.051 -7.918 -9.316 657 HA GLU 88 HA GLU 88 -10.575 -7.705 -7.955 658 1HB GLU 88 2HB GLU 88 -11.775 -8.886 -6.116 659 2HB GLU 88 1HB GLU 88 -12.622 -7.472 -6.733 660 1HG GLU 88 2HG GLU 88 -14.040 -8.952 -8.092 661 2HG GLU 88 1HG GLU 88 -13.225 -10.347 -7.387 662 H LYS 89 H LYS 89 -8.961 -9.122 -7.622 663 HA LYS 89 HA LYS 89 -9.316 -11.820 -8.701 664 1HB LYS 89 2HB LYS 89 -6.981 -9.993 -8.610 665 2HB LYS 89 1HB LYS 89 -6.670 -11.720 -8.518 666 1HG LYS 89 2HG LYS 89 -8.281 -10.426 -10.707 667 2HG LYS 89 1HG LYS 89 -6.551 -10.745 -10.813 668 1HD LYS 89 2HD LYS 89 -7.756 -12.529 -11.913 669 2HD LYS 89 1HD LYS 89 -7.010 -13.152 -10.441 670 1HE LYS 89 2HE LYS 89 -9.130 -13.010 -9.271 671 2HE LYS 89 1HE LYS 89 -9.896 -12.301 -10.692 672 1HZ LYS 89 1HZ LYS 89 -8.924 -14.561 -11.713 673 2HZ LYS 89 2HZ LYS 89 -10.475 -14.428 -11.050 674 3HZ LYS 89 3HZ LYS 89 -9.213 -15.061 -10.120 675 H LEU 90 H LEU 90 -8.294 -10.103 -5.833 676 HA LEU 90 HA LEU 90 -7.053 -12.170 -4.442 677 1HB LEU 90 2HB LEU 90 -7.212 -9.741 -3.803 678 2HB LEU 90 1HB LEU 90 -8.834 -10.066 -3.225 679 HG LEU 90 HG LEU 90 -7.864 -11.714 -1.613 680 1HD1 LEU 90 1HD1 LEU 90 -5.600 -12.036 -1.355 681 2HD1 LEU 90 2HD1 LEU 90 -5.187 -10.483 -2.079 682 3HD1 LEU 90 3HD1 LEU 90 -5.696 -11.825 -3.104 683 1HD2 LEU 90 1HD2 LEU 90 -7.132 -10.033 -0.059 684 2HD2 LEU 90 2HD2 LEU 90 -8.415 -9.347 -1.056 685 3HD2 LEU 90 3HD2 LEU 90 -6.732 -8.928 -1.375 686 HA PRO 91 HA PRO 91 -10.651 -14.830 -3.978 687 1HB PRO 91 2HB PRO 91 -9.311 -17.034 -3.255 688 2HB PRO 91 1HB PRO 91 -9.266 -16.425 -4.914 689 1HG PRO 91 2HG PRO 91 -7.245 -16.119 -2.728 690 2HG PRO 91 1HG PRO 91 -6.989 -16.486 -4.444 691 1HD PRO 91 2HD PRO 91 -6.702 -13.986 -3.341 692 2HD PRO 91 1HD PRO 91 -7.085 -14.281 -5.048 693 H GLU 92 H GLU 92 -11.885 -14.366 -2.232 694 HA GLU 92 HA GLU 92 -11.196 -13.809 0.350 695 1HB GLU 92 2HB GLU 92 -13.623 -15.365 -0.553 696 2HB GLU 92 1HB GLU 92 -13.461 -14.533 0.987 697 1HG GLU 92 2HG GLU 92 -13.314 -12.401 -0.155 698 2HG GLU 92 1HG GLU 92 -13.393 -13.215 -1.716 699 H SER 93 H SER 93 -11.271 -16.955 -1.141 700 HA SER 93 HA SER 93 -10.996 -18.305 1.437 701 1HB SER 93 2HB SER 93 -12.534 -19.343 -0.091 702 2HB SER 93 1HB SER 93 -11.327 -19.363 -1.374 703 HG SER 93 HG SER 93 -10.509 -20.621 0.929 704 H LEU 94 H LEU 94 -9.052 -17.434 -1.337 705 HA LEU 94 HA LEU 94 -6.833 -18.958 -0.150 706 1HB LEU 94 2HB LEU 94 -7.412 -18.213 -2.992 707 2HB LEU 94 1HB LEU 94 -5.788 -18.629 -2.479 708 HG LEU 94 HG LEU 94 -8.220 -20.415 -2.336 709 1HD1 LEU 94 1HD1 LEU 94 -6.071 -20.006 -4.272 710 2HD1 LEU 94 2HD1 LEU 94 -7.643 -20.779 -4.469 711 3HD1 LEU 94 3HD1 LEU 94 -6.291 -21.687 -3.791 712 1HD2 LEU 94 1HD2 LEU 94 -6.193 -20.467 -0.550 713 2HD2 LEU 94 2HD2 LEU 94 -5.528 -21.500 -1.817 714 3HD2 LEU 94 3HD2 LEU 94 -7.077 -21.901 -1.074 715 H MET 95 H MET 95 -7.435 -16.490 0.953 716 HA MET 95 HA MET 95 -5.786 -14.450 -0.193 717 1HB MET 95 2HB MET 95 -7.240 -14.724 2.422 718 2HB MET 95 1HB MET 95 -6.164 -13.370 2.115 719 1HG MET 95 2HG MET 95 -7.524 -12.872 0.071 720 2HG MET 95 1HG MET 95 -8.664 -14.101 0.616 721 1HE MET 95 1HE MET 95 -9.605 -10.776 0.245 722 2HE MET 95 2HE MET 95 -10.835 -11.144 1.455 723 3HE MET 95 3HE MET 95 -10.377 -12.361 0.264 724 HA PRO 96 HA PRO 96 -2.756 -15.567 3.378 725 1HB PRO 96 2HB PRO 96 -3.216 -17.804 4.830 726 2HB PRO 96 1HB PRO 96 -3.899 -16.230 5.255 727 1HG PRO 96 2HG PRO 96 -5.183 -18.547 3.878 728 2HG PRO 96 1HG PRO 96 -5.858 -17.446 5.090 729 1HD PRO 96 2HD PRO 96 -6.350 -17.254 2.401 730 2HD PRO 96 1HD PRO 96 -6.430 -15.881 3.522 731 H LYS 97 HN LYS 97 -0.940 -17.107 3.594 732 HA LYS 97 HA LYS 97 -0.998 -19.260 1.585 733 1HB LYS 97 2HB LYS 97 1.363 -17.425 1.997 734 2HB LYS 97 1HB LYS 97 1.153 -18.641 0.743 735 1HG LYS 97 2HG LYS 97 -0.577 -16.202 1.027 736 2HG LYS 97 1HG LYS 97 0.834 -16.305 -0.029 737 1HD LYS 97 2HD LYS 97 -0.175 -18.003 -1.347 738 2HD LYS 97 1HD LYS 97 -1.488 -18.218 -0.186 739 1HE LYS 97 2HE LYS 97 -2.148 -16.921 -2.195 740 2HE LYS 97 1HE LYS 97 -2.354 -16.036 -0.685 741 1HZ LYS 97 1HZ LYS 97 -0.473 -15.571 -2.863 742 2HZ LYS 97 2HZ LYS 97 0.069 -15.246 -1.293 743 3HZ LYS 97 3HZ LYS 97 -1.308 -14.477 -1.889 Start of MODEL 11 1 1H TRP 6 1H TRP 6 3.550 -7.609 -15.966 2 2H TRP 6 2H TRP 6 2.194 -8.070 -15.061 3 3H TRP 6 3H TRP 6 3.229 -6.860 -14.483 4 HA TRP 6 HA TRP 6 1.175 -6.726 -16.557 5 1HB TRP 6 2HB TRP 6 1.592 -5.664 -14.007 6 2HB TRP 6 1HB TRP 6 1.876 -4.309 -15.096 7 HD1 TRP 6 HD1 TRP 6 -0.800 -7.121 -15.216 8 HE1 TRP 6 HE1 TRP 6 -3.106 -6.010 -15.440 9 HE3 TRP 6 HE3 TRP 6 0.633 -2.211 -15.060 10 HZ2 TRP 6 HZ2 TRP 6 -4.182 -3.411 -15.538 11 HZ3 TRP 6 HZ3 TRP 6 -1.102 -0.475 -15.227 12 HH2 TRP 6 HH2 TRP 6 -3.460 -1.065 -15.461 13 H LYS 7 H LYS 7 1.209 -4.520 -17.744 14 HA LYS 7 HA LYS 7 3.491 -4.465 -19.433 15 1HB LYS 7 2HB LYS 7 1.044 -2.744 -19.160 16 2HB LYS 7 1HB LYS 7 2.324 -2.323 -20.289 17 1HG LYS 7 2HG LYS 7 1.034 -5.029 -20.318 18 2HG LYS 7 1HG LYS 7 0.338 -3.653 -21.181 19 1HD LYS 7 2HD LYS 7 1.834 -3.831 -22.828 20 2HD LYS 7 1HD LYS 7 3.179 -3.911 -21.688 21 1HE LYS 7 2HE LYS 7 2.992 -5.924 -23.115 22 2HE LYS 7 1HE LYS 7 2.848 -6.279 -21.393 23 1HZ LYS 7 1HZ LYS 7 0.332 -6.051 -21.869 24 2HZ LYS 7 2HZ LYS 7 1.128 -7.482 -22.289 25 3HZ LYS 7 3HZ LYS 7 0.775 -6.332 -23.478 26 H ILE 8 H ILE 8 4.733 -4.122 -17.142 27 HA ILE 8 HA ILE 8 5.031 -1.330 -16.465 28 HB ILE 8 HB ILE 8 6.690 -3.653 -15.491 29 1HG1 ILE 8 2HG1 ILE 8 4.163 -2.468 -14.315 30 2HG1 ILE 8 1HG1 ILE 8 4.334 -4.083 -14.999 31 1HG2 ILE 8 1HG2 ILE 8 7.567 -2.245 -13.920 32 2HG2 ILE 8 2HG2 ILE 8 6.157 -1.187 -13.924 33 3HG2 ILE 8 3HG2 ILE 8 7.319 -1.109 -15.245 34 1HD1 ILE 8 1HD1 ILE 8 4.551 -3.449 -12.358 35 2HD1 ILE 8 2HD1 ILE 8 6.239 -3.510 -12.867 36 3HD1 ILE 8 3HD1 ILE 8 5.192 -4.908 -13.115 37 H THR 9 H THR 9 6.685 0.001 -17.024 38 HA THR 9 HA THR 9 8.793 -1.136 -18.757 39 HB THR 9 HB THR 9 7.867 1.733 -18.877 40 HG1 THR 9 HG1 THR 9 6.312 -0.129 -19.525 41 1HG2 THR 9 1HG2 THR 9 9.304 1.983 -20.613 42 2HG2 THR 9 2HG2 THR 9 9.073 0.328 -21.180 43 3HG2 THR 9 3HG2 THR 9 10.139 0.651 -19.813 44 H ASP 10 H ASP 10 10.885 -0.724 -18.200 45 HA ASP 10 HA ASP 10 11.636 -0.092 -15.667 46 1HB ASP 10 2HB ASP 10 13.096 -1.002 -17.515 47 2HB ASP 10 1HB ASP 10 13.302 0.657 -18.071 48 H GLU 11 H GLU 11 11.085 2.201 -18.307 49 HA GLU 11 HA GLU 11 12.107 4.500 -17.152 50 1HB GLU 11 2HB GLU 11 9.983 3.893 -19.142 51 2HB GLU 11 1HB GLU 11 10.047 5.514 -18.482 52 1HG GLU 11 2HG GLU 11 12.363 5.736 -19.226 53 2HG GLU 11 1HG GLU 11 12.301 4.099 -19.877 54 H GLN 12 H GLN 12 8.745 3.310 -17.036 55 HA GLN 12 HA GLN 12 7.876 5.248 -15.179 56 1HB GLN 12 2HB GLN 12 6.780 2.902 -16.490 57 2HB GLN 12 1HB GLN 12 6.245 3.025 -14.821 58 1HG GLN 12 2HG GLN 12 5.616 5.418 -15.340 59 2HG GLN 12 1HG GLN 12 5.881 5.014 -17.036 60 1HE2 GLN 12 1HE2 GLN 12 4.014 4.742 -17.994 61 2HE2 GLN 12 2HE2 GLN 12 2.652 3.894 -17.357 62 H ARG 13 H ARG 13 8.937 1.874 -14.808 63 HA ARG 13 HA ARG 13 8.521 1.517 -12.115 64 1HB ARG 13 2HB ARG 13 9.562 -0.100 -13.823 65 2HB ARG 13 1HB ARG 13 11.095 0.674 -13.445 66 1HG ARG 13 2HG ARG 13 10.782 0.061 -11.075 67 2HG ARG 13 1HG ARG 13 9.306 -0.795 -11.522 68 1HD ARG 13 2HD ARG 13 10.754 -2.112 -13.150 69 2HD ARG 13 1HD ARG 13 12.140 -1.426 -12.303 70 HE ARG 13 HE ARG 13 10.364 -2.601 -10.454 71 1HH1 ARG 13 2HH1 ARG 13 12.671 -3.422 -12.886 72 2HH1 ARG 13 1HH1 ARG 13 13.040 -4.961 -12.193 73 1HH2 ARG 13 1HH2 ARG 13 10.827 -4.622 -9.551 74 2HH2 ARG 13 2HH2 ARG 13 12.005 -5.637 -10.307 75 H GLN 14 H GLN 14 11.402 2.925 -13.670 76 HA GLN 14 HA GLN 14 12.670 3.712 -11.270 77 1HB GLN 14 2HB GLN 14 13.172 3.797 -14.061 78 2HB GLN 14 1HB GLN 14 13.348 5.427 -13.448 79 1HG GLN 14 2HG GLN 14 14.876 4.470 -11.685 80 2HG GLN 14 1HG GLN 14 14.834 2.965 -12.603 81 1HE2 GLN 14 1HE2 GLN 14 15.930 2.814 -14.511 82 2HE2 GLN 14 2HE2 GLN 14 17.020 4.035 -15.070 83 H TYR 15 H TYR 15 10.549 5.353 -13.572 84 HA TYR 15 HA TYR 15 10.624 7.945 -12.752 85 1HB TYR 15 2HB TYR 15 9.193 7.255 -14.569 86 2HB TYR 15 1HB TYR 15 8.199 6.291 -13.481 87 HD1 TYR 15 HD1 TYR 15 9.448 9.819 -13.472 88 HD2 TYR 15 HD2 TYR 15 6.108 7.200 -13.185 89 HE1 TYR 15 HE1 TYR 15 7.970 11.751 -13.117 90 HE2 TYR 15 HE2 TYR 15 4.621 9.125 -12.831 91 HH TYR 15 HH TYR 15 4.518 11.451 -13.143 92 H TYR 16 H TYR 16 8.570 5.416 -11.314 93 HA TYR 16 HA TYR 16 7.659 7.127 -9.211 94 1HB TYR 16 2HB TYR 16 7.537 4.108 -9.307 95 2HB TYR 16 1HB TYR 16 6.534 5.184 -8.339 96 HD1 TYR 16 HD1 TYR 16 6.956 3.590 -11.550 97 HD2 TYR 16 HD2 TYR 16 4.897 6.693 -9.496 98 HE1 TYR 16 HE1 TYR 16 5.321 3.707 -13.383 99 HE2 TYR 16 HE2 TYR 16 3.253 6.814 -11.323 100 HH TYR 16 HH TYR 16 3.242 4.490 -13.948 101 H VAL 17 H VAL 17 9.982 4.435 -9.347 102 HA VAL 17 HA VAL 17 10.679 4.249 -6.696 103 HB VAL 17 HB VAL 17 12.574 4.120 -9.047 104 1HG1 VAL 17 1HG1 VAL 17 13.119 2.514 -6.649 105 2HG1 VAL 17 2HG1 VAL 17 13.297 4.255 -6.432 106 3HG1 VAL 17 3HG1 VAL 17 14.220 3.423 -7.682 107 1HG2 VAL 17 1HG2 VAL 17 10.403 2.526 -8.546 108 2HG2 VAL 17 2HG2 VAL 17 11.717 1.632 -7.782 109 3HG2 VAL 17 3HG2 VAL 17 11.819 2.059 -9.489 110 H ASN 18 H ASN 18 11.710 6.669 -9.045 111 HA ASN 18 HA ASN 18 13.750 7.928 -7.726 112 1HB ASN 18 2HB ASN 18 11.677 8.744 -9.663 113 2HB ASN 18 1HB ASN 18 12.464 10.047 -8.792 114 1HD2 ASN 18 1HD2 ASN 18 12.584 8.286 -11.513 115 2HD2 ASN 18 2HD2 ASN 18 14.265 8.425 -11.893 116 H GLN 19 H GLN 19 10.270 8.312 -7.150 117 HA GLN 19 HA GLN 19 10.817 10.257 -5.045 118 1HB GLN 19 2HB GLN 19 8.235 9.198 -6.194 119 2HB GLN 19 1HB GLN 19 8.316 10.350 -4.867 120 1HG GLN 19 2HG GLN 19 9.414 10.798 -7.636 121 2HG GLN 19 1HG GLN 19 7.897 11.442 -7.012 122 1HE2 GLN 19 1HE2 GLN 19 9.694 11.546 -4.378 123 2HE2 GLN 19 2HE2 GLN 19 10.435 13.095 -4.538 124 H PHE 20 H PHE 20 9.289 7.064 -5.376 125 HA PHE 20 HA PHE 20 8.743 6.772 -2.618 126 1HB PHE 20 2HB PHE 20 8.417 5.205 -4.997 127 2HB PHE 20 1HB PHE 20 8.970 4.197 -3.663 128 HD1 PHE 20 HD1 PHE 20 7.287 3.178 -2.489 129 HD2 PHE 20 HD2 PHE 20 6.629 7.059 -4.099 130 HE1 PHE 20 HE1 PHE 20 5.013 3.180 -1.550 131 HE2 PHE 20 HE2 PHE 20 4.356 7.069 -3.165 132 HZ PHE 20 HZ PHE 20 3.552 5.130 -1.888 133 H LYS 21 H LYS 21 11.643 6.251 -4.439 134 HA LYS 21 HA LYS 21 13.006 4.318 -3.137 135 1HB LYS 21 2HB LYS 21 15.087 5.645 -3.508 136 2HB LYS 21 1HB LYS 21 14.058 5.486 -4.925 137 1HG LYS 21 2HG LYS 21 13.355 7.709 -4.807 138 2HG LYS 21 1HG LYS 21 13.921 7.892 -3.145 139 1HD LYS 21 2HD LYS 21 16.175 7.952 -3.805 140 2HD LYS 21 1HD LYS 21 15.813 7.302 -5.405 141 1HE LYS 21 2HE LYS 21 14.728 9.342 -6.047 142 2HE LYS 21 1HE LYS 21 14.872 9.987 -4.413 143 1HZ LYS 21 1HZ LYS 21 17.418 9.476 -4.962 144 2HZ LYS 21 2HZ LYS 21 16.678 10.960 -5.301 145 3HZ LYS 21 3HZ LYS 21 16.856 9.806 -6.525 146 H THR 22 H THR 22 12.537 7.628 -1.880 147 HA THR 22 HA THR 22 14.219 7.607 0.281 148 HB THR 22 HB THR 22 11.366 8.623 0.246 149 HG1 THR 22 HG1 THR 22 12.884 10.652 0.179 150 1HG2 THR 22 1HG2 THR 22 12.005 8.379 2.545 151 2HG2 THR 22 2HG2 THR 22 12.139 10.088 2.128 152 3HG2 THR 22 3HG2 THR 22 13.588 9.089 2.234 153 H ILE 23 H ILE 23 11.240 5.846 -0.146 154 HA ILE 23 HA ILE 23 11.591 4.572 2.489 155 HB ILE 23 HB ILE 23 9.127 4.655 0.741 156 1HG1 ILE 23 2HG1 ILE 23 9.753 6.046 3.354 157 2HG1 ILE 23 1HG1 ILE 23 9.615 6.821 1.780 158 1HG2 ILE 23 1HG2 ILE 23 9.779 3.253 3.294 159 2HG2 ILE 23 2HG2 ILE 23 8.905 2.665 1.880 160 3HG2 ILE 23 3HG2 ILE 23 8.128 3.793 2.989 161 1HD1 ILE 23 1HD1 ILE 23 7.630 7.086 3.245 162 2HD1 ILE 23 2HD1 ILE 23 7.371 5.345 3.126 163 3HD1 ILE 23 3HD1 ILE 23 7.281 6.352 1.680 164 H GLN 24 H GLN 24 10.649 3.836 -0.869 165 HA GLN 24 HA GLN 24 11.549 1.071 -0.473 166 1HB GLN 24 2HB GLN 24 9.178 2.084 -1.498 167 2HB GLN 24 1HB GLN 24 10.086 1.591 -2.919 168 1HG GLN 24 2HG GLN 24 8.734 -0.242 -2.248 169 2HG GLN 24 1HG GLN 24 10.404 -0.639 -1.845 170 1HE2 GLN 24 1HE2 GLN 24 10.855 0.533 0.512 171 2HE2 GLN 24 2HE2 GLN 24 9.761 -0.037 1.713 172 HA PRO 25 HA PRO 25 14.760 2.966 -3.217 173 1HB PRO 25 2HB PRO 25 16.856 1.665 -2.102 174 2HB PRO 25 1HB PRO 25 16.201 3.166 -1.441 175 1HG PRO 25 2HG PRO 25 15.716 0.342 -0.568 176 2HG PRO 25 1HG PRO 25 16.020 1.780 0.423 177 1HD PRO 25 2HD PRO 25 13.536 0.771 0.023 178 2HD PRO 25 1HD PRO 25 13.838 2.505 0.261 179 H ASP 26 H ASP 26 14.962 -0.419 -2.073 180 HA ASP 26 HA ASP 26 14.791 -1.387 -4.805 181 1HB ASP 26 2HB ASP 26 17.252 -0.883 -4.021 182 2HB ASP 26 1HB ASP 26 17.065 -2.372 -3.110 183 H LEU 27 H LEU 27 15.519 -4.062 -4.231 184 HA LEU 27 HA LEU 27 13.187 -4.953 -2.834 185 1HB LEU 27 2HB LEU 27 15.510 -6.392 -4.084 186 2HB LEU 27 1HB LEU 27 14.252 -7.246 -3.210 187 HG LEU 27 HG LEU 27 12.573 -6.317 -4.792 188 1HD1 LEU 27 1HD1 LEU 27 14.752 -5.543 -6.660 189 2HD1 LEU 27 2HD1 LEU 27 14.269 -4.399 -5.409 190 3HD1 LEU 27 3HD1 LEU 27 13.082 -4.984 -6.575 191 1HD2 LEU 27 1HD2 LEU 27 14.838 -7.933 -5.946 192 2HD2 LEU 27 2HD2 LEU 27 13.281 -7.702 -6.743 193 3HD2 LEU 27 3HD2 LEU 27 13.362 -8.534 -5.190 194 H ASN 28 H ASN 28 14.684 -3.427 -1.144 195 HA ASN 28 HA ASN 28 15.379 -5.357 0.952 196 1HB ASN 28 2HB ASN 28 17.440 -4.477 -0.214 197 2HB ASN 28 1HB ASN 28 17.000 -2.875 0.349 198 1HD2 ASN 28 1HD2 ASN 28 16.027 -4.463 2.893 199 2HD2 ASN 28 2HD2 ASN 28 17.496 -4.609 3.784 200 H GLY 29 H GLY 29 13.223 -3.310 0.097 201 1HA GLY 29 2HA GLY 29 12.823 -2.222 2.791 202 2HA GLY 29 1HA GLY 29 12.746 -1.120 1.424 203 H PHE 30 H PHE 30 10.684 -2.100 3.427 204 HA PHE 30 HA PHE 30 8.626 -2.787 1.423 205 1HB PHE 30 2HB PHE 30 8.724 -4.064 4.158 206 2HB PHE 30 1HB PHE 30 7.698 -4.498 2.795 207 HD1 PHE 30 HD1 PHE 30 9.064 -5.160 0.610 208 HD2 PHE 30 HD2 PHE 30 10.535 -5.386 4.595 209 HE1 PHE 30 HE1 PHE 30 10.722 -6.833 -0.101 210 HE2 PHE 30 HE2 PHE 30 12.198 -7.058 3.893 211 HZ PHE 30 HZ PHE 30 12.291 -7.785 1.542 212 H ILE 31 H ILE 31 6.744 -1.687 1.676 213 HA ILE 31 HA ILE 31 6.599 0.226 3.891 214 HB ILE 31 HB ILE 31 5.280 0.082 1.203 215 1HG1 ILE 31 2HG1 ILE 31 6.568 2.449 2.536 216 2HG1 ILE 31 1HG1 ILE 31 7.545 1.217 1.736 217 1HG2 ILE 31 1HG2 ILE 31 3.467 0.568 2.719 218 2HG2 ILE 31 2HG2 ILE 31 3.908 2.034 1.842 219 3HG2 ILE 31 3HG2 ILE 31 4.424 1.818 3.515 220 1HD1 ILE 31 1HD1 ILE 31 7.132 3.106 0.267 221 2HD1 ILE 31 2HD1 ILE 31 5.392 2.881 0.446 222 3HD1 ILE 31 3HD1 ILE 31 6.361 1.648 -0.361 223 HA PRO 32 HA PRO 32 3.566 -2.490 5.800 224 1HB PRO 32 2HB PRO 32 3.202 -0.920 8.002 225 2HB PRO 32 1HB PRO 32 4.556 -2.041 7.824 226 1HG PRO 32 2HG PRO 32 4.473 0.916 7.391 227 2HG PRO 32 1HG PRO 32 5.729 -0.070 8.162 228 1HD PRO 32 2HD PRO 32 5.944 0.842 5.620 229 2HD PRO 32 1HD PRO 32 6.649 -0.701 6.145 230 H GLY 33 H GLY 33 1.294 -2.365 6.127 231 1HA GLY 33 2HA GLY 33 -0.066 -0.530 4.474 232 2HA GLY 33 1HA GLY 33 -0.822 -1.618 5.619 233 H SER 34 H SER 34 1.453 0.928 6.534 234 HA SER 34 HA SER 34 -0.757 2.265 7.941 235 1HB SER 34 2HB SER 34 0.921 1.451 9.488 236 2HB SER 34 1HB SER 34 2.204 2.242 8.574 237 HG SER 34 HG SER 34 0.406 3.304 10.380 238 H ALA 35 H ALA 35 2.396 3.099 6.466 239 HA ALA 35 HA ALA 35 1.621 5.832 6.091 240 1HB ALA 35 1HB ALA 35 3.870 5.794 6.348 241 2HB ALA 35 2HB ALA 35 3.831 5.631 4.592 242 3HB ALA 35 3HB ALA 35 4.039 4.204 5.608 243 H ALA 36 H ALA 36 1.625 2.939 4.108 244 HA ALA 36 HA ALA 36 1.630 3.865 1.559 245 1HB ALA 36 1HB ALA 36 0.342 1.604 2.913 246 2HB ALA 36 2HB ALA 36 1.325 1.646 1.448 247 3HB ALA 36 3HB ALA 36 -0.388 2.058 1.373 248 H LYS 37 H LYS 37 -1.315 3.678 3.580 249 HA LYS 37 HA LYS 37 -2.986 4.938 1.706 250 1HB LYS 37 2HB LYS 37 -3.241 3.835 4.290 251 2HB LYS 37 1HB LYS 37 -3.870 5.474 4.382 252 1HG LYS 37 2HG LYS 37 -5.620 5.033 3.011 253 2HG LYS 37 1HG LYS 37 -4.730 3.834 2.077 254 1HD LYS 37 2HD LYS 37 -5.474 3.275 4.916 255 2HD LYS 37 1HD LYS 37 -6.667 3.067 3.630 256 1HE LYS 37 2HE LYS 37 -4.876 1.654 2.465 257 2HE LYS 37 1HE LYS 37 -4.051 1.645 4.021 258 1HZ LYS 37 1HZ LYS 37 -5.295 -0.244 4.188 259 2HZ LYS 37 2HZ LYS 37 -6.564 0.350 3.240 260 3HZ LYS 37 3HZ LYS 37 -6.399 0.860 4.846 261 H GLU 38 H GLU 38 -1.150 6.272 4.441 262 HA GLU 38 HA GLU 38 -2.048 8.918 4.233 263 1HB GLU 38 2HB GLU 38 -0.068 7.487 5.673 264 2HB GLU 38 1HB GLU 38 0.730 8.867 4.933 265 1HG GLU 38 2HG GLU 38 -0.893 10.365 5.959 266 2HG GLU 38 1HG GLU 38 -1.711 8.984 6.691 267 H PHE 39 H PHE 39 0.820 7.373 2.816 268 HA PHE 39 HA PHE 39 1.827 9.514 1.385 269 1HB PHE 39 2HB PHE 39 2.356 6.785 1.681 270 2HB PHE 39 1HB PHE 39 2.083 7.009 -0.039 271 HD1 PHE 39 HD1 PHE 39 3.851 8.765 2.732 272 HD2 PHE 39 HD2 PHE 39 3.945 7.431 -1.304 273 HE1 PHE 39 HE1 PHE 39 6.131 9.654 2.499 274 HE2 PHE 39 HE2 PHE 39 6.228 8.313 -1.547 275 HZ PHE 39 HZ PHE 39 7.325 9.428 0.356 276 H PHE 40 H PHE 40 -0.322 6.906 0.240 277 HA PHE 40 HA PHE 40 -0.791 7.925 -2.322 278 1HB PHE 40 2HB PHE 40 -2.336 6.109 -0.503 279 2HB PHE 40 1HB PHE 40 -3.039 6.635 -2.026 280 HD1 PHE 40 HD1 PHE 40 -3.104 4.650 -3.227 281 HD2 PHE 40 HD2 PHE 40 0.524 5.861 -1.366 282 HE1 PHE 40 HE1 PHE 40 -1.906 2.863 -4.415 283 HE2 PHE 40 HE2 PHE 40 1.733 4.074 -2.550 284 HZ PHE 40 HZ PHE 40 0.516 2.571 -4.078 285 H THR 41 H THR 41 -2.157 8.794 0.759 286 HA THR 41 HA THR 41 -4.525 9.988 0.192 287 HB THR 41 HB THR 41 -2.360 11.110 1.970 288 HG1 THR 41 HG1 THR 41 -3.615 8.905 2.231 289 1HG2 THR 41 1HG2 THR 41 -3.822 12.640 2.834 290 2HG2 THR 41 2HG2 THR 41 -5.241 11.675 2.425 291 3HG2 THR 41 3HG2 THR 41 -4.407 12.593 1.172 292 H LYS 42 H LYS 42 -1.341 11.252 -0.622 293 HA LYS 42 HA LYS 42 -1.893 13.869 -1.249 294 1HB LYS 42 2HB LYS 42 -0.148 11.999 -2.867 295 2HB LYS 42 1HB LYS 42 -0.069 13.756 -2.881 296 1HG LYS 42 2HG LYS 42 0.548 13.718 -0.492 297 2HG LYS 42 1HG LYS 42 0.550 11.956 -0.550 298 1HD LYS 42 2HD LYS 42 2.396 11.892 -1.998 299 2HD LYS 42 1HD LYS 42 2.233 13.598 -2.420 300 1HE LYS 42 2HE LYS 42 2.845 14.203 -0.112 301 2HE LYS 42 1HE LYS 42 3.051 12.493 0.268 302 1HZ LYS 42 1HZ LYS 42 5.159 12.813 -0.335 303 2HZ LYS 42 2HZ LYS 42 4.829 14.290 -1.093 304 3HZ LYS 42 3HZ LYS 42 4.598 12.839 -1.932 305 H SER 43 H SER 43 -2.585 11.004 -3.134 306 HA SER 43 HA SER 43 -3.337 12.161 -5.560 307 1HB SER 43 2HB SER 43 -4.460 10.070 -6.023 308 2HB SER 43 1HB SER 43 -2.971 9.726 -5.139 309 HG SER 43 HG SER 43 -4.201 9.497 -3.247 310 H LYS 44 H LYS 44 -4.993 12.160 -2.537 311 HA LYS 44 HA LYS 44 -6.995 13.033 -1.880 312 1HB LYS 44 2HB LYS 44 -6.195 14.848 -3.561 313 2HB LYS 44 1HB LYS 44 -7.390 14.151 -4.644 314 1HG LYS 44 2HG LYS 44 -8.283 14.873 -1.915 315 2HG LYS 44 1HG LYS 44 -7.937 16.186 -3.040 316 1HD LYS 44 2HD LYS 44 -9.478 15.125 -4.671 317 2HD LYS 44 1HD LYS 44 -9.874 13.913 -3.454 318 1HE LYS 44 2HE LYS 44 -10.815 15.558 -2.009 319 2HE LYS 44 1HE LYS 44 -10.222 16.870 -3.026 320 1HZ LYS 44 1HZ LYS 44 -12.567 16.491 -3.391 321 2HZ LYS 44 2HZ LYS 44 -12.284 14.872 -3.792 322 3HZ LYS 44 3HZ LYS 44 -11.700 16.107 -4.792 323 H LEU 45 H LEU 45 -6.603 10.501 -3.494 324 HA LEU 45 HA LEU 45 -9.077 10.026 -4.858 325 1HB LEU 45 2HB LEU 45 -6.632 8.493 -4.243 326 2HB LEU 45 1HB LEU 45 -8.094 7.545 -4.432 327 HG LEU 45 HG LEU 45 -8.418 8.444 -6.677 328 1HD1 LEU 45 1HD1 LEU 45 -7.350 10.660 -6.184 329 2HD1 LEU 45 2HD1 LEU 45 -6.892 9.930 -7.723 330 3HD1 LEU 45 3HD1 LEU 45 -5.789 9.861 -6.353 331 1HD2 LEU 45 1HD2 LEU 45 -6.389 7.459 -7.738 332 2HD2 LEU 45 2HD2 LEU 45 -7.140 6.429 -6.521 333 3HD2 LEU 45 3HD2 LEU 45 -5.675 7.329 -6.130 334 HA PRO 46 HA PRO 46 -11.630 8.598 -1.581 335 1HB PRO 46 2HB PRO 46 -13.076 6.651 -2.761 336 2HB PRO 46 1HB PRO 46 -13.261 8.358 -3.182 337 1HG PRO 46 2HG PRO 46 -11.722 6.219 -4.594 338 2HG PRO 46 1HG PRO 46 -12.779 7.465 -5.277 339 1HD PRO 46 2HD PRO 46 -10.066 7.668 -5.248 340 2HD PRO 46 1HD PRO 46 -11.143 9.078 -5.182 341 H ILE 47 H ILE 47 -11.442 7.324 0.151 342 HA ILE 47 HA ILE 47 -9.466 5.475 0.589 343 HB ILE 47 HB ILE 47 -12.198 5.440 1.886 344 1HG1 ILE 47 2HG1 ILE 47 -9.695 6.959 2.646 345 2HG1 ILE 47 1HG1 ILE 47 -11.171 7.664 1.992 346 1HG2 ILE 47 1HG2 ILE 47 -9.915 3.782 2.219 347 2HG2 ILE 47 2HG2 ILE 47 -11.445 3.749 3.096 348 3HG2 ILE 47 3HG2 ILE 47 -10.118 4.757 3.674 349 1HD1 ILE 47 1HD1 ILE 47 -11.787 6.099 4.305 350 2HD1 ILE 47 2HD1 ILE 47 -12.041 7.819 4.013 351 3HD1 ILE 47 3HD1 ILE 47 -10.508 7.255 4.674 352 H LEU 48 H LEU 48 -12.754 4.856 -0.582 353 HA LEU 48 HA LEU 48 -12.898 2.118 -0.450 354 1HB LEU 48 2HB LEU 48 -14.708 3.533 -1.285 355 2HB LEU 48 1HB LEU 48 -13.770 3.914 -2.716 356 HG LEU 48 HG LEU 48 -13.878 1.539 -3.394 357 1HD1 LEU 48 1HD1 LEU 48 -14.554 -0.059 -2.012 358 2HD1 LEU 48 2HD1 LEU 48 -16.080 0.775 -1.718 359 3HD1 LEU 48 3HD1 LEU 48 -14.665 1.154 -0.736 360 1HD2 LEU 48 1HD2 LEU 48 -15.517 3.228 -4.177 361 2HD2 LEU 48 2HD2 LEU 48 -16.590 2.743 -2.863 362 3HD2 LEU 48 3HD2 LEU 48 -16.168 1.589 -4.128 363 H GLU 49 H GLU 49 -11.546 4.053 -3.086 364 HA GLU 49 HA GLU 49 -10.525 1.882 -4.586 365 1HB GLU 49 2HB GLU 49 -9.490 4.725 -4.574 366 2HB GLU 49 1HB GLU 49 -9.363 3.549 -5.874 367 1HG GLU 49 2HG GLU 49 -12.030 4.484 -4.894 368 2HG GLU 49 1HG GLU 49 -11.108 5.410 -6.074 369 H LEU 50 H LEU 50 -8.990 4.184 -2.339 370 HA LEU 50 HA LEU 50 -6.381 3.279 -2.414 371 1HB LEU 50 2HB LEU 50 -8.049 4.675 -0.413 372 2HB LEU 50 1HB LEU 50 -6.615 3.897 0.220 373 HG LEU 50 HG LEU 50 -5.256 5.174 -1.447 374 1HD1 LEU 50 1HD1 LEU 50 -7.823 5.774 -2.490 375 2HD1 LEU 50 2HD1 LEU 50 -6.240 6.238 -3.115 376 3HD1 LEU 50 3HD1 LEU 50 -7.074 7.281 -1.964 377 1HD2 LEU 50 1HD2 LEU 50 -6.866 6.504 0.691 378 2HD2 LEU 50 2HD2 LEU 50 -5.766 7.460 -0.302 379 3HD2 LEU 50 3HD2 LEU 50 -5.146 6.117 0.657 380 H SER 51 H SER 51 -9.043 1.991 -0.443 381 HA SER 51 HA SER 51 -7.465 0.109 0.966 382 1HB SER 51 2HB SER 51 -9.724 0.871 1.700 383 2HB SER 51 1HB SER 51 -10.430 -0.056 0.377 384 HG SER 51 HG SER 51 -10.457 -1.573 1.854 385 H HIS 52 H HIS 52 -9.721 -0.367 -1.785 386 HA HIS 52 HA HIS 52 -9.281 -3.064 -2.188 387 1HB HIS 52 2HB HIS 52 -10.976 -1.749 -3.405 388 2HB HIS 52 1HB HIS 52 -9.699 -0.977 -4.341 389 HD1 HIS 52 HD1 HIS 52 -10.809 -4.583 -3.666 390 HD2 HIS 52 HD2 HIS 52 -9.350 -2.156 -6.706 391 HE1 HIS 52 HE1 HIS 52 -10.685 -6.027 -5.739 392 H ILE 53 H ILE 53 -7.368 -0.324 -3.365 393 HA ILE 53 HA ILE 53 -5.598 -1.640 -5.040 394 HB ILE 53 HB ILE 53 -4.963 0.621 -3.134 395 1HG1 ILE 53 2HG1 ILE 53 -5.828 0.637 -6.030 396 2HG1 ILE 53 1HG1 ILE 53 -6.789 1.167 -4.656 397 1HG2 ILE 53 1HG2 ILE 53 -2.916 -0.382 -3.876 398 2HG2 ILE 53 2HG2 ILE 53 -3.144 1.139 -4.740 399 3HG2 ILE 53 3HG2 ILE 53 -3.476 -0.394 -5.547 400 1HD1 ILE 53 1HD1 ILE 53 -4.380 2.606 -4.548 401 2HD1 ILE 53 2HD1 ILE 53 -5.992 3.205 -4.936 402 3HD1 ILE 53 3HD1 ILE 53 -4.928 2.641 -6.224 403 H TRP 54 H TRP 54 -5.242 -1.110 -1.514 404 HA TRP 54 HA TRP 54 -2.799 -2.376 -1.194 405 1HB TRP 54 2HB TRP 54 -3.886 -1.137 0.616 406 2HB TRP 54 1HB TRP 54 -5.098 -2.411 0.761 407 HD1 TRP 54 HD1 TRP 54 -4.394 -4.644 1.979 408 HE1 TRP 54 HE1 TRP 54 -2.350 -5.305 3.388 409 HE3 TRP 54 HE3 TRP 54 -1.334 -0.705 0.872 410 HZ2 TRP 54 HZ2 TRP 54 0.209 -4.290 3.967 411 HZ3 TRP 54 HZ3 TRP 54 0.899 -0.622 1.900 412 HH2 TRP 54 HH2 TRP 54 1.654 -2.378 3.419 413 H GLU 55 H GLU 55 -6.020 -3.899 -0.773 414 HA GLU 55 HA GLU 55 -5.123 -6.458 -0.223 415 1HB GLU 55 2HB GLU 55 -7.544 -5.739 -1.882 416 2HB GLU 55 1HB GLU 55 -7.246 -7.296 -1.120 417 1HG GLU 55 2HG GLU 55 -7.109 -5.923 1.066 418 2HG GLU 55 1HG GLU 55 -7.957 -4.687 0.135 419 H LEU 56 H LEU 56 -5.935 -5.137 -3.442 420 HA LEU 56 HA LEU 56 -5.035 -7.378 -4.878 421 1HB LEU 56 2HB LEU 56 -5.712 -4.584 -5.497 422 2HB LEU 56 1HB LEU 56 -4.498 -5.265 -6.564 423 HG LEU 56 HG LEU 56 -6.800 -5.477 -7.443 424 1HD1 LEU 56 1HD1 LEU 56 -5.352 -7.019 -8.378 425 2HD1 LEU 56 2HD1 LEU 56 -6.637 -8.046 -7.745 426 3HD1 LEU 56 3HD1 LEU 56 -5.122 -7.881 -6.859 427 1HD2 LEU 56 1HD2 LEU 56 -8.334 -5.876 -5.844 428 2HD2 LEU 56 2HD2 LEU 56 -7.194 -6.737 -4.812 429 3HD2 LEU 56 3HD2 LEU 56 -7.946 -7.564 -6.176 430 H SER 57 H SER 57 -3.379 -4.722 -3.397 431 HA SER 57 HA SER 57 -0.888 -5.095 -4.746 432 1HB SER 57 2HB SER 57 -1.647 -3.577 -2.252 433 2HB SER 57 1HB SER 57 -0.022 -3.585 -2.920 434 HG SER 57 HG SER 57 -2.381 -2.659 -4.186 435 H ASP 58 H ASP 58 -2.291 -6.337 -1.750 436 HA ASP 58 HA ASP 58 0.292 -7.552 -1.056 437 1HB ASP 58 2HB ASP 58 -1.492 -6.312 0.537 438 2HB ASP 58 1HB ASP 58 -2.043 -7.973 0.714 439 H PHE 59 H PHE 59 -0.269 -8.885 -3.160 440 HA PHE 59 HA PHE 59 -2.159 -10.944 -3.107 441 1HB PHE 59 2HB PHE 59 0.280 -10.378 -4.636 442 2HB PHE 59 1HB PHE 59 -0.096 -12.095 -4.496 443 HD1 PHE 59 HD1 PHE 59 -1.465 -13.022 -6.073 444 HD2 PHE 59 HD2 PHE 59 -1.821 -8.867 -5.240 445 HE1 PHE 59 HE1 PHE 59 -3.138 -12.813 -7.864 446 HE2 PHE 59 HE2 PHE 59 -3.497 -8.648 -7.029 447 HZ PHE 59 HZ PHE 59 -4.157 -10.623 -8.344 448 H ASP 60 H ASP 60 0.468 -10.494 -1.125 449 HA ASP 60 HA ASP 60 0.821 -13.327 -0.505 450 1HB ASP 60 2HB ASP 60 2.546 -12.186 1.123 451 2HB ASP 60 1HB ASP 60 2.894 -12.306 -0.604 452 H LYS 61 H LYS 61 -0.440 -10.333 0.796 453 HA LYS 61 HA LYS 61 -1.864 -9.909 2.517 454 1HB LYS 61 2HB LYS 61 -2.314 -12.683 1.969 455 2HB LYS 61 1HB LYS 61 -2.385 -12.416 3.707 456 1HG LYS 61 2HG LYS 61 -3.979 -10.963 1.611 457 2HG LYS 61 1HG LYS 61 -4.583 -12.173 2.746 458 1HD LYS 61 2HD LYS 61 -4.030 -10.716 4.615 459 2HD LYS 61 1HD LYS 61 -3.372 -9.516 3.501 460 1HE LYS 61 2HE LYS 61 -5.550 -8.788 4.070 461 2HE LYS 61 1HE LYS 61 -5.644 -9.429 2.431 462 1HZ LYS 61 1HZ LYS 61 -6.772 -10.492 4.907 463 2HZ LYS 61 2HZ LYS 61 -6.265 -11.608 3.742 464 3HZ LYS 61 3HZ LYS 61 -7.431 -10.447 3.349 465 H ASP 62 H ASP 62 0.761 -9.623 2.992 466 HA ASP 62 HA ASP 62 1.267 -10.787 5.642 467 1HB ASP 62 2HB ASP 62 3.551 -9.829 5.327 468 2HB ASP 62 1HB ASP 62 3.103 -11.000 4.088 469 H GLY 63 H GLY 63 0.592 -7.799 3.975 470 1HA GLY 63 2HA GLY 63 -0.435 -5.967 5.181 471 2HA GLY 63 1HA GLY 63 0.491 -6.438 6.601 472 H ALA 64 H ALA 64 2.623 -6.833 4.224 473 HA ALA 64 HA ALA 64 3.560 -4.043 4.336 474 1HB ALA 64 1HB ALA 64 4.848 -5.986 5.570 475 2HB ALA 64 2HB ALA 64 5.713 -4.698 4.730 476 3HB ALA 64 3HB ALA 64 5.496 -6.266 3.954 477 H LEU 65 H LEU 65 4.130 -3.082 2.473 478 HA LEU 65 HA LEU 65 3.660 -4.567 0.007 479 1HB LEU 65 2HB LEU 65 3.228 -1.854 0.893 480 2HB LEU 65 1HB LEU 65 4.119 -1.895 -0.616 481 HG LEU 65 HG LEU 65 2.372 -3.154 -1.695 482 1HD1 LEU 65 1HD1 LEU 65 1.100 -4.517 -0.499 483 2HD1 LEU 65 2HD1 LEU 65 0.237 -3.101 0.103 484 3HD1 LEU 65 3HD1 LEU 65 1.605 -3.749 1.007 485 1HD2 LEU 65 1HD2 LEU 65 1.589 -0.680 -0.215 486 2HD2 LEU 65 2HD2 LEU 65 0.422 -1.504 -1.251 487 3HD2 LEU 65 3HD2 LEU 65 1.933 -0.897 -1.931 488 H THR 66 H THR 66 5.289 -5.295 -1.096 489 HA THR 66 HA THR 66 7.969 -4.285 -0.624 490 HB THR 66 HB THR 66 8.783 -6.165 -1.764 491 HG1 THR 66 HG1 THR 66 6.274 -7.032 -2.683 492 1HG2 THR 66 1HG2 THR 66 7.915 -7.935 -0.529 493 2HG2 THR 66 2HG2 THR 66 6.258 -7.346 -0.667 494 3HG2 THR 66 3HG2 THR 66 7.395 -6.535 0.408 495 H LEU 67 H LEU 67 9.322 -3.516 -2.343 496 HA LEU 67 HA LEU 67 8.338 -1.532 -3.893 497 1HB LEU 67 2HB LEU 67 10.786 -2.474 -3.548 498 2HB LEU 67 1HB LEU 67 10.484 -3.210 -5.110 499 HG LEU 67 HG LEU 67 10.366 -0.250 -4.519 500 1HD1 LEU 67 1HD1 LEU 67 12.460 -2.034 -5.692 501 2HD1 LEU 67 2HD1 LEU 67 12.626 -0.754 -4.491 502 3HD1 LEU 67 3HD1 LEU 67 12.348 -0.344 -6.184 503 1HD2 LEU 67 1HD2 LEU 67 8.828 -1.183 -6.327 504 2HD2 LEU 67 2HD2 LEU 67 10.299 -1.557 -7.222 505 3HD2 LEU 67 3HD2 LEU 67 9.927 0.113 -6.796 506 H ASP 68 H ASP 68 8.338 -4.974 -4.717 507 HA ASP 68 HA ASP 68 7.553 -4.725 -7.408 508 1HB ASP 68 2HB ASP 68 7.960 -6.816 -5.526 509 2HB ASP 68 1HB ASP 68 6.362 -7.038 -6.219 510 H GLU 69 H GLU 69 5.642 -5.198 -4.452 511 HA GLU 69 HA GLU 69 3.110 -5.042 -5.692 512 1HB GLU 69 2HB GLU 69 3.922 -4.416 -2.841 513 2HB GLU 69 1HB GLU 69 2.263 -4.613 -3.394 514 1HG GLU 69 2HG GLU 69 2.606 -6.916 -3.860 515 2HG GLU 69 1HG GLU 69 4.348 -6.764 -3.649 516 H PHE 70 H PHE 70 5.329 -2.677 -4.362 517 HA PHE 70 HA PHE 70 3.687 -0.396 -4.398 518 1HB PHE 70 2HB PHE 70 5.722 -0.152 -3.271 519 2HB PHE 70 1HB PHE 70 6.646 -0.883 -4.575 520 HD1 PHE 70 HD1 PHE 70 4.172 1.850 -4.911 521 HD2 PHE 70 HD2 PHE 70 8.281 0.744 -4.897 522 HE1 PHE 70 HE1 PHE 70 4.775 4.090 -5.731 523 HE2 PHE 70 HE2 PHE 70 8.891 2.978 -5.723 524 HZ PHE 70 HZ PHE 70 7.144 4.659 -6.123 525 H CYS 71 H CYS 71 6.038 -1.498 -6.847 526 HA CYS 71 HA CYS 71 5.326 0.448 -8.777 527 1HB CYS 71 2HB CYS 71 7.184 -1.712 -8.572 528 2HB CYS 71 1HB CYS 71 6.323 -1.863 -10.099 529 HG CYS 71 HG CYS 71 8.564 0.439 -9.121 530 H ALA 72 H ALA 72 4.464 -2.996 -8.490 531 HA ALA 72 HA ALA 72 2.819 -3.172 -10.732 532 1HB ALA 72 1HB ALA 72 2.693 -4.630 -8.098 533 2HB ALA 72 2HB ALA 72 3.486 -5.154 -9.584 534 3HB ALA 72 3HB ALA 72 1.727 -5.062 -9.508 535 H ALA 73 H ALA 73 1.948 -2.334 -7.377 536 HA ALA 73 HA ALA 73 -0.814 -1.976 -7.915 537 1HB ALA 73 1HB ALA 73 0.818 -0.766 -5.688 538 2HB ALA 73 2HB ALA 73 0.127 -2.388 -5.666 539 3HB ALA 73 3HB ALA 73 -0.932 -0.977 -5.721 540 H PHE 74 H PHE 74 1.800 0.408 -7.403 541 HA PHE 74 HA PHE 74 0.298 2.700 -7.894 542 1HB PHE 74 2HB PHE 74 2.885 2.231 -7.232 543 2HB PHE 74 1HB PHE 74 3.076 2.736 -8.907 544 HD1 PHE 74 HD1 PHE 74 1.453 3.767 -5.725 545 HD2 PHE 74 HD2 PHE 74 3.170 4.983 -9.419 546 HE1 PHE 74 HE1 PHE 74 1.271 6.119 -5.028 547 HE2 PHE 74 HE2 PHE 74 2.996 7.338 -8.730 548 HZ PHE 74 HZ PHE 74 2.046 7.910 -6.531 549 H HIS 75 H HIS 75 2.063 0.636 -10.176 550 HA HIS 75 HA HIS 75 1.890 2.089 -12.507 551 1HB HIS 75 2HB HIS 75 2.620 -0.456 -11.823 552 2HB HIS 75 1HB HIS 75 1.189 -0.757 -12.780 553 HD1 HIS 75 HD1 HIS 75 1.288 0.471 -15.279 554 HD2 HIS 75 HD2 HIS 75 4.854 -0.157 -13.255 555 HE1 HIS 75 HE1 HIS 75 3.124 0.597 -17.016 556 H LEU 76 H LEU 76 -0.480 -0.291 -11.338 557 HA LEU 76 HA LEU 76 -2.404 0.237 -13.326 558 1HB LEU 76 2HB LEU 76 -2.667 -1.784 -12.191 559 2HB LEU 76 1HB LEU 76 -2.484 -1.031 -10.620 560 HG LEU 76 HG LEU 76 -4.684 0.015 -10.869 561 1HD1 LEU 76 1HD1 LEU 76 -5.830 0.065 -12.771 562 2HD1 LEU 76 2HD1 LEU 76 -5.638 -1.672 -13.013 563 3HD1 LEU 76 3HD1 LEU 76 -4.382 -0.562 -13.560 564 1HD2 LEU 76 1HD2 LEU 76 -5.208 -2.855 -11.390 565 2HD2 LEU 76 2HD2 LEU 76 -5.811 -1.807 -10.107 566 3HD2 LEU 76 3HD2 LEU 76 -4.167 -2.444 -10.027 567 H VAL 77 H VAL 77 -2.182 1.352 -9.951 568 HA VAL 77 HA VAL 77 -4.432 2.934 -9.811 569 HB VAL 77 HB VAL 77 -1.714 3.584 -8.658 570 1HG1 VAL 77 1HG1 VAL 77 -3.413 5.462 -8.738 571 2HG1 VAL 77 2HG1 VAL 77 -2.785 5.045 -7.144 572 3HG1 VAL 77 3HG1 VAL 77 -4.389 4.496 -7.630 573 1HG2 VAL 77 1HG2 VAL 77 -2.656 2.540 -6.602 574 2HG2 VAL 77 2HG2 VAL 77 -2.417 1.410 -7.932 575 3HG2 VAL 77 3HG2 VAL 77 -4.035 2.004 -7.560 576 H VAL 78 H VAL 78 -1.313 3.720 -11.230 577 HA VAL 78 HA VAL 78 -1.528 6.393 -11.751 578 HB VAL 78 HB VAL 78 -0.423 4.232 -13.549 579 1HG1 VAL 78 1HG1 VAL 78 0.903 5.995 -14.610 580 2HG1 VAL 78 2HG1 VAL 78 0.036 7.210 -13.669 581 3HG1 VAL 78 3HG1 VAL 78 -0.826 6.239 -14.865 582 1HG2 VAL 78 1HG2 VAL 78 1.494 5.930 -12.236 583 2HG2 VAL 78 2HG2 VAL 78 1.335 4.174 -12.192 584 3HG2 VAL 78 3HG2 VAL 78 0.418 5.171 -11.063 585 H ALA 79 H ALA 79 -3.038 3.744 -13.538 586 HA ALA 79 HA ALA 79 -4.044 5.182 -15.715 587 1HB ALA 79 1HB ALA 79 -5.610 3.330 -15.968 588 2HB ALA 79 2HB ALA 79 -5.245 2.788 -14.328 589 3HB ALA 79 3HB ALA 79 -3.995 2.742 -15.570 590 H ARG 80 H ARG 80 -5.158 4.948 -12.447 591 HA ARG 80 HA ARG 80 -7.805 5.735 -12.696 592 1HB ARG 80 2HB ARG 80 -6.382 4.947 -10.655 593 2HB ARG 80 1HB ARG 80 -6.128 6.668 -10.413 594 1HG ARG 80 2HG ARG 80 -7.979 5.865 -9.066 595 2HG ARG 80 1HG ARG 80 -8.534 7.031 -10.275 596 1HD ARG 80 2HD ARG 80 -9.425 5.283 -11.645 597 2HD ARG 80 1HD ARG 80 -8.659 4.040 -10.657 598 HE ARG 80 HE ARG 80 -10.528 4.076 -9.368 599 1HH1 ARG 80 2HH1 ARG 80 -10.138 7.226 -10.745 600 2HH1 ARG 80 1HH1 ARG 80 -11.623 7.824 -10.099 601 1HH2 ARG 80 1HH2 ARG 80 -12.427 4.811 -8.518 602 2HH2 ARG 80 2HH2 ARG 80 -12.921 6.443 -8.799 603 H LYS 81 H LYS 81 -4.962 7.636 -13.187 604 HA LYS 81 HA LYS 81 -5.555 10.164 -12.439 605 1HB LYS 81 2HB LYS 81 -4.479 9.291 -15.117 606 2HB LYS 81 1HB LYS 81 -4.428 10.950 -14.530 607 1HG LYS 81 2HG LYS 81 -3.107 10.159 -12.583 608 2HG LYS 81 1HG LYS 81 -3.070 8.559 -13.311 609 1HD LYS 81 2HD LYS 81 -1.017 9.694 -13.834 610 2HD LYS 81 1HD LYS 81 -1.975 9.554 -15.311 611 1HE LYS 81 2HE LYS 81 -0.898 11.801 -14.934 612 2HE LYS 81 1HE LYS 81 -2.643 11.836 -15.191 613 1HZ LYS 81 1HZ LYS 81 -2.512 13.149 -13.362 614 2HZ LYS 81 2HZ LYS 81 -1.110 12.408 -12.774 615 3HZ LYS 81 3HZ LYS 81 -2.610 11.655 -12.573 616 H ASN 82 H ASN 82 -6.959 8.534 -15.261 617 HA ASN 82 HA ASN 82 -8.682 10.836 -15.772 618 1HB ASN 82 2HB ASN 82 -9.345 9.765 -17.761 619 2HB ASN 82 1HB ASN 82 -7.654 9.295 -17.592 620 1HD2 ASN 82 1HD2 ASN 82 -10.494 8.132 -18.487 621 2HD2 ASN 82 2HD2 ASN 82 -10.334 6.480 -18.010 622 H GLY 83 H GLY 83 -8.910 7.458 -14.818 623 1HA GLY 83 2HA GLY 83 -10.423 7.036 -12.874 624 2HA GLY 83 1HA GLY 83 -11.623 7.968 -13.756 625 H TYR 84 H TYR 84 -9.421 5.648 -15.234 626 HA TYR 84 HA TYR 84 -11.486 4.331 -16.603 627 1HB TYR 84 2HB TYR 84 -8.643 4.188 -16.501 628 2HB TYR 84 1HB TYR 84 -9.274 2.552 -16.328 629 HD1 TYR 84 HD1 TYR 84 -8.902 5.414 -18.563 630 HD2 TYR 84 HD2 TYR 84 -10.596 1.536 -18.126 631 HE1 TYR 84 HE1 TYR 84 -9.262 5.302 -20.995 632 HE2 TYR 84 HE2 TYR 84 -10.958 1.414 -20.554 633 HH TYR 84 HH TYR 84 -10.794 2.465 -22.499 634 H ASP 85 H ASP 85 -12.510 2.379 -16.280 635 HA ASP 85 HA ASP 85 -13.197 1.683 -13.671 636 1HB ASP 85 2HB ASP 85 -14.758 1.176 -15.345 637 2HB ASP 85 1HB ASP 85 -13.566 0.333 -16.331 638 H LEU 86 H LEU 86 -12.770 -0.159 -12.397 639 HA LEU 86 HA LEU 86 -10.201 -1.485 -12.999 640 1HB LEU 86 2HB LEU 86 -11.393 -0.833 -10.301 641 2HB LEU 86 1HB LEU 86 -9.915 -1.744 -10.546 642 HG LEU 86 HG LEU 86 -8.970 0.289 -11.706 643 1HD1 LEU 86 1HD1 LEU 86 -11.125 1.862 -10.365 644 2HD1 LEU 86 2HD1 LEU 86 -11.372 1.235 -11.995 645 3HD1 LEU 86 3HD1 LEU 86 -10.034 2.334 -11.666 646 1HD2 LEU 86 1HD2 LEU 86 -9.338 1.504 -9.194 647 2HD2 LEU 86 2HD2 LEU 86 -7.978 0.524 -9.741 648 3HD2 LEU 86 3HD2 LEU 86 -9.343 -0.239 -8.923 649 HA PRO 87 HA PRO 87 -12.479 -5.297 -13.154 650 1HB PRO 87 2HB PRO 87 -10.332 -6.975 -12.891 651 2HB PRO 87 1HB PRO 87 -10.786 -6.180 -14.402 652 1HG PRO 87 2HG PRO 87 -8.701 -5.403 -12.401 653 2HG PRO 87 1HG PRO 87 -8.613 -5.390 -14.173 654 1HD PRO 87 2HD PRO 87 -9.026 -3.142 -12.757 655 2HD PRO 87 1HD PRO 87 -9.783 -3.401 -14.342 656 H GLU 88 H GLU 88 -13.035 -4.314 -10.742 657 HA GLU 88 HA GLU 88 -11.966 -5.264 -8.421 658 1HB GLU 88 2HB GLU 88 -14.890 -5.074 -9.162 659 2HB GLU 88 1HB GLU 88 -14.328 -5.409 -7.532 660 1HG GLU 88 2HG GLU 88 -13.028 -3.221 -7.719 661 2HG GLU 88 1HG GLU 88 -14.030 -2.902 -9.136 662 H LYS 89 H LYS 89 -12.021 -7.165 -7.216 663 HA LYS 89 HA LYS 89 -13.576 -9.419 -8.075 664 1HB LYS 89 2HB LYS 89 -10.582 -9.528 -8.455 665 2HB LYS 89 1HB LYS 89 -11.674 -10.897 -8.600 666 1HG LYS 89 2HG LYS 89 -12.767 -9.878 -10.491 667 2HG LYS 89 1HG LYS 89 -11.782 -8.428 -10.310 668 1HD LYS 89 2HD LYS 89 -9.762 -9.829 -10.684 669 2HD LYS 89 1HD LYS 89 -10.830 -11.194 -11.020 670 1HE LYS 89 2HE LYS 89 -11.848 -9.933 -12.857 671 2HE LYS 89 1HE LYS 89 -10.760 -8.585 -12.527 672 1HZ LYS 89 1HZ LYS 89 -10.293 -10.757 -14.173 673 2HZ LYS 89 2HZ LYS 89 -9.279 -10.971 -12.837 674 3HZ LYS 89 3HZ LYS 89 -9.197 -9.543 -13.742 675 H LEU 90 H LEU 90 -10.606 -8.618 -6.241 676 HA LEU 90 HA LEU 90 -10.856 -10.722 -4.412 677 1HB LEU 90 2HB LEU 90 -8.849 -9.215 -4.849 678 2HB LEU 90 1HB LEU 90 -9.610 -8.056 -3.775 679 HG LEU 90 HG LEU 90 -8.910 -10.870 -2.932 680 1HD1 LEU 90 1HD1 LEU 90 -7.307 -8.558 -2.017 681 2HD1 LEU 90 2HD1 LEU 90 -7.032 -9.120 -3.666 682 3HD1 LEU 90 3HD1 LEU 90 -6.826 -10.230 -2.311 683 1HD2 LEU 90 1HD2 LEU 90 -9.631 -8.375 -1.406 684 2HD2 LEU 90 2HD2 LEU 90 -9.063 -9.876 -0.673 685 3HD2 LEU 90 3HD2 LEU 90 -10.595 -9.848 -1.546 686 HA PRO 91 HA PRO 91 -14.412 -9.336 -2.110 687 1HB PRO 91 2HB PRO 91 -14.250 -11.194 -0.122 688 2HB PRO 91 1HB PRO 91 -14.887 -11.546 -1.732 689 1HG PRO 91 2HG PRO 91 -12.164 -12.080 -0.613 690 2HG PRO 91 1HG PRO 91 -13.188 -13.130 -1.610 691 1HD PRO 91 2HD PRO 91 -11.129 -11.727 -2.649 692 2HD PRO 91 1HD PRO 91 -12.617 -12.042 -3.567 693 H GLU 92 H GLU 92 -14.800 -8.040 -0.338 694 HA GLU 92 HA GLU 92 -12.813 -6.546 0.819 695 1HB GLU 92 2HB GLU 92 -15.375 -7.311 2.232 696 2HB GLU 92 1HB GLU 92 -14.421 -5.853 2.474 697 1HG GLU 92 2HG GLU 92 -15.029 -4.989 0.362 698 2HG GLU 92 1HG GLU 92 -15.730 -6.525 -0.142 699 H SER 93 H SER 93 -14.457 -9.295 2.395 700 HA SER 93 HA SER 93 -11.960 -9.922 3.787 701 1HB SER 93 2HB SER 93 -14.605 -9.533 5.210 702 2HB SER 93 1HB SER 93 -13.127 -10.140 5.954 703 HG SER 93 HG SER 93 -13.105 -7.673 4.604 704 H LEU 94 H LEU 94 -13.040 -11.276 1.640 705 HA LEU 94 HA LEU 94 -13.786 -13.816 2.911 706 1HB LEU 94 2HB LEU 94 -15.115 -12.634 0.474 707 2HB LEU 94 1HB LEU 94 -15.407 -14.243 1.104 708 HG LEU 94 HG LEU 94 -15.993 -11.685 2.595 709 1HD1 LEU 94 1HD1 LEU 94 -17.636 -13.422 0.817 710 2HD1 LEU 94 2HD1 LEU 94 -17.615 -11.666 0.971 711 3HD1 LEU 94 3HD1 LEU 94 -18.394 -12.650 2.210 712 1HD2 LEU 94 1HD2 LEU 94 -17.460 -13.734 3.698 713 2HD2 LEU 94 2HD2 LEU 94 -15.976 -13.052 4.364 714 3HD2 LEU 94 3HD2 LEU 94 -15.908 -14.495 3.354 715 H MET 95 H MET 95 -11.233 -12.965 1.922 716 HA MET 95 HA MET 95 -10.781 -14.081 -0.667 717 1HB MET 95 2HB MET 95 -9.300 -12.579 1.229 718 2HB MET 95 1HB MET 95 -8.379 -14.034 0.896 719 1HG MET 95 2HG MET 95 -9.351 -12.024 -1.114 720 2HG MET 95 1HG MET 95 -7.690 -12.277 -0.583 721 1HE MET 95 1HE MET 95 -8.520 -12.225 -3.676 722 2HE MET 95 2HE MET 95 -7.548 -13.576 -4.259 723 3HE MET 95 3HE MET 95 -6.878 -12.459 -3.072 724 HA PRO 96 HA PRO 96 -9.067 -17.877 1.749 725 1HB PRO 96 2HB PRO 96 -9.234 -17.935 4.430 726 2HB PRO 96 1HB PRO 96 -7.902 -17.131 3.590 727 1HG PRO 96 2HG PRO 96 -10.340 -15.954 4.854 728 2HG PRO 96 1HG PRO 96 -8.673 -15.354 4.859 729 1HD PRO 96 2HD PRO 96 -10.658 -14.407 3.205 730 2HD PRO 96 1HD PRO 96 -8.924 -14.303 2.846 731 H LYS 97 HN LYS 97 -10.156 -19.800 2.039 732 HA LYS 97 HA LYS 97 -12.791 -19.725 3.296 733 1HB LYS 97 2HB LYS 97 -12.329 -20.833 0.530 734 2HB LYS 97 1HB LYS 97 -13.852 -20.836 1.414 735 1HG LYS 97 2HG LYS 97 -13.846 -18.383 1.406 736 2HG LYS 97 1HG LYS 97 -12.347 -18.401 0.474 737 1HD LYS 97 2HD LYS 97 -14.250 -18.054 -0.992 738 2HD LYS 97 1HD LYS 97 -13.507 -19.623 -1.320 739 1HE LYS 97 2HE LYS 97 -15.991 -19.694 -1.249 740 2HE LYS 97 1HE LYS 97 -15.220 -20.757 -0.071 741 1HZ LYS 97 1HZ LYS 97 -15.503 -18.505 1.346 742 2HZ LYS 97 2HZ LYS 97 -16.628 -19.770 1.348 743 3HZ LYS 97 3HZ LYS 97 -16.873 -18.422 0.356 Start of MODEL 12 1 1H TRP 6 1H TRP 6 2.731 -6.902 -14.478 2 2H TRP 6 2H TRP 6 2.924 -7.591 -16.012 3 3H TRP 6 3H TRP 6 1.375 -7.369 -15.374 4 HA TRP 6 HA TRP 6 1.603 -5.644 -16.902 5 1HB TRP 6 2HB TRP 6 2.343 -4.634 -14.145 6 2HB TRP 6 1HB TRP 6 1.723 -3.626 -15.446 7 HD1 TRP 6 HD1 TRP 6 0.356 -7.065 -14.295 8 HE1 TRP 6 HE1 TRP 6 -2.106 -6.753 -13.621 9 HE3 TRP 6 HE3 TRP 6 -0.011 -2.002 -14.896 10 HZ2 TRP 6 HZ2 TRP 6 -3.963 -4.635 -13.374 11 HZ3 TRP 6 HZ3 TRP 6 -2.162 -0.910 -14.420 12 HH2 TRP 6 HH2 TRP 6 -4.098 -2.199 -13.677 13 H LYS 7 H LYS 7 2.886 -4.391 -18.198 14 HA LYS 7 HA LYS 7 5.764 -4.616 -17.735 15 1HB LYS 7 2HB LYS 7 4.097 -4.658 -20.056 16 2HB LYS 7 1HB LYS 7 5.233 -3.322 -20.201 17 1HG LYS 7 2HG LYS 7 7.084 -4.874 -19.742 18 2HG LYS 7 1HG LYS 7 5.924 -6.201 -19.674 19 1HD LYS 7 2HD LYS 7 5.603 -6.220 -21.926 20 2HD LYS 7 1HD LYS 7 5.892 -4.487 -22.095 21 1HE LYS 7 2HE LYS 7 8.030 -6.528 -21.496 22 2HE LYS 7 1HE LYS 7 7.663 -5.909 -23.107 23 1HZ LYS 7 1HZ LYS 7 8.537 -3.873 -22.627 24 2HZ LYS 7 2HZ LYS 7 9.522 -4.828 -21.638 25 3HZ LYS 7 3HZ LYS 7 8.218 -3.983 -20.968 26 H ILE 8 H ILE 8 7.075 -2.915 -17.297 27 HA ILE 8 HA ILE 8 5.812 -0.250 -17.141 28 HB ILE 8 HB ILE 8 8.180 -1.230 -15.537 29 1HG1 ILE 8 2HG1 ILE 8 6.095 -0.686 -13.793 30 2HG1 ILE 8 1HG1 ILE 8 5.308 -1.524 -15.127 31 1HG2 ILE 8 1HG2 ILE 8 8.513 0.932 -15.147 32 2HG2 ILE 8 2HG2 ILE 8 6.958 0.970 -14.315 33 3HG2 ILE 8 3HG2 ILE 8 7.050 1.368 -16.031 34 1HD1 ILE 8 1HD1 ILE 8 6.064 -3.474 -14.406 35 2HD1 ILE 8 2HD1 ILE 8 6.674 -2.645 -12.976 36 3HD1 ILE 8 3HD1 ILE 8 7.725 -2.880 -14.371 37 H THR 9 H THR 9 6.652 1.350 -18.367 38 HA THR 9 HA THR 9 8.805 0.840 -20.161 39 HB THR 9 HB THR 9 7.872 3.616 -19.430 40 HG1 THR 9 HG1 THR 9 6.636 2.334 -21.573 41 1HG2 THR 9 1HG2 THR 9 9.844 3.102 -20.998 42 2HG2 THR 9 2HG2 THR 9 8.609 4.229 -21.560 43 3HG2 THR 9 3HG2 THR 9 8.612 2.564 -22.141 44 H ASP 10 H ASP 10 10.958 1.272 -19.966 45 HA ASP 10 HA ASP 10 12.262 1.376 -17.602 46 1HB ASP 10 2HB ASP 10 13.149 1.292 -20.075 47 2HB ASP 10 1HB ASP 10 13.370 3.026 -19.842 48 H GLU 11 H GLU 11 11.112 4.214 -19.425 49 HA GLU 11 HA GLU 11 12.199 6.190 -17.782 50 1HB GLU 11 2HB GLU 11 9.887 6.048 -19.667 51 2HB GLU 11 1HB GLU 11 10.098 7.471 -18.670 52 1HG GLU 11 2HG GLU 11 12.352 7.774 -19.590 53 2HG GLU 11 1HG GLU 11 12.100 6.366 -20.620 54 H GLN 12 H GLN 12 8.986 4.664 -17.679 55 HA GLN 12 HA GLN 12 8.028 6.093 -15.465 56 1HB GLN 12 2HB GLN 12 7.283 3.341 -16.464 57 2HB GLN 12 1HB GLN 12 6.327 4.340 -15.392 58 1HG GLN 12 2HG GLN 12 6.307 6.070 -17.232 59 2HG GLN 12 1HG GLN 12 6.951 4.802 -18.278 60 1HE2 GLN 12 1HE2 GLN 12 5.366 4.081 -19.532 61 2HE2 GLN 12 2HE2 GLN 12 3.757 3.726 -19.014 62 H ARG 13 H ARG 13 9.814 3.095 -15.803 63 HA ARG 13 HA ARG 13 9.576 1.987 -13.303 64 1HB ARG 13 2HB ARG 13 10.780 1.002 -15.235 65 2HB ARG 13 1HB ARG 13 12.099 2.135 -14.966 66 1HG ARG 13 2HG ARG 13 12.931 0.332 -13.871 67 2HG ARG 13 1HG ARG 13 12.027 1.064 -12.544 68 1HD ARG 13 2HD ARG 13 10.079 -0.379 -13.255 69 2HD ARG 13 1HD ARG 13 11.208 -1.232 -14.303 70 HE ARG 13 HE ARG 13 11.926 -1.077 -11.498 71 1HH1 ARG 13 2HH1 ARG 13 10.558 -2.849 -14.092 72 2HH1 ARG 13 1HH1 ARG 13 10.628 -4.371 -13.274 73 1HH2 ARG 13 1HH2 ARG 13 12.025 -3.053 -10.392 74 2HH2 ARG 13 2HH2 ARG 13 11.432 -4.477 -11.166 75 H GLN 14 H GLN 14 12.154 4.276 -14.278 76 HA GLN 14 HA GLN 14 13.105 4.536 -11.594 77 1HB GLN 14 2HB GLN 14 14.624 6.189 -12.476 78 2HB GLN 14 1HB GLN 14 14.564 4.825 -13.572 79 1HG GLN 14 2HG GLN 14 14.555 6.682 -14.965 80 2HG GLN 14 1HG GLN 14 12.866 6.191 -14.895 81 1HE2 GLN 14 1HE2 GLN 14 11.602 7.896 -14.884 82 2HE2 GLN 14 2HE2 GLN 14 11.881 9.367 -14.021 83 H TYR 15 H TYR 15 10.731 6.111 -13.516 84 HA TYR 15 HA TYR 15 10.560 8.612 -12.348 85 1HB TYR 15 2HB TYR 15 9.278 8.035 -14.322 86 2HB TYR 15 1HB TYR 15 8.342 6.855 -13.411 87 HD1 TYR 15 HD1 TYR 15 9.296 10.338 -12.491 88 HD2 TYR 15 HD2 TYR 15 6.157 7.642 -13.479 89 HE1 TYR 15 HE1 TYR 15 7.641 12.076 -11.951 90 HE2 TYR 15 HE2 TYR 15 4.495 9.370 -12.942 91 HH TYR 15 HH TYR 15 4.311 11.741 -12.748 92 H TYR 16 H TYR 16 8.705 5.685 -11.391 93 HA TYR 16 HA TYR 16 7.562 6.962 -9.123 94 1HB TYR 16 2HB TYR 16 6.755 4.791 -8.486 95 2HB TYR 16 1HB TYR 16 6.635 4.924 -10.235 96 HD1 TYR 16 HD1 TYR 16 7.565 3.269 -11.596 97 HD2 TYR 16 HD2 TYR 16 8.817 3.563 -7.539 98 HE1 TYR 16 HE1 TYR 16 8.806 1.158 -11.832 99 HE2 TYR 16 HE2 TYR 16 10.064 1.455 -7.765 100 HH TYR 16 HH TYR 16 11.138 0.156 -9.756 101 H VAL 17 H VAL 17 10.444 5.002 -9.566 102 HA VAL 17 HA VAL 17 11.143 4.559 -6.906 103 HB VAL 17 HB VAL 17 13.046 5.058 -9.197 104 1HG1 VAL 17 1HG1 VAL 17 14.410 3.361 -7.824 105 2HG1 VAL 17 2HG1 VAL 17 13.336 3.797 -6.494 106 3HG1 VAL 17 3HG1 VAL 17 14.339 5.031 -7.258 107 1HG2 VAL 17 1HG2 VAL 17 11.201 3.321 -9.536 108 2HG2 VAL 17 2HG2 VAL 17 12.038 2.379 -8.302 109 3HG2 VAL 17 3HG2 VAL 17 12.866 2.806 -9.799 110 H ASN 18 H ASN 18 11.956 7.308 -9.020 111 HA ASN 18 HA ASN 18 13.723 8.682 -7.480 112 1HB ASN 18 2HB ASN 18 11.624 9.422 -9.422 113 2HB ASN 18 1HB ASN 18 12.235 10.723 -8.419 114 1HD2 ASN 18 1HD2 ASN 18 12.636 9.208 -11.269 115 2HD2 ASN 18 2HD2 ASN 18 14.295 9.567 -11.577 116 H GLN 19 H GLN 19 10.216 8.532 -7.008 117 HA GLN 19 HA GLN 19 10.373 10.353 -4.742 118 1HB GLN 19 2HB GLN 19 8.016 8.900 -5.941 119 2HB GLN 19 1HB GLN 19 7.927 10.116 -4.676 120 1HG GLN 19 2HG GLN 19 8.844 11.780 -6.207 121 2HG GLN 19 1HG GLN 19 8.943 10.558 -7.473 122 1HE2 GLN 19 1HE2 GLN 19 7.228 13.097 -6.559 123 2HE2 GLN 19 2HE2 GLN 19 5.663 12.659 -7.134 124 H PHE 20 H PHE 20 9.154 7.024 -5.269 125 HA PHE 20 HA PHE 20 8.778 6.500 -2.521 126 1HB PHE 20 2HB PHE 20 8.492 5.029 -4.993 127 2HB PHE 20 1HB PHE 20 9.089 4.018 -3.679 128 HD1 PHE 20 HD1 PHE 20 7.453 2.882 -2.575 129 HD2 PHE 20 HD2 PHE 20 6.636 6.800 -4.008 130 HE1 PHE 20 HE1 PHE 20 5.198 2.761 -1.605 131 HE2 PHE 20 HE2 PHE 20 4.376 6.687 -3.042 132 HZ PHE 20 HZ PHE 20 3.664 4.669 -1.835 133 H LYS 21 H LYS 21 11.599 6.287 -4.507 134 HA LYS 21 HA LYS 21 13.166 4.381 -3.383 135 1HB LYS 21 2HB LYS 21 15.114 5.798 -3.863 136 2HB LYS 21 1HB LYS 21 13.945 5.854 -5.174 137 1HG LYS 21 2HG LYS 21 13.124 8.007 -4.348 138 2HG LYS 21 1HG LYS 21 14.314 7.954 -3.045 139 1HD LYS 21 2HD LYS 21 16.097 7.812 -4.810 140 2HD LYS 21 1HD LYS 21 14.839 8.112 -6.009 141 1HE LYS 21 2HE LYS 21 16.149 10.133 -5.278 142 2HE LYS 21 1HE LYS 21 14.400 10.274 -5.148 143 1HZ LYS 21 1HZ LYS 21 14.943 9.393 -2.726 144 2HZ LYS 21 2HZ LYS 21 14.973 11.038 -3.114 145 3HZ LYS 21 3HZ LYS 21 16.417 10.162 -3.045 146 H THR 22 H THR 22 12.177 7.383 -1.953 147 HA THR 22 HA THR 22 13.909 7.610 0.207 148 HB THR 22 HB THR 22 10.951 8.221 0.297 149 HG1 THR 22 HG1 THR 22 11.426 9.491 -1.347 150 1HG2 THR 22 1HG2 THR 22 12.191 10.224 1.609 151 2HG2 THR 22 2HG2 THR 22 13.310 8.900 1.937 152 3HG2 THR 22 3HG2 THR 22 11.613 8.755 2.397 153 H ILE 23 H ILE 23 10.977 5.686 -0.160 154 HA ILE 23 HA ILE 23 11.448 4.487 2.483 155 HB ILE 23 HB ILE 23 8.925 4.328 0.829 156 1HG1 ILE 23 2HG1 ILE 23 8.034 5.838 2.700 157 2HG1 ILE 23 1HG1 ILE 23 9.718 6.167 3.091 158 1HG2 ILE 23 1HG2 ILE 23 9.284 3.696 3.745 159 2HG2 ILE 23 2HG2 ILE 23 9.457 2.482 2.477 160 3HG2 ILE 23 3HG2 ILE 23 7.916 3.311 2.703 161 1HD1 ILE 23 1HD1 ILE 23 9.640 7.809 1.616 162 2HD1 ILE 23 2HD1 ILE 23 8.054 7.292 1.040 163 3HD1 ILE 23 3HD1 ILE 23 9.516 6.589 0.349 164 H GLN 24 H GLN 24 10.895 3.658 -0.936 165 HA GLN 24 HA GLN 24 11.649 0.889 -0.275 166 1HB GLN 24 2HB GLN 24 9.336 1.784 -1.479 167 2HB GLN 24 1HB GLN 24 10.324 1.239 -2.822 168 1HG GLN 24 2HG GLN 24 8.948 -0.574 -2.107 169 2HG GLN 24 1HG GLN 24 10.618 -0.934 -1.677 170 1HE2 GLN 24 1HE2 GLN 24 10.746 0.686 0.706 171 2HE2 GLN 24 2HE2 GLN 24 9.722 -0.057 1.875 172 HA PRO 25 HA PRO 25 14.997 2.605 -3.033 173 1HB PRO 25 2HB PRO 25 17.049 1.595 -1.574 174 2HB PRO 25 1HB PRO 25 16.305 3.163 -1.239 175 1HG PRO 25 2HG PRO 25 15.829 0.520 0.088 176 2HG PRO 25 1HG PRO 25 16.024 2.123 0.825 177 1HD PRO 25 2HD PRO 25 13.600 0.988 0.465 178 2HD PRO 25 1HD PRO 25 13.852 2.742 0.359 179 H ASP 26 H ASP 26 15.218 -0.572 -1.357 180 HA ASP 26 HA ASP 26 15.592 -1.839 -3.976 181 1HB ASP 26 2HB ASP 26 17.790 -1.459 -2.767 182 2HB ASP 26 1HB ASP 26 17.212 -2.578 -1.536 183 H LEU 27 H LEU 27 15.942 -4.444 -3.102 184 HA LEU 27 HA LEU 27 13.264 -5.101 -2.248 185 1HB LEU 27 2HB LEU 27 15.624 -6.757 -3.105 186 2HB LEU 27 1HB LEU 27 14.135 -7.479 -2.520 187 HG LEU 27 HG LEU 27 12.892 -6.405 -4.351 188 1HD1 LEU 27 1HD1 LEU 27 15.339 -5.680 -5.820 189 2HD1 LEU 27 2HD1 LEU 27 14.905 -4.620 -4.482 190 3HD1 LEU 27 3HD1 LEU 27 13.758 -4.902 -5.789 191 1HD2 LEU 27 1HD2 LEU 27 15.173 -8.244 -4.879 192 2HD2 LEU 27 2HD2 LEU 27 14.237 -7.634 -6.245 193 3HD2 LEU 27 3HD2 LEU 27 13.437 -8.544 -4.962 194 H ASN 28 H ASN 28 14.878 -3.761 -0.349 195 HA ASN 28 HA ASN 28 14.827 -5.755 1.811 196 1HB ASN 28 2HB ASN 28 17.191 -5.205 1.177 197 2HB ASN 28 1HB ASN 28 16.859 -3.522 1.579 198 1HD2 ASN 28 1HD2 ASN 28 17.429 -2.933 3.532 199 2HD2 ASN 28 2HD2 ASN 28 17.580 -3.968 4.905 200 H GLY 29 H GLY 29 12.978 -3.752 0.720 201 1HA GLY 29 2HA GLY 29 12.452 -2.324 3.230 202 2HA GLY 29 1HA GLY 29 12.464 -1.422 1.723 203 H PHE 30 H PHE 30 10.342 -2.278 3.800 204 HA PHE 30 HA PHE 30 8.350 -3.069 1.773 205 1HB PHE 30 2HB PHE 30 8.371 -4.189 4.583 206 2HB PHE 30 1HB PHE 30 7.364 -4.688 3.229 207 HD1 PHE 30 HD1 PHE 30 9.861 -5.814 5.176 208 HD2 PHE 30 HD2 PHE 30 9.068 -5.169 1.047 209 HE1 PHE 30 HE1 PHE 30 11.527 -7.529 4.593 210 HE2 PHE 30 HE2 PHE 30 10.731 -6.883 0.457 211 HZ PHE 30 HZ PHE 30 11.959 -8.068 2.231 212 H ILE 31 H ILE 31 6.708 -1.693 1.737 213 HA ILE 31 HA ILE 31 6.405 0.270 3.853 214 HB ILE 31 HB ILE 31 5.365 0.021 1.060 215 1HG1 ILE 31 2HG1 ILE 31 6.552 2.434 2.371 216 2HG1 ILE 31 1HG1 ILE 31 7.601 1.103 1.880 217 1HG2 ILE 31 1HG2 ILE 31 4.239 1.723 3.258 218 2HG2 ILE 31 2HG2 ILE 31 3.387 0.728 2.076 219 3HG2 ILE 31 3HG2 ILE 31 4.161 2.230 1.571 220 1HD1 ILE 31 1HD1 ILE 31 7.716 2.246 -0.049 221 2HD1 ILE 31 2HD1 ILE 31 6.212 3.116 0.257 222 3HD1 ILE 31 3HD1 ILE 31 6.166 1.473 -0.386 223 HA PRO 32 HA PRO 32 2.939 -1.918 5.634 224 1HB PRO 32 2HB PRO 32 2.502 -0.163 7.646 225 2HB PRO 32 1HB PRO 32 3.843 -1.314 7.675 226 1HG PRO 32 2HG PRO 32 3.855 1.596 7.003 227 2HG PRO 32 1HG PRO 32 5.040 0.650 7.921 228 1HD PRO 32 2HD PRO 32 5.351 1.369 5.291 229 2HD PRO 32 1HD PRO 32 6.125 -0.045 6.031 230 H GLY 33 H GLY 33 0.691 -1.659 5.516 231 1HA GLY 33 2HA GLY 33 -0.436 -0.051 3.615 232 2HA GLY 33 1HA GLY 33 -1.332 -0.641 5.007 233 H SER 34 H SER 34 -0.026 0.772 7.025 234 HA SER 34 HA SER 34 -1.424 3.170 7.078 235 1HB SER 34 2HB SER 34 1.078 2.405 8.598 236 2HB SER 34 1HB SER 34 0.052 3.787 8.984 237 HG SER 34 HG SER 34 -0.906 2.343 10.196 238 H ALA 35 H ALA 35 1.889 2.521 5.975 239 HA ALA 35 HA ALA 35 2.524 5.292 5.616 240 1HB ALA 35 1HB ALA 35 3.921 2.858 5.612 241 2HB ALA 35 2HB ALA 35 4.587 4.480 5.420 242 3HB ALA 35 3HB ALA 35 4.125 3.542 3.999 243 H ALA 36 H ALA 36 1.689 2.593 3.472 244 HA ALA 36 HA ALA 36 1.802 3.936 1.045 245 1HB ALA 36 1HB ALA 36 -0.203 1.796 1.729 246 2HB ALA 36 2HB ALA 36 1.494 1.480 1.361 247 3HB ALA 36 3HB ALA 36 0.445 2.198 0.138 248 H LYS 37 H LYS 37 -1.053 3.544 3.195 249 HA LYS 37 HA LYS 37 -2.801 5.007 1.586 250 1HB LYS 37 2HB LYS 37 -2.849 3.761 4.116 251 2HB LYS 37 1HB LYS 37 -3.416 5.410 4.351 252 1HG LYS 37 2HG LYS 37 -5.237 5.127 2.977 253 2HG LYS 37 1HG LYS 37 -4.494 3.790 2.096 254 1HD LYS 37 2HD LYS 37 -5.193 3.544 4.995 255 2HD LYS 37 1HD LYS 37 -6.402 3.268 3.739 256 1HE LYS 37 2HE LYS 37 -4.552 1.695 2.751 257 2HE LYS 37 1HE LYS 37 -3.947 1.709 4.409 258 1HZ LYS 37 1HZ LYS 37 -5.702 -0.055 3.611 259 2HZ LYS 37 2HZ LYS 37 -6.798 1.177 3.987 260 3HZ LYS 37 3HZ LYS 37 -5.756 0.582 5.179 261 H GLU 38 H GLU 38 -0.794 6.148 4.332 262 HA GLU 38 HA GLU 38 -1.609 8.821 4.173 263 1HB GLU 38 2HB GLU 38 0.705 7.361 5.324 264 2HB GLU 38 1HB GLU 38 0.859 9.094 5.123 265 1HG GLU 38 2HG GLU 38 -1.268 9.357 6.396 266 2HG GLU 38 1HG GLU 38 -1.216 7.625 6.716 267 H PHE 39 H PHE 39 1.204 7.192 2.739 268 HA PHE 39 HA PHE 39 2.317 9.380 1.423 269 1HB PHE 39 2HB PHE 39 2.842 6.680 1.630 270 2HB PHE 39 1HB PHE 39 2.471 6.880 -0.070 271 HD1 PHE 39 HD1 PHE 39 4.511 8.448 2.611 272 HD2 PHE 39 HD2 PHE 39 4.152 7.480 -1.514 273 HE1 PHE 39 HE1 PHE 39 6.781 9.309 2.217 274 HE2 PHE 39 HE2 PHE 39 6.423 8.336 -1.918 275 HZ PHE 39 HZ PHE 39 7.741 9.252 -0.049 276 H PHE 40 H PHE 40 0.149 6.882 0.105 277 HA PHE 40 HA PHE 40 -0.206 7.948 -2.432 278 1HB PHE 40 2HB PHE 40 -1.872 6.170 -0.696 279 2HB PHE 40 1HB PHE 40 -2.547 6.778 -2.200 280 HD1 PHE 40 HD1 PHE 40 -2.692 4.808 -3.453 281 HD2 PHE 40 HD2 PHE 40 0.987 5.860 -1.588 282 HE1 PHE 40 HE1 PHE 40 -1.551 3.024 -4.704 283 HE2 PHE 40 HE2 PHE 40 2.134 4.073 -2.835 284 HZ PHE 40 HZ PHE 40 0.863 2.654 -4.397 285 H THR 41 H THR 41 -1.700 8.859 0.589 286 HA THR 41 HA THR 41 -3.950 10.205 -0.112 287 HB THR 41 HB THR 41 -1.835 11.157 1.830 288 HG1 THR 41 HG1 THR 41 -3.085 9.045 2.076 289 1HG2 THR 41 1HG2 THR 41 -4.169 12.509 0.898 290 2HG2 THR 41 2HG2 THR 41 -3.033 13.007 2.152 291 3HG2 THR 41 3HG2 THR 41 -4.431 12.018 2.574 292 H LYS 42 H LYS 42 -0.640 11.291 -0.653 293 HA LYS 42 HA LYS 42 -0.966 13.919 -1.355 294 1HB LYS 42 2HB LYS 42 0.862 11.761 -2.285 295 2HB LYS 42 1HB LYS 42 0.840 13.263 -3.195 296 1HG LYS 42 2HG LYS 42 1.277 13.145 -0.225 297 2HG LYS 42 1HG LYS 42 2.589 13.106 -1.407 298 1HD LYS 42 2HD LYS 42 1.775 15.258 -2.318 299 2HD LYS 42 1HD LYS 42 0.553 15.305 -1.046 300 1HE LYS 42 2HE LYS 42 2.439 16.681 -0.419 301 2HE LYS 42 1HE LYS 42 2.352 15.277 0.642 302 1HZ LYS 42 1HZ LYS 42 4.022 15.050 -1.745 303 2HZ LYS 42 2HZ LYS 42 4.256 14.409 -0.197 304 3HZ LYS 42 3HZ LYS 42 4.592 16.041 -0.497 305 H SER 43 H SER 43 -1.723 11.093 -3.319 306 HA SER 43 HA SER 43 -2.231 12.496 -5.734 307 1HB SER 43 2HB SER 43 -3.176 9.782 -4.793 308 2HB SER 43 1HB SER 43 -3.396 10.397 -6.431 309 HG SER 43 HG SER 43 -1.115 9.456 -5.174 310 H LYS 44 H LYS 44 -3.866 12.915 -2.970 311 HA LYS 44 HA LYS 44 -5.984 13.530 -2.391 312 1HB LYS 44 2HB LYS 44 -5.331 15.413 -3.851 313 2HB LYS 44 1HB LYS 44 -6.015 14.566 -5.230 314 1HG LYS 44 2HG LYS 44 -8.196 14.876 -4.506 315 2HG LYS 44 1HG LYS 44 -7.701 15.177 -2.839 316 1HD LYS 44 2HD LYS 44 -7.203 17.006 -5.189 317 2HD LYS 44 1HD LYS 44 -8.425 17.240 -3.933 318 1HE LYS 44 2HE LYS 44 -6.644 17.345 -2.244 319 2HE LYS 44 1HE LYS 44 -5.438 17.149 -3.512 320 1HZ LYS 44 1HZ LYS 44 -5.428 19.368 -3.514 321 2HZ LYS 44 2HZ LYS 44 -6.923 19.495 -2.730 322 3HZ LYS 44 3HZ LYS 44 -6.863 19.247 -4.403 323 H LEU 45 H LEU 45 -5.653 10.879 -3.491 324 HA LEU 45 HA LEU 45 -8.111 10.355 -4.959 325 1HB LEU 45 2HB LEU 45 -5.905 8.511 -4.045 326 2HB LEU 45 1HB LEU 45 -7.296 8.011 -4.990 327 HG LEU 45 HG LEU 45 -5.171 9.965 -5.874 328 1HD1 LEU 45 1HD1 LEU 45 -5.733 7.098 -6.590 329 2HD1 LEU 45 2HD1 LEU 45 -4.255 7.781 -5.914 330 3HD1 LEU 45 3HD1 LEU 45 -4.726 8.163 -7.569 331 1HD2 LEU 45 1HD2 LEU 45 -7.443 10.455 -6.737 332 2HD2 LEU 45 2HD2 LEU 45 -7.489 8.834 -7.431 333 3HD2 LEU 45 3HD2 LEU 45 -6.293 10.003 -7.994 334 HA PRO 46 HA PRO 46 -10.508 9.448 -1.370 335 1HB PRO 46 2HB PRO 46 -12.196 7.565 -2.443 336 2HB PRO 46 1HB PRO 46 -12.393 9.307 -2.656 337 1HG PRO 46 2HG PRO 46 -11.163 7.299 -4.491 338 2HG PRO 46 1HG PRO 46 -12.245 8.651 -4.878 339 1HD PRO 46 2HD PRO 46 -9.597 8.799 -5.296 340 2HD PRO 46 1HD PRO 46 -10.531 10.213 -4.756 341 H ILE 47 H ILE 47 -9.358 8.389 0.139 342 HA ILE 47 HA ILE 47 -7.892 6.101 0.046 343 HB ILE 47 HB ILE 47 -9.742 6.860 2.312 344 1HG1 ILE 47 2HG1 ILE 47 -6.855 7.614 1.827 345 2HG1 ILE 47 1HG1 ILE 47 -8.232 8.684 1.589 346 1HG2 ILE 47 1HG2 ILE 47 -9.038 4.926 3.176 347 2HG2 ILE 47 2HG2 ILE 47 -7.490 5.737 3.400 348 3HG2 ILE 47 3HG2 ILE 47 -7.765 4.743 1.969 349 1HD1 ILE 47 1HD1 ILE 47 -8.053 9.311 3.695 350 2HD1 ILE 47 2HD1 ILE 47 -6.764 8.138 3.967 351 3HD1 ILE 47 3HD1 ILE 47 -8.449 7.668 4.196 352 H LEU 48 H LEU 48 -11.364 6.390 0.146 353 HA LEU 48 HA LEU 48 -12.227 3.897 0.875 354 1HB LEU 48 2HB LEU 48 -13.494 6.027 0.052 355 2HB LEU 48 1HB LEU 48 -13.392 5.269 -1.523 356 HG LEU 48 HG LEU 48 -14.659 3.945 0.872 357 1HD1 LEU 48 1HD1 LEU 48 -16.598 4.654 -1.033 358 2HD1 LEU 48 2HD1 LEU 48 -15.625 6.098 -0.751 359 3HD1 LEU 48 3HD1 LEU 48 -16.408 5.283 0.604 360 1HD2 LEU 48 1HD2 LEU 48 -14.557 2.157 -0.457 361 2HD2 LEU 48 2HD2 LEU 48 -14.023 3.119 -1.836 362 3HD2 LEU 48 3HD2 LEU 48 -15.745 2.966 -1.480 363 H GLU 49 H GLU 49 -10.940 4.949 -2.235 364 HA GLU 49 HA GLU 49 -11.200 2.338 -3.457 365 1HB GLU 49 2HB GLU 49 -9.525 4.621 -4.474 366 2HB GLU 49 1HB GLU 49 -10.254 3.316 -5.396 367 1HG GLU 49 2HG GLU 49 -12.487 4.253 -4.842 368 2HG GLU 49 1HG GLU 49 -11.670 5.622 -4.087 369 H LEU 50 H LEU 50 -8.613 4.381 -2.150 370 HA LEU 50 HA LEU 50 -6.330 3.036 -2.757 371 1HB LEU 50 2HB LEU 50 -7.265 4.538 -0.397 372 2HB LEU 50 1HB LEU 50 -5.903 3.486 -0.102 373 HG LEU 50 HG LEU 50 -4.710 4.634 -1.992 374 1HD1 LEU 50 1HD1 LEU 50 -7.094 6.462 -1.794 375 2HD1 LEU 50 2HD1 LEU 50 -6.560 5.546 -3.202 376 3HD1 LEU 50 3HD1 LEU 50 -5.582 6.883 -2.599 377 1HD2 LEU 50 1HD2 LEU 50 -3.745 5.793 -0.365 378 2HD2 LEU 50 2HD2 LEU 50 -5.120 5.428 0.678 379 3HD2 LEU 50 3HD2 LEU 50 -5.115 6.900 -0.293 380 H SER 51 H SER 51 -8.691 2.165 -0.277 381 HA SER 51 HA SER 51 -7.424 0.046 0.944 382 1HB SER 51 2HB SER 51 -9.649 0.924 1.607 383 2HB SER 51 1HB SER 51 -10.356 0.152 0.184 384 HG SER 51 HG SER 51 -10.617 -1.432 1.578 385 H HIS 52 H HIS 52 -9.294 -0.004 -2.076 386 HA HIS 52 HA HIS 52 -9.085 -2.771 -2.573 387 1HB HIS 52 2HB HIS 52 -10.648 -1.174 -3.730 388 2HB HIS 52 1HB HIS 52 -9.270 -0.568 -4.639 389 HD1 HIS 52 HD1 HIS 52 -10.884 -3.978 -4.028 390 HD2 HIS 52 HD2 HIS 52 -9.023 -1.787 -7.031 391 HE1 HIS 52 HE1 HIS 52 -10.957 -5.414 -6.099 392 H ILE 53 H ILE 53 -7.154 -0.044 -3.777 393 HA ILE 53 HA ILE 53 -5.369 -1.338 -5.405 394 HB ILE 53 HB ILE 53 -4.749 0.913 -3.481 395 1HG1 ILE 53 2HG1 ILE 53 -6.610 1.427 -4.981 396 2HG1 ILE 53 1HG1 ILE 53 -5.187 2.362 -5.426 397 1HG2 ILE 53 1HG2 ILE 53 -2.757 -0.272 -4.407 398 2HG2 ILE 53 2HG2 ILE 53 -2.871 1.429 -4.864 399 3HG2 ILE 53 3HG2 ILE 53 -3.313 0.172 -6.020 400 1HD1 ILE 53 1HD1 ILE 53 -6.100 1.635 -7.447 401 2HD1 ILE 53 2HD1 ILE 53 -6.393 0.008 -6.834 402 3HD1 ILE 53 3HD1 ILE 53 -4.744 0.545 -7.156 403 H TRP 54 H TRP 54 -5.161 -1.024 -1.853 404 HA TRP 54 HA TRP 54 -2.675 -2.379 -1.646 405 1HB TRP 54 2HB TRP 54 -3.542 -0.967 0.166 406 2HB TRP 54 1HB TRP 54 -4.849 -2.124 0.437 407 HD1 TRP 54 HD1 TRP 54 -4.130 -4.569 1.380 408 HE1 TRP 54 HE1 TRP 54 -2.117 -5.283 2.824 409 HE3 TRP 54 HE3 TRP 54 -1.136 -0.486 0.679 410 HZ2 TRP 54 HZ2 TRP 54 0.387 -4.238 3.577 411 HZ3 TRP 54 HZ3 TRP 54 1.045 -0.412 1.808 412 HH2 TRP 54 HH2 TRP 54 1.792 -2.251 3.225 413 H GLU 55 H GLU 55 -6.034 -3.550 -1.077 414 HA GLU 55 HA GLU 55 -5.298 -6.161 -0.468 415 1HB GLU 55 2HB GLU 55 -7.563 -6.833 -1.343 416 2HB GLU 55 1HB GLU 55 -7.561 -5.582 -0.109 417 1HG GLU 55 2HG GLU 55 -7.928 -3.888 -1.784 418 2HG GLU 55 1HG GLU 55 -7.830 -5.098 -3.066 419 H LEU 56 H LEU 56 -5.916 -4.722 -3.665 420 HA LEU 56 HA LEU 56 -5.493 -7.088 -5.153 421 1HB LEU 56 2HB LEU 56 -5.438 -4.172 -5.741 422 2HB LEU 56 1HB LEU 56 -4.736 -5.258 -6.925 423 HG LEU 56 HG LEU 56 -6.856 -6.454 -7.115 424 1HD1 LEU 56 1HD1 LEU 56 -8.764 -5.949 -5.894 425 2HD1 LEU 56 2HD1 LEU 56 -8.142 -4.378 -5.389 426 3HD1 LEU 56 3HD1 LEU 56 -7.480 -5.854 -4.688 427 1HD2 LEU 56 1HD2 LEU 56 -7.608 -3.582 -7.354 428 2HD2 LEU 56 2HD2 LEU 56 -7.884 -4.915 -8.475 429 3HD2 LEU 56 3HD2 LEU 56 -6.276 -4.206 -8.327 430 H SER 57 H SER 57 -3.248 -4.507 -4.208 431 HA SER 57 HA SER 57 -0.998 -5.749 -5.457 432 1HB SER 57 2HB SER 57 -1.215 -3.523 -3.426 433 2HB SER 57 1HB SER 57 0.288 -4.010 -4.196 434 HG SER 57 HG SER 57 -1.710 -2.442 -5.133 435 H ASP 58 H ASP 58 -2.518 -6.063 -2.360 436 HA ASP 58 HA ASP 58 -0.161 -7.378 -1.227 437 1HB ASP 58 2HB ASP 58 -1.400 -5.565 0.019 438 2HB ASP 58 1HB ASP 58 -2.735 -6.700 0.190 439 H PHE 59 H PHE 59 -1.061 -9.047 -3.085 440 HA PHE 59 HA PHE 59 -3.165 -10.762 -2.548 441 1HB PHE 59 2HB PHE 59 -0.561 -11.108 -3.962 442 2HB PHE 59 1HB PHE 59 -1.555 -12.528 -3.665 443 HD1 PHE 59 HD1 PHE 59 -1.743 -9.101 -5.105 444 HD2 PHE 59 HD2 PHE 59 -3.206 -13.095 -5.172 445 HE1 PHE 59 HE1 PHE 59 -3.067 -8.582 -7.113 446 HE2 PHE 59 HE2 PHE 59 -4.532 -12.580 -7.181 447 HZ PHE 59 HZ PHE 59 -4.460 -10.321 -8.154 448 H ASP 60 H ASP 60 -0.381 -10.370 -0.624 449 HA ASP 60 HA ASP 60 -0.524 -13.098 0.410 450 1HB ASP 60 2HB ASP 60 1.453 -12.323 1.781 451 2HB ASP 60 1HB ASP 60 1.685 -12.338 0.033 452 H LYS 61 H LYS 61 -1.662 -9.947 1.233 453 HA LYS 61 HA LYS 61 -2.899 -9.195 3.010 454 1HB LYS 61 2HB LYS 61 -3.158 -12.054 3.913 455 2HB LYS 61 1HB LYS 61 -4.314 -10.742 4.091 456 1HG LYS 61 2HG LYS 61 -3.546 -12.020 1.475 457 2HG LYS 61 1HG LYS 61 -4.996 -12.397 2.408 458 1HD LYS 61 2HD LYS 61 -4.305 -9.675 1.312 459 2HD LYS 61 1HD LYS 61 -5.422 -10.817 0.557 460 1HE LYS 61 2HE LYS 61 -6.280 -10.644 3.190 461 2HE LYS 61 1HE LYS 61 -5.848 -8.988 2.766 462 1HZ LYS 61 1HZ LYS 61 -7.891 -8.952 1.895 463 2HZ LYS 61 2HZ LYS 61 -8.000 -10.627 1.828 464 3HZ LYS 61 3HZ LYS 61 -7.207 -9.798 0.599 465 H ASP 62 H ASP 62 -0.198 -9.044 3.398 466 HA ASP 62 HA ASP 62 0.300 -10.049 6.116 467 1HB ASP 62 2HB ASP 62 2.640 -9.406 5.688 468 2HB ASP 62 1HB ASP 62 2.027 -10.478 4.429 469 H GLY 63 H GLY 63 -0.080 -7.111 4.267 470 1HA GLY 63 2HA GLY 63 -0.888 -5.076 5.275 471 2HA GLY 63 1HA GLY 63 -0.137 -5.569 6.791 472 H ALA 64 H ALA 64 1.819 -6.297 4.230 473 HA ALA 64 HA ALA 64 3.241 -3.733 4.320 474 1HB ALA 64 1HB ALA 64 5.380 -5.166 4.285 475 2HB ALA 64 2HB ALA 64 4.345 -6.448 4.916 476 3HB ALA 64 3HB ALA 64 4.534 -4.943 5.817 477 H LEU 65 H LEU 65 4.086 -3.066 2.441 478 HA LEU 65 HA LEU 65 3.722 -4.795 0.090 479 1HB LEU 65 2HB LEU 65 3.130 -2.001 0.635 480 2HB LEU 65 1HB LEU 65 4.054 -2.220 -0.839 481 HG LEU 65 HG LEU 65 2.370 -3.708 -1.719 482 1HD1 LEU 65 1HD1 LEU 65 0.263 -3.291 0.159 483 2HD1 LEU 65 2HD1 LEU 65 1.649 -4.011 0.978 484 3HD1 LEU 65 3HD1 LEU 65 0.947 -4.807 -0.429 485 1HD2 LEU 65 1HD2 LEU 65 2.126 -1.318 -2.088 486 2HD2 LEU 65 2HD2 LEU 65 1.187 -1.177 -0.602 487 3HD2 LEU 65 3HD2 LEU 65 0.551 -2.101 -1.965 488 H THR 66 H THR 66 5.371 -5.207 -1.208 489 HA THR 66 HA THR 66 8.014 -4.181 -0.475 490 HB THR 66 HB THR 66 8.890 -6.081 -1.729 491 HG1 THR 66 HG1 THR 66 6.205 -6.976 -2.057 492 1HG2 THR 66 1HG2 THR 66 7.002 -7.659 -0.274 493 2HG2 THR 66 2HG2 THR 66 7.374 -6.198 0.642 494 3HG2 THR 66 3HG2 THR 66 8.675 -7.278 0.138 495 H LEU 67 H LEU 67 9.555 -3.839 -2.338 496 HA LEU 67 HA LEU 67 8.765 -1.826 -3.993 497 1HB LEU 67 2HB LEU 67 11.104 -3.110 -3.625 498 2HB LEU 67 1HB LEU 67 10.681 -3.737 -5.207 499 HG LEU 67 HG LEU 67 11.027 -0.827 -4.473 500 1HD1 LEU 67 1HD1 LEU 67 12.793 -1.195 -6.404 501 2HD1 LEU 67 2HD1 LEU 67 12.747 -2.854 -5.805 502 3HD1 LEU 67 3HD1 LEU 67 13.183 -1.535 -4.717 503 1HD2 LEU 67 1HD2 LEU 67 9.222 -1.441 -6.198 504 2HD2 LEU 67 2HD2 LEU 67 10.576 -1.874 -7.243 505 3HD2 LEU 67 3HD2 LEU 67 10.420 -0.225 -6.635 506 H ASP 68 H ASP 68 8.343 -5.289 -4.523 507 HA ASP 68 HA ASP 68 7.513 -5.112 -7.234 508 1HB ASP 68 2HB ASP 68 7.972 -7.162 -5.327 509 2HB ASP 68 1HB ASP 68 6.336 -7.367 -5.933 510 H GLU 69 H GLU 69 5.657 -5.573 -4.223 511 HA GLU 69 HA GLU 69 3.104 -5.370 -5.353 512 1HB GLU 69 2HB GLU 69 4.117 -4.611 -2.600 513 2HB GLU 69 1HB GLU 69 2.414 -4.721 -3.030 514 1HG GLU 69 2HG GLU 69 2.460 -7.006 -3.170 515 2HG GLU 69 1HG GLU 69 4.182 -7.066 -3.506 516 H PHE 70 H PHE 70 5.396 -3.005 -4.206 517 HA PHE 70 HA PHE 70 3.894 -0.670 -4.266 518 1HB PHE 70 2HB PHE 70 6.076 -0.612 -3.317 519 2HB PHE 70 1HB PHE 70 6.807 -1.258 -4.775 520 HD1 PHE 70 HD1 PHE 70 8.468 0.484 -4.794 521 HD2 PHE 70 HD2 PHE 70 4.316 1.396 -5.008 522 HE1 PHE 70 HE1 PHE 70 9.009 2.754 -5.565 523 HE2 PHE 70 HE2 PHE 70 4.851 3.674 -5.775 524 HZ PHE 70 HZ PHE 70 7.205 4.356 -6.043 525 H CYS 71 H CYS 71 5.941 -2.058 -6.815 526 HA CYS 71 HA CYS 71 5.347 -0.212 -8.832 527 1HB CYS 71 2HB CYS 71 6.784 -2.645 -8.632 528 2HB CYS 71 1HB CYS 71 5.671 -2.822 -9.987 529 HG CYS 71 HG CYS 71 8.552 -1.592 -10.181 530 H ALA 72 H ALA 72 3.897 -3.401 -8.241 531 HA ALA 72 HA ALA 72 2.003 -3.363 -10.268 532 1HB ALA 72 1HB ALA 72 0.706 -4.700 -8.276 533 2HB ALA 72 2HB ALA 72 2.389 -4.809 -7.758 534 3HB ALA 72 3HB ALA 72 1.916 -5.399 -9.352 535 H ALA 73 H ALA 73 1.680 -2.198 -6.924 536 HA ALA 73 HA ALA 73 -0.983 -1.286 -7.188 537 1HB ALA 73 1HB ALA 73 0.748 -1.566 -5.110 538 2HB ALA 73 2HB ALA 73 -0.785 -0.697 -5.028 539 3HB ALA 73 3HB ALA 73 0.715 0.188 -5.302 540 H PHE 74 H PHE 74 2.114 0.459 -7.334 541 HA PHE 74 HA PHE 74 1.149 3.011 -7.792 542 1HB PHE 74 2HB PHE 74 3.569 2.242 -7.419 543 2HB PHE 74 1HB PHE 74 3.619 1.950 -9.155 544 HD1 PHE 74 HD1 PHE 74 2.757 4.619 -6.706 545 HD2 PHE 74 HD2 PHE 74 4.283 3.654 -10.560 546 HE1 PHE 74 HE1 PHE 74 3.291 6.990 -7.083 547 HE2 PHE 74 HE2 PHE 74 4.821 6.025 -10.943 548 HZ PHE 74 HZ PHE 74 4.327 7.695 -9.201 549 H HIS 75 H HIS 75 2.085 0.604 -10.295 550 HA HIS 75 HA HIS 75 1.347 2.181 -12.498 551 1HB HIS 75 2HB HIS 75 2.354 -0.402 -12.037 552 2HB HIS 75 1HB HIS 75 0.885 -0.623 -12.963 553 HD1 HIS 75 HD1 HIS 75 0.969 1.560 -15.026 554 HD2 HIS 75 HD2 HIS 75 4.369 -0.453 -13.759 555 HE1 HIS 75 HE1 HIS 75 2.693 1.862 -16.852 556 H LEU 76 H LEU 76 -0.464 -0.469 -10.916 557 HA LEU 76 HA LEU 76 -2.772 -0.334 -12.395 558 1HB LEU 76 2HB LEU 76 -2.134 -1.987 -10.605 559 2HB LEU 76 1HB LEU 76 -2.662 -0.804 -9.423 560 HG LEU 76 HG LEU 76 -4.423 -1.959 -11.565 561 1HD1 LEU 76 1HD1 LEU 76 -5.038 -2.702 -8.832 562 2HD1 LEU 76 2HD1 LEU 76 -3.449 -3.276 -9.338 563 3HD1 LEU 76 3HD1 LEU 76 -4.882 -3.713 -10.269 564 1HD2 LEU 76 1HD2 LEU 76 -5.452 0.012 -10.983 565 2HD2 LEU 76 2HD2 LEU 76 -4.825 -0.025 -9.335 566 3HD2 LEU 76 3HD2 LEU 76 -6.152 -1.090 -9.798 567 H VAL 77 H VAL 77 -1.970 1.507 -9.454 568 HA VAL 77 HA VAL 77 -4.336 2.918 -9.163 569 HB VAL 77 HB VAL 77 -1.517 3.875 -8.649 570 1HG1 VAL 77 1HG1 VAL 77 -4.130 4.992 -7.629 571 2HG1 VAL 77 2HG1 VAL 77 -3.072 5.761 -8.812 572 3HG1 VAL 77 3HG1 VAL 77 -2.520 5.526 -7.153 573 1HG2 VAL 77 1HG2 VAL 77 -2.944 1.840 -7.448 574 2HG2 VAL 77 2HG2 VAL 77 -3.191 3.211 -6.368 575 3HG2 VAL 77 3HG2 VAL 77 -1.555 2.684 -6.761 576 H VAL 78 H VAL 78 -1.576 3.598 -11.250 577 HA VAL 78 HA VAL 78 -2.143 6.104 -12.193 578 HB VAL 78 HB VAL 78 -1.159 3.721 -13.764 579 1HG1 VAL 78 1HG1 VAL 78 -1.633 6.506 -14.541 580 2HG1 VAL 78 2HG1 VAL 78 -1.450 5.059 -15.534 581 3HG1 VAL 78 3HG1 VAL 78 -0.023 5.896 -14.928 582 1HG2 VAL 78 1HG2 VAL 78 1.035 5.131 -13.356 583 2HG2 VAL 78 2HG2 VAL 78 0.444 3.975 -12.161 584 3HG2 VAL 78 3HG2 VAL 78 0.126 5.698 -11.955 585 H ALA 79 H ALA 79 -3.667 3.065 -13.194 586 HA ALA 79 HA ALA 79 -5.113 4.048 -15.396 587 1HB ALA 79 1HB ALA 79 -4.665 1.641 -14.723 588 2HB ALA 79 2HB ALA 79 -6.265 2.005 -15.374 589 3HB ALA 79 3HB ALA 79 -6.044 1.806 -13.635 590 H ARG 80 H ARG 80 -6.054 3.766 -11.983 591 HA ARG 80 HA ARG 80 -8.733 4.407 -12.158 592 1HB ARG 80 2HB ARG 80 -7.150 3.879 -10.093 593 2HB ARG 80 1HB ARG 80 -7.151 5.632 -9.944 594 1HG ARG 80 2HG ARG 80 -9.820 4.618 -10.339 595 2HG ARG 80 1HG ARG 80 -9.044 3.859 -8.953 596 1HD ARG 80 2HD ARG 80 -10.229 5.834 -8.235 597 2HD ARG 80 1HD ARG 80 -8.500 6.091 -8.067 598 HE ARG 80 HE ARG 80 -9.069 7.156 -10.491 599 1HH1 ARG 80 2HH1 ARG 80 -10.497 7.493 -7.391 600 2HH1 ARG 80 1HH1 ARG 80 -10.839 9.175 -7.581 601 1HH2 ARG 80 1HH2 ARG 80 -9.521 9.339 -10.789 602 2HH2 ARG 80 2HH2 ARG 80 -10.275 10.229 -9.514 603 H LYS 81 H LYS 81 -5.991 6.443 -12.645 604 HA LYS 81 HA LYS 81 -7.285 8.933 -12.211 605 1HB LYS 81 2HB LYS 81 -4.925 8.465 -14.035 606 2HB LYS 81 1HB LYS 81 -5.342 9.935 -13.159 607 1HG LYS 81 2HG LYS 81 -4.882 8.819 -11.041 608 2HG LYS 81 1HG LYS 81 -4.495 7.330 -11.903 609 1HD LYS 81 2HD LYS 81 -2.419 8.334 -11.403 610 2HD LYS 81 1HD LYS 81 -2.705 8.661 -13.113 611 1HE LYS 81 2HE LYS 81 -3.541 10.908 -12.509 612 2HE LYS 81 1HE LYS 81 -3.169 10.569 -10.819 613 1HZ LYS 81 1HZ LYS 81 -1.230 11.535 -11.329 614 2HZ LYS 81 2HZ LYS 81 -1.390 11.277 -12.992 615 3HZ LYS 81 3HZ LYS 81 -0.823 10.033 -11.994 616 H ASN 82 H ASN 82 -7.198 6.720 -14.896 617 HA ASN 82 HA ASN 82 -8.576 8.718 -16.563 618 1HB ASN 82 2HB ASN 82 -7.055 6.241 -17.373 619 2HB ASN 82 1HB ASN 82 -8.004 7.223 -18.490 620 1HD2 ASN 82 1HD2 ASN 82 -4.982 6.652 -17.605 621 2HD2 ASN 82 2HD2 ASN 82 -4.278 8.208 -17.854 622 H GLY 83 H GLY 83 -8.976 5.554 -15.099 623 1HA GLY 83 2HA GLY 83 -11.794 5.664 -15.854 624 2HA GLY 83 1HA GLY 83 -10.895 4.272 -16.435 625 H TYR 84 H TYR 84 -12.270 2.883 -15.232 626 HA TYR 84 HA TYR 84 -11.394 2.590 -12.477 627 1HB TYR 84 2HB TYR 84 -14.351 2.657 -13.054 628 2HB TYR 84 1HB TYR 84 -13.552 2.615 -11.487 629 HD1 TYR 84 HD1 TYR 84 -12.925 4.622 -10.389 630 HD2 TYR 84 HD2 TYR 84 -14.220 4.742 -14.440 631 HE1 TYR 84 HE1 TYR 84 -13.071 7.074 -10.265 632 HE2 TYR 84 HE2 TYR 84 -14.362 7.193 -14.331 633 HH TYR 84 HH TYR 84 -14.604 8.907 -11.757 634 H ASP 85 H ASP 85 -10.760 0.945 -14.582 635 HA ASP 85 HA ASP 85 -12.564 -1.273 -14.776 636 1HB ASP 85 2HB ASP 85 -10.764 -0.596 -16.470 637 2HB ASP 85 1HB ASP 85 -9.608 -1.351 -15.375 638 H LEU 86 H LEU 86 -10.625 -3.445 -14.384 639 HA LEU 86 HA LEU 86 -10.225 -4.926 -12.669 640 1HB LEU 86 2HB LEU 86 -8.895 -2.444 -11.587 641 2HB LEU 86 1HB LEU 86 -8.615 -4.070 -10.993 642 HG LEU 86 HG LEU 86 -8.164 -4.190 -13.760 643 1HD1 LEU 86 1HD1 LEU 86 -7.088 -1.683 -12.517 644 2HD1 LEU 86 2HD1 LEU 86 -7.950 -1.879 -14.042 645 3HD1 LEU 86 3HD1 LEU 86 -6.294 -2.465 -13.885 646 1HD2 LEU 86 1HD2 LEU 86 -5.937 -3.896 -11.794 647 2HD2 LEU 86 2HD2 LEU 86 -6.106 -5.015 -13.146 648 3HD2 LEU 86 3HD2 LEU 86 -7.036 -5.271 -11.670 649 HA PRO 87 HA PRO 87 -13.675 -3.162 -9.999 650 1HB PRO 87 2HB PRO 87 -15.457 -5.156 -10.487 651 2HB PRO 87 1HB PRO 87 -15.323 -3.708 -11.493 652 1HG PRO 87 2HG PRO 87 -14.167 -6.436 -11.941 653 2HG PRO 87 1HG PRO 87 -14.991 -5.370 -13.095 654 1HD PRO 87 2HD PRO 87 -12.306 -5.576 -13.014 655 2HD PRO 87 1HD PRO 87 -13.122 -4.045 -13.401 656 H GLU 88 H GLU 88 -15.271 -5.155 -8.828 657 HA GLU 88 HA GLU 88 -13.609 -5.986 -6.684 658 1HB GLU 88 2HB GLU 88 -16.438 -6.786 -7.357 659 2HB GLU 88 1HB GLU 88 -15.650 -7.007 -5.801 660 1HG GLU 88 2HG GLU 88 -15.491 -4.627 -5.496 661 2HG GLU 88 1HG GLU 88 -16.143 -4.344 -7.109 662 H LYS 89 H LYS 89 -12.368 -7.207 -8.766 663 HA LYS 89 HA LYS 89 -13.349 -9.956 -8.844 664 1HB LYS 89 2HB LYS 89 -11.869 -8.309 -10.637 665 2HB LYS 89 1HB LYS 89 -10.894 -9.722 -10.241 666 1HG LYS 89 2HG LYS 89 -13.477 -10.692 -10.680 667 2HG LYS 89 1HG LYS 89 -13.180 -9.510 -11.959 668 1HD LYS 89 2HD LYS 89 -11.157 -10.636 -12.597 669 2HD LYS 89 1HD LYS 89 -11.298 -11.746 -11.230 670 1HE LYS 89 2HE LYS 89 -13.029 -11.567 -13.683 671 2HE LYS 89 1HE LYS 89 -12.080 -12.939 -13.111 672 1HZ LYS 89 1HZ LYS 89 -13.660 -13.530 -11.629 673 2HZ LYS 89 2HZ LYS 89 -14.686 -12.718 -12.701 674 3HZ LYS 89 3HZ LYS 89 -14.135 -11.937 -11.306 675 H LEU 90 H LEU 90 -12.268 -8.893 -6.372 676 HA LEU 90 HA LEU 90 -9.644 -9.968 -5.978 677 1HB LEU 90 2HB LEU 90 -10.598 -8.106 -4.625 678 2HB LEU 90 1HB LEU 90 -11.713 -9.252 -3.904 679 HG LEU 90 HG LEU 90 -9.813 -10.514 -2.975 680 1HD1 LEU 90 1HD1 LEU 90 -7.698 -8.730 -3.097 681 2HD1 LEU 90 2HD1 LEU 90 -8.329 -8.766 -4.743 682 3HD1 LEU 90 3HD1 LEU 90 -7.832 -10.264 -3.956 683 1HD2 LEU 90 1HD2 LEU 90 -8.987 -8.112 -1.774 684 2HD2 LEU 90 2HD2 LEU 90 -10.203 -9.251 -1.192 685 3HD2 LEU 90 3HD2 LEU 90 -10.681 -7.892 -2.210 686 HA PRO 91 HA PRO 91 -11.356 -14.117 -5.488 687 1HB PRO 91 2HB PRO 91 -9.097 -15.467 -5.962 688 2HB PRO 91 1HB PRO 91 -9.993 -14.678 -7.270 689 1HG PRO 91 2HG PRO 91 -7.553 -13.736 -5.809 690 2HG PRO 91 1HG PRO 91 -7.899 -13.692 -7.547 691 1HD PRO 91 2HD PRO 91 -8.215 -11.541 -5.875 692 2HD PRO 91 1HD PRO 91 -9.136 -11.769 -7.373 693 H GLU 92 H GLU 92 -8.138 -13.335 -4.147 694 HA GLU 92 HA GLU 92 -8.075 -15.244 -2.148 695 1HB GLU 92 2HB GLU 92 -6.336 -13.379 -2.937 696 2HB GLU 92 1HB GLU 92 -6.937 -12.578 -1.488 697 1HG GLU 92 2HG GLU 92 -4.969 -13.844 -0.945 698 2HG GLU 92 1HG GLU 92 -6.371 -14.588 -0.179 699 H SER 93 H SER 93 -9.619 -12.058 -2.064 700 HA SER 93 HA SER 93 -11.089 -12.955 0.297 701 1HB SER 93 2HB SER 93 -9.758 -10.243 0.183 702 2HB SER 93 1HB SER 93 -10.753 -10.876 1.499 703 HG SER 93 HG SER 93 -9.032 -12.715 1.247 704 H LEU 94 H LEU 94 -13.183 -12.463 0.222 705 HA LEU 94 HA LEU 94 -14.075 -10.739 -1.967 706 1HB LEU 94 2HB LEU 94 -15.659 -12.755 -0.372 707 2HB LEU 94 1HB LEU 94 -16.230 -11.861 -1.770 708 HG LEU 94 HG LEU 94 -14.253 -12.998 -3.013 709 1HD1 LEU 94 1HD1 LEU 94 -13.514 -13.935 -0.655 710 2HD1 LEU 94 2HD1 LEU 94 -13.263 -14.851 -2.138 711 3HD1 LEU 94 3HD1 LEU 94 -14.630 -15.226 -1.089 712 1HD2 LEU 94 1HD2 LEU 94 -16.942 -13.926 -2.365 713 2HD2 LEU 94 2HD2 LEU 94 -15.856 -15.203 -2.913 714 3HD2 LEU 94 3HD2 LEU 94 -16.128 -13.785 -3.923 715 H MET 95 H MET 95 -13.072 -9.388 0.085 716 HA MET 95 HA MET 95 -14.605 -8.679 2.247 717 1HB MET 95 2HB MET 95 -12.357 -7.611 0.867 718 2HB MET 95 1HB MET 95 -13.454 -6.286 1.219 719 1HG MET 95 2HG MET 95 -13.415 -7.678 3.581 720 2HG MET 95 1HG MET 95 -11.759 -7.848 2.996 721 1HE MET 95 1HE MET 95 -11.624 -5.175 1.258 722 2HE MET 95 2HE MET 95 -10.249 -5.598 2.281 723 3HE MET 95 3HE MET 95 -10.949 -3.980 2.366 724 HA PRO 96 HA PRO 96 -18.292 -6.843 0.667 725 1HB PRO 96 2HB PRO 96 -18.929 -5.362 2.886 726 2HB PRO 96 1HB PRO 96 -19.226 -7.097 2.733 727 1HG PRO 96 2HG PRO 96 -16.981 -5.675 4.104 728 2HG PRO 96 1HG PRO 96 -17.900 -7.094 4.637 729 1HD PRO 96 2HD PRO 96 -15.444 -7.318 3.561 730 2HD PRO 96 1HD PRO 96 -16.705 -8.536 3.282 731 H LYS 97 HN LYS 97 -16.854 -5.579 -0.853 732 HA LYS 97 HA LYS 97 -16.441 -2.814 0.003 733 1HB LYS 97 2HB LYS 97 -15.339 -4.491 -2.197 734 2HB LYS 97 1HB LYS 97 -15.422 -2.756 -2.451 735 1HG LYS 97 2HG LYS 97 -14.055 -4.026 -0.090 736 2HG LYS 97 1HG LYS 97 -13.236 -3.618 -1.596 737 1HD LYS 97 2HD LYS 97 -12.820 -1.790 -0.188 738 2HD LYS 97 1HD LYS 97 -14.127 -1.246 -1.238 739 1HE LYS 97 2HE LYS 97 -15.698 -2.015 0.629 740 2HE LYS 97 1HE LYS 97 -14.261 -2.104 1.637 741 1HZ LYS 97 1HZ LYS 97 -15.805 0.104 1.200 742 2HZ LYS 97 2HZ LYS 97 -14.441 0.376 0.236 743 3HZ LYS 97 3HZ LYS 97 -14.261 0.086 1.895 Start of MODEL 13 1 1H TRP 6 1H TRP 6 -1.580 -2.421 -20.406 2 2H TRP 6 2H TRP 6 -1.042 -1.788 -21.882 3 3H TRP 6 3H TRP 6 -2.398 -1.122 -21.120 4 HA TRP 6 HA TRP 6 -0.105 0.053 -20.953 5 1HB TRP 6 2HB TRP 6 -0.846 0.894 -18.704 6 2HB TRP 6 1HB TRP 6 -2.114 0.884 -19.926 7 HD1 TRP 6 HD1 TRP 6 -3.774 -1.410 -19.784 8 HE1 TRP 6 HE1 TRP 6 -4.738 -2.511 -17.666 9 HE3 TRP 6 HE3 TRP 6 -0.530 0.501 -16.325 10 HZ2 TRP 6 HZ2 TRP 6 -4.202 -2.553 -14.896 11 HZ3 TRP 6 HZ3 TRP 6 -0.833 -0.114 -13.958 12 HH2 TRP 6 HH2 TRP 6 -2.630 -1.607 -13.263 13 H LYS 7 H LYS 7 1.362 -2.024 -21.069 14 HA LYS 7 HA LYS 7 2.020 -3.288 -18.608 15 1HB LYS 7 2HB LYS 7 3.065 -3.342 -21.372 16 2HB LYS 7 1HB LYS 7 4.211 -3.767 -20.106 17 1HG LYS 7 2HG LYS 7 2.484 -5.402 -19.267 18 2HG LYS 7 1HG LYS 7 1.602 -5.102 -20.764 19 1HD LYS 7 2HD LYS 7 4.441 -6.115 -20.572 20 2HD LYS 7 1HD LYS 7 3.022 -7.110 -20.895 21 1HE LYS 7 2HE LYS 7 2.605 -5.705 -22.920 22 2HE LYS 7 1HE LYS 7 4.156 -4.919 -22.623 23 1HZ LYS 7 1HZ LYS 7 5.318 -6.789 -23.185 24 2HZ LYS 7 2HZ LYS 7 3.986 -6.959 -24.215 25 3HZ LYS 7 3HZ LYS 7 4.062 -7.847 -22.777 26 H ILE 8 H ILE 8 3.558 -2.859 -17.119 27 HA ILE 8 HA ILE 8 4.493 -0.262 -16.752 28 HB ILE 8 HB ILE 8 5.762 -2.757 -15.623 29 1HG1 ILE 8 2HG1 ILE 8 3.498 -1.106 -14.486 30 2HG1 ILE 8 1HG1 ILE 8 3.306 -2.682 -15.240 31 1HG2 ILE 8 1HG2 ILE 8 6.381 -1.264 -13.764 32 2HG2 ILE 8 2HG2 ILE 8 5.706 0.098 -14.658 33 3HG2 ILE 8 3HG2 ILE 8 7.103 -0.771 -15.296 34 1HD1 ILE 8 1HD1 ILE 8 5.285 -2.616 -13.099 35 2HD1 ILE 8 2HD1 ILE 8 3.981 -3.764 -13.404 36 3HD1 ILE 8 3HD1 ILE 8 3.642 -2.240 -12.582 37 H THR 9 H THR 9 6.330 0.811 -17.268 38 HA THR 9 HA THR 9 8.340 -0.631 -18.884 39 HB THR 9 HB THR 9 7.883 2.334 -19.112 40 HG1 THR 9 HG1 THR 9 6.102 0.503 -19.784 41 1HG2 THR 9 1HG2 THR 9 9.841 0.703 -20.083 42 2HG2 THR 9 2HG2 THR 9 9.366 2.243 -20.799 43 3HG2 THR 9 3HG2 THR 9 8.701 0.735 -21.428 44 H ASP 10 H ASP 10 10.455 -0.418 -18.306 45 HA ASP 10 HA ASP 10 11.236 0.114 -15.781 46 1HB ASP 10 2HB ASP 10 12.614 -0.890 -17.644 47 2HB ASP 10 1HB ASP 10 13.010 0.757 -18.130 48 H GLU 11 H GLU 11 11.091 2.584 -18.382 49 HA GLU 11 HA GLU 11 12.258 4.692 -17.016 50 1HB GLU 11 2HB GLU 11 10.291 4.413 -19.189 51 2HB GLU 11 1HB GLU 11 10.218 5.934 -18.323 52 1HG GLU 11 2HG GLU 11 12.775 6.011 -18.729 53 2HG GLU 11 1HG GLU 11 12.438 4.803 -19.968 54 H GLN 12 H GLN 12 8.780 3.905 -17.148 55 HA GLN 12 HA GLN 12 7.994 5.675 -15.116 56 1HB GLN 12 2HB GLN 12 6.748 3.147 -16.206 57 2HB GLN 12 1HB GLN 12 5.943 4.221 -15.082 58 1HG GLN 12 2HG GLN 12 6.230 6.063 -16.752 59 2HG GLN 12 1HG GLN 12 6.817 4.843 -17.885 60 1HE2 GLN 12 1HE2 GLN 12 5.313 4.294 -19.278 61 2HE2 GLN 12 2HE2 GLN 12 3.631 4.105 -18.933 62 H ARG 13 H ARG 13 9.209 2.385 -15.150 63 HA ARG 13 HA ARG 13 8.563 1.568 -12.554 64 1HB ARG 13 2HB ARG 13 9.521 -0.014 -14.119 65 2HB ARG 13 1HB ARG 13 10.992 0.946 -14.242 66 1HG ARG 13 2HG ARG 13 11.396 0.520 -11.809 67 2HG ARG 13 1HG ARG 13 10.032 -0.597 -11.837 68 1HD ARG 13 2HD ARG 13 11.778 -1.224 -13.999 69 2HD ARG 13 1HD ARG 13 12.726 -1.112 -12.521 70 HE ARG 13 HE ARG 13 11.107 -3.247 -13.249 71 1HH1 ARG 13 2HH1 ARG 13 11.546 -1.268 -10.432 72 2HH1 ARG 13 1HH1 ARG 13 11.084 -2.519 -9.345 73 1HH2 ARG 13 1HH2 ARG 13 10.480 -4.853 -11.819 74 2HH2 ARG 13 2HH2 ARG 13 10.448 -4.530 -10.124 75 H GLN 14 H GLN 14 11.554 3.077 -13.738 76 HA GLN 14 HA GLN 14 12.592 3.468 -11.122 77 1HB GLN 14 2HB GLN 14 14.376 4.677 -12.217 78 2HB GLN 14 1HB GLN 14 14.014 3.226 -13.134 79 1HG GLN 14 2HG GLN 14 14.233 4.769 -14.805 80 2HG GLN 14 1HG GLN 14 12.495 4.819 -14.519 81 1HE2 GLN 14 1HE2 GLN 14 11.702 6.795 -14.498 82 2HE2 GLN 14 2HE2 GLN 14 12.524 8.218 -13.959 83 H TYR 15 H TYR 15 10.771 5.426 -13.394 84 HA TYR 15 HA TYR 15 11.073 7.938 -12.320 85 1HB TYR 15 2HB TYR 15 9.704 7.395 -14.341 86 2HB TYR 15 1HB TYR 15 8.443 6.785 -13.270 87 HD1 TYR 15 HD1 TYR 15 6.826 8.242 -12.414 88 HD2 TYR 15 HD2 TYR 15 10.426 9.841 -14.026 89 HE1 TYR 15 HE1 TYR 15 5.904 10.514 -12.208 90 HE2 TYR 15 HE2 TYR 15 9.517 12.115 -13.822 91 HH TYR 15 HH TYR 15 7.859 13.332 -12.661 92 H TYR 16 H TYR 16 8.931 5.331 -11.220 93 HA TYR 16 HA TYR 16 7.725 6.868 -9.136 94 1HB TYR 16 2HB TYR 16 8.008 3.860 -9.263 95 2HB TYR 16 1HB TYR 16 6.845 4.768 -8.305 96 HD1 TYR 16 HD1 TYR 16 6.198 6.761 -10.651 97 HD2 TYR 16 HD2 TYR 16 6.370 2.518 -10.337 98 HE1 TYR 16 HE1 TYR 16 4.588 6.562 -12.500 99 HE2 TYR 16 HE2 TYR 16 4.761 2.309 -12.186 100 HH TYR 16 HH TYR 16 4.052 4.749 -14.283 101 H VAL 17 H VAL 17 10.168 4.270 -9.045 102 HA VAL 17 HA VAL 17 10.736 4.325 -6.347 103 HB VAL 17 HB VAL 17 12.734 3.814 -8.549 104 1HG1 VAL 17 1HG1 VAL 17 13.142 3.977 -5.819 105 2HG1 VAL 17 2HG1 VAL 17 14.185 3.161 -6.985 106 3HG1 VAL 17 3HG1 VAL 17 12.951 2.249 -6.116 107 1HG2 VAL 17 1HG2 VAL 17 11.086 2.304 -9.062 108 2HG2 VAL 17 2HG2 VAL 17 10.526 2.186 -7.394 109 3HG2 VAL 17 3HG2 VAL 17 12.014 1.377 -7.883 110 H ASN 18 H ASN 18 11.910 6.516 -8.857 111 HA ASN 18 HA ASN 18 14.064 7.689 -7.728 112 1HB ASN 18 2HB ASN 18 11.795 8.705 -9.349 113 2HB ASN 18 1HB ASN 18 12.871 9.886 -8.629 114 1HD2 ASN 18 1HD2 ASN 18 14.428 10.507 -9.924 115 2HD2 ASN 18 2HD2 ASN 18 15.192 9.536 -11.132 116 H GLN 19 H GLN 19 10.695 8.158 -6.730 117 HA GLN 19 HA GLN 19 11.604 9.972 -4.605 118 1HB GLN 19 2HB GLN 19 8.815 9.283 -5.528 119 2HB GLN 19 1HB GLN 19 9.211 10.419 -4.246 120 1HG GLN 19 2HG GLN 19 10.725 11.266 -6.403 121 2HG GLN 19 1HG GLN 19 9.189 10.781 -7.114 122 1HE2 GLN 19 1HE2 GLN 19 8.037 11.563 -4.295 123 2HE2 GLN 19 2HE2 GLN 19 7.848 13.267 -4.451 124 H PHE 20 H PHE 20 9.417 7.177 -4.959 125 HA PHE 20 HA PHE 20 9.055 6.665 -2.257 126 1HB PHE 20 2HB PHE 20 8.621 5.219 -4.738 127 2HB PHE 20 1HB PHE 20 8.962 4.159 -3.373 128 HD1 PHE 20 HD1 PHE 20 7.105 3.379 -2.286 129 HD2 PHE 20 HD2 PHE 20 7.025 7.290 -3.960 130 HE1 PHE 20 HE1 PHE 20 4.806 3.679 -1.467 131 HE2 PHE 20 HE2 PHE 20 4.726 7.594 -3.146 132 HZ PHE 20 HZ PHE 20 3.623 5.791 -1.895 133 H LYS 21 H LYS 21 11.756 5.981 -4.312 134 HA LYS 21 HA LYS 21 13.087 3.932 -3.133 135 1HB LYS 21 2HB LYS 21 15.195 5.058 -3.748 136 2HB LYS 21 1HB LYS 21 13.999 5.145 -5.032 137 1HG LYS 21 2HG LYS 21 15.025 7.260 -4.942 138 2HG LYS 21 1HG LYS 21 13.440 7.458 -4.197 139 1HD LYS 21 2HD LYS 21 14.559 7.162 -1.968 140 2HD LYS 21 1HD LYS 21 16.103 7.219 -2.811 141 1HE LYS 21 2HE LYS 21 15.845 9.445 -3.405 142 2HE LYS 21 1HE LYS 21 14.095 9.400 -3.196 143 1HZ LYS 21 1HZ LYS 21 15.958 10.296 -1.377 144 2HZ LYS 21 2HZ LYS 21 15.426 8.816 -0.758 145 3HZ LYS 21 3HZ LYS 21 14.311 10.037 -1.095 146 H THR 22 H THR 22 12.479 7.080 -1.754 147 HA THR 22 HA THR 22 14.396 7.121 0.295 148 HB THR 22 HB THR 22 11.558 8.156 0.506 149 HG1 THR 22 HG1 THR 22 12.311 9.261 -1.193 150 1HG2 THR 22 1HG2 THR 22 13.024 9.894 1.908 151 2HG2 THR 22 2HG2 THR 22 14.023 8.459 2.131 152 3HG2 THR 22 3HG2 THR 22 12.334 8.440 2.632 153 H ILE 23 H ILE 23 11.229 5.667 0.095 154 HA ILE 23 HA ILE 23 11.587 4.395 2.712 155 HB ILE 23 HB ILE 23 9.115 4.528 0.985 156 1HG1 ILE 23 2HG1 ILE 23 9.864 6.132 3.441 157 2HG1 ILE 23 1HG1 ILE 23 9.796 6.750 1.793 158 1HG2 ILE 23 1HG2 ILE 23 9.300 3.807 3.898 159 2HG2 ILE 23 2HG2 ILE 23 9.365 2.604 2.608 160 3HG2 ILE 23 3HG2 ILE 23 7.929 3.609 2.807 161 1HD1 ILE 23 1HD1 ILE 23 7.810 7.444 2.818 162 2HD1 ILE 23 2HD1 ILE 23 7.532 5.859 3.541 163 3HD1 ILE 23 3HD1 ILE 23 7.355 6.078 1.800 164 H GLN 24 H GLN 24 10.873 3.673 -0.689 165 HA GLN 24 HA GLN 24 11.511 0.862 -0.165 166 1HB GLN 24 2HB GLN 24 9.173 1.952 -1.206 167 2HB GLN 24 1HB GLN 24 10.035 1.323 -2.601 168 1HG GLN 24 2HG GLN 24 8.620 -0.405 -1.793 169 2HG GLN 24 1HG GLN 24 10.278 -0.839 -1.365 170 1HE2 GLN 24 1HE2 GLN 24 10.962 -0.058 0.843 171 2HE2 GLN 24 2HE2 GLN 24 9.806 -0.211 2.113 172 HA PRO 25 HA PRO 25 14.664 2.593 -3.144 173 1HB PRO 25 2HB PRO 25 16.787 1.306 -2.027 174 2HB PRO 25 1HB PRO 25 16.232 2.898 -1.502 175 1HG PRO 25 2HG PRO 25 15.691 0.209 -0.296 176 2HG PRO 25 1HG PRO 25 16.101 1.736 0.510 177 1HD PRO 25 2HD PRO 25 13.566 0.814 0.382 178 2HD PRO 25 1HD PRO 25 13.944 2.550 0.344 179 H ASP 26 H ASP 26 14.964 -0.668 -1.730 180 HA ASP 26 HA ASP 26 14.623 -1.863 -4.366 181 1HB ASP 26 2HB ASP 26 17.087 -1.483 -3.827 182 2HB ASP 26 1HB ASP 26 16.889 -2.666 -2.541 183 H LEU 27 H LEU 27 14.905 -4.430 -3.881 184 HA LEU 27 HA LEU 27 12.667 -5.152 -2.303 185 1HB LEU 27 2HB LEU 27 14.840 -6.842 -3.507 186 2HB LEU 27 1HB LEU 27 13.365 -7.478 -2.806 187 HG LEU 27 HG LEU 27 13.590 -5.746 -5.270 188 1HD1 LEU 27 1HD1 LEU 27 13.643 -8.562 -4.854 189 2HD1 LEU 27 2HD1 LEU 27 13.690 -7.667 -6.374 190 3HD1 LEU 27 3HD1 LEU 27 12.140 -8.142 -5.675 191 1HD2 LEU 27 1HD2 LEU 27 11.625 -5.005 -4.247 192 2HD2 LEU 27 2HD2 LEU 27 11.222 -6.614 -3.648 193 3HD2 LEU 27 3HD2 LEU 27 11.078 -6.253 -5.368 194 H ASN 28 H ASN 28 13.826 -3.918 -0.457 195 HA ASN 28 HA ASN 28 14.745 -5.939 1.432 196 1HB ASN 28 2HB ASN 28 16.753 -4.791 0.443 197 2HB ASN 28 1HB ASN 28 16.164 -3.286 1.135 198 1HD2 ASN 28 1HD2 ASN 28 18.257 -5.689 1.573 199 2HD2 ASN 28 2HD2 ASN 28 18.419 -5.652 3.292 200 H GLY 29 H GLY 29 13.693 -2.623 0.853 201 1HA GLY 29 2HA GLY 29 12.617 -2.455 3.580 202 2HA GLY 29 1HA GLY 29 12.778 -1.116 2.447 203 H PHE 30 H PHE 30 10.464 -2.417 4.020 204 HA PHE 30 HA PHE 30 8.603 -2.638 1.717 205 1HB PHE 30 2HB PHE 30 8.340 -4.043 4.382 206 2HB PHE 30 1HB PHE 30 7.299 -4.240 2.974 207 HD1 PHE 30 HD1 PHE 30 7.820 -5.805 1.308 208 HD2 PHE 30 HD2 PHE 30 10.755 -4.757 4.209 209 HE1 PHE 30 HE1 PHE 30 9.261 -7.632 0.507 210 HE2 PHE 30 HE2 PHE 30 12.201 -6.580 3.409 211 HZ PHE 30 HZ PHE 30 11.454 -8.019 1.556 212 H ILE 31 H ILE 31 6.843 -1.384 1.720 213 HA ILE 31 HA ILE 31 6.564 0.591 3.839 214 HB ILE 31 HB ILE 31 5.410 0.300 1.087 215 1HG1 ILE 31 2HG1 ILE 31 6.816 2.636 2.363 216 2HG1 ILE 31 1HG1 ILE 31 7.680 1.345 1.531 217 1HG2 ILE 31 1HG2 ILE 31 4.558 2.749 2.203 218 2HG2 ILE 31 2HG2 ILE 31 4.067 1.461 3.302 219 3HG2 ILE 31 3HG2 ILE 31 3.573 1.412 1.610 220 1HD1 ILE 31 1HD1 ILE 31 7.387 3.204 0.042 221 2HD1 ILE 31 2HD1 ILE 31 5.649 3.216 0.343 222 3HD1 ILE 31 3HD1 ILE 31 6.387 1.860 -0.513 223 HA PRO 32 HA PRO 32 3.220 -1.818 5.652 224 1HB PRO 32 2HB PRO 32 2.656 -0.017 7.625 225 2HB PRO 32 1HB PRO 32 3.979 -1.183 7.732 226 1HG PRO 32 2HG PRO 32 4.059 1.712 6.982 227 2HG PRO 32 1HG PRO 32 5.172 0.789 8.009 228 1HD PRO 32 2HD PRO 32 5.745 1.402 5.435 229 2HD PRO 32 1HD PRO 32 6.304 -0.099 6.203 230 H GLY 33 H GLY 33 0.948 -1.641 5.484 231 1HA GLY 33 2HA GLY 33 -0.164 -0.079 3.527 232 2HA GLY 33 1HA GLY 33 -1.089 -0.669 4.902 233 H SER 34 H SER 34 0.416 0.818 6.854 234 HA SER 34 HA SER 34 -1.077 3.142 7.055 235 1HB SER 34 2HB SER 34 1.697 2.879 8.198 236 2HB SER 34 1HB SER 34 0.285 3.668 8.904 237 HG SER 34 HG SER 34 0.666 1.649 9.879 238 H ALA 35 H ALA 35 2.240 2.697 5.806 239 HA ALA 35 HA ALA 35 2.562 5.467 5.153 240 1HB ALA 35 1HB ALA 35 4.547 4.281 5.602 241 2HB ALA 35 2HB ALA 35 4.567 4.610 3.870 242 3HB ALA 35 3HB ALA 35 4.135 3.004 4.458 243 H ALA 36 H ALA 36 1.861 2.531 3.261 244 HA ALA 36 HA ALA 36 1.855 3.691 0.726 245 1HB ALA 36 1HB ALA 36 1.547 1.500 0.365 246 2HB ALA 36 2HB ALA 36 -0.171 1.836 0.571 247 3HB ALA 36 3HB ALA 36 0.784 1.259 1.937 248 H LYS 37 H LYS 37 -0.916 3.226 2.935 249 HA LYS 37 HA LYS 37 -2.779 4.601 1.375 250 1HB LYS 37 2HB LYS 37 -2.573 3.589 4.121 251 2HB LYS 37 1HB LYS 37 -3.663 4.948 3.925 252 1HG LYS 37 2HG LYS 37 -5.036 3.794 2.426 253 2HG LYS 37 1HG LYS 37 -3.802 2.574 2.109 254 1HD LYS 37 2HD LYS 37 -4.068 1.711 4.380 255 2HD LYS 37 1HD LYS 37 -5.288 2.946 4.709 256 1HE LYS 37 2HE LYS 37 -6.775 2.019 3.097 257 2HE LYS 37 1HE LYS 37 -5.531 0.926 2.490 258 1HZ LYS 37 1HZ LYS 37 -5.741 -0.457 4.281 259 2HZ LYS 37 2HZ LYS 37 -7.337 0.084 4.132 260 3HZ LYS 37 3HZ LYS 37 -6.327 0.755 5.310 261 H GLU 38 H GLU 38 -0.614 5.748 3.966 262 HA GLU 38 HA GLU 38 -1.559 8.392 4.073 263 1HB GLU 38 2HB GLU 38 0.610 6.923 5.155 264 2HB GLU 38 1HB GLU 38 1.287 8.349 4.388 265 1HG GLU 38 2HG GLU 38 -1.023 9.079 5.915 266 2HG GLU 38 1HG GLU 38 0.106 8.163 6.917 267 H PHE 39 H PHE 39 1.031 6.936 2.127 268 HA PHE 39 HA PHE 39 1.774 9.287 0.766 269 1HB PHE 39 2HB PHE 39 2.609 6.618 0.870 270 2HB PHE 39 1HB PHE 39 2.154 6.891 -0.803 271 HD1 PHE 39 HD1 PHE 39 3.133 9.029 -1.924 272 HD2 PHE 39 HD2 PHE 39 4.711 7.232 1.599 273 HE1 PHE 39 HE1 PHE 39 5.290 10.148 -2.320 274 HE2 PHE 39 HE2 PHE 39 6.867 8.351 1.208 275 HZ PHE 39 HZ PHE 39 7.158 9.813 -0.752 276 H PHE 40 H PHE 40 -0.191 6.522 -0.337 277 HA PHE 40 HA PHE 40 -0.919 7.647 -2.792 278 1HB PHE 40 2HB PHE 40 -2.139 5.479 -1.107 279 2HB PHE 40 1HB PHE 40 -2.877 5.987 -2.621 280 HD1 PHE 40 HD1 PHE 40 -0.006 4.310 -1.094 281 HD2 PHE 40 HD2 PHE 40 -1.827 5.528 -4.741 282 HE1 PHE 40 HE1 PHE 40 1.526 2.849 -2.337 283 HE2 PHE 40 HE2 PHE 40 -0.300 4.060 -5.994 284 HZ PHE 40 HZ PHE 40 1.379 2.719 -4.792 285 H THR 41 H THR 41 -2.760 7.558 0.276 286 HA THR 41 HA THR 41 -5.059 8.821 -0.518 287 HB THR 41 HB THR 41 -3.563 9.307 2.071 288 HG1 THR 41 HG1 THR 41 -4.182 7.296 2.347 289 1HG2 THR 41 1HG2 THR 41 -6.300 9.589 2.501 290 2HG2 THR 41 2HG2 THR 41 -5.987 10.481 1.013 291 3HG2 THR 41 3HG2 THR 41 -5.097 10.878 2.482 292 H LYS 42 H LYS 42 -2.014 10.385 0.461 293 HA LYS 42 HA LYS 42 -2.744 13.040 0.192 294 1HB LYS 42 2HB LYS 42 -0.195 11.538 -0.088 295 2HB LYS 42 1HB LYS 42 -0.225 13.187 -0.697 296 1HG LYS 42 2HG LYS 42 -0.856 14.021 1.476 297 2HG LYS 42 1HG LYS 42 -0.973 12.377 2.106 298 1HD LYS 42 2HD LYS 42 1.555 13.559 0.967 299 2HD LYS 42 1HD LYS 42 1.149 13.602 2.683 300 1HE LYS 42 2HE LYS 42 1.013 11.122 2.657 301 2HE LYS 42 1HE LYS 42 1.553 11.146 0.977 302 1HZ LYS 42 1HZ LYS 42 3.092 12.247 3.273 303 2HZ LYS 42 2HZ LYS 42 3.613 12.171 1.663 304 3HZ LYS 42 3HZ LYS 42 3.381 10.743 2.546 305 H SER 43 H SER 43 -2.083 10.675 -2.283 306 HA SER 43 HA SER 43 -1.572 12.245 -4.496 307 1HB SER 43 2HB SER 43 -1.464 9.829 -4.613 308 2HB SER 43 1HB SER 43 -3.200 9.701 -4.332 309 HG SER 43 HG SER 43 -2.369 9.578 -6.596 310 H LYS 44 H LYS 44 -4.813 11.111 -3.484 311 HA LYS 44 HA LYS 44 -6.247 13.395 -3.677 312 1HB LYS 44 2HB LYS 44 -5.193 13.000 -6.204 313 2HB LYS 44 1HB LYS 44 -6.823 12.362 -6.352 314 1HG LYS 44 2HG LYS 44 -7.053 14.586 -6.961 315 2HG LYS 44 1HG LYS 44 -7.567 14.568 -5.273 316 1HD LYS 44 2HD LYS 44 -5.351 15.340 -4.586 317 2HD LYS 44 1HD LYS 44 -4.831 15.354 -6.273 318 1HE LYS 44 2HE LYS 44 -5.479 17.594 -5.406 319 2HE LYS 44 1HE LYS 44 -6.411 17.076 -6.812 320 1HZ LYS 44 1HZ LYS 44 -7.269 17.426 -4.037 321 2HZ LYS 44 2HZ LYS 44 -7.998 16.188 -4.927 322 3HZ LYS 44 3HZ LYS 44 -8.086 17.786 -5.475 323 H LEU 45 H LEU 45 -6.314 10.094 -5.022 324 HA LEU 45 HA LEU 45 -9.095 9.751 -4.808 325 1HB LEU 45 2HB LEU 45 -6.785 7.912 -5.142 326 2HB LEU 45 1HB LEU 45 -8.326 7.220 -4.668 327 HG LEU 45 HG LEU 45 -9.367 8.260 -6.674 328 1HD1 LEU 45 1HD1 LEU 45 -7.642 8.901 -8.474 329 2HD1 LEU 45 2HD1 LEU 45 -6.555 9.178 -7.110 330 3HD1 LEU 45 3HD1 LEU 45 -8.065 10.082 -7.239 331 1HD2 LEU 45 1HD2 LEU 45 -7.237 6.206 -6.768 332 2HD2 LEU 45 2HD2 LEU 45 -7.854 6.803 -8.308 333 3HD2 LEU 45 3HD2 LEU 45 -8.956 6.074 -7.137 334 HA PRO 46 HA PRO 46 -9.790 9.247 -0.500 335 1HB PRO 46 2HB PRO 46 -12.086 7.779 -0.629 336 2HB PRO 46 1HB PRO 46 -12.015 9.517 -0.934 337 1HG PRO 46 2HG PRO 46 -12.074 7.252 -2.886 338 2HG PRO 46 1HG PRO 46 -12.933 8.802 -2.942 339 1HD PRO 46 2HD PRO 46 -10.696 8.332 -4.383 340 2HD PRO 46 1HD PRO 46 -11.088 9.938 -3.735 341 H ILE 47 H ILE 47 -9.374 7.833 1.118 342 HA ILE 47 HA ILE 47 -7.831 5.618 0.872 343 HB ILE 47 HB ILE 47 -9.996 5.915 2.964 344 1HG1 ILE 47 2HG1 ILE 47 -7.165 6.977 2.908 345 2HG1 ILE 47 1HG1 ILE 47 -8.643 7.934 2.870 346 1HG2 ILE 47 1HG2 ILE 47 -9.240 3.981 3.735 347 2HG2 ILE 47 2HG2 ILE 47 -7.695 4.768 4.056 348 3HG2 ILE 47 3HG2 ILE 47 -7.960 3.940 2.522 349 1HD1 ILE 47 1HD1 ILE 47 -8.933 7.795 5.088 350 2HD1 ILE 47 2HD1 ILE 47 -7.210 7.421 5.095 351 3HD1 ILE 47 3HD1 ILE 47 -8.396 6.117 5.161 352 H LEU 48 H LEU 48 -11.265 5.804 0.421 353 HA LEU 48 HA LEU 48 -12.177 3.259 0.717 354 1HB LEU 48 2HB LEU 48 -13.487 5.251 0.008 355 2HB LEU 48 1HB LEU 48 -12.816 5.076 -1.602 356 HG LEU 48 HG LEU 48 -13.902 2.871 -1.803 357 1HD1 LEU 48 1HD1 LEU 48 -15.727 3.263 0.425 358 2HD1 LEU 48 2HD1 LEU 48 -14.064 2.992 0.945 359 3HD1 LEU 48 3HD1 LEU 48 -14.868 1.813 -0.092 360 1HD2 LEU 48 1HD2 LEU 48 -16.105 3.698 -2.174 361 2HD2 LEU 48 2HD2 LEU 48 -14.984 5.012 -2.530 362 3HD2 LEU 48 3HD2 LEU 48 -15.875 5.001 -1.008 363 H GLU 49 H GLU 49 -11.464 4.364 -2.588 364 HA GLU 49 HA GLU 49 -11.156 1.829 -3.672 365 1HB GLU 49 2HB GLU 49 -9.966 4.469 -4.526 366 2HB GLU 49 1HB GLU 49 -9.801 2.999 -5.474 367 1HG GLU 49 2HG GLU 49 -11.588 4.150 -6.441 368 2HG GLU 49 1HG GLU 49 -12.335 2.883 -5.473 369 H LEU 50 H LEU 50 -8.777 3.953 -2.175 370 HA LEU 50 HA LEU 50 -6.393 2.731 -2.711 371 1HB LEU 50 2HB LEU 50 -7.491 4.018 -0.246 372 2HB LEU 50 1HB LEU 50 -5.926 3.238 -0.164 373 HG LEU 50 HG LEU 50 -5.095 4.721 -1.942 374 1HD1 LEU 50 1HD1 LEU 50 -6.644 6.800 -2.291 375 2HD1 LEU 50 2HD1 LEU 50 -7.924 5.644 -1.928 376 3HD1 LEU 50 3HD1 LEU 50 -6.839 5.358 -3.287 377 1HD2 LEU 50 1HD2 LEU 50 -6.108 5.680 0.654 378 2HD2 LEU 50 2HD2 LEU 50 -5.630 6.922 -0.503 379 3HD2 LEU 50 3HD2 LEU 50 -4.471 5.691 -0.003 380 H SER 51 H SER 51 -8.867 1.686 -0.409 381 HA SER 51 HA SER 51 -7.512 -0.410 0.831 382 1HB SER 51 2HB SER 51 -9.750 0.425 1.517 383 2HB SER 51 1HB SER 51 -10.448 -0.347 0.093 384 HG SER 51 HG SER 51 -9.841 -2.353 0.916 385 H HIS 52 H HIS 52 -9.496 -0.498 -2.133 386 HA HIS 52 HA HIS 52 -9.177 -3.246 -2.634 387 1HB HIS 52 2HB HIS 52 -10.862 -1.795 -3.748 388 2HB HIS 52 1HB HIS 52 -9.565 -1.048 -4.674 389 HD1 HIS 52 HD1 HIS 52 -10.562 -4.696 -4.056 390 HD2 HIS 52 HD2 HIS 52 -9.568 -2.081 -7.137 391 HE1 HIS 52 HE1 HIS 52 -10.666 -6.042 -6.203 392 H ILE 53 H ILE 53 -7.199 -0.463 -3.444 393 HA ILE 53 HA ILE 53 -5.461 -1.740 -5.254 394 HB ILE 53 HB ILE 53 -4.763 0.534 -3.395 395 1HG1 ILE 53 2HG1 ILE 53 -6.020 0.541 -6.145 396 2HG1 ILE 53 1HG1 ILE 53 -6.753 1.115 -4.649 397 1HG2 ILE 53 1HG2 ILE 53 -3.505 0.720 -5.921 398 2HG2 ILE 53 2HG2 ILE 53 -3.258 -0.920 -5.323 399 3HG2 ILE 53 3HG2 ILE 53 -2.759 0.460 -4.344 400 1HD1 ILE 53 1HD1 ILE 53 -4.228 2.420 -5.233 401 2HD1 ILE 53 2HD1 ILE 53 -5.803 3.112 -4.842 402 3HD1 ILE 53 3HD1 ILE 53 -5.431 2.643 -6.502 403 H TRP 54 H TRP 54 -5.117 -1.192 -1.724 404 HA TRP 54 HA TRP 54 -2.635 -2.487 -1.494 405 1HB TRP 54 2HB TRP 54 -3.518 -1.145 0.347 406 2HB TRP 54 1HB TRP 54 -4.820 -2.316 0.589 407 HD1 TRP 54 HD1 TRP 54 -4.104 -4.771 1.536 408 HE1 TRP 54 HE1 TRP 54 -2.060 -5.515 2.925 409 HE3 TRP 54 HE3 TRP 54 -1.113 -0.684 0.827 410 HZ2 TRP 54 HZ2 TRP 54 0.478 -4.484 3.631 411 HZ3 TRP 54 HZ3 TRP 54 1.104 -0.640 1.894 412 HH2 TRP 54 HH2 TRP 54 1.879 -2.499 3.269 413 H GLU 55 H GLU 55 -5.901 -3.797 -0.870 414 HA GLU 55 HA GLU 55 -5.117 -6.371 -0.229 415 1HB GLU 55 2HB GLU 55 -7.368 -7.090 -0.929 416 2HB GLU 55 1HB GLU 55 -7.399 -5.646 0.074 417 1HG GLU 55 2HG GLU 55 -7.515 -4.342 -2.112 418 2HG GLU 55 1HG GLU 55 -7.888 -5.891 -2.871 419 H LEU 56 H LEU 56 -5.751 -5.007 -3.458 420 HA LEU 56 HA LEU 56 -5.225 -7.449 -4.827 421 1HB LEU 56 2HB LEU 56 -5.560 -4.602 -5.583 422 2HB LEU 56 1HB LEU 56 -4.685 -5.615 -6.716 423 HG LEU 56 HG LEU 56 -6.589 -7.125 -6.877 424 1HD1 LEU 56 1HD1 LEU 56 -8.754 -6.351 -5.820 425 2HD1 LEU 56 2HD1 LEU 56 -7.767 -5.298 -4.808 426 3HD1 LEU 56 3HD1 LEU 56 -7.553 -7.047 -4.733 427 1HD2 LEU 56 1HD2 LEU 56 -6.369 -4.867 -8.171 428 2HD2 LEU 56 2HD2 LEU 56 -7.775 -4.408 -7.209 429 3HD2 LEU 56 3HD2 LEU 56 -7.856 -5.810 -8.277 430 H SER 57 H SER 57 -3.226 -4.548 -4.264 431 HA SER 57 HA SER 57 -0.906 -5.590 -5.498 432 1HB SER 57 2HB SER 57 -1.401 -3.303 -3.614 433 2HB SER 57 1HB SER 57 0.228 -3.721 -4.139 434 HG SER 57 HG SER 57 -0.193 -2.670 -5.896 435 H ASP 58 H ASP 58 -2.226 -6.063 -2.335 436 HA ASP 58 HA ASP 58 0.336 -7.022 -1.308 437 1HB ASP 58 2HB ASP 58 -1.150 -5.507 0.048 438 2HB ASP 58 1HB ASP 58 -2.298 -6.836 0.161 439 H PHE 59 H PHE 59 -0.371 -8.617 -3.285 440 HA PHE 59 HA PHE 59 -2.103 -10.715 -2.952 441 1HB PHE 59 2HB PHE 59 0.636 -10.660 -4.201 442 2HB PHE 59 1HB PHE 59 -0.404 -12.077 -4.271 443 HD1 PHE 59 HD1 PHE 59 -0.095 -8.538 -5.293 444 HD2 PHE 59 HD2 PHE 59 -2.181 -12.214 -5.795 445 HE1 PHE 59 HE1 PHE 59 -1.202 -7.636 -7.300 446 HE2 PHE 59 HE2 PHE 59 -3.290 -11.318 -7.799 447 HZ PHE 59 HZ PHE 59 -2.797 -9.028 -8.555 448 H ASP 60 H ASP 60 0.534 -10.059 -0.913 449 HA ASP 60 HA ASP 60 0.844 -12.859 -0.121 450 1HB ASP 60 2HB ASP 60 2.695 -11.922 1.316 451 2HB ASP 60 1HB ASP 60 2.911 -11.723 -0.421 452 H LYS 61 H LYS 61 -0.172 -9.761 1.234 453 HA LYS 61 HA LYS 61 -1.650 -9.353 2.946 454 1HB LYS 61 2HB LYS 61 -1.813 -12.255 2.759 455 2HB LYS 61 1HB LYS 61 -1.956 -11.690 4.418 456 1HG LYS 61 2HG LYS 61 -3.628 -10.756 2.096 457 2HG LYS 61 1HG LYS 61 -4.133 -11.903 3.342 458 1HD LYS 61 2HD LYS 61 -3.871 -10.204 5.051 459 2HD LYS 61 1HD LYS 61 -3.274 -9.056 3.851 460 1HE LYS 61 2HE LYS 61 -5.441 -9.181 2.690 461 2HE LYS 61 1HE LYS 61 -6.030 -10.277 3.942 462 1HZ LYS 61 1HZ LYS 61 -5.093 -8.191 5.372 463 2HZ LYS 61 2HZ LYS 61 -6.716 -8.416 4.940 464 3HZ LYS 61 3HZ LYS 61 -5.720 -7.418 4.004 465 H ASP 62 H ASP 62 1.094 -8.977 3.075 466 HA ASP 62 HA ASP 62 1.890 -9.849 5.771 467 1HB ASP 62 2HB ASP 62 4.105 -8.822 5.091 468 2HB ASP 62 1HB ASP 62 3.587 -10.195 4.111 469 H GLY 63 H GLY 63 0.219 -7.332 4.463 470 1HA GLY 63 2HA GLY 63 -0.379 -5.264 5.311 471 2HA GLY 63 1HA GLY 63 0.492 -5.689 6.781 472 H ALA 64 H ALA 64 2.427 -6.109 4.134 473 HA ALA 64 HA ALA 64 3.540 -3.394 4.248 474 1HB ALA 64 1HB ALA 64 5.551 -5.470 3.888 475 2HB ALA 64 2HB ALA 64 4.727 -5.572 5.443 476 3HB ALA 64 3HB ALA 64 5.541 -4.079 4.974 477 H LEU 65 H LEU 65 4.148 -2.583 2.319 478 HA LEU 65 HA LEU 65 3.650 -4.226 -0.025 479 1HB LEU 65 2HB LEU 65 3.265 -1.454 0.662 480 2HB LEU 65 1HB LEU 65 4.155 -1.615 -0.838 481 HG LEU 65 HG LEU 65 2.408 -2.819 -1.884 482 1HD1 LEU 65 1HD1 LEU 65 0.282 -2.957 -0.109 483 2HD1 LEU 65 2HD1 LEU 65 1.677 -3.495 0.825 484 3HD1 LEU 65 3HD1 LEU 65 1.265 -4.301 -0.689 485 1HD2 LEU 65 1HD2 LEU 65 0.407 -1.296 -1.472 486 2HD2 LEU 65 2HD2 LEU 65 1.915 -0.533 -1.980 487 3HD2 LEU 65 3HD2 LEU 65 1.426 -0.480 -0.285 488 H THR 66 H THR 66 5.243 -5.046 -1.094 489 HA THR 66 HA THR 66 7.954 -4.104 -0.651 490 HB THR 66 HB THR 66 7.840 -6.454 -0.737 491 HG1 THR 66 HG1 THR 66 9.507 -6.594 -2.046 492 1HG2 THR 66 1HG2 THR 66 5.620 -6.419 -2.072 493 2HG2 THR 66 2HG2 THR 66 6.731 -7.760 -2.329 494 3HG2 THR 66 3HG2 THR 66 6.653 -6.442 -3.499 495 H LEU 67 H LEU 67 9.376 -3.535 -2.427 496 HA LEU 67 HA LEU 67 8.543 -1.469 -3.955 497 1HB LEU 67 2HB LEU 67 10.892 -2.742 -3.694 498 2HB LEU 67 1HB LEU 67 10.458 -3.302 -5.297 499 HG LEU 67 HG LEU 67 10.744 -0.415 -4.458 500 1HD1 LEU 67 1HD1 LEU 67 12.536 -2.367 -5.815 501 2HD1 LEU 67 2HD1 LEU 67 12.919 -1.114 -4.634 502 3HD1 LEU 67 3HD1 LEU 67 12.588 -0.676 -6.311 503 1HD2 LEU 67 1HD2 LEU 67 10.741 -0.522 -7.200 504 2HD2 LEU 67 2HD2 LEU 67 9.384 -0.029 -6.188 505 3HD2 LEU 67 3HD2 LEU 67 9.497 -1.692 -6.762 506 H ASP 68 H ASP 68 8.165 -4.887 -4.718 507 HA ASP 68 HA ASP 68 7.293 -4.585 -7.394 508 1HB ASP 68 2HB ASP 68 7.702 -6.684 -5.525 509 2HB ASP 68 1HB ASP 68 6.075 -6.847 -6.167 510 H GLU 69 H GLU 69 5.442 -5.155 -4.395 511 HA GLU 69 HA GLU 69 2.880 -4.895 -5.494 512 1HB GLU 69 2HB GLU 69 3.801 -4.110 -2.711 513 2HB GLU 69 1HB GLU 69 2.132 -4.376 -3.198 514 1HG GLU 69 2HG GLU 69 2.553 -6.706 -3.589 515 2HG GLU 69 1HG GLU 69 4.278 -6.480 -3.312 516 H PHE 70 H PHE 70 5.219 -2.594 -4.376 517 HA PHE 70 HA PHE 70 3.711 -0.223 -4.427 518 1HB PHE 70 2HB PHE 70 5.821 -0.215 -3.335 519 2HB PHE 70 1HB PHE 70 6.637 -0.867 -4.743 520 HD1 PHE 70 HD1 PHE 70 4.237 1.882 -5.070 521 HD2 PHE 70 HD2 PHE 70 8.337 0.801 -4.676 522 HE1 PHE 70 HE1 PHE 70 4.901 4.158 -5.735 523 HE2 PHE 70 HE2 PHE 70 9.006 3.064 -5.345 524 HZ PHE 70 HZ PHE 70 7.295 4.754 -5.860 525 H CYS 71 H CYS 71 5.943 -1.552 -6.868 526 HA CYS 71 HA CYS 71 5.487 0.324 -8.873 527 1HB CYS 71 2HB CYS 71 6.582 -2.400 -8.728 528 2HB CYS 71 1HB CYS 71 5.895 -1.993 -10.290 529 HG CYS 71 HG CYS 71 8.057 0.201 -8.882 530 H ALA 72 H ALA 72 3.861 -2.807 -8.357 531 HA ALA 72 HA ALA 72 2.060 -2.557 -10.506 532 1HB ALA 72 1HB ALA 72 0.696 -4.237 -9.161 533 2HB ALA 72 2HB ALA 72 1.994 -4.161 -7.969 534 3HB ALA 72 3HB ALA 72 2.335 -4.706 -9.611 535 H ALA 73 H ALA 73 1.758 -1.667 -7.089 536 HA ALA 73 HA ALA 73 -0.940 -0.864 -7.170 537 1HB ALA 73 1HB ALA 73 0.153 0.716 -5.224 538 2HB ALA 73 2HB ALA 73 1.303 -0.618 -5.316 539 3HB ALA 73 3HB ALA 73 -0.401 -0.944 -5.001 540 H PHE 74 H PHE 74 2.030 1.102 -7.381 541 HA PHE 74 HA PHE 74 0.782 3.570 -7.730 542 1HB PHE 74 2HB PHE 74 3.355 2.805 -7.517 543 2HB PHE 74 1HB PHE 74 3.287 3.114 -9.251 544 HD1 PHE 74 HD1 PHE 74 2.518 4.649 -5.965 545 HD2 PHE 74 HD2 PHE 74 3.473 5.285 -10.063 546 HE1 PHE 74 HE1 PHE 74 2.737 7.060 -5.535 547 HE2 PHE 74 HE2 PHE 74 3.699 7.698 -9.639 548 HZ PHE 74 HZ PHE 74 3.331 8.589 -7.372 549 H HIS 75 H HIS 75 2.033 1.355 -10.247 550 HA HIS 75 HA HIS 75 1.194 2.819 -12.473 551 1HB HIS 75 2HB HIS 75 2.475 0.436 -12.024 552 2HB HIS 75 1HB HIS 75 0.946 -0.101 -12.696 553 HD1 HIS 75 HD1 HIS 75 3.273 2.764 -13.706 554 HD2 HIS 75 HD2 HIS 75 1.354 -0.545 -15.290 555 HE1 HIS 75 HE1 HIS 75 3.849 2.712 -16.167 556 H LEU 76 H LEU 76 -0.400 0.133 -10.800 557 HA LEU 76 HA LEU 76 -2.761 0.018 -12.216 558 1HB LEU 76 2HB LEU 76 -1.878 -1.458 -10.334 559 2HB LEU 76 1HB LEU 76 -2.571 -0.285 -9.231 560 HG LEU 76 HG LEU 76 -4.114 -1.847 -11.282 561 1HD1 LEU 76 1HD1 LEU 76 -4.040 -2.184 -8.292 562 2HD1 LEU 76 2HD1 LEU 76 -3.158 -3.202 -9.432 563 3HD1 LEU 76 3HD1 LEU 76 -4.921 -3.173 -9.456 564 1HD2 LEU 76 1HD2 LEU 76 -5.825 -0.485 -10.873 565 2HD2 LEU 76 2HD2 LEU 76 -4.749 0.529 -9.914 566 3HD2 LEU 76 3HD2 LEU 76 -5.667 -0.760 -9.139 567 H VAL 77 H VAL 77 -2.038 1.973 -9.331 568 HA VAL 77 HA VAL 77 -4.493 3.239 -9.038 569 HB VAL 77 HB VAL 77 -1.737 4.355 -8.478 570 1HG1 VAL 77 1HG1 VAL 77 -2.963 5.804 -6.839 571 2HG1 VAL 77 2HG1 VAL 77 -4.464 5.297 -7.615 572 3HG1 VAL 77 3HG1 VAL 77 -3.254 6.193 -8.534 573 1HG2 VAL 77 1HG2 VAL 77 -1.671 2.970 -6.745 574 2HG2 VAL 77 2HG2 VAL 77 -3.209 2.270 -7.249 575 3HG2 VAL 77 3HG2 VAL 77 -3.186 3.639 -6.139 576 H VAL 78 H VAL 78 -1.713 4.113 -11.019 577 HA VAL 78 HA VAL 78 -2.507 6.571 -12.007 578 HB VAL 78 HB VAL 78 -1.095 4.339 -13.463 579 1HG1 VAL 78 1HG1 VAL 78 -0.172 6.183 -14.870 580 2HG1 VAL 78 2HG1 VAL 78 -1.343 7.269 -14.120 581 3HG1 VAL 78 3HG1 VAL 78 -1.899 5.902 -15.086 582 1HG2 VAL 78 1HG2 VAL 78 0.376 4.755 -11.799 583 2HG2 VAL 78 2HG2 VAL 78 -0.240 6.382 -11.509 584 3HG2 VAL 78 3HG2 VAL 78 0.841 6.077 -12.868 585 H ALA 79 H ALA 79 -3.206 3.343 -13.313 586 HA ALA 79 HA ALA 79 -4.759 4.163 -15.497 587 1HB ALA 79 1HB ALA 79 -4.699 1.967 -15.862 588 2HB ALA 79 2HB ALA 79 -5.801 1.717 -14.508 589 3HB ALA 79 3HB ALA 79 -4.059 1.708 -14.237 590 H ARG 80 H ARG 80 -5.756 3.148 -12.230 591 HA ARG 80 HA ARG 80 -8.465 3.369 -12.409 592 1HB ARG 80 2HB ARG 80 -6.783 2.996 -10.366 593 2HB ARG 80 1HB ARG 80 -7.204 4.670 -10.042 594 1HG ARG 80 2HG ARG 80 -9.433 2.791 -10.548 595 2HG ARG 80 1HG ARG 80 -8.546 2.600 -9.036 596 1HD ARG 80 2HD ARG 80 -10.474 4.032 -8.713 597 2HD ARG 80 1HD ARG 80 -8.986 4.954 -8.507 598 HE ARG 80 HE ARG 80 -9.918 5.145 -11.160 599 1HH1 ARG 80 2HH1 ARG 80 -10.760 6.264 -8.003 600 2HH1 ARG 80 1HH1 ARG 80 -11.338 7.778 -8.578 601 1HH2 ARG 80 1HH2 ARG 80 -10.608 7.126 -11.915 602 2HH2 ARG 80 2HH2 ARG 80 -11.235 8.283 -10.789 603 H LYS 81 H LYS 81 -6.143 6.030 -12.109 604 HA LYS 81 HA LYS 81 -8.000 8.111 -11.750 605 1HB LYS 81 2HB LYS 81 -5.284 8.166 -13.050 606 2HB LYS 81 1HB LYS 81 -6.193 9.598 -12.591 607 1HG LYS 81 2HG LYS 81 -6.179 8.305 -10.239 608 2HG LYS 81 1HG LYS 81 -4.676 7.691 -10.932 609 1HD LYS 81 2HD LYS 81 -4.265 9.703 -9.607 610 2HD LYS 81 1HD LYS 81 -3.912 9.991 -11.313 611 1HE LYS 81 2HE LYS 81 -5.979 11.166 -11.607 612 2HE LYS 81 1HE LYS 81 -6.524 10.716 -9.992 613 1HZ LYS 81 1HZ LYS 81 -4.392 12.630 -10.738 614 2HZ LYS 81 2HZ LYS 81 -4.507 11.992 -9.176 615 3HZ LYS 81 3HZ LYS 81 -5.780 12.911 -9.810 616 H ASN 82 H ASN 82 -6.801 6.617 -14.707 617 HA ASN 82 HA ASN 82 -8.998 7.784 -16.216 618 1HB ASN 82 2HB ASN 82 -6.219 8.724 -16.470 619 2HB ASN 82 1HB ASN 82 -6.988 8.304 -17.998 620 1HD2 ASN 82 1HD2 ASN 82 -8.103 9.831 -18.936 621 2HD2 ASN 82 2HD2 ASN 82 -8.772 11.225 -18.168 622 H GLY 83 H GLY 83 -8.668 5.169 -15.571 623 1HA GLY 83 2HA GLY 83 -8.024 3.965 -18.186 624 2HA GLY 83 1HA GLY 83 -7.477 3.216 -16.692 625 H TYR 84 H TYR 84 -8.653 1.423 -16.366 626 HA TYR 84 HA TYR 84 -11.563 1.708 -16.405 627 1HB TYR 84 2HB TYR 84 -10.111 -0.621 -17.674 628 2HB TYR 84 1HB TYR 84 -11.857 -0.448 -17.523 629 HD1 TYR 84 HD1 TYR 84 -9.059 0.117 -19.623 630 HD2 TYR 84 HD2 TYR 84 -12.893 1.678 -18.627 631 HE1 TYR 84 HE1 TYR 84 -9.125 1.315 -21.771 632 HE2 TYR 84 HE2 TYR 84 -12.969 2.877 -20.774 633 HH TYR 84 HH TYR 84 -10.398 2.510 -23.180 634 H ASP 85 H ASP 85 -12.686 0.432 -14.976 635 HA ASP 85 HA ASP 85 -11.599 -0.062 -12.520 636 1HB ASP 85 2HB ASP 85 -14.109 -0.467 -13.795 637 2HB ASP 85 1HB ASP 85 -13.723 -1.927 -12.884 638 H LEU 86 H LEU 86 -11.101 -1.968 -11.352 639 HA LEU 86 HA LEU 86 -9.518 -3.840 -12.875 640 1HB LEU 86 2HB LEU 86 -9.946 -3.692 -9.894 641 2HB LEU 86 1HB LEU 86 -8.729 -4.645 -10.720 642 HG LEU 86 HG LEU 86 -7.915 -2.337 -11.633 643 1HD1 LEU 86 1HD1 LEU 86 -8.646 -0.441 -10.691 644 2HD1 LEU 86 2HD1 LEU 86 -8.726 -1.160 -9.085 645 3HD1 LEU 86 3HD1 LEU 86 -10.049 -1.391 -10.214 646 1HD2 LEU 86 1HD2 LEU 86 -6.236 -2.472 -10.132 647 2HD2 LEU 86 2HD2 LEU 86 -7.017 -4.007 -9.758 648 3HD2 LEU 86 3HD2 LEU 86 -7.327 -2.591 -8.752 649 HA PRO 87 HA PRO 87 -12.387 -7.215 -12.797 650 1HB PRO 87 2HB PRO 87 -10.740 -9.275 -13.230 651 2HB PRO 87 1HB PRO 87 -10.983 -8.021 -14.453 652 1HG PRO 87 2HG PRO 87 -8.726 -8.359 -12.515 653 2HG PRO 87 1HG PRO 87 -8.667 -7.940 -14.236 654 1HD PRO 87 2HD PRO 87 -8.498 -6.109 -12.192 655 2HD PRO 87 1HD PRO 87 -9.068 -5.724 -13.826 656 H GLU 88 H GLU 88 -11.921 -6.367 -10.196 657 HA GLU 88 HA GLU 88 -11.244 -7.172 -8.032 658 1HB GLU 88 2HB GLU 88 -13.879 -8.415 -8.803 659 2HB GLU 88 1HB GLU 88 -13.315 -8.166 -7.158 660 1HG GLU 88 2HG GLU 88 -13.281 -5.751 -7.539 661 2HG GLU 88 1HG GLU 88 -13.873 -6.010 -9.181 662 H LYS 89 H LYS 89 -9.442 -8.715 -9.032 663 HA LYS 89 HA LYS 89 -9.890 -11.456 -9.277 664 1HB LYS 89 2HB LYS 89 -7.538 -9.753 -8.740 665 2HB LYS 89 1HB LYS 89 -7.388 -11.436 -8.248 666 1HG LYS 89 2HG LYS 89 -6.545 -11.037 -10.515 667 2HG LYS 89 1HG LYS 89 -7.891 -12.178 -10.483 668 1HD LYS 89 2HD LYS 89 -9.254 -9.899 -10.844 669 2HD LYS 89 1HD LYS 89 -7.734 -9.458 -11.629 670 1HE LYS 89 2HE LYS 89 -9.279 -10.434 -13.237 671 2HE LYS 89 1HE LYS 89 -7.872 -11.476 -13.009 672 1HZ LYS 89 1HZ LYS 89 -9.259 -13.114 -12.513 673 2HZ LYS 89 2HZ LYS 89 -10.598 -12.083 -12.604 674 3HZ LYS 89 3HZ LYS 89 -9.770 -12.259 -11.142 675 H LEU 90 H LEU 90 -8.877 -9.656 -6.382 676 HA LEU 90 HA LEU 90 -9.058 -11.947 -4.680 677 1HB LEU 90 2HB LEU 90 -7.617 -9.840 -4.400 678 2HB LEU 90 1HB LEU 90 -9.071 -9.069 -3.798 679 HG LEU 90 HG LEU 90 -8.187 -11.620 -2.523 680 1HD1 LEU 90 1HD1 LEU 90 -6.510 -9.340 -2.747 681 2HD1 LEU 90 2HD1 LEU 90 -6.256 -10.804 -1.798 682 3HD1 LEU 90 3HD1 LEU 90 -7.099 -9.428 -1.088 683 1HD2 LEU 90 1HD2 LEU 90 -8.974 -9.495 -0.778 684 2HD2 LEU 90 2HD2 LEU 90 -9.758 -11.052 -1.061 685 3HD2 LEU 90 3HD2 LEU 90 -10.160 -9.665 -2.074 686 HA PRO 91 HA PRO 91 -13.512 -11.489 -4.335 687 1HB PRO 91 2HB PRO 91 -14.023 -13.886 -3.275 688 2HB PRO 91 1HB PRO 91 -13.514 -13.711 -4.959 689 1HG PRO 91 2HG PRO 91 -11.903 -14.502 -2.565 690 2HG PRO 91 1HG PRO 91 -11.887 -15.189 -4.199 691 1HD PRO 91 2HD PRO 91 -10.052 -13.360 -3.258 692 2HD PRO 91 1HD PRO 91 -10.437 -13.599 -4.973 693 H GLU 92 H GLU 92 -14.114 -10.037 -2.803 694 HA GLU 92 HA GLU 92 -13.326 -9.955 -0.132 695 1HB GLU 92 2HB GLU 92 -14.440 -8.055 -1.092 696 2HB GLU 92 1HB GLU 92 -15.877 -9.008 -1.441 697 1HG GLU 92 2HG GLU 92 -16.091 -9.348 1.060 698 2HG GLU 92 1HG GLU 92 -14.866 -8.092 1.234 699 H SER 93 H SER 93 -15.954 -11.717 -1.669 700 HA SER 93 HA SER 93 -16.876 -12.701 0.921 701 1HB SER 93 2HB SER 93 -18.767 -13.623 -0.334 702 2HB SER 93 1HB SER 93 -18.539 -11.916 -0.719 703 HG SER 93 HG SER 93 -18.088 -14.179 -2.297 704 H LEU 94 H LEU 94 -14.297 -13.554 -0.296 705 HA LEU 94 HA LEU 94 -14.772 -16.417 0.011 706 1HB LEU 94 2HB LEU 94 -13.363 -15.191 -2.344 707 2HB LEU 94 1HB LEU 94 -13.126 -16.862 -1.873 708 HG LEU 94 HG LEU 94 -15.695 -15.587 -2.817 709 1HD1 LEU 94 1HD1 LEU 94 -13.754 -17.545 -3.990 710 2HD1 LEU 94 2HD1 LEU 94 -14.418 -16.074 -4.702 711 3HD1 LEU 94 3HD1 LEU 94 -15.437 -17.502 -4.512 712 1HD2 LEU 94 1HD2 LEU 94 -15.889 -17.295 -0.916 713 2HD2 LEU 94 2HD2 LEU 94 -15.355 -18.481 -2.108 714 3HD2 LEU 94 3HD2 LEU 94 -16.842 -17.571 -2.375 715 H MET 95 H MET 95 -13.645 -14.291 1.639 716 HA MET 95 HA MET 95 -11.457 -15.651 2.731 717 1HB MET 95 2HB MET 95 -10.759 -14.058 0.550 718 2HB MET 95 1HB MET 95 -10.268 -13.144 1.969 719 1HG MET 95 2HG MET 95 -8.688 -14.652 2.574 720 2HG MET 95 1HG MET 95 -9.589 -16.019 1.928 721 1HE MET 95 1HE MET 95 -8.583 -17.136 -0.720 722 2HE MET 95 2HE MET 95 -9.102 -15.827 -1.782 723 3HE MET 95 3HE MET 95 -10.096 -16.291 -0.402 724 HA PRO 96 HA PRO 96 -13.022 -13.069 5.975 725 1HB PRO 96 2HB PRO 96 -11.646 -14.156 8.005 726 2HB PRO 96 1HB PRO 96 -12.939 -15.034 7.184 727 1HG PRO 96 2HG PRO 96 -9.975 -15.256 6.833 728 2HG PRO 96 1HG PRO 96 -11.189 -16.545 6.930 729 1HD PRO 96 2HD PRO 96 -10.140 -15.608 4.577 730 2HD PRO 96 1HD PRO 96 -11.744 -16.353 4.717 731 H LYS 97 HN LYS 97 -11.484 -12.443 8.242 732 HA LYS 97 HA LYS 97 -9.488 -10.580 7.129 733 1HB LYS 97 2HB LYS 97 -11.023 -10.128 9.675 734 2HB LYS 97 1HB LYS 97 -10.150 -8.952 8.699 735 1HG LYS 97 2HG LYS 97 -11.834 -9.325 6.892 736 2HG LYS 97 1HG LYS 97 -12.743 -10.312 8.038 737 1HD LYS 97 2HD LYS 97 -13.549 -7.971 7.893 738 2HD LYS 97 1HD LYS 97 -13.032 -8.440 9.514 739 1HE LYS 97 2HE LYS 97 -10.976 -7.250 9.281 740 2HE LYS 97 1HE LYS 97 -11.266 -6.971 7.561 741 1HZ LYS 97 1HZ LYS 97 -12.991 -5.475 8.036 742 2HZ LYS 97 2HZ LYS 97 -11.748 -5.055 9.105 743 3HZ LYS 97 3HZ LYS 97 -13.079 -5.938 9.662 Start of MODEL 14 1 1H TRP 6 1H TRP 6 -0.500 -6.588 -19.937 2 2H TRP 6 2H TRP 6 0.023 -7.274 -18.482 3 3H TRP 6 3H TRP 6 1.075 -7.200 -19.807 4 HA TRP 6 HA TRP 6 0.314 -4.608 -19.434 5 1HB TRP 6 2HB TRP 6 0.392 -6.144 -16.888 6 2HB TRP 6 1HB TRP 6 1.141 -4.552 -16.889 7 HD1 TRP 6 HD1 TRP 6 -2.161 -5.601 -18.637 8 HE1 TRP 6 HE1 TRP 6 -4.035 -4.073 -17.754 9 HE3 TRP 6 HE3 TRP 6 0.502 -2.970 -15.153 10 HZ2 TRP 6 HZ2 TRP 6 -4.344 -2.023 -15.839 11 HZ3 TRP 6 HZ3 TRP 6 -0.656 -1.242 -13.840 12 HH2 TRP 6 HH2 TRP 6 -3.029 -0.778 -14.176 13 H LYS 7 H LYS 7 2.194 -3.275 -18.639 14 HA LYS 7 HA LYS 7 4.767 -4.549 -18.502 15 1HB LYS 7 2HB LYS 7 5.690 -3.307 -20.469 16 2HB LYS 7 1HB LYS 7 4.559 -4.582 -20.894 17 1HG LYS 7 2HG LYS 7 3.835 -1.666 -20.718 18 2HG LYS 7 1HG LYS 7 4.284 -2.498 -22.208 19 1HD LYS 7 2HD LYS 7 2.398 -4.070 -21.839 20 2HD LYS 7 1HD LYS 7 1.923 -3.116 -20.433 21 1HE LYS 7 2HE LYS 7 2.072 -2.131 -23.280 22 2HE LYS 7 1HE LYS 7 0.599 -2.517 -22.390 23 1HZ LYS 7 1HZ LYS 7 2.526 -0.342 -21.787 24 2HZ LYS 7 2HZ LYS 7 1.238 -0.771 -20.778 25 3HZ LYS 7 3HZ LYS 7 0.932 -0.171 -22.329 26 H ILE 8 H ILE 8 6.270 -2.179 -19.212 27 HA ILE 8 HA ILE 8 5.185 -0.018 -17.616 28 HB ILE 8 HB ILE 8 7.657 -1.471 -16.665 29 1HG1 ILE 8 2HG1 ILE 8 4.937 -1.236 -15.368 30 2HG1 ILE 8 1HG1 ILE 8 5.536 -2.673 -16.191 31 1HG2 ILE 8 1HG2 ILE 8 6.943 0.193 -14.661 32 2HG2 ILE 8 2HG2 ILE 8 6.479 1.150 -16.067 33 3HG2 ILE 8 3HG2 ILE 8 8.141 0.584 -15.894 34 1HD1 ILE 8 1HD1 ILE 8 5.799 -2.030 -13.498 35 2HD1 ILE 8 2HD1 ILE 8 7.404 -1.793 -14.192 36 3HD1 ILE 8 3HD1 ILE 8 6.588 -3.347 -14.366 37 H THR 9 H THR 9 6.074 1.936 -18.128 38 HA THR 9 HA THR 9 8.061 1.952 -20.258 39 HB THR 9 HB THR 9 6.695 4.344 -19.014 40 HG1 THR 9 HG1 THR 9 5.659 2.396 -20.593 41 1HG2 THR 9 1HG2 THR 9 8.411 5.227 -20.254 42 2HG2 THR 9 2HG2 THR 9 7.161 5.109 -21.493 43 3HG2 THR 9 3HG2 THR 9 8.425 3.883 -21.394 44 H ASP 10 H ASP 10 10.138 2.573 -20.033 45 HA ASP 10 HA ASP 10 11.466 2.469 -17.663 46 1HB ASP 10 2HB ASP 10 12.224 2.819 -20.231 47 2HB ASP 10 1HB ASP 10 12.598 4.413 -19.583 48 H GLU 11 H GLU 11 9.824 5.306 -19.006 49 HA GLU 11 HA GLU 11 10.915 7.243 -17.296 50 1HB GLU 11 2HB GLU 11 8.474 7.015 -18.970 51 2HB GLU 11 1HB GLU 11 8.485 8.248 -17.728 52 1HG GLU 11 2HG GLU 11 10.819 8.830 -18.796 53 2HG GLU 11 1HG GLU 11 10.113 8.023 -20.197 54 H GLN 12 H GLN 12 7.841 5.425 -16.999 55 HA GLN 12 HA GLN 12 7.191 6.480 -14.492 56 1HB GLN 12 2HB GLN 12 6.234 4.257 -16.183 57 2HB GLN 12 1HB GLN 12 5.902 4.105 -14.466 58 1HG GLN 12 2HG GLN 12 4.896 6.353 -14.488 59 2HG GLN 12 1HG GLN 12 5.171 6.427 -16.223 60 1HE2 GLN 12 1HE2 GLN 12 4.494 3.340 -15.892 61 2HE2 GLN 12 2HE2 GLN 12 2.775 3.368 -16.027 62 H ARG 13 H ARG 13 9.199 3.777 -15.452 63 HA ARG 13 HA ARG 13 9.433 2.510 -12.977 64 1HB ARG 13 2HB ARG 13 10.378 1.712 -15.188 65 2HB ARG 13 1HB ARG 13 11.684 2.871 -14.943 66 1HG ARG 13 2HG ARG 13 12.453 1.767 -13.023 67 2HG ARG 13 1HG ARG 13 11.007 0.756 -12.924 68 1HD ARG 13 2HD ARG 13 11.646 -0.528 -14.758 69 2HD ARG 13 1HD ARG 13 12.807 0.676 -15.320 70 HE ARG 13 HE ARG 13 13.483 -0.283 -12.730 71 1HH1 ARG 13 2HH1 ARG 13 13.689 -1.062 -16.086 72 2HH1 ARG 13 1HH1 ARG 13 15.002 -2.157 -15.872 73 1HH2 ARG 13 1HH2 ARG 13 15.185 -1.649 -12.436 74 2HH2 ARG 13 2HH2 ARG 13 15.858 -2.489 -13.790 75 H GLN 14 H GLN 14 11.530 5.068 -14.379 76 HA GLN 14 HA GLN 14 12.926 5.496 -11.922 77 1HB GLN 14 2HB GLN 14 13.853 7.466 -12.976 78 2HB GLN 14 1HB GLN 14 13.874 6.140 -14.119 79 1HG GLN 14 2HG GLN 14 12.012 7.061 -15.309 80 2HG GLN 14 1HG GLN 14 11.770 8.292 -14.076 81 1HE2 GLN 14 1HE2 GLN 14 13.161 7.636 -17.035 82 2HE2 GLN 14 2HE2 GLN 14 14.236 8.982 -17.121 83 H TYR 15 H TYR 15 10.028 6.748 -13.373 84 HA TYR 15 HA TYR 15 9.634 9.067 -11.897 85 1HB TYR 15 2HB TYR 15 8.305 8.223 -13.871 86 2HB TYR 15 1HB TYR 15 7.465 7.154 -12.756 87 HD1 TYR 15 HD1 TYR 15 5.314 7.897 -12.473 88 HD2 TYR 15 HD2 TYR 15 8.469 10.748 -12.536 89 HE1 TYR 15 HE1 TYR 15 3.695 9.690 -12.018 90 HE2 TYR 15 HE2 TYR 15 6.860 12.549 -12.076 91 HH TYR 15 HH TYR 15 4.547 13.026 -12.245 92 H TYR 16 H TYR 16 8.287 5.812 -11.155 93 HA TYR 16 HA TYR 16 7.229 6.621 -8.658 94 1HB TYR 16 2HB TYR 16 6.641 4.391 -8.308 95 2HB TYR 16 1HB TYR 16 6.663 4.529 -10.060 96 HD1 TYR 16 HD1 TYR 16 8.899 3.557 -7.228 97 HD2 TYR 16 HD2 TYR 16 7.783 2.910 -11.283 98 HE1 TYR 16 HE1 TYR 16 10.426 1.636 -7.335 99 HE2 TYR 16 HE2 TYR 16 9.313 0.986 -11.401 100 HH TYR 16 HH TYR 16 10.412 -0.630 -8.970 101 H VAL 17 H VAL 17 10.318 5.224 -9.587 102 HA VAL 17 HA VAL 17 11.324 4.695 -7.013 103 HB VAL 17 HB VAL 17 12.882 5.481 -9.479 104 1HG1 VAL 17 1HG1 VAL 17 14.214 5.600 -7.446 105 2HG1 VAL 17 2HG1 VAL 17 14.717 4.233 -8.441 106 3HG1 VAL 17 3HG1 VAL 17 13.717 3.964 -7.012 107 1HG2 VAL 17 1HG2 VAL 17 11.212 3.484 -9.534 108 2HG2 VAL 17 2HG2 VAL 17 12.454 2.670 -8.584 109 3HG2 VAL 17 3HG2 VAL 17 12.838 3.293 -10.189 110 H ASN 18 H ASN 18 11.376 7.618 -8.989 111 HA ASN 18 HA ASN 18 13.198 9.170 -7.699 112 1HB ASN 18 2HB ASN 18 10.748 9.645 -9.246 113 2HB ASN 18 1HB ASN 18 11.255 10.986 -8.235 114 1HD2 ASN 18 1HD2 ASN 18 11.750 9.321 -11.122 115 2HD2 ASN 18 2HD2 ASN 18 13.156 10.172 -11.654 116 H GLN 19 H GLN 19 9.740 8.920 -6.727 117 HA GLN 19 HA GLN 19 10.344 10.430 -4.312 118 1HB GLN 19 2HB GLN 19 7.748 9.236 -5.270 119 2HB GLN 19 1HB GLN 19 7.928 10.265 -3.856 120 1HG GLN 19 2HG GLN 19 7.124 11.654 -5.558 121 2HG GLN 19 1HG GLN 19 8.844 12.021 -5.420 122 1HE2 GLN 19 1HE2 GLN 19 9.856 12.200 -7.279 123 2HE2 GLN 19 2HE2 GLN 19 9.418 11.413 -8.753 124 H PHE 20 H PHE 20 8.822 7.258 -4.980 125 HA PHE 20 HA PHE 20 8.659 6.424 -2.358 126 1HB PHE 20 2HB PHE 20 8.406 5.155 -4.929 127 2HB PHE 20 1HB PHE 20 9.097 4.068 -3.723 128 HD1 PHE 20 HD1 PHE 20 6.411 6.649 -3.922 129 HD2 PHE 20 HD2 PHE 20 7.608 2.823 -2.498 130 HE1 PHE 20 HE1 PHE 20 4.191 6.336 -2.911 131 HE2 PHE 20 HE2 PHE 20 5.387 2.500 -1.492 132 HZ PHE 20 HZ PHE 20 3.680 4.260 -1.697 133 H LYS 21 H LYS 21 11.503 6.592 -4.333 134 HA LYS 21 HA LYS 21 13.128 4.680 -3.222 135 1HB LYS 21 2HB LYS 21 13.566 7.260 -4.506 136 2HB LYS 21 1HB LYS 21 14.817 6.870 -3.332 137 1HG LYS 21 2HG LYS 21 14.725 4.536 -4.594 138 2HG LYS 21 1HG LYS 21 14.142 5.568 -5.899 139 1HD LYS 21 2HD LYS 21 16.634 6.200 -4.346 140 2HD LYS 21 1HD LYS 21 16.658 5.165 -5.775 141 1HE LYS 21 2HE LYS 21 17.219 7.488 -6.314 142 2HE LYS 21 1HE LYS 21 15.739 6.967 -7.120 143 1HZ LYS 21 1HZ LYS 21 14.447 8.319 -5.829 144 2HZ LYS 21 2HZ LYS 21 15.858 9.252 -5.901 145 3HZ LYS 21 3HZ LYS 21 15.531 8.324 -4.528 146 H THR 22 H THR 22 12.057 7.714 -1.764 147 HA THR 22 HA THR 22 13.803 7.947 0.355 148 HB THR 22 HB THR 22 10.803 8.352 0.467 149 HG1 THR 22 HG1 THR 22 12.959 9.907 -0.445 150 1HG2 THR 22 1HG2 THR 22 11.058 9.511 2.452 151 2HG2 THR 22 2HG2 THR 22 12.779 9.795 2.190 152 3HG2 THR 22 3HG2 THR 22 12.209 8.194 2.662 153 H ILE 23 H ILE 23 11.368 5.539 -0.198 154 HA ILE 23 HA ILE 23 12.018 4.309 2.402 155 HB ILE 23 HB ILE 23 9.469 3.927 0.832 156 1HG1 ILE 23 2HG1 ILE 23 10.021 5.629 3.271 157 2HG1 ILE 23 1HG1 ILE 23 9.586 6.213 1.668 158 1HG2 ILE 23 1HG2 ILE 23 8.698 2.620 2.585 159 2HG2 ILE 23 2HG2 ILE 23 9.910 3.233 3.708 160 3HG2 ILE 23 3HG2 ILE 23 10.381 2.117 2.426 161 1HD1 ILE 23 1HD1 ILE 23 7.775 4.380 3.180 162 2HD1 ILE 23 2HD1 ILE 23 7.389 5.502 1.873 163 3HD1 ILE 23 3HD1 ILE 23 7.780 6.117 3.481 164 H GLN 24 H GLN 24 10.573 3.240 -0.692 165 HA GLN 24 HA GLN 24 12.299 0.868 -0.582 166 1HB GLN 24 2HB GLN 24 9.541 1.135 -0.873 167 2HB GLN 24 1HB GLN 24 10.132 0.707 -2.468 168 1HG GLN 24 2HG GLN 24 9.466 -1.211 -0.984 169 2HG GLN 24 1HG GLN 24 11.084 -1.304 -1.684 170 1HE2 GLN 24 1HE2 GLN 24 9.257 -1.240 1.192 171 2HE2 GLN 24 2HE2 GLN 24 10.578 -1.256 2.305 172 HA PRO 25 HA PRO 25 13.867 3.375 -4.132 173 1HB PRO 25 2HB PRO 25 16.490 2.888 -3.660 174 2HB PRO 25 1HB PRO 25 15.588 4.185 -2.866 175 1HG PRO 25 2HG PRO 25 16.277 1.456 -1.841 176 2HG PRO 25 1HG PRO 25 16.369 3.020 -1.008 177 1HD PRO 25 2HD PRO 25 14.316 1.300 -0.635 178 2HD PRO 25 1HD PRO 25 14.104 3.061 -0.569 179 H ASP 26 H ASP 26 15.494 0.309 -3.164 180 HA ASP 26 HA ASP 26 14.873 -0.855 -5.747 181 1HB ASP 26 2HB ASP 26 16.899 0.644 -5.991 182 2HB ASP 26 1HB ASP 26 17.759 -0.486 -4.960 183 H LEU 27 H LEU 27 16.592 -1.148 -2.680 184 HA LEU 27 HA LEU 27 17.427 -3.726 -2.587 185 1HB LEU 27 2HB LEU 27 17.182 -3.611 -0.188 186 2HB LEU 27 1HB LEU 27 17.698 -2.055 -0.808 187 HG LEU 27 HG LEU 27 14.788 -2.311 -0.578 188 1HD1 LEU 27 1HD1 LEU 27 16.432 -2.238 1.946 189 2HD1 LEU 27 2HD1 LEU 27 15.541 -3.648 1.373 190 3HD1 LEU 27 3HD1 LEU 27 14.674 -2.176 1.812 191 1HD2 LEU 27 1HD2 LEU 27 14.960 -0.089 0.244 192 2HD2 LEU 27 2HD2 LEU 27 16.114 -0.238 -1.082 193 3HD2 LEU 27 3HD2 LEU 27 16.679 -0.280 0.588 194 H ASN 28 H ASN 28 15.807 -4.694 -0.272 195 HA ASN 28 HA ASN 28 13.459 -5.748 -1.700 196 1HB ASN 28 2HB ASN 28 15.376 -7.387 -1.521 197 2HB ASN 28 1HB ASN 28 15.165 -7.325 0.222 198 1HD2 ASN 28 1HD2 ASN 28 14.316 -8.864 -2.558 199 2HD2 ASN 28 2HD2 ASN 28 12.946 -9.740 -1.986 200 H GLY 29 H GLY 29 13.083 -3.604 -0.251 201 1HA GLY 29 2HA GLY 29 12.354 -4.377 2.473 202 2HA GLY 29 1HA GLY 29 12.445 -2.738 1.855 203 H PHE 30 H PHE 30 10.350 -4.116 3.354 204 HA PHE 30 HA PHE 30 8.130 -3.958 1.425 205 1HB PHE 30 2HB PHE 30 8.162 -5.302 4.136 206 2HB PHE 30 1HB PHE 30 6.849 -5.341 2.968 207 HD1 PHE 30 HD1 PHE 30 10.527 -6.015 2.896 208 HD2 PHE 30 HD2 PHE 30 6.606 -7.361 1.937 209 HE1 PHE 30 HE1 PHE 30 11.474 -8.068 1.923 210 HE2 PHE 30 HE2 PHE 30 7.546 -9.413 0.963 211 HZ PHE 30 HZ PHE 30 9.981 -9.770 0.956 212 H ILE 31 H ILE 31 6.740 -2.323 1.616 213 HA ILE 31 HA ILE 31 6.978 -0.518 3.891 214 HB ILE 31 HB ILE 31 5.622 -0.301 1.222 215 1HG1 ILE 31 2HG1 ILE 31 7.512 1.587 2.626 216 2HG1 ILE 31 1HG1 ILE 31 8.061 0.286 1.566 217 1HG2 ILE 31 1HG2 ILE 31 4.977 2.051 2.148 218 2HG2 ILE 31 2HG2 ILE 31 5.055 1.241 3.713 219 3HG2 ILE 31 3HG2 ILE 31 3.945 0.659 2.471 220 1HD1 ILE 31 1HD1 ILE 31 7.811 2.666 0.620 221 2HD1 ILE 31 2HD1 ILE 31 6.084 2.307 0.603 222 3HD1 ILE 31 3HD1 ILE 31 7.203 1.308 -0.330 223 HA PRO 32 HA PRO 32 3.442 -2.560 5.782 224 1HB PRO 32 2HB PRO 32 3.249 -0.782 7.860 225 2HB PRO 32 1HB PRO 32 4.375 -2.145 7.838 226 1HG PRO 32 2HG PRO 32 4.877 0.733 7.164 227 2HG PRO 32 1HG PRO 32 5.868 -0.378 8.130 228 1HD PRO 32 2HD PRO 32 6.481 0.177 5.580 229 2HD PRO 32 1HD PRO 32 6.714 -1.454 6.249 230 H GLY 33 H GLY 33 1.190 -1.886 6.218 231 1HA GLY 33 2HA GLY 33 0.241 -0.061 4.254 232 2HA GLY 33 1HA GLY 33 -0.731 -0.811 5.509 233 H SER 34 H SER 34 2.058 1.308 5.988 234 HA SER 34 HA SER 34 0.360 3.123 7.525 235 1HB SER 34 2HB SER 34 2.526 3.985 8.415 236 2HB SER 34 1HB SER 34 2.296 2.258 8.702 237 HG SER 34 HG SER 34 4.215 2.161 7.819 238 H ALA 35 H ALA 35 3.401 3.903 5.905 239 HA ALA 35 HA ALA 35 2.623 6.472 5.148 240 1HB ALA 35 1HB ALA 35 4.651 6.622 4.000 241 2HB ALA 35 2HB ALA 35 4.666 4.899 3.624 242 3HB ALA 35 3HB ALA 35 4.957 5.445 5.275 243 H ALA 36 H ALA 36 2.066 3.457 3.543 244 HA ALA 36 HA ALA 36 1.772 4.123 0.918 245 1HB ALA 36 1HB ALA 36 1.523 1.873 1.512 246 2HB ALA 36 2HB ALA 36 -0.053 2.355 0.883 247 3HB ALA 36 3HB ALA 36 0.200 2.223 2.624 248 H LYS 37 H LYS 37 -0.757 4.500 3.412 249 HA LYS 37 HA LYS 37 -2.801 5.399 1.757 250 1HB LYS 37 2HB LYS 37 -2.152 5.472 4.629 251 2HB LYS 37 1HB LYS 37 -3.316 6.658 4.088 252 1HG LYS 37 2HG LYS 37 -4.501 4.741 4.849 253 2HG LYS 37 1HG LYS 37 -4.645 4.802 3.090 254 1HD LYS 37 2HD LYS 37 -2.692 3.219 2.988 255 2HD LYS 37 1HD LYS 37 -2.846 3.041 4.738 256 1HE LYS 37 2HE LYS 37 -5.204 2.325 4.392 257 2HE LYS 37 1HE LYS 37 -4.911 2.364 2.653 258 1HZ LYS 37 1HZ LYS 37 -4.669 0.143 3.787 259 2HZ LYS 37 2HZ LYS 37 -3.251 0.746 4.491 260 3HZ LYS 37 3HZ LYS 37 -3.377 0.624 2.807 261 H GLU 38 H GLU 38 -0.636 7.325 3.791 262 HA GLU 38 HA GLU 38 -1.501 9.830 2.939 263 1HB GLU 38 2HB GLU 38 1.012 8.784 4.199 264 2HB GLU 38 1HB GLU 38 0.850 10.470 3.780 265 1HG GLU 38 2HG GLU 38 0.305 10.220 6.086 266 2HG GLU 38 1HG GLU 38 -1.179 10.581 5.209 267 H PHE 39 H PHE 39 1.366 7.963 1.993 268 HA PHE 39 HA PHE 39 2.480 9.627 0.143 269 1HB PHE 39 2HB PHE 39 2.740 6.973 0.910 270 2HB PHE 39 1HB PHE 39 2.391 6.879 -0.799 271 HD1 PHE 39 HD1 PHE 39 4.976 6.615 1.237 272 HD2 PHE 39 HD2 PHE 39 3.735 9.130 -1.962 273 HE1 PHE 39 HE1 PHE 39 7.329 7.132 0.739 274 HE2 PHE 39 HE2 PHE 39 6.086 9.652 -2.467 275 HZ PHE 39 HZ PHE 39 7.886 8.652 -1.116 276 H PHE 40 H PHE 40 -0.025 7.167 -0.527 277 HA PHE 40 HA PHE 40 -0.395 8.035 -3.223 278 1HB PHE 40 2HB PHE 40 -1.936 6.219 -1.402 279 2HB PHE 40 1HB PHE 40 -2.514 6.606 -3.015 280 HD1 PHE 40 HD1 PHE 40 -0.754 4.268 -1.174 281 HD2 PHE 40 HD2 PHE 40 -0.599 6.362 -4.874 282 HE1 PHE 40 HE1 PHE 40 0.676 2.498 -2.112 283 HE2 PHE 40 HE2 PHE 40 0.828 4.596 -5.818 284 HZ PHE 40 HZ PHE 40 1.466 2.661 -4.438 285 H THR 41 H THR 41 -2.521 8.316 -0.350 286 HA THR 41 HA THR 41 -4.513 9.844 -1.500 287 HB THR 41 HB THR 41 -3.495 9.686 1.311 288 HG1 THR 41 HG1 THR 41 -5.739 8.879 -0.178 289 1HG2 THR 41 1HG2 THR 41 -5.814 11.119 1.559 290 2HG2 THR 41 2HG2 THR 41 -5.056 11.887 0.164 291 3HG2 THR 41 3HG2 THR 41 -4.189 11.794 1.696 292 H LYS 42 H LYS 42 -1.618 11.049 0.186 293 HA LYS 42 HA LYS 42 -1.907 13.750 -0.052 294 1HB LYS 42 2HB LYS 42 0.522 12.023 -0.519 295 2HB LYS 42 1HB LYS 42 0.610 13.774 -0.587 296 1HG LYS 42 2HG LYS 42 -0.054 13.937 1.722 297 2HG LYS 42 1HG LYS 42 -0.288 12.188 1.806 298 1HD LYS 42 2HD LYS 42 1.856 12.795 2.780 299 2HD LYS 42 1HD LYS 42 2.102 11.867 1.300 300 1HE LYS 42 2HE LYS 42 2.283 14.866 1.577 301 2HE LYS 42 1HE LYS 42 3.640 13.755 1.410 302 1HZ LYS 42 1HZ LYS 42 2.227 13.113 -0.745 303 2HZ LYS 42 2HZ LYS 42 3.424 14.310 -0.749 304 3HZ LYS 42 3HZ LYS 42 1.794 14.746 -0.604 305 H SER 43 H SER 43 -0.878 11.461 -2.505 306 HA SER 43 HA SER 43 -0.323 13.266 -4.562 307 1HB SER 43 2HB SER 43 -1.324 10.416 -4.759 308 2HB SER 43 1HB SER 43 -0.595 11.334 -6.075 309 HG SER 43 HG SER 43 0.617 10.426 -3.676 310 H LYS 44 H LYS 44 -3.350 11.711 -3.590 311 HA LYS 44 HA LYS 44 -5.137 13.602 -4.159 312 1HB LYS 44 2HB LYS 44 -3.871 12.998 -6.606 313 2HB LYS 44 1HB LYS 44 -5.507 12.370 -6.717 314 1HG LYS 44 2HG LYS 44 -5.285 15.072 -5.597 315 2HG LYS 44 1HG LYS 44 -4.811 14.910 -7.289 316 1HD LYS 44 2HD LYS 44 -7.428 13.981 -6.109 317 2HD LYS 44 1HD LYS 44 -7.193 15.468 -7.032 318 1HE LYS 44 2HE LYS 44 -6.405 14.093 -8.942 319 2HE LYS 44 1HE LYS 44 -6.801 12.645 -8.017 320 1HZ LYS 44 1HZ LYS 44 -8.724 12.889 -9.162 321 2HZ LYS 44 2HZ LYS 44 -8.573 14.567 -9.312 322 3HZ LYS 44 3HZ LYS 44 -9.107 13.895 -7.855 323 H LEU 45 H LEU 45 -4.552 10.229 -5.093 324 HA LEU 45 HA LEU 45 -7.211 9.400 -5.152 325 1HB LEU 45 2HB LEU 45 -4.597 8.054 -4.909 326 2HB LEU 45 1HB LEU 45 -6.009 7.123 -4.446 327 HG LEU 45 HG LEU 45 -5.371 6.744 -6.792 328 1HD1 LEU 45 1HD1 LEU 45 -7.818 6.902 -5.813 329 2HD1 LEU 45 2HD1 LEU 45 -7.528 6.626 -7.530 330 3HD1 LEU 45 3HD1 LEU 45 -7.931 8.243 -6.952 331 1HD2 LEU 45 1HD2 LEU 45 -6.305 9.474 -7.519 332 2HD2 LEU 45 2HD2 LEU 45 -5.212 8.389 -8.377 333 3HD2 LEU 45 3HD2 LEU 45 -4.644 9.273 -6.961 334 HA PRO 46 HA PRO 46 -8.320 9.460 -0.856 335 1HB PRO 46 2HB PRO 46 -10.820 8.521 -1.168 336 2HB PRO 46 1HB PRO 46 -10.363 10.155 -1.664 337 1HG PRO 46 2HG PRO 46 -10.663 7.685 -3.329 338 2HG PRO 46 1HG PRO 46 -11.218 9.336 -3.668 339 1HD PRO 46 2HD PRO 46 -8.940 8.275 -4.725 340 2HD PRO 46 1HD PRO 46 -9.152 10.009 -4.410 341 H ILE 47 H ILE 47 -8.901 7.994 0.814 342 HA ILE 47 HA ILE 47 -7.591 5.613 0.989 343 HB ILE 47 HB ILE 47 -10.229 6.194 2.336 344 1HG1 ILE 47 2HG1 ILE 47 -8.728 6.905 4.257 345 2HG1 ILE 47 1HG1 ILE 47 -7.399 6.923 3.104 346 1HG2 ILE 47 1HG2 ILE 47 -9.978 4.067 2.985 347 2HG2 ILE 47 2HG2 ILE 47 -8.779 4.729 4.096 348 3HG2 ILE 47 3HG2 ILE 47 -8.266 4.028 2.560 349 1HD1 ILE 47 1HD1 ILE 47 -8.010 8.899 2.293 350 2HD1 ILE 47 2HD1 ILE 47 -9.049 9.025 3.714 351 3HD1 ILE 47 3HD1 ILE 47 -9.707 8.430 2.187 352 H LEU 48 H LEU 48 -10.778 6.145 -0.373 353 HA LEU 48 HA LEU 48 -11.929 3.669 -0.428 354 1HB LEU 48 2HB LEU 48 -12.162 6.110 -1.869 355 2HB LEU 48 1HB LEU 48 -12.225 4.800 -3.027 356 HG LEU 48 HG LEU 48 -14.457 5.394 -2.394 357 1HD1 LEU 48 1HD1 LEU 48 -13.577 2.885 -2.468 358 2HD1 LEU 48 2HD1 LEU 48 -15.259 3.297 -2.136 359 3HD1 LEU 48 3HD1 LEU 48 -14.165 2.918 -0.805 360 1HD2 LEU 48 1HD2 LEU 48 -13.739 6.364 -0.167 361 2HD2 LEU 48 2HD2 LEU 48 -13.830 4.718 0.463 362 3HD2 LEU 48 3HD2 LEU 48 -15.272 5.491 -0.195 363 H GLU 49 H GLU 49 -10.516 4.741 -3.488 364 HA GLU 49 HA GLU 49 -10.018 2.253 -4.537 365 1HB GLU 49 2HB GLU 49 -9.124 4.971 -5.059 366 2HB GLU 49 1HB GLU 49 -7.881 3.793 -5.444 367 1HG GLU 49 2HG GLU 49 -9.209 4.312 -7.390 368 2HG GLU 49 1HG GLU 49 -9.426 2.629 -6.922 369 H LEU 50 H LEU 50 -7.832 4.262 -2.581 370 HA LEU 50 HA LEU 50 -5.550 2.769 -2.548 371 1HB LEU 50 2HB LEU 50 -6.932 4.453 -0.528 372 2HB LEU 50 1HB LEU 50 -5.636 3.429 0.058 373 HG LEU 50 HG LEU 50 -4.861 5.703 -0.442 374 1HD1 LEU 50 1HD1 LEU 50 -3.405 4.450 -2.571 375 2HD1 LEU 50 2HD1 LEU 50 -3.696 3.294 -1.270 376 3HD1 LEU 50 3HD1 LEU 50 -2.892 4.821 -0.927 377 1HD2 LEU 50 1HD2 LEU 50 -6.392 5.302 -2.840 378 2HD2 LEU 50 2HD2 LEU 50 -4.728 5.728 -3.238 379 3HD2 LEU 50 3HD2 LEU 50 -5.683 6.782 -2.197 380 H SER 51 H SER 51 -8.453 2.204 -0.593 381 HA SER 51 HA SER 51 -7.454 -0.056 0.787 382 1HB SER 51 2HB SER 51 -10.328 0.710 0.229 383 2HB SER 51 1HB SER 51 -9.782 -0.437 1.454 384 HG SER 51 HG SER 51 -9.491 2.365 1.371 385 H HIS 52 H HIS 52 -9.618 0.186 -2.060 386 HA HIS 52 HA HIS 52 -9.887 -2.608 -2.395 387 1HB HIS 52 2HB HIS 52 -11.352 -0.878 -3.485 388 2HB HIS 52 1HB HIS 52 -10.036 -0.554 -4.610 389 HD1 HIS 52 HD1 HIS 52 -11.792 -3.752 -3.446 390 HD2 HIS 52 HD2 HIS 52 -10.481 -1.858 -6.902 391 HE1 HIS 52 HE1 HIS 52 -12.319 -5.321 -5.356 392 H ILE 53 H ILE 53 -7.558 -0.304 -3.674 393 HA ILE 53 HA ILE 53 -6.241 -2.095 -5.425 394 HB ILE 53 HB ILE 53 -5.257 0.457 -4.146 395 1HG1 ILE 53 2HG1 ILE 53 -7.198 0.743 -5.615 396 2HG1 ILE 53 1HG1 ILE 53 -5.755 1.435 -6.349 397 1HG2 ILE 53 1HG2 ILE 53 -3.268 -0.530 -4.758 398 2HG2 ILE 53 2HG2 ILE 53 -3.697 0.319 -6.243 399 3HG2 ILE 53 3HG2 ILE 53 -3.997 -1.412 -6.100 400 1HD1 ILE 53 1HD1 ILE 53 -6.706 -1.332 -7.009 401 2HD1 ILE 53 2HD1 ILE 53 -5.582 -0.309 -7.906 402 3HD1 ILE 53 3HD1 ILE 53 -7.297 0.099 -7.853 403 H TRP 54 H TRP 54 -5.308 -0.914 -2.158 404 HA TRP 54 HA TRP 54 -2.938 -2.215 -1.798 405 1HB TRP 54 2HB TRP 54 -3.921 -0.799 -0.060 406 2HB TRP 54 1HB TRP 54 -5.169 -2.009 0.233 407 HD1 TRP 54 HD1 TRP 54 -4.467 -4.221 1.552 408 HE1 TRP 54 HE1 TRP 54 -2.451 -4.768 3.047 409 HE3 TRP 54 HE3 TRP 54 -1.409 -0.325 0.273 410 HZ2 TRP 54 HZ2 TRP 54 0.088 -3.687 3.634 411 HZ3 TRP 54 HZ3 TRP 54 0.792 -0.150 1.353 412 HH2 TRP 54 HH2 TRP 54 1.527 -1.797 2.999 413 H GLU 55 H GLU 55 -6.118 -3.621 -1.005 414 HA GLU 55 HA GLU 55 -5.255 -6.149 -0.292 415 1HB GLU 55 2HB GLU 55 -7.760 -4.937 -1.089 416 2HB GLU 55 1HB GLU 55 -7.634 -6.568 -1.725 417 1HG GLU 55 2HG GLU 55 -8.768 -6.433 0.462 418 2HG GLU 55 1HG GLU 55 -7.352 -7.477 0.462 419 H LEU 56 H LEU 56 -6.294 -5.096 -3.554 420 HA LEU 56 HA LEU 56 -5.738 -7.396 -4.976 421 1HB LEU 56 2HB LEU 56 -5.310 -4.525 -5.823 422 2HB LEU 56 1HB LEU 56 -5.326 -5.892 -6.921 423 HG LEU 56 HG LEU 56 -7.670 -5.115 -5.189 424 1HD1 LEU 56 1HD1 LEU 56 -7.399 -4.630 -8.144 425 2HD1 LEU 56 2HD1 LEU 56 -7.011 -3.401 -6.939 426 3HD1 LEU 56 3HD1 LEU 56 -8.649 -4.047 -7.046 427 1HD2 LEU 56 1HD2 LEU 56 -7.037 -7.354 -6.925 428 2HD2 LEU 56 2HD2 LEU 56 -8.532 -6.540 -7.388 429 3HD2 LEU 56 3HD2 LEU 56 -8.339 -7.167 -5.750 430 H SER 57 H SER 57 -3.514 -4.788 -4.099 431 HA SER 57 HA SER 57 -1.254 -5.976 -5.367 432 1HB SER 57 2HB SER 57 -1.533 -3.720 -3.389 433 2HB SER 57 1HB SER 57 0.012 -4.222 -4.065 434 HG SER 57 HG SER 57 -0.477 -3.045 -5.734 435 H ASP 58 H ASP 58 -2.733 -6.445 -2.266 436 HA ASP 58 HA ASP 58 -0.287 -7.689 -1.209 437 1HB ASP 58 2HB ASP 58 -1.928 -6.151 0.160 438 2HB ASP 58 1HB ASP 58 -2.851 -7.642 0.333 439 H PHE 59 H PHE 59 -0.993 -9.106 -3.272 440 HA PHE 59 HA PHE 59 -2.963 -11.023 -3.111 441 1HB PHE 59 2HB PHE 59 -0.176 -11.266 -4.244 442 2HB PHE 59 1HB PHE 59 -1.447 -12.455 -4.506 443 HD1 PHE 59 HD1 PHE 59 0.165 -9.720 -5.893 444 HD2 PHE 59 HD2 PHE 59 -3.732 -11.351 -5.379 445 HE1 PHE 59 HE1 PHE 59 -0.622 -8.445 -7.845 446 HE2 PHE 59 HE2 PHE 59 -4.524 -10.079 -7.330 447 HZ PHE 59 HZ PHE 59 -2.968 -8.626 -8.568 448 H ASP 60 H ASP 60 -0.366 -10.638 -0.993 449 HA ASP 60 HA ASP 60 -0.294 -13.458 -0.226 450 1HB ASP 60 2HB ASP 60 1.586 -12.712 1.227 451 2HB ASP 60 1HB ASP 60 1.829 -12.346 -0.482 452 H LYS 61 H LYS 61 -1.314 -10.317 1.084 453 HA LYS 61 HA LYS 61 -2.738 -9.848 2.810 454 1HB LYS 61 2HB LYS 61 -3.173 -12.724 2.448 455 2HB LYS 61 1HB LYS 61 -3.497 -12.148 4.078 456 1HG LYS 61 2HG LYS 61 -5.495 -12.127 2.662 457 2HG LYS 61 1HG LYS 61 -5.053 -10.513 3.223 458 1HD LYS 61 2HD LYS 61 -5.702 -10.541 0.847 459 2HD LYS 61 1HD LYS 61 -4.041 -10.004 1.097 460 1HE LYS 61 2HE LYS 61 -3.187 -12.149 0.437 461 2HE LYS 61 1HE LYS 61 -4.816 -12.820 0.350 462 1HZ LYS 61 1HZ LYS 61 -3.813 -12.181 -1.825 463 2HZ LYS 61 2HZ LYS 61 -3.885 -10.563 -1.332 464 3HZ LYS 61 3HZ LYS 61 -5.312 -11.457 -1.510 465 H ASP 62 H ASP 62 -0.401 -9.252 3.448 466 HA ASP 62 HA ASP 62 0.201 -10.620 6.002 467 1HB ASP 62 2HB ASP 62 2.502 -10.281 5.662 468 2HB ASP 62 1HB ASP 62 1.897 -10.746 4.073 469 H GLY 63 H GLY 63 0.660 -7.486 4.353 470 1HA GLY 63 2HA GLY 63 -0.651 -5.728 5.807 471 2HA GLY 63 1HA GLY 63 0.575 -6.181 6.980 472 H ALA 64 H ALA 64 2.468 -6.573 4.608 473 HA ALA 64 HA ALA 64 3.003 -3.695 4.181 474 1HB ALA 64 1HB ALA 64 4.750 -5.864 5.167 475 2HB ALA 64 2HB ALA 64 4.753 -4.139 5.537 476 3HB ALA 64 3HB ALA 64 5.474 -4.720 4.036 477 H LEU 65 H LEU 65 3.884 -3.065 2.236 478 HA LEU 65 HA LEU 65 3.510 -4.951 0.031 479 1HB LEU 65 2HB LEU 65 3.126 -2.059 0.370 480 2HB LEU 65 1HB LEU 65 3.891 -2.510 -1.141 481 HG LEU 65 HG LEU 65 2.020 -3.852 -1.783 482 1HD1 LEU 65 1HD1 LEU 65 0.081 -3.386 0.168 483 2HD1 LEU 65 2HD1 LEU 65 1.528 -3.897 1.035 484 3HD1 LEU 65 3HD1 LEU 65 0.856 -4.918 -0.236 485 1HD2 LEU 65 1HD2 LEU 65 1.302 -1.154 -0.691 486 2HD2 LEU 65 2HD2 LEU 65 0.153 -2.135 -1.600 487 3HD2 LEU 65 3HD2 LEU 65 1.657 -1.608 -2.357 488 H THR 66 H THR 66 5.238 -5.819 -0.829 489 HA THR 66 HA THR 66 7.893 -4.883 -0.316 490 HB THR 66 HB THR 66 7.566 -7.253 -0.552 491 HG1 THR 66 HG1 THR 66 9.499 -7.059 -1.408 492 1HG2 THR 66 1HG2 THR 66 6.987 -7.420 -3.374 493 2HG2 THR 66 2HG2 THR 66 5.723 -6.528 -2.526 494 3HG2 THR 66 3HG2 THR 66 6.145 -8.161 -2.013 495 H LEU 67 H LEU 67 9.415 -4.221 -2.026 496 HA LEU 67 HA LEU 67 8.658 -2.108 -3.550 497 1HB LEU 67 2HB LEU 67 10.963 -3.642 -3.315 498 2HB LEU 67 1HB LEU 67 10.577 -3.723 -5.024 499 HG LEU 67 HG LEU 67 10.939 -1.170 -3.449 500 1HD1 LEU 67 1HD1 LEU 67 12.741 -2.421 -5.515 501 2HD1 LEU 67 2HD1 LEU 67 13.023 -2.469 -3.775 502 3HD1 LEU 67 3HD1 LEU 67 13.024 -0.924 -4.627 503 1HD2 LEU 67 1HD2 LEU 67 10.249 -0.021 -5.236 504 2HD2 LEU 67 2HD2 LEU 67 9.495 -1.531 -5.749 505 3HD2 LEU 67 3HD2 LEU 67 11.090 -1.088 -6.360 506 H ASP 68 H ASP 68 8.377 -5.523 -4.433 507 HA ASP 68 HA ASP 68 7.566 -5.175 -7.113 508 1HB ASP 68 2HB ASP 68 7.917 -7.327 -5.306 509 2HB ASP 68 1HB ASP 68 6.274 -7.435 -5.916 510 H GLU 69 H GLU 69 5.664 -5.802 -4.173 511 HA GLU 69 HA GLU 69 3.117 -5.504 -5.244 512 1HB GLU 69 2HB GLU 69 4.189 -4.887 -2.479 513 2HB GLU 69 1HB GLU 69 2.481 -4.800 -2.882 514 1HG GLU 69 2HG GLU 69 2.410 -7.143 -3.358 515 2HG GLU 69 1HG GLU 69 4.156 -7.279 -3.205 516 H PHE 70 H PHE 70 5.432 -3.179 -4.053 517 HA PHE 70 HA PHE 70 3.906 -0.842 -4.151 518 1HB PHE 70 2HB PHE 70 6.008 -0.722 -3.068 519 2HB PHE 70 1HB PHE 70 6.846 -1.432 -4.438 520 HD1 PHE 70 HD1 PHE 70 8.514 0.258 -4.558 521 HD2 PHE 70 HD2 PHE 70 4.384 1.249 -4.823 522 HE1 PHE 70 HE1 PHE 70 9.107 2.495 -5.387 523 HE2 PHE 70 HE2 PHE 70 4.969 3.490 -5.649 524 HZ PHE 70 HZ PHE 70 7.336 4.121 -5.919 525 H CYS 71 H CYS 71 6.116 -2.199 -6.585 526 HA CYS 71 HA CYS 71 5.709 -0.366 -8.615 527 1HB CYS 71 2HB CYS 71 6.856 -2.966 -8.388 528 2HB CYS 71 1HB CYS 71 5.806 -2.972 -9.799 529 HG CYS 71 HG CYS 71 8.629 -2.385 -10.307 530 H ALA 72 H ALA 72 3.922 -3.414 -8.108 531 HA ALA 72 HA ALA 72 2.077 -3.045 -10.176 532 1HB ALA 72 1HB ALA 72 1.514 -4.459 -7.578 533 2HB ALA 72 2HB ALA 72 2.467 -5.153 -8.889 534 3HB ALA 72 3HB ALA 72 0.769 -4.753 -9.149 535 H ALA 73 H ALA 73 1.823 -2.177 -6.739 536 HA ALA 73 HA ALA 73 -0.752 -1.108 -6.809 537 1HB ALA 73 1HB ALA 73 1.546 -1.001 -5.010 538 2HB ALA 73 2HB ALA 73 -0.172 -1.172 -4.650 539 3HB ALA 73 3HB ALA 73 0.511 0.428 -4.935 540 H PHE 74 H PHE 74 2.355 0.630 -7.085 541 HA PHE 74 HA PHE 74 1.312 3.170 -7.512 542 1HB PHE 74 2HB PHE 74 3.711 2.662 -7.097 543 2HB PHE 74 1HB PHE 74 3.832 2.023 -8.734 544 HD1 PHE 74 HD1 PHE 74 4.256 3.436 -10.540 545 HD2 PHE 74 HD2 PHE 74 3.076 5.085 -6.802 546 HE1 PHE 74 HE1 PHE 74 4.770 5.691 -11.379 547 HE2 PHE 74 HE2 PHE 74 3.584 7.343 -7.633 548 HZ PHE 74 HZ PHE 74 4.431 7.649 -9.924 549 H HIS 75 H HIS 75 2.411 0.844 -10.013 550 HA HIS 75 HA HIS 75 1.623 2.362 -12.224 551 1HB HIS 75 2HB HIS 75 2.809 -0.084 -11.803 552 2HB HIS 75 1HB HIS 75 1.280 -0.526 -12.537 553 HD1 HIS 75 HD1 HIS 75 0.791 0.922 -14.891 554 HD2 HIS 75 HD2 HIS 75 4.715 0.512 -13.592 555 HE1 HIS 75 HE1 HIS 75 2.256 1.404 -16.893 556 H LEU 76 H LEU 76 -0.092 -0.296 -10.606 557 HA LEU 76 HA LEU 76 -2.435 -0.258 -12.074 558 1HB LEU 76 2HB LEU 76 -1.447 -1.643 -9.973 559 2HB LEU 76 1HB LEU 76 -2.669 -0.681 -9.165 560 HG LEU 76 HG LEU 76 -3.491 -2.872 -9.795 561 1HD1 LEU 76 1HD1 LEU 76 -5.412 -1.960 -11.341 562 2HD1 LEU 76 2HD1 LEU 76 -4.662 -0.407 -10.976 563 3HD1 LEU 76 3HD1 LEU 76 -5.266 -1.424 -9.667 564 1HD2 LEU 76 1HD2 LEU 76 -3.787 -2.501 -12.612 565 2HD2 LEU 76 2HD2 LEU 76 -3.006 -3.820 -11.739 566 3HD2 LEU 76 3HD2 LEU 76 -2.084 -2.382 -12.174 567 H VAL 77 H VAL 77 -1.705 1.482 -9.051 568 HA VAL 77 HA VAL 77 -4.115 2.799 -8.721 569 HB VAL 77 HB VAL 77 -1.332 3.745 -8.030 570 1HG1 VAL 77 1HG1 VAL 77 -3.973 4.902 -7.146 571 2HG1 VAL 77 2HG1 VAL 77 -2.834 5.669 -8.254 572 3HG1 VAL 77 3HG1 VAL 77 -2.381 5.394 -6.571 573 1HG2 VAL 77 1HG2 VAL 77 -2.123 1.704 -6.893 574 2HG2 VAL 77 2HG2 VAL 77 -3.528 2.595 -6.313 575 3HG2 VAL 77 3HG2 VAL 77 -1.911 3.054 -5.778 576 H VAL 78 H VAL 78 -1.292 3.793 -10.590 577 HA VAL 78 HA VAL 78 -2.194 6.284 -11.446 578 HB VAL 78 HB VAL 78 -0.506 4.245 -12.896 579 1HG1 VAL 78 1HG1 VAL 78 -1.039 5.592 -14.660 580 2HG1 VAL 78 2HG1 VAL 78 0.298 6.527 -13.988 581 3HG1 VAL 78 3HG1 VAL 78 -1.368 6.988 -13.632 582 1HG2 VAL 78 1HG2 VAL 78 1.381 5.487 -12.094 583 2HG2 VAL 78 2HG2 VAL 78 0.351 5.089 -10.719 584 3HG2 VAL 78 3HG2 VAL 78 0.328 6.718 -11.395 585 H ALA 79 H ALA 79 -2.508 3.137 -13.091 586 HA ALA 79 HA ALA 79 -3.958 3.904 -15.297 587 1HB ALA 79 1HB ALA 79 -4.095 1.374 -13.684 588 2HB ALA 79 2HB ALA 79 -3.187 1.679 -15.164 589 3HB ALA 79 3HB ALA 79 -4.947 1.586 -15.215 590 H ARG 80 H ARG 80 -5.268 3.052 -12.087 591 HA ARG 80 HA ARG 80 -7.955 3.060 -12.522 592 1HB ARG 80 2HB ARG 80 -6.299 3.183 -10.315 593 2HB ARG 80 1HB ARG 80 -7.234 4.662 -10.198 594 1HG ARG 80 2HG ARG 80 -8.759 2.207 -10.771 595 2HG ARG 80 1HG ARG 80 -8.014 2.307 -9.178 596 1HD ARG 80 2HD ARG 80 -10.137 3.230 -8.854 597 2HD ARG 80 1HD ARG 80 -9.096 4.629 -9.048 598 HE ARG 80 HE ARG 80 -9.967 4.303 -11.546 599 1HH1 ARG 80 2HH1 ARG 80 -11.767 3.958 -8.624 600 2HH1 ARG 80 1HH1 ARG 80 -13.142 4.816 -9.225 601 1HH2 ARG 80 1HH2 ARG 80 -11.716 5.464 -12.323 602 2HH2 ARG 80 2HH2 ARG 80 -13.126 5.643 -11.334 603 H LYS 81 H LYS 81 -5.813 5.791 -12.627 604 HA LYS 81 HA LYS 81 -7.632 7.884 -12.355 605 1HB LYS 81 2HB LYS 81 -4.926 7.530 -13.297 606 2HB LYS 81 1HB LYS 81 -5.781 8.682 -14.310 607 1HG LYS 81 2HG LYS 81 -6.383 9.955 -12.282 608 2HG LYS 81 1HG LYS 81 -5.408 8.832 -11.327 609 1HD LYS 81 2HD LYS 81 -4.350 10.467 -13.632 610 2HD LYS 81 1HD LYS 81 -4.227 10.945 -11.940 611 1HE LYS 81 2HE LYS 81 -3.097 8.401 -13.104 612 2HE LYS 81 1HE LYS 81 -2.173 9.872 -12.794 613 1HZ LYS 81 1HZ LYS 81 -1.873 9.167 -10.736 614 2HZ LYS 81 2HZ LYS 81 -2.858 7.816 -10.993 615 3HZ LYS 81 3HZ LYS 81 -3.537 9.268 -10.457 616 H ASN 82 H ASN 82 -6.640 6.115 -15.257 617 HA ASN 82 HA ASN 82 -8.664 7.496 -16.846 618 1HB ASN 82 2HB ASN 82 -6.336 5.724 -17.527 619 2HB ASN 82 1HB ASN 82 -7.597 6.045 -18.712 620 1HD2 ASN 82 1HD2 ASN 82 -7.078 7.623 -20.064 621 2HD2 ASN 82 2HD2 ASN 82 -6.126 9.012 -19.681 622 H GLY 83 H GLY 83 -9.634 5.700 -14.836 623 1HA GLY 83 2HA GLY 83 -11.415 4.160 -16.479 624 2HA GLY 83 1HA GLY 83 -10.258 3.127 -15.655 625 H TYR 84 H TYR 84 -13.318 4.178 -15.479 626 HA TYR 84 HA TYR 84 -13.425 4.685 -12.631 627 1HB TYR 84 2HB TYR 84 -15.486 4.735 -14.804 628 2HB TYR 84 1HB TYR 84 -15.923 4.880 -13.104 629 HD1 TYR 84 HD1 TYR 84 -16.752 7.108 -13.149 630 HD2 TYR 84 HD2 TYR 84 -12.847 6.265 -14.613 631 HE1 TYR 84 HE1 TYR 84 -16.256 9.516 -13.198 632 HE2 TYR 84 HE2 TYR 84 -12.342 8.668 -14.670 633 HH TYR 84 HH TYR 84 -13.061 10.721 -13.746 634 H ASP 85 H ASP 85 -14.516 2.107 -14.822 635 HA ASP 85 HA ASP 85 -16.052 0.641 -13.051 636 1HB ASP 85 2HB ASP 85 -15.834 0.112 -15.451 637 2HB ASP 85 1HB ASP 85 -14.206 -0.498 -15.157 638 H LEU 86 H LEU 86 -15.639 -1.221 -11.757 639 HA LEU 86 HA LEU 86 -12.868 -1.608 -10.886 640 1HB LEU 86 2HB LEU 86 -15.202 -1.113 -9.045 641 2HB LEU 86 1HB LEU 86 -13.632 -1.687 -8.523 642 HG LEU 86 HG LEU 86 -14.149 0.975 -9.847 643 1HD1 LEU 86 1HD1 LEU 86 -14.673 1.746 -7.836 644 2HD1 LEU 86 2HD1 LEU 86 -13.125 1.180 -7.208 645 3HD1 LEU 86 3HD1 LEU 86 -14.533 0.119 -7.171 646 1HD2 LEU 86 1HD2 LEU 86 -11.641 0.205 -8.419 647 2HD2 LEU 86 2HD2 LEU 86 -11.895 1.432 -9.661 648 3HD2 LEU 86 3HD2 LEU 86 -11.875 -0.276 -10.100 649 HA PRO 87 HA PRO 87 -13.990 -5.860 -11.487 650 1HB PRO 87 2HB PRO 87 -11.891 -6.889 -10.009 651 2HB PRO 87 1HB PRO 87 -11.802 -6.415 -11.708 652 1HG PRO 87 2HG PRO 87 -10.974 -4.894 -9.271 653 2HG PRO 87 1HG PRO 87 -10.170 -5.016 -10.847 654 1HD PRO 87 2HD PRO 87 -11.591 -2.847 -10.174 655 2HD PRO 87 1HD PRO 87 -11.595 -3.477 -11.835 656 H GLU 88 H GLU 88 -13.601 -4.369 -8.353 657 HA GLU 88 HA GLU 88 -14.391 -4.909 -6.269 658 1HB GLU 88 2HB GLU 88 -16.542 -6.167 -7.971 659 2HB GLU 88 1HB GLU 88 -16.689 -5.851 -6.250 660 1HG GLU 88 2HG GLU 88 -16.565 -3.487 -6.616 661 2HG GLU 88 1HG GLU 88 -16.216 -3.727 -8.329 662 H LYS 89 H LYS 89 -12.444 -6.756 -7.157 663 HA LYS 89 HA LYS 89 -13.273 -9.444 -6.892 664 1HB LYS 89 2HB LYS 89 -10.778 -8.017 -7.211 665 2HB LYS 89 1HB LYS 89 -10.604 -9.377 -6.112 666 1HG LYS 89 2HG LYS 89 -10.078 -9.951 -8.440 667 2HG LYS 89 1HG LYS 89 -11.409 -10.901 -7.788 668 1HD LYS 89 2HD LYS 89 -11.763 -8.453 -9.517 669 2HD LYS 89 1HD LYS 89 -11.755 -10.106 -10.132 670 1HE LYS 89 2HE LYS 89 -13.637 -10.581 -8.511 671 2HE LYS 89 1HE LYS 89 -13.723 -8.842 -8.240 672 1HZ LYS 89 1HZ LYS 89 -14.934 -10.299 -10.259 673 2HZ LYS 89 2HZ LYS 89 -13.738 -9.367 -11.007 674 3HZ LYS 89 3HZ LYS 89 -14.924 -8.620 -10.061 675 H LEU 90 H LEU 90 -11.855 -7.231 -4.513 676 HA LEU 90 HA LEU 90 -11.802 -9.170 -2.436 677 1HB LEU 90 2HB LEU 90 -10.787 -6.627 -2.859 678 2HB LEU 90 1HB LEU 90 -11.927 -6.410 -1.546 679 HG LEU 90 HG LEU 90 -9.633 -6.827 -0.755 680 1HD1 LEU 90 1HD1 LEU 90 -12.000 -8.060 0.108 681 2HD1 LEU 90 2HD1 LEU 90 -10.550 -7.716 1.050 682 3HD1 LEU 90 3HD1 LEU 90 -10.725 -9.273 0.242 683 1HD2 LEU 90 1HD2 LEU 90 -9.714 -9.682 -1.435 684 2HD2 LEU 90 2HD2 LEU 90 -8.355 -8.557 -1.404 685 3HD2 LEU 90 3HD2 LEU 90 -9.437 -8.596 -2.797 686 HA PRO 91 HA PRO 91 -16.130 -8.788 -1.335 687 1HB PRO 91 2HB PRO 91 -16.205 -10.757 0.471 688 2HB PRO 91 1HB PRO 91 -16.004 -11.100 -1.252 689 1HG PRO 91 2HG PRO 91 -13.958 -11.059 0.925 690 2HG PRO 91 1HG PRO 91 -14.123 -12.178 -0.440 691 1HD PRO 91 2HD PRO 91 -12.386 -10.021 -0.345 692 2HD PRO 91 1HD PRO 91 -12.931 -10.822 -1.830 693 H GLU 92 H GLU 92 -17.422 -8.247 0.559 694 HA GLU 92 HA GLU 92 -16.396 -6.226 2.141 695 1HB GLU 92 2HB GLU 92 -18.774 -8.014 2.617 696 2HB GLU 92 1HB GLU 92 -18.423 -6.591 3.587 697 1HG GLU 92 2HG GLU 92 -18.948 -6.617 0.624 698 2HG GLU 92 1HG GLU 92 -20.089 -6.129 1.876 699 H SER 93 H SER 93 -17.262 -9.479 3.407 700 HA SER 93 HA SER 93 -14.972 -9.275 5.229 701 1HB SER 93 2HB SER 93 -16.987 -8.331 6.370 702 2HB SER 93 1HB SER 93 -17.746 -9.916 6.232 703 HG SER 93 HG SER 93 -16.576 -9.399 8.257 704 H LEU 94 H LEU 94 -15.202 -11.004 3.014 705 HA LEU 94 HA LEU 94 -15.808 -13.609 4.222 706 1HB LEU 94 2HB LEU 94 -15.386 -12.729 1.379 707 2HB LEU 94 1HB LEU 94 -15.348 -14.424 1.826 708 HG LEU 94 HG LEU 94 -17.701 -12.572 2.237 709 1HD1 LEU 94 1HD1 LEU 94 -16.807 -13.939 -0.081 710 2HD1 LEU 94 2HD1 LEU 94 -18.304 -13.036 0.154 711 3HD1 LEU 94 3HD1 LEU 94 -18.250 -14.762 0.514 712 1HD2 LEU 94 1HD2 LEU 94 -18.858 -14.341 3.156 713 2HD2 LEU 94 2HD2 LEU 94 -17.243 -14.601 3.815 714 3HD2 LEU 94 3HD2 LEU 94 -17.796 -15.548 2.433 715 H MET 95 H MET 95 -13.225 -11.995 2.400 716 HA MET 95 HA MET 95 -11.309 -14.046 3.086 717 1HB MET 95 2HB MET 95 -11.302 -11.593 1.405 718 2HB MET 95 1HB MET 95 -9.759 -12.151 2.031 719 1HG MET 95 2HG MET 95 -10.119 -14.323 0.983 720 2HG MET 95 1HG MET 95 -11.668 -13.761 0.351 721 1HE MET 95 1HE MET 95 -10.878 -14.083 -2.499 722 2HE MET 95 2HE MET 95 -9.927 -15.084 -1.400 723 3HE MET 95 3HE MET 95 -9.119 -14.121 -2.639 724 HA PRO 96 HA PRO 96 -10.181 -11.826 6.809 725 1HB PRO 96 2HB PRO 96 -8.576 -13.714 7.842 726 2HB PRO 96 1HB PRO 96 -10.335 -13.904 7.822 727 1HG PRO 96 2HG PRO 96 -8.276 -15.112 6.027 728 2HG PRO 96 1HG PRO 96 -9.748 -15.839 6.695 729 1HD PRO 96 2HD PRO 96 -9.510 -14.823 4.133 730 2HD PRO 96 1HD PRO 96 -11.044 -15.042 4.997 731 H LYS 97 HN LYS 97 -7.683 -11.945 7.931 732 HA LYS 97 HA LYS 97 -5.750 -11.444 5.799 733 1HB LYS 97 2HB LYS 97 -6.296 -9.412 7.958 734 2HB LYS 97 1HB LYS 97 -5.098 -9.282 6.677 735 1HG LYS 97 2HG LYS 97 -7.222 -9.599 5.142 736 2HG LYS 97 1HG LYS 97 -8.044 -8.955 6.566 737 1HD LYS 97 2HD LYS 97 -6.583 -7.003 6.540 738 2HD LYS 97 1HD LYS 97 -5.723 -7.653 5.144 739 1HE LYS 97 2HE LYS 97 -7.836 -7.575 3.857 740 2HE LYS 97 1HE LYS 97 -8.624 -6.826 5.247 741 1HZ LYS 97 1HZ LYS 97 -6.285 -5.683 3.813 742 2HZ LYS 97 2HZ LYS 97 -7.141 -4.950 5.069 743 3HZ LYS 97 3HZ LYS 97 -7.885 -5.197 3.570 Start of MODEL 15 1 1H TRP 6 1H TRP 6 -2.066 -1.887 -21.462 2 2H TRP 6 2H TRP 6 -1.295 -3.277 -22.035 3 3H TRP 6 3H TRP 6 -0.379 -1.933 -21.578 4 HA TRP 6 HA TRP 6 -1.252 -2.194 -19.282 5 1HB TRP 6 2HB TRP 6 -3.233 -3.511 -19.995 6 2HB TRP 6 1HB TRP 6 -2.169 -4.854 -20.399 7 HD1 TRP 6 HD1 TRP 6 -2.233 -6.645 -18.587 8 HE1 TRP 6 HE1 TRP 6 -2.473 -6.687 -16.026 9 HE3 TRP 6 HE3 TRP 6 -2.648 -1.617 -17.718 10 HZ2 TRP 6 HZ2 TRP 6 -2.799 -4.842 -13.918 11 HZ3 TRP 6 HZ3 TRP 6 -2.923 -0.844 -15.393 12 HH2 TRP 6 HH2 TRP 6 -2.995 -2.424 -13.537 13 H LYS 7 H LYS 7 1.131 -1.961 -19.554 14 HA LYS 7 HA LYS 7 2.436 -4.356 -18.614 15 1HB LYS 7 2HB LYS 7 4.126 -4.506 -20.297 16 2HB LYS 7 1HB LYS 7 2.568 -4.539 -21.115 17 1HG LYS 7 2HG LYS 7 2.835 -2.421 -21.998 18 2HG LYS 7 1HG LYS 7 4.028 -1.955 -20.781 19 1HD LYS 7 2HD LYS 7 5.647 -3.498 -21.788 20 2HD LYS 7 1HD LYS 7 4.449 -3.951 -23.008 21 1HE LYS 7 2HE LYS 7 5.483 -1.150 -22.583 22 2HE LYS 7 1HE LYS 7 6.112 -2.270 -23.793 23 1HZ LYS 7 1HZ LYS 7 3.959 -0.548 -24.046 24 2HZ LYS 7 2HZ LYS 7 3.299 -2.105 -23.995 25 3HZ LYS 7 3HZ LYS 7 4.471 -1.721 -25.152 26 H ILE 8 H ILE 8 4.018 -3.844 -17.207 27 HA ILE 8 HA ILE 8 4.458 -1.079 -16.605 28 HB ILE 8 HB ILE 8 5.832 -3.490 -15.426 29 1HG1 ILE 8 2HG1 ILE 8 3.344 -2.011 -14.538 30 2HG1 ILE 8 1HG1 ILE 8 3.397 -3.643 -15.196 31 1HG2 ILE 8 1HG2 ILE 8 7.116 -1.830 -14.592 32 2HG2 ILE 8 2HG2 ILE 8 5.768 -1.642 -13.470 33 3HG2 ILE 8 3HG2 ILE 8 5.892 -0.594 -14.884 34 1HD1 ILE 8 1HD1 ILE 8 3.199 -3.351 -12.664 35 2HD1 ILE 8 2HD1 ILE 8 4.911 -2.929 -12.720 36 3HD1 ILE 8 3HD1 ILE 8 4.373 -4.513 -13.279 37 H THR 9 H THR 9 6.346 0.128 -16.789 38 HA THR 9 HA THR 9 8.496 -1.122 -18.385 39 HB THR 9 HB THR 9 7.615 1.754 -18.688 40 HG1 THR 9 HG1 THR 9 5.969 0.396 -19.473 41 1HG2 THR 9 1HG2 THR 9 8.897 1.380 -20.899 42 2HG2 THR 9 2HG2 THR 9 9.597 -0.018 -20.083 43 3HG2 THR 9 3HG2 THR 9 9.829 1.598 -19.418 44 H ASP 10 H ASP 10 10.536 -0.806 -17.634 45 HA ASP 10 HA ASP 10 11.055 -0.075 -15.073 46 1HB ASP 10 2HB ASP 10 12.653 -1.186 -16.693 47 2HB ASP 10 1HB ASP 10 13.057 0.432 -17.263 48 H GLU 11 H GLU 11 10.714 2.042 -17.826 49 HA GLU 11 HA GLU 11 11.852 4.395 -16.883 50 1HB GLU 11 2HB GLU 11 10.073 3.603 -18.976 51 2HB GLU 11 1HB GLU 11 9.411 5.039 -18.208 52 1HG GLU 11 2HG GLU 11 12.268 5.227 -18.753 53 2HG GLU 11 1HG GLU 11 11.284 5.001 -20.198 54 H GLN 12 H GLN 12 8.377 3.568 -16.720 55 HA GLN 12 HA GLN 12 7.667 5.523 -14.829 56 1HB GLN 12 2HB GLN 12 6.494 2.957 -15.836 57 2HB GLN 12 1HB GLN 12 5.744 3.751 -14.471 58 1HG GLN 12 2HG GLN 12 5.267 5.693 -15.763 59 2HG GLN 12 1HG GLN 12 6.260 5.104 -17.096 60 1HE2 GLN 12 1HE2 GLN 12 4.818 2.425 -15.998 61 2HE2 GLN 12 2HE2 GLN 12 3.405 2.417 -16.986 62 H ARG 13 H ARG 13 8.636 2.174 -14.596 63 HA ARG 13 HA ARG 13 8.241 1.607 -11.943 64 1HB ARG 13 2HB ARG 13 9.016 -0.028 -13.518 65 2HB ARG 13 1HB ARG 13 10.496 0.873 -13.793 66 1HG ARG 13 2HG ARG 13 9.836 -0.232 -11.105 67 2HG ARG 13 1HG ARG 13 10.583 -1.234 -12.367 68 1HD ARG 13 2HD ARG 13 12.168 0.945 -12.469 69 2HD ARG 13 1HD ARG 13 11.696 0.969 -10.764 70 HE ARG 13 HE ARG 13 13.613 -0.693 -11.858 71 1HH1 ARG 13 2HH1 ARG 13 10.752 -0.980 -9.927 72 2HH1 ARG 13 1HH1 ARG 13 11.296 -2.408 -9.116 73 1HH2 ARG 13 1HH2 ARG 13 14.301 -2.594 -10.838 74 2HH2 ARG 13 2HH2 ARG 13 13.300 -3.317 -9.629 75 H GLN 14 H GLN 14 11.191 3.064 -13.360 76 HA GLN 14 HA GLN 14 12.379 3.608 -10.822 77 1HB GLN 14 2HB GLN 14 14.059 4.821 -12.068 78 2HB GLN 14 1HB GLN 14 13.705 3.321 -12.904 79 1HG GLN 14 2HG GLN 14 12.397 4.482 -14.548 80 2HG GLN 14 1HG GLN 14 12.550 5.996 -13.657 81 1HE2 GLN 14 1HE2 GLN 14 15.400 4.368 -13.371 82 2HE2 GLN 14 2HE2 GLN 14 16.271 5.097 -14.674 83 H TYR 15 H TYR 15 10.671 5.522 -13.255 84 HA TYR 15 HA TYR 15 10.821 8.054 -12.300 85 1HB TYR 15 2HB TYR 15 9.362 6.914 -14.214 86 2HB TYR 15 1HB TYR 15 8.095 7.060 -13.001 87 HD1 TYR 15 HD1 TYR 15 10.901 9.353 -13.920 88 HD2 TYR 15 HD2 TYR 15 6.697 8.772 -13.656 89 HE1 TYR 15 HE1 TYR 15 10.542 11.686 -14.611 90 HE2 TYR 15 HE2 TYR 15 6.324 11.102 -14.343 91 HH TYR 15 HH TYR 15 8.362 12.912 -15.863 92 H TYR 16 H TYR 16 8.656 5.511 -11.128 93 HA TYR 16 HA TYR 16 7.439 7.093 -9.083 94 1HB TYR 16 2HB TYR 16 7.619 4.081 -9.282 95 2HB TYR 16 1HB TYR 16 6.458 5.007 -8.338 96 HD1 TYR 16 HD1 TYR 16 5.472 2.979 -10.123 97 HD2 TYR 16 HD2 TYR 16 6.495 7.018 -10.977 98 HE1 TYR 16 HE1 TYR 16 3.911 2.967 -12.021 99 HE2 TYR 16 HE2 TYR 16 4.937 7.017 -12.878 100 HH TYR 16 HH TYR 16 2.555 5.049 -13.297 101 H VAL 17 H VAL 17 9.838 4.446 -8.977 102 HA VAL 17 HA VAL 17 10.330 4.387 -6.271 103 HB VAL 17 HB VAL 17 12.404 4.108 -8.456 104 1HG1 VAL 17 1HG1 VAL 17 13.414 2.550 -6.656 105 2HG1 VAL 17 2HG1 VAL 17 12.419 3.470 -5.528 106 3HG1 VAL 17 3HG1 VAL 17 13.642 4.292 -6.498 107 1HG2 VAL 17 1HG2 VAL 17 10.197 2.642 -8.311 108 2HG2 VAL 17 2HG2 VAL 17 11.154 1.778 -7.107 109 3HG2 VAL 17 3HG2 VAL 17 11.754 1.944 -8.757 110 H ASN 18 H ASN 18 11.401 6.716 -8.640 111 HA ASN 18 HA ASN 18 13.427 7.996 -7.290 112 1HB ASN 18 2HB ASN 18 11.790 8.526 -9.539 113 2HB ASN 18 1HB ASN 18 11.778 9.978 -8.544 114 1HD2 ASN 18 1HD2 ASN 18 14.542 9.170 -7.538 115 2HD2 ASN 18 2HD2 ASN 18 15.589 9.657 -8.816 116 H GLN 19 H GLN 19 9.956 8.275 -6.792 117 HA GLN 19 HA GLN 19 10.330 10.379 -4.794 118 1HB GLN 19 2HB GLN 19 7.802 8.966 -5.664 119 2HB GLN 19 1HB GLN 19 7.889 10.395 -4.645 120 1HG GLN 19 2HG GLN 19 8.956 11.591 -6.563 121 2HG GLN 19 1HG GLN 19 8.607 10.174 -7.553 122 1HE2 GLN 19 1HE2 GLN 19 7.538 13.142 -6.890 123 2HE2 GLN 19 2HE2 GLN 19 5.846 12.931 -7.171 124 H PHE 20 H PHE 20 8.852 7.169 -4.970 125 HA PHE 20 HA PHE 20 8.416 6.802 -2.240 126 1HB PHE 20 2HB PHE 20 8.262 5.225 -4.629 127 2HB PHE 20 1HB PHE 20 8.878 4.264 -3.294 128 HD1 PHE 20 HD1 PHE 20 6.320 6.943 -3.677 129 HD2 PHE 20 HD2 PHE 20 7.251 3.053 -2.232 130 HE1 PHE 20 HE1 PHE 20 4.048 6.746 -2.761 131 HE2 PHE 20 HE2 PHE 20 4.978 2.846 -1.315 132 HZ PHE 20 HZ PHE 20 3.379 4.698 -1.578 133 H LYS 21 H LYS 21 11.325 6.572 -4.077 134 HA LYS 21 HA LYS 21 12.917 4.790 -2.806 135 1HB LYS 21 2HB LYS 21 14.819 6.254 -3.255 136 2HB LYS 21 1HB LYS 21 13.698 6.270 -4.611 137 1HG LYS 21 2HG LYS 21 12.818 8.400 -3.924 138 2HG LYS 21 1HG LYS 21 13.806 8.374 -2.461 139 1HD LYS 21 2HD LYS 21 15.832 8.433 -3.821 140 2HD LYS 21 1HD LYS 21 14.855 8.432 -5.290 141 1HE LYS 21 2HE LYS 21 15.653 10.684 -4.679 142 2HE LYS 21 1HE LYS 21 13.894 10.567 -4.705 143 1HZ LYS 21 1HZ LYS 21 14.059 11.532 -2.709 144 2HZ LYS 21 2HZ LYS 21 15.674 11.084 -2.490 145 3HZ LYS 21 3HZ LYS 21 14.440 9.981 -2.148 146 H THR 22 H THR 22 11.798 7.859 -1.551 147 HA THR 22 HA THR 22 13.373 8.336 0.621 148 HB THR 22 HB THR 22 10.348 8.404 0.726 149 HG1 THR 22 HG1 THR 22 10.675 9.678 -0.974 150 1HG2 THR 22 1HG2 THR 22 12.498 9.389 2.449 151 2HG2 THR 22 2HG2 THR 22 10.786 9.151 2.800 152 3HG2 THR 22 3HG2 THR 22 11.325 10.630 2.008 153 H ILE 23 H ILE 23 10.873 5.907 0.269 154 HA ILE 23 HA ILE 23 11.675 4.708 2.835 155 HB ILE 23 HB ILE 23 9.067 4.338 1.355 156 1HG1 ILE 23 2HG1 ILE 23 9.706 5.831 3.910 157 2HG1 ILE 23 1HG1 ILE 23 9.209 6.551 2.380 158 1HG2 ILE 23 1HG2 ILE 23 9.475 3.455 4.159 159 2HG2 ILE 23 2HG2 ILE 23 10.184 2.477 2.874 160 3HG2 ILE 23 3HG2 ILE 23 8.449 2.780 2.896 161 1HD1 ILE 23 1HD1 ILE 23 7.433 6.347 4.154 162 2HD1 ILE 23 2HD1 ILE 23 7.493 4.605 3.887 163 3HD1 ILE 23 3HD1 ILE 23 7.028 5.683 2.570 164 H GLN 24 H GLN 24 10.775 3.997 -0.532 165 HA GLN 24 HA GLN 24 11.865 1.287 -0.231 166 1HB GLN 24 2HB GLN 24 9.560 2.159 -1.424 167 2HB GLN 24 1HB GLN 24 10.646 2.003 -2.799 168 1HG GLN 24 2HG GLN 24 9.409 -0.040 -2.479 169 2HG GLN 24 1HG GLN 24 11.120 -0.314 -2.147 170 1HE2 GLN 24 1HE2 GLN 24 8.184 -1.144 -1.128 171 2HE2 GLN 24 2HE2 GLN 24 8.497 -1.394 0.552 172 HA PRO 25 HA PRO 25 15.337 3.538 -2.347 173 1HB PRO 25 2HB PRO 25 17.296 2.090 -1.135 174 2HB PRO 25 1HB PRO 25 16.577 3.542 -0.432 175 1HG PRO 25 2HG PRO 25 15.977 0.665 0.133 176 2HG PRO 25 1HG PRO 25 16.152 2.016 1.268 177 1HD PRO 25 2HD PRO 25 13.737 1.080 0.509 178 2HD PRO 25 1HD PRO 25 14.017 2.797 0.868 179 H ASP 26 H ASP 26 15.120 0.004 -1.773 180 HA ASP 26 HA ASP 26 15.878 -0.413 -4.571 181 1HB ASP 26 2HB ASP 26 17.814 -0.640 -2.823 182 2HB ASP 26 1HB ASP 26 17.044 -2.168 -2.426 183 H LEU 27 H LEU 27 15.904 -3.206 -4.525 184 HA LEU 27 HA LEU 27 13.144 -3.800 -4.600 185 1HB LEU 27 2HB LEU 27 15.320 -4.872 -5.770 186 2HB LEU 27 1HB LEU 27 15.049 -6.052 -4.499 187 HG LEU 27 HG LEU 27 12.663 -6.223 -5.314 188 1HD1 LEU 27 1HD1 LEU 27 12.159 -5.442 -7.537 189 2HD1 LEU 27 2HD1 LEU 27 13.786 -4.784 -7.712 190 3HD1 LEU 27 3HD1 LEU 27 12.672 -4.081 -6.539 191 1HD2 LEU 27 1HD2 LEU 27 14.167 -7.089 -7.643 192 2HD2 LEU 27 2HD2 LEU 27 13.315 -8.039 -6.427 193 3HD2 LEU 27 3HD2 LEU 27 14.969 -7.506 -6.128 194 H ASN 28 H ASN 28 15.445 -3.970 -2.079 195 HA ASN 28 HA ASN 28 13.861 -5.907 -0.563 196 1HB ASN 28 2HB ASN 28 16.324 -6.123 -0.570 197 2HB ASN 28 1HB ASN 28 16.457 -4.536 0.175 198 1HD2 ASN 28 1HD2 ASN 28 16.284 -4.375 2.335 199 2HD2 ASN 28 2HD2 ASN 28 15.913 -5.695 3.387 200 H GLY 29 H GLY 29 12.592 -3.556 -1.142 201 1HA GLY 29 2HA GLY 29 12.576 -2.085 1.408 202 2HA GLY 29 1HA GLY 29 11.996 -1.452 -0.126 203 H PHE 30 H PHE 30 10.730 -1.876 2.590 204 HA PHE 30 HA PHE 30 8.290 -3.133 1.550 205 1HB PHE 30 2HB PHE 30 9.378 -3.633 4.331 206 2HB PHE 30 1HB PHE 30 7.900 -4.300 3.645 207 HD1 PHE 30 HD1 PHE 30 11.075 -5.140 4.516 208 HD2 PHE 30 HD2 PHE 30 8.443 -5.409 1.187 209 HE1 PHE 30 HE1 PHE 30 12.363 -7.051 3.660 210 HE2 PHE 30 HE2 PHE 30 9.722 -7.324 0.323 211 HZ PHE 30 HZ PHE 30 11.686 -8.149 1.561 212 H ILE 31 H ILE 31 6.479 -2.008 2.008 213 HA ILE 31 HA ILE 31 6.729 0.214 3.923 214 HB ILE 31 HB ILE 31 5.540 0.180 1.168 215 1HG1 ILE 31 2HG1 ILE 31 7.161 2.365 2.413 216 2HG1 ILE 31 1HG1 ILE 31 7.969 0.892 1.875 217 1HG2 ILE 31 1HG2 ILE 31 4.711 1.798 3.513 218 2HG2 ILE 31 2HG2 ILE 31 3.765 1.222 2.141 219 3HG2 ILE 31 3HG2 ILE 31 4.834 2.611 1.952 220 1HD1 ILE 31 1HD1 ILE 31 7.114 1.245 -0.380 221 2HD1 ILE 31 2HD1 ILE 31 8.055 2.629 0.175 222 3HD1 ILE 31 3HD1 ILE 31 6.292 2.710 0.158 223 HA PRO 32 HA PRO 32 3.150 -1.734 5.721 224 1HB PRO 32 2HB PRO 32 2.767 0.074 7.697 225 2HB PRO 32 1HB PRO 32 4.061 -1.128 7.750 226 1HG PRO 32 2HG PRO 32 4.191 1.760 6.972 227 2HG PRO 32 1HG PRO 32 5.310 0.820 7.975 228 1HD PRO 32 2HD PRO 32 5.782 1.383 5.358 229 2HD PRO 32 1HD PRO 32 6.379 -0.088 6.153 230 H GLY 33 H GLY 33 0.922 -1.441 5.576 231 1HA GLY 33 2HA GLY 33 -0.158 0.186 3.668 232 2HA GLY 33 1HA GLY 33 -1.073 -0.370 5.064 233 H SER 34 H SER 34 0.660 1.040 6.951 234 HA SER 34 HA SER 34 -0.737 3.458 7.183 235 1HB SER 34 2HB SER 34 0.401 2.424 9.098 236 2HB SER 34 1HB SER 34 1.966 2.732 8.345 237 HG SER 34 HG SER 34 1.780 4.482 9.547 238 H ALA 35 H ALA 35 2.593 2.853 5.981 239 HA ALA 35 HA ALA 35 3.030 5.589 5.311 240 1HB ALA 35 1HB ALA 35 4.583 3.233 5.354 241 2HB ALA 35 2HB ALA 35 5.122 4.886 5.060 242 3HB ALA 35 3HB ALA 35 4.645 3.861 3.708 243 H ALA 36 H ALA 36 1.893 2.744 3.592 244 HA ALA 36 HA ALA 36 1.897 3.774 0.993 245 1HB ALA 36 1HB ALA 36 -0.176 1.873 2.049 246 2HB ALA 36 2HB ALA 36 1.488 1.385 1.728 247 3HB ALA 36 3HB ALA 36 0.474 1.984 0.414 248 H LYS 37 H LYS 37 -0.792 3.693 3.358 249 HA LYS 37 HA LYS 37 -2.638 5.085 1.788 250 1HB LYS 37 2HB LYS 37 -2.434 4.165 4.492 251 2HB LYS 37 1HB LYS 37 -3.036 5.814 4.496 252 1HG LYS 37 2HG LYS 37 -5.008 4.707 4.328 253 2HG LYS 37 1HG LYS 37 -4.623 4.844 2.610 254 1HD LYS 37 2HD LYS 37 -3.650 2.603 2.646 255 2HD LYS 37 1HD LYS 37 -4.019 2.464 4.366 256 1HE LYS 37 2HE LYS 37 -6.460 3.052 3.487 257 2HE LYS 37 1HE LYS 37 -5.818 2.328 2.011 258 1HZ LYS 37 1HZ LYS 37 -5.425 0.907 4.543 259 2HZ LYS 37 2HZ LYS 37 -5.625 0.287 2.982 260 3HZ LYS 37 3HZ LYS 37 -6.964 0.871 3.837 261 H GLU 38 H GLU 38 -0.529 6.317 4.389 262 HA GLU 38 HA GLU 38 -1.127 9.006 4.131 263 1HB GLU 38 2HB GLU 38 0.959 7.383 5.348 264 2HB GLU 38 1HB GLU 38 1.552 8.948 4.816 265 1HG GLU 38 2HG GLU 38 0.811 8.974 7.147 266 2HG GLU 38 1HG GLU 38 -0.119 10.078 6.138 267 H PHE 39 H PHE 39 1.436 7.147 2.490 268 HA PHE 39 HA PHE 39 2.584 9.294 1.099 269 1HB PHE 39 2HB PHE 39 3.026 6.572 1.324 270 2HB PHE 39 1HB PHE 39 2.589 6.775 -0.361 271 HD1 PHE 39 HD1 PHE 39 5.227 6.859 1.943 272 HD2 PHE 39 HD2 PHE 39 3.811 8.743 -1.599 273 HE1 PHE 39 HE1 PHE 39 7.509 7.634 1.449 274 HE2 PHE 39 HE2 PHE 39 6.090 9.519 -2.103 275 HZ PHE 39 HZ PHE 39 7.944 8.964 -0.578 276 H PHE 40 H PHE 40 0.276 6.840 -0.068 277 HA PHE 40 HA PHE 40 -0.147 7.937 -2.601 278 1HB PHE 40 2HB PHE 40 -1.792 6.141 -0.848 279 2HB PHE 40 1HB PHE 40 -2.400 6.681 -2.404 280 HD1 PHE 40 HD1 PHE 40 1.081 5.743 -1.494 281 HD2 PHE 40 HD2 PHE 40 -2.436 4.750 -3.674 282 HE1 PHE 40 HE1 PHE 40 2.291 3.913 -2.612 283 HE2 PHE 40 HE2 PHE 40 -1.235 2.921 -4.794 284 HZ PHE 40 HZ PHE 40 1.134 2.500 -4.265 285 H THR 41 H THR 41 -1.682 8.687 0.473 286 HA THR 41 HA THR 41 -3.969 9.970 -0.172 287 HB THR 41 HB THR 41 -1.881 10.946 1.777 288 HG1 THR 41 HG1 THR 41 -2.713 8.957 2.377 289 1HG2 THR 41 1HG2 THR 41 -4.444 11.774 2.579 290 2HG2 THR 41 2HG2 THR 41 -4.287 12.230 0.882 291 3HG2 THR 41 3HG2 THR 41 -3.098 12.789 2.059 292 H LYS 42 H LYS 42 -0.725 11.369 -0.553 293 HA LYS 42 HA LYS 42 -1.276 13.952 -1.176 294 1HB LYS 42 2HB LYS 42 0.762 12.021 -2.107 295 2HB LYS 42 1HB LYS 42 0.585 13.489 -3.063 296 1HG LYS 42 2HG LYS 42 1.040 14.860 -1.160 297 2HG LYS 42 1HG LYS 42 1.018 13.461 -0.086 298 1HD LYS 42 2HD LYS 42 3.006 12.574 -1.144 299 2HD LYS 42 1HD LYS 42 2.996 13.886 -2.327 300 1HE LYS 42 2HE LYS 42 3.471 14.077 0.642 301 2HE LYS 42 1HE LYS 42 4.609 14.438 -0.659 302 1HZ LYS 42 1HZ LYS 42 2.746 16.149 0.567 303 2HZ LYS 42 2HZ LYS 42 2.348 16.003 -1.069 304 3HZ LYS 42 3HZ LYS 42 3.896 16.516 -0.620 305 H SER 43 H SER 43 -1.701 11.181 -3.325 306 HA SER 43 HA SER 43 -2.419 12.681 -5.623 307 1HB SER 43 2HB SER 43 -3.012 9.819 -4.848 308 2HB SER 43 1HB SER 43 -3.389 10.505 -6.427 309 HG SER 43 HG SER 43 -1.426 9.772 -6.811 310 H LYS 44 H LYS 44 -3.931 13.002 -2.888 311 HA LYS 44 HA LYS 44 -6.075 13.314 -2.155 312 1HB LYS 44 2HB LYS 44 -5.518 14.880 -4.460 313 2HB LYS 44 1HB LYS 44 -7.206 14.389 -4.549 314 1HG LYS 44 2HG LYS 44 -7.771 15.495 -2.596 315 2HG LYS 44 1HG LYS 44 -6.108 15.511 -2.009 316 1HD LYS 44 2HD LYS 44 -6.841 17.742 -2.715 317 2HD LYS 44 1HD LYS 44 -5.503 17.152 -3.703 318 1HE LYS 44 2HE LYS 44 -7.097 16.491 -5.447 319 2HE LYS 44 1HE LYS 44 -8.422 17.110 -4.461 320 1HZ LYS 44 1HZ LYS 44 -7.612 18.653 -6.229 321 2HZ LYS 44 2HZ LYS 44 -6.157 18.792 -5.379 322 3HZ LYS 44 3HZ LYS 44 -7.602 19.311 -4.669 323 H LEU 45 H LEU 45 -5.611 10.724 -3.196 324 HA LEU 45 HA LEU 45 -7.979 9.958 -4.692 325 1HB LEU 45 2HB LEU 45 -5.557 8.484 -3.693 326 2HB LEU 45 1HB LEU 45 -6.951 7.622 -4.318 327 HG LEU 45 HG LEU 45 -5.347 9.654 -5.880 328 1HD1 LEU 45 1HD1 LEU 45 -4.226 7.901 -6.925 329 2HD1 LEU 45 2HD1 LEU 45 -5.381 6.695 -6.361 330 3HD1 LEU 45 3HD1 LEU 45 -4.238 7.418 -5.229 331 1HD2 LEU 45 1HD2 LEU 45 -6.594 8.764 -7.798 332 2HD2 LEU 45 2HD2 LEU 45 -7.665 9.499 -6.605 333 3HD2 LEU 45 3HD2 LEU 45 -7.532 7.743 -6.708 334 HA PRO 46 HA PRO 46 -10.351 9.090 -1.052 335 1HB PRO 46 2HB PRO 46 -12.241 7.484 -2.165 336 2HB PRO 46 1HB PRO 46 -12.213 9.238 -2.378 337 1HG PRO 46 2HG PRO 46 -11.244 7.089 -4.222 338 2HG PRO 46 1HG PRO 46 -12.158 8.560 -4.600 339 1HD PRO 46 2HD PRO 46 -9.484 8.366 -4.987 340 2HD PRO 46 1HD PRO 46 -10.279 9.894 -4.550 341 H ILE 47 H ILE 47 -9.780 7.767 0.531 342 HA ILE 47 HA ILE 47 -8.277 5.512 0.480 343 HB ILE 47 HB ILE 47 -10.585 5.957 2.379 344 1HG1 ILE 47 2HG1 ILE 47 -7.705 6.876 2.558 345 2HG1 ILE 47 1HG1 ILE 47 -9.097 7.911 2.253 346 1HG2 ILE 47 1HG2 ILE 47 -9.970 3.998 3.226 347 2HG2 ILE 47 2HG2 ILE 47 -8.465 4.771 3.723 348 3HG2 ILE 47 3HG2 ILE 47 -8.552 3.915 2.183 349 1HD1 ILE 47 1HD1 ILE 47 -9.140 8.245 4.446 350 2HD1 ILE 47 2HD1 ILE 47 -8.046 6.896 4.754 351 3HD1 ILE 47 3HD1 ILE 47 -9.777 6.605 4.576 352 H LEU 48 H LEU 48 -11.740 5.722 -0.063 353 HA LEU 48 HA LEU 48 -12.575 3.128 0.149 354 1HB LEU 48 2HB LEU 48 -14.070 4.950 -0.419 355 2HB LEU 48 1HB LEU 48 -13.276 5.166 -1.966 356 HG LEU 48 HG LEU 48 -14.853 2.711 -1.182 357 1HD1 LEU 48 1HD1 LEU 48 -16.694 3.568 -2.253 358 2HD1 LEU 48 2HD1 LEU 48 -15.742 4.692 -3.223 359 3HD1 LEU 48 3HD1 LEU 48 -16.031 5.027 -1.516 360 1HD2 LEU 48 1HD2 LEU 48 -14.758 2.742 -3.879 361 2HD2 LEU 48 2HD2 LEU 48 -13.617 1.859 -2.866 362 3HD2 LEU 48 3HD2 LEU 48 -13.188 3.449 -3.497 363 H GLU 49 H GLU 49 -10.968 4.623 -2.646 364 HA GLU 49 HA GLU 49 -10.841 2.104 -4.053 365 1HB GLU 49 2HB GLU 49 -9.591 4.784 -4.672 366 2HB GLU 49 1HB GLU 49 -9.575 3.387 -5.745 367 1HG GLU 49 2HG GLU 49 -12.074 3.437 -5.695 368 2HG GLU 49 1HG GLU 49 -11.959 4.969 -4.833 369 H LEU 50 H LEU 50 -8.594 4.246 -2.355 370 HA LEU 50 HA LEU 50 -6.195 3.017 -2.873 371 1HB LEU 50 2HB LEU 50 -7.281 4.419 -0.475 372 2HB LEU 50 1HB LEU 50 -5.726 3.627 -0.346 373 HG LEU 50 HG LEU 50 -5.079 4.996 -2.430 374 1HD1 LEU 50 1HD1 LEU 50 -7.392 6.670 -1.478 375 2HD1 LEU 50 2HD1 LEU 50 -7.397 5.687 -2.944 376 3HD1 LEU 50 3HD1 LEU 50 -6.275 7.039 -2.790 377 1HD2 LEU 50 1HD2 LEU 50 -5.285 5.818 0.390 378 2HD2 LEU 50 2HD2 LEU 50 -4.976 7.115 -0.765 379 3HD2 LEU 50 3HD2 LEU 50 -3.881 5.735 -0.674 380 H SER 51 H SER 51 -8.604 2.049 -0.442 381 HA SER 51 HA SER 51 -7.125 0.018 0.769 382 1HB SER 51 2HB SER 51 -10.117 0.099 0.334 383 2HB SER 51 1HB SER 51 -9.272 -0.896 1.521 384 HG SER 51 HG SER 51 -9.840 1.810 1.548 385 H HIS 52 H HIS 52 -9.557 -0.397 -1.855 386 HA HIS 52 HA HIS 52 -9.135 -3.127 -2.220 387 1HB HIS 52 2HB HIS 52 -10.970 -1.866 -3.318 388 2HB HIS 52 1HB HIS 52 -9.788 -1.115 -4.389 389 HD1 HIS 52 HD1 HIS 52 -10.711 -4.729 -3.481 390 HD2 HIS 52 HD2 HIS 52 -9.686 -2.367 -6.743 391 HE1 HIS 52 HE1 HIS 52 -10.724 -6.257 -5.495 392 H ILE 53 H ILE 53 -7.383 -0.351 -3.483 393 HA ILE 53 HA ILE 53 -5.725 -1.621 -5.327 394 HB ILE 53 HB ILE 53 -4.991 0.670 -3.493 395 1HG1 ILE 53 2HG1 ILE 53 -6.147 0.688 -6.291 396 2HG1 ILE 53 1HG1 ILE 53 -7.016 1.112 -4.820 397 1HG2 ILE 53 1HG2 ILE 53 -2.977 0.581 -4.414 398 2HG2 ILE 53 2HG2 ILE 53 -3.709 0.869 -5.993 399 3HG2 ILE 53 3HG2 ILE 53 -3.465 -0.781 -5.422 400 1HD1 ILE 53 1HD1 ILE 53 -6.376 3.205 -5.113 401 2HD1 ILE 53 2HD1 ILE 53 -5.362 2.744 -6.481 402 3HD1 ILE 53 3HD1 ILE 53 -4.710 2.697 -4.842 403 H TRP 54 H TRP 54 -5.461 -1.371 -1.796 404 HA TRP 54 HA TRP 54 -2.853 -2.498 -1.639 405 1HB TRP 54 2HB TRP 54 -3.788 -1.298 0.276 406 2HB TRP 54 1HB TRP 54 -5.067 -2.503 0.428 407 HD1 TRP 54 HD1 TRP 54 -4.259 -5.028 1.164 408 HE1 TRP 54 HE1 TRP 54 -2.281 -5.777 2.635 409 HE3 TRP 54 HE3 TRP 54 -1.479 -0.741 1.011 410 HZ2 TRP 54 HZ2 TRP 54 0.126 -4.677 3.621 411 HZ3 TRP 54 HZ3 TRP 54 0.644 -0.669 2.251 412 HH2 TRP 54 HH2 TRP 54 1.430 -2.595 3.527 413 H GLU 55 H GLU 55 -6.055 -3.978 -1.004 414 HA GLU 55 HA GLU 55 -5.229 -6.568 -0.584 415 1HB GLU 55 2HB GLU 55 -7.705 -5.385 -1.759 416 2HB GLU 55 1HB GLU 55 -7.485 -7.125 -1.853 417 1HG GLU 55 2HG GLU 55 -8.808 -6.548 0.081 418 2HG GLU 55 1HG GLU 55 -7.262 -7.226 0.580 419 H LEU 56 H LEU 56 -5.949 -5.027 -3.702 420 HA LEU 56 HA LEU 56 -5.387 -7.265 -5.320 421 1HB LEU 56 2HB LEU 56 -5.396 -4.300 -5.819 422 2HB LEU 56 1HB LEU 56 -4.948 -5.424 -7.087 423 HG LEU 56 HG LEU 56 -7.612 -5.324 -5.662 424 1HD1 LEU 56 1HD1 LEU 56 -6.563 -4.158 -8.159 425 2HD1 LEU 56 2HD1 LEU 56 -7.888 -3.628 -7.124 426 3HD1 LEU 56 3HD1 LEU 56 -8.140 -4.940 -8.274 427 1HD2 LEU 56 1HD2 LEU 56 -6.336 -7.472 -6.982 428 2HD2 LEU 56 2HD2 LEU 56 -7.609 -6.884 -8.051 429 3HD2 LEU 56 3HD2 LEU 56 -8.000 -7.380 -6.404 430 H SER 57 H SER 57 -3.350 -4.607 -4.197 431 HA SER 57 HA SER 57 -1.006 -5.568 -5.570 432 1HB SER 57 2HB SER 57 -1.334 -3.422 -3.466 433 2HB SER 57 1HB SER 57 0.114 -3.695 -4.424 434 HG SER 57 HG SER 57 -2.395 -2.711 -5.215 435 H ASP 58 H ASP 58 -2.450 -6.141 -2.516 436 HA ASP 58 HA ASP 58 0.047 -7.098 -1.329 437 1HB ASP 58 2HB ASP 58 -1.559 -5.529 -0.135 438 2HB ASP 58 1HB ASP 58 -2.628 -6.910 0.029 439 H PHE 59 H PHE 59 -0.693 -8.679 -3.381 440 HA PHE 59 HA PHE 59 -2.451 -10.748 -2.975 441 1HB PHE 59 2HB PHE 59 -0.155 -10.272 -4.657 442 2HB PHE 59 1HB PHE 59 -0.240 -11.965 -4.185 443 HD1 PHE 59 HD1 PHE 59 -1.758 -9.310 -6.149 444 HD2 PHE 59 HD2 PHE 59 -2.174 -13.319 -4.791 445 HE1 PHE 59 HE1 PHE 59 -3.470 -9.713 -7.871 446 HE2 PHE 59 HE2 PHE 59 -3.886 -13.732 -6.508 447 HZ PHE 59 HZ PHE 59 -4.535 -11.927 -8.053 448 H ASP 60 H ASP 60 0.235 -10.099 -1.034 449 HA ASP 60 HA ASP 60 0.537 -12.891 -0.250 450 1HB ASP 60 2HB ASP 60 2.383 -12.020 1.180 451 2HB ASP 60 1HB ASP 60 2.590 -11.680 -0.530 452 H LYS 61 H LYS 61 -0.479 -9.791 1.095 453 HA LYS 61 HA LYS 61 -1.900 -9.299 2.805 454 1HB LYS 61 2HB LYS 61 -2.481 -12.058 2.312 455 2HB LYS 61 1HB LYS 61 -2.459 -11.786 4.048 456 1HG LYS 61 2HG LYS 61 -4.693 -11.505 3.118 457 2HG LYS 61 1HG LYS 61 -4.084 -9.998 3.805 458 1HD LYS 61 2HD LYS 61 -5.237 -9.715 1.626 459 2HD LYS 61 1HD LYS 61 -3.569 -9.140 1.641 460 1HE LYS 61 2HE LYS 61 -2.832 -11.169 0.528 461 2HE LYS 61 1HE LYS 61 -4.477 -11.814 0.572 462 1HZ LYS 61 1HZ LYS 61 -5.201 -10.053 -0.868 463 2HZ LYS 61 2HZ LYS 61 -3.886 -10.834 -1.586 464 3HZ LYS 61 3HZ LYS 61 -3.672 -9.328 -0.846 465 H ASP 62 H ASP 62 0.780 -9.184 3.117 466 HA ASP 62 HA ASP 62 1.390 -10.340 5.739 467 1HB ASP 62 2HB ASP 62 3.696 -9.383 5.226 468 2HB ASP 62 1HB ASP 62 3.131 -10.649 4.129 469 H GLY 63 H GLY 63 -0.031 -7.595 4.550 470 1HA GLY 63 2HA GLY 63 -0.576 -5.599 5.610 471 2HA GLY 63 1HA GLY 63 0.290 -6.176 7.030 472 H ALA 64 H ALA 64 2.101 -6.405 4.227 473 HA ALA 64 HA ALA 64 3.323 -3.761 4.522 474 1HB ALA 64 1HB ALA 64 5.541 -4.621 4.681 475 2HB ALA 64 2HB ALA 64 4.980 -6.279 4.463 476 3HB ALA 64 3HB ALA 64 4.581 -5.399 5.939 477 H LEU 65 H LEU 65 4.024 -2.909 2.633 478 HA LEU 65 HA LEU 65 3.484 -4.451 0.226 479 1HB LEU 65 2HB LEU 65 3.091 -1.756 1.034 480 2HB LEU 65 1HB LEU 65 4.157 -1.758 -0.357 481 HG LEU 65 HG LEU 65 2.522 -2.962 -1.669 482 1HD1 LEU 65 1HD1 LEU 65 1.437 -3.583 0.917 483 2HD1 LEU 65 2HD1 LEU 65 1.090 -4.315 -0.650 484 3HD1 LEU 65 3HD1 LEU 65 0.196 -2.888 -0.125 485 1HD2 LEU 65 1HD2 LEU 65 0.942 -0.822 -0.306 486 2HD2 LEU 65 2HD2 LEU 65 1.049 -1.210 -2.023 487 3HD2 LEU 65 3HD2 LEU 65 2.397 -0.412 -1.214 488 H THR 66 H THR 66 5.071 -5.334 -0.869 489 HA THR 66 HA THR 66 7.828 -4.543 -0.395 490 HB THR 66 HB THR 66 8.500 -6.469 -1.574 491 HG1 THR 66 HG1 THR 66 6.286 -7.601 -2.446 492 1HG2 THR 66 1HG2 THR 66 7.848 -7.884 0.025 493 2HG2 THR 66 2HG2 THR 66 6.188 -7.881 -0.568 494 3HG2 THR 66 3HG2 THR 66 6.718 -6.644 0.572 495 H LEU 67 H LEU 67 9.297 -4.096 -2.161 496 HA LEU 67 HA LEU 67 8.635 -1.964 -3.679 497 1HB LEU 67 2HB LEU 67 10.914 -2.872 -3.414 498 2HB LEU 67 1HB LEU 67 10.520 -4.152 -4.548 499 HG LEU 67 HG LEU 67 11.846 -2.296 -5.541 500 1HD1 LEU 67 1HD1 LEU 67 9.272 -2.136 -6.970 501 2HD1 LEU 67 2HD1 LEU 67 9.885 -3.760 -6.663 502 3HD1 LEU 67 3HD1 LEU 67 10.871 -2.600 -7.554 503 1HD2 LEU 67 1HD2 LEU 67 10.588 -0.553 -4.140 504 2HD2 LEU 67 2HD2 LEU 67 9.347 -0.641 -5.391 505 3HD2 LEU 67 3HD2 LEU 67 10.986 -0.139 -5.808 506 H ASP 68 H ASP 68 8.196 -5.357 -4.681 507 HA ASP 68 HA ASP 68 7.304 -4.727 -7.299 508 1HB ASP 68 2HB ASP 68 7.757 -7.071 -5.785 509 2HB ASP 68 1HB ASP 68 6.093 -7.144 -6.343 510 H GLU 69 H GLU 69 5.587 -5.358 -4.250 511 HA GLU 69 HA GLU 69 2.982 -5.052 -5.241 512 1HB GLU 69 2HB GLU 69 4.120 -4.364 -2.516 513 2HB GLU 69 1HB GLU 69 2.402 -4.355 -2.888 514 1HG GLU 69 2HG GLU 69 2.504 -6.747 -3.404 515 2HG GLU 69 1HG GLU 69 4.226 -6.751 -3.022 516 H PHE 70 H PHE 70 5.471 -2.789 -4.334 517 HA PHE 70 HA PHE 70 3.942 -0.402 -4.400 518 1HB PHE 70 2HB PHE 70 6.054 -0.366 -3.287 519 2HB PHE 70 1HB PHE 70 6.887 -0.985 -4.706 520 HD1 PHE 70 HD1 PHE 70 4.360 1.595 -5.124 521 HD2 PHE 70 HD2 PHE 70 8.505 0.819 -4.553 522 HE1 PHE 70 HE1 PHE 70 4.882 3.892 -5.828 523 HE2 PHE 70 HE2 PHE 70 9.035 3.112 -5.260 524 HZ PHE 70 HZ PHE 70 7.226 4.655 -5.887 525 H CYS 71 H CYS 71 6.171 -1.813 -6.803 526 HA CYS 71 HA CYS 71 5.754 0.042 -8.834 527 1HB CYS 71 2HB CYS 71 6.657 -2.799 -8.759 528 2HB CYS 71 1HB CYS 71 6.247 -2.104 -10.318 529 HG CYS 71 HG CYS 71 8.087 0.069 -9.949 530 H ALA 72 H ALA 72 4.122 -3.076 -8.342 531 HA ALA 72 HA ALA 72 2.341 -2.884 -10.497 532 1HB ALA 72 1HB ALA 72 2.908 -4.778 -8.633 533 2HB ALA 72 2HB ALA 72 1.552 -4.856 -9.759 534 3HB ALA 72 3HB ALA 72 1.305 -4.255 -8.119 535 H ALA 73 H ALA 73 1.940 -1.910 -7.096 536 HA ALA 73 HA ALA 73 -0.737 -1.112 -7.274 537 1HB ALA 73 1HB ALA 73 -0.221 -1.118 -5.097 538 2HB ALA 73 2HB ALA 73 0.267 0.555 -5.371 539 3HB ALA 73 3HB ALA 73 1.473 -0.731 -5.394 540 H PHE 74 H PHE 74 2.203 0.947 -7.441 541 HA PHE 74 HA PHE 74 0.847 3.327 -7.995 542 1HB PHE 74 2HB PHE 74 3.444 2.739 -7.589 543 2HB PHE 74 1HB PHE 74 3.463 2.955 -9.339 544 HD1 PHE 74 HD1 PHE 74 2.723 4.593 -6.127 545 HD2 PHE 74 HD2 PHE 74 3.241 5.107 -10.317 546 HE1 PHE 74 HE1 PHE 74 2.766 7.033 -5.818 547 HE2 PHE 74 HE2 PHE 74 3.292 7.547 -10.018 548 HZ PHE 74 HZ PHE 74 3.053 8.515 -7.765 549 H HIS 75 H HIS 75 2.216 0.934 -10.250 550 HA HIS 75 HA HIS 75 1.597 2.218 -12.647 551 1HB HIS 75 2HB HIS 75 2.681 -0.193 -11.914 552 2HB HIS 75 1HB HIS 75 1.159 -0.686 -12.632 553 HD1 HIS 75 HD1 HIS 75 0.794 0.099 -15.201 554 HD2 HIS 75 HD2 HIS 75 4.632 0.495 -13.665 555 HE1 HIS 75 HE1 HIS 75 2.322 0.467 -17.182 556 H LEU 76 H LEU 76 -0.289 -0.240 -10.899 557 HA LEU 76 HA LEU 76 -2.554 -0.188 -12.510 558 1HB LEU 76 2HB LEU 76 -1.933 -1.760 -10.590 559 2HB LEU 76 1HB LEU 76 -2.620 -0.544 -9.526 560 HG LEU 76 HG LEU 76 -4.085 -1.986 -11.719 561 1HD1 LEU 76 1HD1 LEU 76 -5.359 -2.706 -9.496 562 2HD1 LEU 76 2HD1 LEU 76 -3.744 -2.474 -8.825 563 3HD1 LEU 76 3HD1 LEU 76 -3.994 -3.612 -10.149 564 1HD2 LEU 76 1HD2 LEU 76 -5.401 -0.167 -11.626 565 2HD2 LEU 76 2HD2 LEU 76 -4.730 0.361 -10.083 566 3HD2 LEU 76 3HD2 LEU 76 -5.981 -0.881 -10.121 567 H VAL 77 H VAL 77 -2.006 1.572 -9.449 568 HA VAL 77 HA VAL 77 -4.318 3.026 -9.288 569 HB VAL 77 HB VAL 77 -1.524 4.019 -8.700 570 1HG1 VAL 77 1HG1 VAL 77 -4.216 5.110 -7.889 571 2HG1 VAL 77 2HG1 VAL 77 -2.974 5.917 -8.848 572 3HG1 VAL 77 3HG1 VAL 77 -2.690 5.584 -7.140 573 1HG2 VAL 77 1HG2 VAL 77 -2.657 1.907 -7.558 574 2HG2 VAL 77 2HG2 VAL 77 -3.427 3.163 -6.587 575 3HG2 VAL 77 3HG2 VAL 77 -1.668 3.047 -6.644 576 H VAL 78 H VAL 78 -1.445 3.797 -11.201 577 HA VAL 78 HA VAL 78 -2.068 6.252 -12.228 578 HB VAL 78 HB VAL 78 -0.889 3.882 -13.680 579 1HG1 VAL 78 1HG1 VAL 78 -0.825 6.794 -14.464 580 2HG1 VAL 78 2HG1 VAL 78 -1.746 5.526 -15.273 581 3HG1 VAL 78 3HG1 VAL 78 0.016 5.476 -15.282 582 1HG2 VAL 78 1HG2 VAL 78 0.858 6.094 -12.940 583 2HG2 VAL 78 2HG2 VAL 78 1.058 4.359 -12.696 584 3HG2 VAL 78 3HG2 VAL 78 0.105 5.306 -11.554 585 H ALA 79 H ALA 79 -3.200 3.110 -13.443 586 HA ALA 79 HA ALA 79 -4.782 4.217 -15.537 587 1HB ALA 79 1HB ALA 79 -4.447 1.527 -14.318 588 2HB ALA 79 2HB ALA 79 -4.249 2.047 -15.991 589 3HB ALA 79 3HB ALA 79 -5.866 1.826 -15.323 590 H ARG 80 H ARG 80 -5.435 3.273 -12.215 591 HA ARG 80 HA ARG 80 -8.131 3.108 -12.043 592 1HB ARG 80 2HB ARG 80 -6.440 3.035 -10.166 593 2HB ARG 80 1HB ARG 80 -6.480 4.789 -10.151 594 1HG ARG 80 2HG ARG 80 -7.885 3.932 -8.401 595 2HG ARG 80 1HG ARG 80 -8.896 4.693 -9.641 596 1HD ARG 80 2HD ARG 80 -9.856 2.748 -10.231 597 2HD ARG 80 1HD ARG 80 -8.368 1.825 -10.031 598 HE ARG 80 HE ARG 80 -8.860 1.955 -7.580 599 1HH1 ARG 80 2HH1 ARG 80 -11.371 2.304 -9.900 600 2HH1 ARG 80 1HH1 ARG 80 -12.583 1.595 -8.898 601 1HH2 ARG 80 1HH2 ARG 80 -10.422 1.016 -6.255 602 2HH2 ARG 80 2HH2 ARG 80 -12.038 0.850 -6.839 603 H LYS 81 H LYS 81 -6.296 6.160 -12.181 604 HA LYS 81 HA LYS 81 -8.369 7.972 -11.879 605 1HB LYS 81 2HB LYS 81 -5.987 8.188 -13.721 606 2HB LYS 81 1HB LYS 81 -7.037 9.528 -13.285 607 1HG LYS 81 2HG LYS 81 -6.407 9.146 -10.902 608 2HG LYS 81 1HG LYS 81 -5.217 7.969 -11.473 609 1HD LYS 81 2HD LYS 81 -3.992 9.614 -12.632 610 2HD LYS 81 1HD LYS 81 -5.304 10.789 -12.514 611 1HE LYS 81 2HE LYS 81 -4.983 10.808 -10.052 612 2HE LYS 81 1HE LYS 81 -3.580 9.761 -10.265 613 1HZ LYS 81 1HZ LYS 81 -3.078 11.780 -11.983 614 2HZ LYS 81 2HZ LYS 81 -2.456 11.669 -10.416 615 3HZ LYS 81 3HZ LYS 81 -3.841 12.593 -10.710 616 H ASN 82 H ASN 82 -7.469 6.128 -14.726 617 HA ASN 82 HA ASN 82 -9.855 7.201 -16.081 618 1HB ASN 82 2HB ASN 82 -7.255 6.350 -17.374 619 2HB ASN 82 1HB ASN 82 -8.674 6.974 -18.210 620 1HD2 ASN 82 1HD2 ASN 82 -5.729 7.765 -16.924 621 2HD2 ASN 82 2HD2 ASN 82 -5.938 9.476 -16.811 622 H GLY 83 H GLY 83 -9.912 4.885 -14.425 623 1HA GLY 83 2HA GLY 83 -11.148 3.058 -16.184 624 2HA GLY 83 1HA GLY 83 -9.526 2.489 -15.847 625 H TYR 84 H TYR 84 -12.208 3.872 -13.911 626 HA TYR 84 HA TYR 84 -11.567 2.243 -11.659 627 1HB TYR 84 2HB TYR 84 -14.121 3.764 -12.212 628 2HB TYR 84 1HB TYR 84 -13.587 3.151 -10.649 629 HD1 TYR 84 HD1 TYR 84 -12.197 4.443 -9.272 630 HD2 TYR 84 HD2 TYR 84 -12.691 5.530 -13.351 631 HE1 TYR 84 HE1 TYR 84 -10.999 6.547 -8.850 632 HE2 TYR 84 HE2 TYR 84 -11.492 7.637 -12.944 633 HH TYR 84 HH TYR 84 -10.428 8.541 -9.692 634 H ASP 85 H ASP 85 -13.188 1.622 -14.528 635 HA ASP 85 HA ASP 85 -15.150 -0.257 -13.670 636 1HB ASP 85 2HB ASP 85 -14.256 0.914 -16.088 637 2HB ASP 85 1HB ASP 85 -14.247 -0.827 -16.314 638 H LEU 86 H LEU 86 -12.984 -0.972 -12.271 639 HA LEU 86 HA LEU 86 -11.394 -2.972 -13.549 640 1HB LEU 86 2HB LEU 86 -11.754 -2.334 -10.627 641 2HB LEU 86 1HB LEU 86 -10.569 -3.458 -11.265 642 HG LEU 86 HG LEU 86 -10.030 -1.198 -12.710 643 1HD1 LEU 86 1HD1 LEU 86 -11.692 -0.259 -10.757 644 2HD1 LEU 86 2HD1 LEU 86 -10.494 0.698 -11.628 645 3HD1 LEU 86 3HD1 LEU 86 -10.097 0.006 -10.054 646 1HD2 LEU 86 1HD2 LEU 86 -8.397 -1.033 -10.464 647 2HD2 LEU 86 2HD2 LEU 86 -8.079 -1.928 -11.950 648 3HD2 LEU 86 3HD2 LEU 86 -8.843 -2.735 -10.580 649 HA PRO 87 HA PRO 87 -14.032 -6.514 -13.412 650 1HB PRO 87 2HB PRO 87 -12.020 -8.393 -13.114 651 2HB PRO 87 1HB PRO 87 -12.560 -7.716 -14.653 652 1HG PRO 87 2HG PRO 87 -10.222 -6.954 -12.957 653 2HG PRO 87 1HG PRO 87 -10.339 -7.064 -14.723 654 1HD PRO 87 2HD PRO 87 -10.396 -4.697 -13.481 655 2HD PRO 87 1HD PRO 87 -11.413 -5.012 -14.904 656 H GLU 88 H GLU 88 -11.545 -6.077 -10.940 657 HA GLU 88 HA GLU 88 -11.703 -6.383 -8.660 658 1HB GLU 88 2HB GLU 88 -14.146 -5.947 -8.957 659 2HB GLU 88 1HB GLU 88 -14.383 -7.665 -9.227 660 1HG GLU 88 2HG GLU 88 -13.706 -8.172 -6.990 661 2HG GLU 88 1HG GLU 88 -13.250 -6.492 -6.703 662 H LYS 89 H LYS 89 -10.108 -8.005 -9.973 663 HA LYS 89 HA LYS 89 -10.531 -10.722 -10.118 664 1HB LYS 89 2HB LYS 89 -8.049 -9.156 -9.446 665 2HB LYS 89 1HB LYS 89 -8.029 -10.905 -9.614 666 1HG LYS 89 2HG LYS 89 -8.758 -10.723 -11.916 667 2HG LYS 89 1HG LYS 89 -8.878 -8.967 -11.757 668 1HD LYS 89 2HD LYS 89 -6.505 -8.781 -11.395 669 2HD LYS 89 1HD LYS 89 -6.335 -10.537 -11.352 670 1HE LYS 89 2HE LYS 89 -5.710 -9.286 -13.515 671 2HE LYS 89 1HE LYS 89 -6.679 -10.753 -13.641 672 1HZ LYS 89 1HZ LYS 89 -7.577 -7.943 -13.886 673 2HZ LYS 89 2HZ LYS 89 -8.663 -9.217 -13.641 674 3HZ LYS 89 3HZ LYS 89 -7.696 -9.187 -15.028 675 H LEU 90 H LEU 90 -9.761 -8.800 -7.297 676 HA LEU 90 HA LEU 90 -9.087 -10.887 -5.548 677 1HB LEU 90 2HB LEU 90 -8.627 -8.487 -5.168 678 2HB LEU 90 1HB LEU 90 -10.336 -8.227 -4.876 679 HG LEU 90 HG LEU 90 -10.044 -10.012 -3.011 680 1HD1 LEU 90 1HD1 LEU 90 -7.671 -9.707 -2.034 681 2HD1 LEU 90 2HD1 LEU 90 -7.224 -9.288 -3.688 682 3HD1 LEU 90 3HD1 LEU 90 -7.921 -10.870 -3.336 683 1HD2 LEU 90 1HD2 LEU 90 -8.941 -8.059 -1.581 684 2HD2 LEU 90 2HD2 LEU 90 -10.604 -7.982 -2.164 685 3HD2 LEU 90 3HD2 LEU 90 -9.325 -7.137 -3.035 686 HA PRO 91 HA PRO 91 -13.206 -12.430 -4.715 687 1HB PRO 91 2HB PRO 91 -12.472 -14.649 -3.442 688 2HB PRO 91 1HB PRO 91 -12.153 -14.464 -5.170 689 1HG PRO 91 2HG PRO 91 -10.283 -14.219 -2.862 690 2HG PRO 91 1HG PRO 91 -9.989 -14.870 -4.483 691 1HD PRO 91 2HD PRO 91 -9.342 -12.284 -3.578 692 2HD PRO 91 1HD PRO 91 -9.344 -12.839 -5.262 693 H GLU 92 H GLU 92 -14.569 -11.951 -3.011 694 HA GLU 92 HA GLU 92 -13.612 -10.625 -0.725 695 1HB GLU 92 2HB GLU 92 -16.305 -11.892 -1.227 696 2HB GLU 92 1HB GLU 92 -15.944 -10.789 0.095 697 1HG GLU 92 2HG GLU 92 -15.434 -9.024 -1.493 698 2HG GLU 92 1HG GLU 92 -15.736 -10.128 -2.834 699 H SER 93 H SER 93 -12.571 -13.403 -1.088 700 HA SER 93 HA SER 93 -13.478 -14.668 1.390 701 1HB SER 93 2HB SER 93 -13.451 -16.119 -0.571 702 2HB SER 93 1HB SER 93 -11.755 -15.739 -0.859 703 HG SER 93 HG SER 93 -12.625 -17.723 0.522 704 H LEU 94 H LEU 94 -10.986 -12.747 0.141 705 HA LEU 94 HA LEU 94 -9.346 -13.311 2.515 706 1HB LEU 94 2HB LEU 94 -8.442 -13.004 -0.331 707 2HB LEU 94 1HB LEU 94 -7.356 -12.696 1.013 708 HG LEU 94 HG LEU 94 -8.765 -15.313 0.478 709 1HD1 LEU 94 1HD1 LEU 94 -6.219 -14.183 -0.419 710 2HD1 LEU 94 2HD1 LEU 94 -7.146 -15.543 -1.053 711 3HD1 LEU 94 3HD1 LEU 94 -6.080 -15.772 0.334 712 1HD2 LEU 94 1HD2 LEU 94 -7.174 -16.130 2.237 713 2HD2 LEU 94 2HD2 LEU 94 -8.444 -15.056 2.824 714 3HD2 LEU 94 3HD2 LEU 94 -6.806 -14.443 2.595 715 H MET 95 H MET 95 -11.194 -11.293 2.556 716 HA MET 95 HA MET 95 -9.511 -8.900 2.352 717 1HB MET 95 2HB MET 95 -12.470 -9.227 1.902 718 2HB MET 95 1HB MET 95 -11.712 -7.666 2.157 719 1HG MET 95 2HG MET 95 -10.179 -8.305 0.210 720 2HG MET 95 1HG MET 95 -11.369 -9.563 -0.126 721 1HE MET 95 1HE MET 95 -14.608 -7.308 -0.589 722 2HE MET 95 2HE MET 95 -13.983 -7.906 0.948 723 3HE MET 95 3HE MET 95 -14.011 -8.963 -0.463 724 HA PRO 96 HA PRO 96 -9.923 -8.440 6.712 725 1HB PRO 96 2HB PRO 96 -9.919 -5.709 6.928 726 2HB PRO 96 1HB PRO 96 -8.472 -6.676 6.639 727 1HG PRO 96 2HG PRO 96 -10.174 -5.177 4.684 728 2HG PRO 96 1HG PRO 96 -8.405 -5.268 4.788 729 1HD PRO 96 2HD PRO 96 -9.789 -6.720 3.001 730 2HD PRO 96 1HD PRO 96 -8.330 -7.360 3.790 731 H LYS 97 HN LYS 97 -11.165 -6.231 8.019 732 HA LYS 97 HA LYS 97 -13.989 -6.543 7.256 733 1HB LYS 97 2HB LYS 97 -12.864 -6.619 10.062 734 2HB LYS 97 1HB LYS 97 -14.575 -6.618 9.656 735 1HG LYS 97 2HG LYS 97 -14.213 -8.753 8.426 736 2HG LYS 97 1HG LYS 97 -12.560 -8.766 9.049 737 1HD LYS 97 2HD LYS 97 -15.088 -8.768 10.697 738 2HD LYS 97 1HD LYS 97 -14.014 -10.145 10.435 739 1HE LYS 97 2HE LYS 97 -13.264 -7.559 11.794 740 2HE LYS 97 1HE LYS 97 -13.634 -9.077 12.613 741 1HZ LYS 97 1HZ LYS 97 -11.726 -9.833 10.885 742 2HZ LYS 97 2HZ LYS 97 -11.435 -9.385 12.491 743 3HZ LYS 97 3HZ LYS 97 -11.223 -8.257 11.248 Start of MODEL 16 1 1H TRP 6 1H TRP 6 -1.222 -3.702 -20.994 2 2H TRP 6 2H TRP 6 0.157 -2.752 -21.239 3 3H TRP 6 3H TRP 6 -1.262 -2.048 -20.643 4 HA TRP 6 HA TRP 6 -0.340 -2.283 -18.652 5 1HB TRP 6 2HB TRP 6 -1.255 -5.066 -19.354 6 2HB TRP 6 1HB TRP 6 -0.673 -4.665 -17.742 7 HD1 TRP 6 HD1 TRP 6 -3.651 -4.112 -20.073 8 HE1 TRP 6 HE1 TRP 6 -5.578 -3.063 -18.718 9 HE3 TRP 6 HE3 TRP 6 -1.149 -3.156 -15.719 10 HZ2 TRP 6 HZ2 TRP 6 -5.973 -1.963 -16.137 11 HZ3 TRP 6 HZ3 TRP 6 -2.364 -2.098 -13.863 12 HH2 TRP 6 HH2 TRP 6 -4.721 -1.511 -14.064 13 H LYS 7 H LYS 7 1.825 -1.717 -19.108 14 HA LYS 7 HA LYS 7 3.705 -3.730 -18.328 15 1HB LYS 7 2HB LYS 7 3.720 -2.698 -21.149 16 2HB LYS 7 1HB LYS 7 5.210 -3.206 -20.366 17 1HG LYS 7 2HG LYS 7 3.643 -5.335 -19.843 18 2HG LYS 7 1HG LYS 7 2.963 -4.806 -21.384 19 1HD LYS 7 2HD LYS 7 4.759 -6.456 -21.697 20 2HD LYS 7 1HD LYS 7 5.178 -4.895 -22.406 21 1HE LYS 7 2HE LYS 7 6.528 -4.349 -20.459 22 2HE LYS 7 1HE LYS 7 6.073 -5.871 -19.697 23 1HZ LYS 7 1HZ LYS 7 7.910 -5.387 -21.932 24 2HZ LYS 7 2HZ LYS 7 7.091 -6.866 -21.861 25 3HZ LYS 7 3HZ LYS 7 8.098 -6.394 -20.585 26 H ILE 8 H ILE 8 5.349 -2.839 -17.239 27 HA ILE 8 HA ILE 8 5.252 -0.043 -16.700 28 HB ILE 8 HB ILE 8 7.399 -1.969 -15.836 29 1HG1 ILE 8 2HG1 ILE 8 4.733 -1.369 -14.547 30 2HG1 ILE 8 1HG1 ILE 8 5.179 -2.884 -15.322 31 1HG2 ILE 8 1HG2 ILE 8 6.451 0.186 -14.071 32 2HG2 ILE 8 2HG2 ILE 8 7.300 0.717 -15.521 33 3HG2 ILE 8 3HG2 ILE 8 8.090 -0.382 -14.390 34 1HD1 ILE 8 1HD1 ILE 8 6.867 -1.875 -13.103 35 2HD1 ILE 8 2HD1 ILE 8 6.510 -3.532 -13.595 36 3HD1 ILE 8 3HD1 ILE 8 5.298 -2.588 -12.730 37 H THR 9 H THR 9 6.323 1.569 -17.631 38 HA THR 9 HA THR 9 8.460 0.969 -19.548 39 HB THR 9 HB THR 9 7.696 3.793 -19.083 40 HG1 THR 9 HG1 THR 9 5.893 2.745 -20.770 41 1HG2 THR 9 1HG2 THR 9 8.507 4.014 -21.158 42 2HG2 THR 9 2HG2 THR 9 7.485 2.716 -21.772 43 3HG2 THR 9 3HG2 THR 9 9.036 2.336 -21.024 44 H ASP 10 H ASP 10 10.575 1.457 -19.182 45 HA ASP 10 HA ASP 10 11.635 1.705 -16.693 46 1HB ASP 10 2HB ASP 10 12.642 1.653 -19.262 47 2HB ASP 10 1HB ASP 10 13.224 3.190 -18.630 48 H GLU 11 H GLU 11 10.852 4.447 -18.856 49 HA GLU 11 HA GLU 11 11.838 6.500 -17.316 50 1HB GLU 11 2HB GLU 11 9.388 6.344 -19.061 51 2HB GLU 11 1HB GLU 11 9.948 7.833 -18.337 52 1HG GLU 11 2HG GLU 11 10.778 7.825 -20.532 53 2HG GLU 11 1HG GLU 11 12.146 7.457 -19.487 54 H GLN 12 H GLN 12 8.635 4.996 -17.174 55 HA GLN 12 HA GLN 12 7.727 6.494 -14.939 56 1HB GLN 12 2HB GLN 12 6.765 4.307 -16.611 57 2HB GLN 12 1HB GLN 12 6.255 4.159 -14.942 58 1HG GLN 12 2HG GLN 12 4.617 5.580 -15.368 59 2HG GLN 12 1HG GLN 12 5.824 6.836 -15.593 60 1HE2 GLN 12 1HE2 GLN 12 5.802 4.242 -17.895 61 2HE2 GLN 12 2HE2 GLN 12 5.065 5.126 -19.169 62 H ARG 13 H ARG 13 9.216 3.327 -15.366 63 HA ARG 13 HA ARG 13 9.041 2.314 -12.791 64 1HB ARG 13 2HB ARG 13 9.845 1.016 -14.691 65 2HB ARG 13 1HB ARG 13 11.282 2.023 -14.800 66 1HG ARG 13 2HG ARG 13 10.753 0.617 -12.240 67 2HG ARG 13 1HG ARG 13 11.302 -0.330 -13.615 68 1HD ARG 13 2HD ARG 13 13.279 0.977 -13.830 69 2HD ARG 13 1HD ARG 13 12.697 2.145 -12.643 70 HE ARG 13 HE ARG 13 13.788 0.850 -11.137 71 1HH1 ARG 13 2HH1 ARG 13 12.395 -1.280 -13.487 72 2HH1 ARG 13 1HH1 ARG 13 12.967 -2.702 -12.697 73 1HH2 ARG 13 1HH2 ARG 13 14.588 -0.989 -10.166 74 2HH2 ARG 13 2HH2 ARG 13 14.204 -2.542 -10.816 75 H GLN 14 H GLN 14 11.723 4.223 -14.180 76 HA GLN 14 HA GLN 14 13.020 4.567 -11.659 77 1HB GLN 14 2HB GLN 14 14.336 6.289 -12.865 78 2HB GLN 14 1HB GLN 14 14.301 4.748 -13.707 79 1HG GLN 14 2HG GLN 14 12.656 5.593 -15.255 80 2HG GLN 14 1HG GLN 14 12.553 7.110 -14.362 81 1HE2 GLN 14 1HE2 GLN 14 13.616 8.698 -15.276 82 2HE2 GLN 14 2HE2 GLN 14 15.060 8.557 -16.215 83 H TYR 15 H TYR 15 10.768 6.410 -13.622 84 HA TYR 15 HA TYR 15 10.672 8.842 -12.376 85 1HB TYR 15 2HB TYR 15 9.368 8.380 -14.339 86 2HB TYR 15 1HB TYR 15 8.435 7.159 -13.486 87 HD1 TYR 15 HD1 TYR 15 6.252 7.949 -13.651 88 HD2 TYR 15 HD2 TYR 15 9.329 10.573 -12.330 89 HE1 TYR 15 HE1 TYR 15 4.559 9.634 -13.076 90 HE2 TYR 15 HE2 TYR 15 7.643 12.265 -11.748 91 HH TYR 15 HH TYR 15 5.258 12.819 -12.498 92 H TYR 16 H TYR 16 8.833 5.931 -11.405 93 HA TYR 16 HA TYR 16 7.640 7.224 -9.158 94 1HB TYR 16 2HB TYR 16 6.610 5.182 -8.687 95 2HB TYR 16 1HB TYR 16 6.849 5.099 -10.429 96 HD1 TYR 16 HD1 TYR 16 7.751 3.163 -11.305 97 HD2 TYR 16 HD2 TYR 16 8.611 4.183 -7.268 98 HE1 TYR 16 HE1 TYR 16 8.972 1.045 -11.033 99 HE2 TYR 16 HE2 TYR 16 9.838 2.075 -6.985 100 HH TYR 16 HH TYR 16 10.792 0.344 -8.106 101 H VAL 17 H VAL 17 10.373 4.992 -9.530 102 HA VAL 17 HA VAL 17 11.040 4.546 -6.895 103 HB VAL 17 HB VAL 17 13.019 5.072 -9.118 104 1HG1 VAL 17 1HG1 VAL 17 13.318 4.352 -6.343 105 2HG1 VAL 17 2HG1 VAL 17 14.551 4.758 -7.535 106 3HG1 VAL 17 3HG1 VAL 17 13.974 3.097 -7.393 107 1HG2 VAL 17 1HG2 VAL 17 12.800 2.890 -9.826 108 2HG2 VAL 17 2HG2 VAL 17 11.134 3.295 -9.415 109 3HG2 VAL 17 3HG2 VAL 17 12.113 2.350 -8.294 110 H ASN 18 H ASN 18 11.958 7.289 -8.928 111 HA ASN 18 HA ASN 18 13.715 8.671 -7.418 112 1HB ASN 18 2HB ASN 18 11.748 9.299 -9.425 113 2HB ASN 18 1HB ASN 18 11.862 10.607 -8.258 114 1HD2 ASN 18 1HD2 ASN 18 13.323 12.080 -8.681 115 2HD2 ASN 18 2HD2 ASN 18 14.743 11.858 -9.633 116 H GLN 19 H GLN 19 10.246 8.425 -6.813 117 HA GLN 19 HA GLN 19 10.470 10.236 -4.525 118 1HB GLN 19 2HB GLN 19 8.130 8.946 -5.898 119 2HB GLN 19 1HB GLN 19 7.969 9.902 -4.431 120 1HG GLN 19 2HG GLN 19 8.866 11.846 -5.585 121 2HG GLN 19 1HG GLN 19 9.080 10.888 -7.048 122 1HE2 GLN 19 1HE2 GLN 19 6.422 9.575 -5.955 123 2HE2 GLN 19 2HE2 GLN 19 5.224 10.611 -6.633 124 H PHE 20 H PHE 20 9.063 6.991 -5.106 125 HA PHE 20 HA PHE 20 8.605 6.454 -2.397 126 1HB PHE 20 2HB PHE 20 8.407 4.985 -4.870 127 2HB PHE 20 1HB PHE 20 8.933 3.961 -3.537 128 HD1 PHE 20 HD1 PHE 20 6.502 6.723 -4.093 129 HD2 PHE 20 HD2 PHE 20 7.267 2.910 -2.370 130 HE1 PHE 20 HE1 PHE 20 4.196 6.648 -3.243 131 HE2 PHE 20 HE2 PHE 20 4.961 2.828 -1.517 132 HZ PHE 20 HZ PHE 20 3.429 4.702 -1.955 133 H LYS 21 H LYS 21 11.511 6.260 -4.226 134 HA LYS 21 HA LYS 21 13.048 4.362 -3.056 135 1HB LYS 21 2HB LYS 21 14.969 5.940 -3.316 136 2HB LYS 21 1HB LYS 21 13.942 5.820 -4.742 137 1HG LYS 21 2HG LYS 21 12.903 7.911 -4.266 138 2HG LYS 21 1HG LYS 21 13.690 8.005 -2.689 139 1HD LYS 21 2HD LYS 21 15.115 8.011 -5.347 140 2HD LYS 21 1HD LYS 21 14.764 9.447 -4.380 141 1HE LYS 21 2HE LYS 21 16.106 8.541 -2.550 142 2HE LYS 21 1HE LYS 21 16.445 7.099 -3.507 143 1HZ LYS 21 1HZ LYS 21 18.301 8.422 -3.833 144 2HZ LYS 21 2HZ LYS 21 17.408 9.856 -3.919 145 3HZ LYS 21 3HZ LYS 21 17.370 8.758 -5.204 146 H THR 22 H THR 22 12.109 7.444 -1.601 147 HA THR 22 HA THR 22 13.773 7.486 0.621 148 HB THR 22 HB THR 22 10.916 8.441 0.391 149 HG1 THR 22 HG1 THR 22 12.363 10.499 0.423 150 1HG2 THR 22 1HG2 THR 22 12.739 8.383 2.676 151 2HG2 THR 22 2HG2 THR 22 10.999 8.667 2.623 152 3HG2 THR 22 3HG2 THR 22 12.118 9.993 2.310 153 H ILE 23 H ILE 23 11.472 5.171 -0.116 154 HA ILE 23 HA ILE 23 11.642 4.081 2.595 155 HB ILE 23 HB ILE 23 9.053 4.183 1.049 156 1HG1 ILE 23 2HG1 ILE 23 9.912 5.692 3.529 157 2HG1 ILE 23 1HG1 ILE 23 9.667 6.391 1.932 158 1HG2 ILE 23 1HG2 ILE 23 9.991 2.622 3.309 159 2HG2 ILE 23 2HG2 ILE 23 8.537 2.437 2.331 160 3HG2 ILE 23 3HG2 ILE 23 8.542 3.552 3.694 161 1HD1 ILE 23 1HD1 ILE 23 7.324 5.952 2.031 162 2HD1 ILE 23 2HD1 ILE 23 7.804 6.773 3.515 163 3HD1 ILE 23 3HD1 ILE 23 7.513 5.035 3.526 164 H GLN 24 H GLN 24 10.778 3.493 -0.810 165 HA GLN 24 HA GLN 24 11.580 0.696 -0.406 166 1HB GLN 24 2HB GLN 24 9.138 1.714 -1.303 167 2HB GLN 24 1HB GLN 24 9.947 1.121 -2.741 168 1HG GLN 24 2HG GLN 24 8.636 -0.660 -1.902 169 2HG GLN 24 1HG GLN 24 10.314 -1.043 -1.523 170 1HE2 GLN 24 1HE2 GLN 24 10.782 0.398 0.759 171 2HE2 GLN 24 2HE2 GLN 24 9.722 -0.134 2.014 172 HA PRO 25 HA PRO 25 14.502 2.781 -3.408 173 1HB PRO 25 2HB PRO 25 16.759 1.770 -2.275 174 2HB PRO 25 1HB PRO 25 16.012 3.289 -1.770 175 1HG PRO 25 2HG PRO 25 15.813 0.574 -0.529 176 2HG PRO 25 1HG PRO 25 16.006 2.153 0.255 177 1HD PRO 25 2HD PRO 25 13.622 0.882 0.115 178 2HD PRO 25 1HD PRO 25 13.762 2.653 0.088 179 H ASP 26 H ASP 26 14.738 -0.506 -2.042 180 HA ASP 26 HA ASP 26 15.087 -1.555 -4.750 181 1HB ASP 26 2HB ASP 26 17.291 -1.328 -3.522 182 2HB ASP 26 1HB ASP 26 16.684 -2.493 -2.356 183 H LEU 27 H LEU 27 15.092 -4.155 -4.381 184 HA LEU 27 HA LEU 27 12.458 -4.812 -3.629 185 1HB LEU 27 2HB LEU 27 14.805 -6.686 -3.941 186 2HB LEU 27 1HB LEU 27 13.111 -7.136 -3.956 187 HG LEU 27 HG LEU 27 14.522 -5.456 -6.026 188 1HD1 LEU 27 1HD1 LEU 27 13.863 -8.318 -5.780 189 2HD1 LEU 27 2HD1 LEU 27 15.141 -7.519 -6.694 190 3HD1 LEU 27 3HD1 LEU 27 13.500 -7.574 -7.337 191 1HD2 LEU 27 1HD2 LEU 27 12.352 -5.656 -7.243 192 2HD2 LEU 27 2HD2 LEU 27 12.286 -4.650 -5.795 193 3HD2 LEU 27 3HD2 LEU 27 11.642 -6.291 -5.758 194 H ASN 28 H ASN 28 15.095 -4.177 -1.690 195 HA ASN 28 HA ASN 28 14.266 -6.018 0.432 196 1HB ASN 28 2HB ASN 28 16.704 -5.703 -0.171 197 2HB ASN 28 1HB ASN 28 16.574 -4.069 0.464 198 1HD2 ASN 28 1HD2 ASN 28 14.564 -5.745 2.347 199 2HD2 ASN 28 2HD2 ASN 28 15.643 -6.218 3.603 200 H GLY 29 H GLY 29 12.451 -3.993 -0.264 201 1HA GLY 29 2HA GLY 29 12.363 -2.536 2.289 202 2HA GLY 29 1HA GLY 29 12.167 -1.635 0.795 203 H PHE 30 H PHE 30 10.368 -2.374 3.179 204 HA PHE 30 HA PHE 30 8.058 -3.197 1.542 205 1HB PHE 30 2HB PHE 30 8.472 -4.040 4.412 206 2HB PHE 30 1HB PHE 30 7.247 -4.616 3.289 207 HD1 PHE 30 HD1 PHE 30 10.157 -5.491 4.881 208 HD2 PHE 30 HD2 PHE 30 8.378 -5.592 1.017 209 HE1 PHE 30 HE1 PHE 30 11.640 -7.351 4.252 210 HE2 PHE 30 HE2 PHE 30 9.856 -7.452 0.382 211 HZ PHE 30 HZ PHE 30 11.486 -8.338 2.002 212 H ILE 31 H ILE 31 6.346 -1.916 1.720 213 HA ILE 31 HA ILE 31 6.377 0.156 3.802 214 HB ILE 31 HB ILE 31 5.228 0.098 1.029 215 1HG1 ILE 31 2HG1 ILE 31 6.862 2.249 2.338 216 2HG1 ILE 31 1HG1 ILE 31 7.633 0.828 1.637 217 1HG2 ILE 31 1HG2 ILE 31 3.431 1.094 2.042 218 2HG2 ILE 31 2HG2 ILE 31 4.456 2.501 1.759 219 3HG2 ILE 31 3HG2 ILE 31 4.399 1.758 3.358 220 1HD1 ILE 31 1HD1 ILE 31 7.726 2.139 -0.186 221 2HD1 ILE 31 2HD1 ILE 31 6.373 3.142 0.336 222 3HD1 ILE 31 3HD1 ILE 31 6.071 1.575 -0.417 223 HA PRO 32 HA PRO 32 2.786 -1.906 5.474 224 1HB PRO 32 2HB PRO 32 2.381 -0.165 7.504 225 2HB PRO 32 1HB PRO 32 3.649 -1.395 7.551 226 1HG PRO 32 2HG PRO 32 3.853 1.520 6.924 227 2HG PRO 32 1HG PRO 32 4.947 0.497 7.874 228 1HD PRO 32 2HD PRO 32 5.423 1.222 5.282 229 2HD PRO 32 1HD PRO 32 6.036 -0.277 6.006 230 H GLY 33 H GLY 33 0.522 -1.454 5.537 231 1HA GLY 33 2HA GLY 33 -0.518 0.177 3.594 232 2HA GLY 33 1HA GLY 33 -1.417 -0.284 5.032 233 H SER 34 H SER 34 0.328 1.080 6.872 234 HA SER 34 HA SER 34 -0.925 3.532 7.112 235 1HB SER 34 2HB SER 34 0.215 2.546 8.993 236 2HB SER 34 1HB SER 34 1.768 2.646 8.165 237 HG SER 34 HG SER 34 1.810 4.417 9.376 238 H ALA 35 H ALA 35 2.425 3.018 5.912 239 HA ALA 35 HA ALA 35 2.848 5.717 5.225 240 1HB ALA 35 1HB ALA 35 4.901 4.893 5.013 241 2HB ALA 35 2HB ALA 35 4.408 4.139 3.497 242 3HB ALA 35 3HB ALA 35 4.278 3.243 5.010 243 H ALA 36 H ALA 36 1.890 2.925 3.264 244 HA ALA 36 HA ALA 36 1.723 4.106 0.780 245 1HB ALA 36 1HB ALA 36 0.513 1.781 2.080 246 2HB ALA 36 2HB ALA 36 1.228 1.939 0.476 247 3HB ALA 36 3HB ALA 36 -0.441 2.438 0.753 248 H LYS 37 H LYS 37 -0.736 4.033 3.342 249 HA LYS 37 HA LYS 37 -2.778 5.340 1.968 250 1HB LYS 37 2HB LYS 37 -2.197 4.545 4.675 251 2HB LYS 37 1HB LYS 37 -2.934 6.136 4.656 252 1HG LYS 37 2HG LYS 37 -4.685 4.554 4.879 253 2HG LYS 37 1HG LYS 37 -4.756 5.175 3.230 254 1HD LYS 37 2HD LYS 37 -3.588 3.196 2.419 255 2HD LYS 37 1HD LYS 37 -3.470 2.577 4.067 256 1HE LYS 37 2HE LYS 37 -5.917 2.491 4.202 257 2HE LYS 37 1HE LYS 37 -6.027 3.100 2.553 258 1HZ LYS 37 1HZ LYS 37 -5.469 0.435 3.493 259 2HZ LYS 37 2HZ LYS 37 -4.409 0.957 2.282 260 3HZ LYS 37 3HZ LYS 37 -6.077 0.950 2.000 261 H GLU 38 H GLU 38 -0.333 6.729 4.189 262 HA GLU 38 HA GLU 38 -1.122 9.406 3.824 263 1HB GLU 38 2HB GLU 38 1.110 7.968 5.043 264 2HB GLU 38 1HB GLU 38 1.566 9.534 4.392 265 1HG GLU 38 2HG GLU 38 -0.283 10.552 5.691 266 2HG GLU 38 1HG GLU 38 -0.580 8.975 6.419 267 H PHE 39 H PHE 39 1.510 7.551 2.320 268 HA PHE 39 HA PHE 39 2.555 9.523 0.677 269 1HB PHE 39 2HB PHE 39 2.918 6.792 1.095 270 2HB PHE 39 1HB PHE 39 2.464 6.914 -0.595 271 HD1 PHE 39 HD1 PHE 39 5.053 7.421 1.841 272 HD2 PHE 39 HD2 PHE 39 3.829 8.348 -2.126 273 HE1 PHE 39 HE1 PHE 39 7.362 8.059 1.284 274 HE2 PHE 39 HE2 PHE 39 6.137 8.987 -2.692 275 HZ PHE 39 HZ PHE 39 7.906 8.841 -0.986 276 H PHE 40 H PHE 40 0.139 7.039 -0.135 277 HA PHE 40 HA PHE 40 -0.449 8.053 -2.700 278 1HB PHE 40 2HB PHE 40 -1.850 6.181 -0.822 279 2HB PHE 40 1HB PHE 40 -2.607 6.669 -2.331 280 HD1 PHE 40 HD1 PHE 40 -2.628 4.531 -3.355 281 HD2 PHE 40 HD2 PHE 40 1.023 6.185 -1.920 282 HE1 PHE 40 HE1 PHE 40 -1.371 2.800 -4.568 283 HE2 PHE 40 HE2 PHE 40 2.285 4.453 -3.133 284 HZ PHE 40 HZ PHE 40 1.088 2.760 -4.458 285 H THR 41 H THR 41 -2.165 8.422 0.402 286 HA THR 41 HA THR 41 -4.326 9.905 -0.443 287 HB THR 41 HB THR 41 -2.764 10.158 2.127 288 HG1 THR 41 HG1 THR 41 -3.877 8.207 1.903 289 1HG2 THR 41 1HG2 THR 41 -3.919 12.276 1.680 290 2HG2 THR 41 2HG2 THR 41 -4.666 11.411 3.023 291 3HG2 THR 41 3HG2 THR 41 -5.431 11.401 1.434 292 H LYS 42 H LYS 42 -1.039 11.058 0.253 293 HA LYS 42 HA LYS 42 -1.503 13.803 -0.026 294 1HB LYS 42 2HB LYS 42 0.944 12.185 -0.771 295 2HB LYS 42 1HB LYS 42 0.902 13.943 -0.720 296 1HG LYS 42 2HG LYS 42 0.358 12.140 1.625 297 2HG LYS 42 1HG LYS 42 1.891 12.950 1.295 298 1HD LYS 42 2HD LYS 42 0.842 15.112 1.511 299 2HD LYS 42 1HD LYS 42 -0.744 14.361 1.693 300 1HE LYS 42 2HE LYS 42 -0.145 13.418 3.793 301 2HE LYS 42 1HE LYS 42 1.547 13.863 3.582 302 1HZ LYS 42 1HZ LYS 42 0.865 15.545 4.921 303 2HZ LYS 42 2HZ LYS 42 -0.730 15.524 4.359 304 3HZ LYS 42 3HZ LYS 42 0.483 16.250 3.431 305 H SER 43 H SER 43 -1.160 11.269 -2.407 306 HA SER 43 HA SER 43 -0.786 12.864 -4.701 307 1HB SER 43 2HB SER 43 -0.427 10.435 -4.721 308 2HB SER 43 1HB SER 43 -2.151 10.173 -4.463 309 HG SER 43 HG SER 43 -0.934 10.414 -6.758 310 H LYS 44 H LYS 44 -3.784 11.522 -3.289 311 HA LYS 44 HA LYS 44 -5.492 13.546 -3.438 312 1HB LYS 44 2HB LYS 44 -5.167 14.289 -5.584 313 2HB LYS 44 1HB LYS 44 -4.863 12.676 -6.215 314 1HG LYS 44 2HG LYS 44 -7.252 12.164 -6.023 315 2HG LYS 44 1HG LYS 44 -7.543 13.801 -5.428 316 1HD LYS 44 2HD LYS 44 -6.774 14.740 -7.512 317 2HD LYS 44 1HD LYS 44 -6.317 13.140 -8.102 318 1HE LYS 44 2HE LYS 44 -9.098 14.131 -7.498 319 2HE LYS 44 1HE LYS 44 -8.423 13.774 -9.086 320 1HZ LYS 44 1HZ LYS 44 -9.891 12.048 -7.718 321 2HZ LYS 44 2HZ LYS 44 -8.365 11.607 -7.142 322 3HZ LYS 44 3HZ LYS 44 -8.688 11.565 -8.804 323 H LEU 45 H LEU 45 -5.376 10.383 -5.042 324 HA LEU 45 HA LEU 45 -7.980 9.614 -4.885 325 1HB LEU 45 2HB LEU 45 -5.579 7.866 -4.350 326 2HB LEU 45 1HB LEU 45 -7.189 7.274 -4.700 327 HG LEU 45 HG LEU 45 -6.832 8.774 -6.888 328 1HD1 LEU 45 1HD1 LEU 45 -4.545 9.459 -6.127 329 2HD1 LEU 45 2HD1 LEU 45 -4.600 8.697 -7.711 330 3HD1 LEU 45 3HD1 LEU 45 -4.052 7.781 -6.308 331 1HD2 LEU 45 1HD2 LEU 45 -7.302 6.707 -7.571 332 2HD2 LEU 45 2HD2 LEU 45 -6.480 5.978 -6.190 333 3HD2 LEU 45 3HD2 LEU 45 -5.558 6.444 -7.620 334 HA PRO 46 HA PRO 46 -8.922 9.654 -0.530 335 1HB PRO 46 2HB PRO 46 -11.303 8.342 -0.683 336 2HB PRO 46 1HB PRO 46 -11.104 10.047 -1.103 337 1HG PRO 46 2HG PRO 46 -11.185 7.651 -2.899 338 2HG PRO 46 1HG PRO 46 -11.980 9.225 -3.098 339 1HD PRO 46 2HD PRO 46 -9.711 8.605 -4.409 340 2HD PRO 46 1HD PRO 46 -10.035 10.253 -3.832 341 H ILE 47 H ILE 47 -8.416 8.333 1.098 342 HA ILE 47 HA ILE 47 -7.146 5.954 0.937 343 HB ILE 47 HB ILE 47 -9.062 6.666 3.166 344 1HG1 ILE 47 2HG1 ILE 47 -6.875 7.377 4.298 345 2HG1 ILE 47 1HG1 ILE 47 -6.165 7.355 2.688 346 1HG2 ILE 47 1HG2 ILE 47 -8.437 4.316 3.204 347 2HG2 ILE 47 2HG2 ILE 47 -7.688 5.181 4.545 348 3HG2 ILE 47 3HG2 ILE 47 -6.731 4.754 3.128 349 1HD1 ILE 47 1HD1 ILE 47 -7.941 9.300 3.942 350 2HD1 ILE 47 2HD1 ILE 47 -8.391 8.870 2.296 351 3HD1 ILE 47 3HD1 ILE 47 -6.779 9.499 2.631 352 H LEU 48 H LEU 48 -10.585 6.436 0.716 353 HA LEU 48 HA LEU 48 -11.659 4.009 1.325 354 1HB LEU 48 2HB LEU 48 -12.573 6.261 0.112 355 2HB LEU 48 1HB LEU 48 -12.637 5.126 -1.218 356 HG LEU 48 HG LEU 48 -14.782 5.176 -0.161 357 1HD1 LEU 48 1HD1 LEU 48 -15.143 2.935 -0.037 358 2HD1 LEU 48 2HD1 LEU 48 -13.726 2.649 0.974 359 3HD1 LEU 48 3HD1 LEU 48 -13.534 2.922 -0.758 360 1HD2 LEU 48 1HD2 LEU 48 -13.912 4.112 2.428 361 2HD2 LEU 48 2HD2 LEU 48 -15.157 5.301 2.045 362 3HD2 LEU 48 3HD2 LEU 48 -13.463 5.790 2.124 363 H GLU 49 H GLU 49 -11.215 4.708 -2.134 364 HA GLU 49 HA GLU 49 -11.097 2.015 -2.861 365 1HB GLU 49 2HB GLU 49 -10.054 4.445 -4.316 366 2HB GLU 49 1HB GLU 49 -10.241 2.847 -5.039 367 1HG GLU 49 2HG GLU 49 -12.655 2.937 -4.425 368 2HG GLU 49 1HG GLU 49 -12.410 4.607 -3.925 369 H LEU 50 H LEU 50 -8.597 4.214 -1.821 370 HA LEU 50 HA LEU 50 -6.299 2.909 -2.640 371 1HB LEU 50 2HB LEU 50 -6.990 4.495 -0.205 372 2HB LEU 50 1HB LEU 50 -5.451 3.663 -0.259 373 HG LEU 50 HG LEU 50 -4.843 4.899 -2.291 374 1HD1 LEU 50 1HD1 LEU 50 -7.510 5.307 -2.651 375 2HD1 LEU 50 2HD1 LEU 50 -6.233 6.191 -3.481 376 3HD1 LEU 50 3HD1 LEU 50 -6.989 6.875 -2.042 377 1HD2 LEU 50 1HD2 LEU 50 -5.716 7.032 -0.423 378 2HD2 LEU 50 2HD2 LEU 50 -4.143 6.756 -1.174 379 3HD2 LEU 50 3HD2 LEU 50 -4.650 5.773 0.199 380 H SER 51 H SER 51 -8.724 1.931 -0.406 381 HA SER 51 HA SER 51 -7.237 -0.053 1.002 382 1HB SER 51 2HB SER 51 -9.333 0.807 1.914 383 2HB SER 51 1HB SER 51 -10.216 0.193 0.517 384 HG SER 51 HG SER 51 -10.025 -1.098 2.646 385 H HIS 52 H HIS 52 -9.603 -0.305 -1.666 386 HA HIS 52 HA HIS 52 -9.442 -3.026 -2.142 387 1HB HIS 52 2HB HIS 52 -11.095 -1.740 -3.294 388 2HB HIS 52 1HB HIS 52 -9.871 -0.731 -4.054 389 HD1 HIS 52 HD1 HIS 52 -10.747 -4.464 -4.079 390 HD2 HIS 52 HD2 HIS 52 -9.423 -1.428 -6.584 391 HE1 HIS 52 HE1 HIS 52 -10.515 -5.492 -6.377 392 H ILE 53 H ILE 53 -7.398 -0.448 -3.428 393 HA ILE 53 HA ILE 53 -5.849 -1.951 -5.189 394 HB ILE 53 HB ILE 53 -4.970 0.433 -3.553 395 1HG1 ILE 53 2HG1 ILE 53 -6.978 0.931 -4.833 396 2HG1 ILE 53 1HG1 ILE 53 -5.596 1.727 -5.578 397 1HG2 ILE 53 1HG2 ILE 53 -3.806 0.190 -6.181 398 2HG2 ILE 53 2HG2 ILE 53 -3.453 -1.228 -5.194 399 3HG2 ILE 53 3HG2 ILE 53 -3.018 0.381 -4.615 400 1HD1 ILE 53 1HD1 ILE 53 -5.502 -0.307 -7.129 401 2HD1 ILE 53 2HD1 ILE 53 -6.799 0.864 -7.368 402 3HD1 ILE 53 3HD1 ILE 53 -7.127 -0.659 -6.539 403 H TRP 54 H TRP 54 -5.273 -1.350 -1.690 404 HA TRP 54 HA TRP 54 -2.757 -2.566 -1.576 405 1HB TRP 54 2HB TRP 54 -3.712 -1.300 0.323 406 2HB TRP 54 1HB TRP 54 -4.845 -2.622 0.606 407 HD1 TRP 54 HD1 TRP 54 -3.739 -5.013 1.390 408 HE1 TRP 54 HE1 TRP 54 -1.596 -5.489 2.743 409 HE3 TRP 54 HE3 TRP 54 -1.418 -0.488 0.848 410 HZ2 TRP 54 HZ2 TRP 54 0.736 -4.114 3.510 411 HZ3 TRP 54 HZ3 TRP 54 0.765 -0.150 1.926 412 HH2 TRP 54 HH2 TRP 54 1.818 -1.922 3.229 413 H GLU 55 H GLU 55 -5.914 -4.102 -0.814 414 HA GLU 55 HA GLU 55 -4.990 -6.644 -0.279 415 1HB GLU 55 2HB GLU 55 -7.524 -5.602 -1.445 416 2HB GLU 55 1HB GLU 55 -7.228 -7.329 -1.545 417 1HG GLU 55 2HG GLU 55 -7.167 -5.757 1.018 418 2HG GLU 55 1HG GLU 55 -8.580 -6.624 0.418 419 H LEU 56 H LEU 56 -6.045 -5.414 -3.439 420 HA LEU 56 HA LEU 56 -5.316 -7.630 -4.957 421 1HB LEU 56 2HB LEU 56 -5.559 -4.705 -5.579 422 2HB LEU 56 1HB LEU 56 -5.049 -5.836 -6.812 423 HG LEU 56 HG LEU 56 -7.460 -5.326 -6.929 424 1HD1 LEU 56 1HD1 LEU 56 -7.521 -7.336 -7.869 425 2HD1 LEU 56 2HD1 LEU 56 -7.954 -8.001 -6.294 426 3HD1 LEU 56 3HD1 LEU 56 -6.262 -7.938 -6.791 427 1HD2 LEU 56 1HD2 LEU 56 -8.936 -6.294 -5.175 428 2HD2 LEU 56 2HD2 LEU 56 -7.962 -4.933 -4.624 429 3HD2 LEU 56 3HD2 LEU 56 -7.499 -6.579 -4.190 430 H SER 57 H SER 57 -3.404 -4.949 -3.746 431 HA SER 57 HA SER 57 -1.031 -5.630 -5.226 432 1HB SER 57 2HB SER 57 -1.439 -3.771 -2.871 433 2HB SER 57 1HB SER 57 0.027 -3.882 -3.837 434 HG SER 57 HG SER 57 -2.534 -3.013 -4.662 435 H ASP 58 H ASP 58 -2.419 -6.517 -2.165 436 HA ASP 58 HA ASP 58 0.121 -7.562 -1.156 437 1HB ASP 58 2HB ASP 58 -1.766 -6.271 0.171 438 2HB ASP 58 1HB ASP 58 -2.483 -7.871 0.296 439 H PHE 59 H PHE 59 -0.604 -8.957 -3.392 440 HA PHE 59 HA PHE 59 -2.279 -11.111 -3.257 441 1HB PHE 59 2HB PHE 59 0.436 -10.813 -4.486 442 2HB PHE 59 1HB PHE 59 -0.389 -12.367 -4.546 443 HD1 PHE 59 HD1 PHE 59 -0.124 -9.083 -5.975 444 HD2 PHE 59 HD2 PHE 59 -2.640 -12.497 -5.630 445 HE1 PHE 59 HE1 PHE 59 -1.392 -8.346 -7.952 446 HE2 PHE 59 HE2 PHE 59 -3.911 -11.768 -7.606 447 HZ PHE 59 HZ PHE 59 -3.285 -9.691 -8.771 448 H ASP 60 H ASP 60 0.340 -10.535 -1.166 449 HA ASP 60 HA ASP 60 0.583 -13.354 -0.387 450 1HB ASP 60 2HB ASP 60 2.402 -12.453 1.094 451 2HB ASP 60 1HB ASP 60 2.664 -12.157 -0.628 452 H LYS 61 H LYS 61 -0.523 -10.232 0.803 453 HA LYS 61 HA LYS 61 -1.975 -9.689 2.474 454 1HB LYS 61 2HB LYS 61 -2.220 -12.682 2.730 455 2HB LYS 61 1HB LYS 61 -3.183 -11.537 3.650 456 1HG LYS 61 2HG LYS 61 -3.129 -11.714 0.642 457 2HG LYS 61 1HG LYS 61 -4.363 -12.430 1.682 458 1HD LYS 61 2HD LYS 61 -3.770 -9.539 2.013 459 2HD LYS 61 1HD LYS 61 -4.674 -10.038 0.583 460 1HE LYS 61 2HE LYS 61 -6.070 -9.400 2.562 461 2HE LYS 61 1HE LYS 61 -6.397 -10.998 1.902 462 1HZ LYS 61 1HZ LYS 61 -4.501 -11.441 3.803 463 2HZ LYS 61 2HZ LYS 61 -6.157 -11.711 3.979 464 3HZ LYS 61 3HZ LYS 61 -5.477 -10.254 4.505 465 H ASP 62 H ASP 62 0.683 -9.525 2.978 466 HA ASP 62 HA ASP 62 1.145 -10.700 5.631 467 1HB ASP 62 2HB ASP 62 3.438 -10.153 5.322 468 2HB ASP 62 1HB ASP 62 2.890 -10.711 3.735 469 H GLY 63 H GLY 63 -0.151 -7.953 4.267 470 1HA GLY 63 2HA GLY 63 -0.957 -6.050 5.342 471 2HA GLY 63 1HA GLY 63 -0.061 -6.510 6.788 472 H ALA 64 H ALA 64 1.760 -6.647 3.962 473 HA ALA 64 HA ALA 64 2.730 -3.895 4.220 474 1HB ALA 64 1HB ALA 64 4.777 -6.048 4.033 475 2HB ALA 64 2HB ALA 64 4.058 -5.696 5.604 476 3HB ALA 64 3HB ALA 64 4.900 -4.426 4.715 477 H LEU 65 H LEU 65 3.577 -3.040 2.377 478 HA LEU 65 HA LEU 65 3.161 -4.599 -0.057 479 1HB LEU 65 2HB LEU 65 2.832 -1.837 0.715 480 2HB LEU 65 1HB LEU 65 3.819 -1.969 -0.724 481 HG LEU 65 HG LEU 65 2.072 -3.108 -1.910 482 1HD1 LEU 65 1HD1 LEU 65 0.698 -4.437 -0.771 483 2HD1 LEU 65 2HD1 LEU 65 -0.182 -2.985 -0.299 484 3HD1 LEU 65 3HD1 LEU 65 1.078 -3.631 0.751 485 1HD2 LEU 65 1HD2 LEU 65 0.147 -1.315 -1.313 486 2HD2 LEU 65 2HD2 LEU 65 1.565 -0.945 -2.296 487 3HD2 LEU 65 3HD2 LEU 65 1.550 -0.537 -0.580 488 H THR 66 H THR 66 4.873 -5.506 -0.960 489 HA THR 66 HA THR 66 7.555 -4.644 -0.264 490 HB THR 66 HB THR 66 8.343 -6.576 -1.399 491 HG1 THR 66 HG1 THR 66 6.310 -7.774 -2.474 492 1HG2 THR 66 1HG2 THR 66 7.563 -7.990 0.148 493 2HG2 THR 66 2HG2 THR 66 5.954 -7.980 -0.574 494 3HG2 THR 66 3HG2 THR 66 6.401 -6.742 0.601 495 H LEU 67 H LEU 67 9.165 -4.104 -1.926 496 HA LEU 67 HA LEU 67 8.497 -2.059 -3.590 497 1HB LEU 67 2HB LEU 67 10.818 -3.006 -3.084 498 2HB LEU 67 1HB LEU 67 10.539 -4.130 -4.397 499 HG LEU 67 HG LEU 67 11.888 -2.280 -5.172 500 1HD1 LEU 67 1HD1 LEU 67 9.984 -3.302 -6.579 501 2HD1 LEU 67 2HD1 LEU 67 10.746 -1.812 -7.134 502 3HD1 LEU 67 3HD1 LEU 67 9.179 -1.754 -6.327 503 1HD2 LEU 67 1HD2 LEU 67 10.849 0.014 -5.241 504 2HD2 LEU 67 2HD2 LEU 67 11.338 -0.556 -3.645 505 3HD2 LEU 67 3HD2 LEU 67 9.637 -0.591 -4.110 506 H ASP 68 H ASP 68 8.286 -5.515 -4.274 507 HA ASP 68 HA ASP 68 7.572 -5.367 -6.986 508 1HB ASP 68 2HB ASP 68 7.848 -7.367 -4.995 509 2HB ASP 68 1HB ASP 68 6.247 -7.550 -5.693 510 H GLU 69 H GLU 69 5.582 -5.587 -4.048 511 HA GLU 69 HA GLU 69 3.076 -5.424 -5.307 512 1HB GLU 69 2HB GLU 69 3.727 -4.295 -2.574 513 2HB GLU 69 1HB GLU 69 2.173 -4.899 -3.134 514 1HG GLU 69 2HG GLU 69 3.149 -7.165 -3.282 515 2HG GLU 69 1HG GLU 69 4.656 -6.525 -2.625 516 H PHE 70 H PHE 70 5.340 -3.003 -4.189 517 HA PHE 70 HA PHE 70 3.796 -0.690 -4.484 518 1HB PHE 70 2HB PHE 70 5.845 -0.587 -3.273 519 2HB PHE 70 1HB PHE 70 6.756 -1.219 -4.637 520 HD1 PHE 70 HD1 PHE 70 4.188 1.411 -4.885 521 HD2 PHE 70 HD2 PHE 70 8.339 0.494 -4.799 522 HE1 PHE 70 HE1 PHE 70 4.709 3.704 -5.627 523 HE2 PHE 70 HE2 PHE 70 8.867 2.773 -5.539 524 HZ PHE 70 HZ PHE 70 7.059 4.385 -5.942 525 H CYS 71 H CYS 71 6.193 -2.048 -6.740 526 HA CYS 71 HA CYS 71 5.934 -0.246 -8.811 527 1HB CYS 71 2HB CYS 71 7.074 -2.810 -8.430 528 2HB CYS 71 1HB CYS 71 6.163 -2.872 -9.930 529 HG CYS 71 HG CYS 71 8.774 -0.798 -9.170 530 H ALA 72 H ALA 72 4.043 -3.187 -8.265 531 HA ALA 72 HA ALA 72 2.353 -2.851 -10.536 532 1HB ALA 72 1HB ALA 72 2.497 -4.660 -8.219 533 2HB ALA 72 2HB ALA 72 2.217 -5.016 -9.924 534 3HB ALA 72 3HB ALA 72 0.892 -4.438 -8.910 535 H ALA 73 H ALA 73 1.983 -2.095 -7.088 536 HA ALA 73 HA ALA 73 -0.667 -1.213 -7.149 537 1HB ALA 73 1HB ALA 73 1.366 0.076 -5.371 538 2HB ALA 73 2HB ALA 73 0.933 -1.619 -5.148 539 3HB ALA 73 3HB ALA 73 -0.305 -0.368 -5.020 540 H PHE 74 H PHE 74 2.320 0.735 -7.330 541 HA PHE 74 HA PHE 74 1.119 3.210 -7.735 542 1HB PHE 74 2HB PHE 74 3.542 2.854 -7.295 543 2HB PHE 74 1HB PHE 74 3.726 2.265 -8.944 544 HD1 PHE 74 HD1 PHE 74 2.207 5.210 -7.232 545 HD2 PHE 74 HD2 PHE 74 4.601 3.759 -10.434 546 HE1 PHE 74 HE1 PHE 74 2.549 7.518 -8.014 547 HE2 PHE 74 HE2 PHE 74 4.950 6.063 -11.224 548 HZ PHE 74 HZ PHE 74 3.924 7.945 -10.012 549 H HIS 75 H HIS 75 2.303 0.919 -10.212 550 HA HIS 75 HA HIS 75 1.510 2.380 -12.448 551 1HB HIS 75 2HB HIS 75 2.624 -0.131 -11.885 552 2HB HIS 75 1HB HIS 75 1.195 -0.450 -12.848 553 HD1 HIS 75 HD1 HIS 75 1.134 1.220 -15.148 554 HD2 HIS 75 HD2 HIS 75 4.787 0.363 -13.359 555 HE1 HIS 75 HE1 HIS 75 2.913 1.697 -16.886 556 H LEU 76 H LEU 76 -0.224 -0.272 -10.795 557 HA LEU 76 HA LEU 76 -2.537 -0.280 -12.306 558 1HB LEU 76 2HB LEU 76 -1.822 -1.783 -10.342 559 2HB LEU 76 1HB LEU 76 -2.559 -0.568 -9.314 560 HG LEU 76 HG LEU 76 -3.952 -2.165 -11.447 561 1HD1 LEU 76 1HD1 LEU 76 -4.253 -3.701 -9.876 562 2HD1 LEU 76 2HD1 LEU 76 -5.092 -2.505 -8.888 563 3HD1 LEU 76 3HD1 LEU 76 -3.351 -2.722 -8.720 564 1HD2 LEU 76 1HD2 LEU 76 -5.989 -1.113 -10.223 565 2HD2 LEU 76 2HD2 LEU 76 -5.128 -0.176 -11.445 566 3HD2 LEU 76 3HD2 LEU 76 -4.826 0.119 -9.732 567 H VAL 77 H VAL 77 -1.952 1.554 -9.291 568 HA VAL 77 HA VAL 77 -4.305 2.952 -9.133 569 HB VAL 77 HB VAL 77 -1.531 3.974 -8.521 570 1HG1 VAL 77 1HG1 VAL 77 -4.117 5.289 -8.413 571 2HG1 VAL 77 2HG1 VAL 77 -2.497 5.963 -8.229 572 3HG1 VAL 77 3HG1 VAL 77 -3.318 5.251 -6.840 573 1HG2 VAL 77 1HG2 VAL 77 -3.630 2.806 -6.697 574 2HG2 VAL 77 2HG2 VAL 77 -1.998 3.304 -6.251 575 3HG2 VAL 77 3HG2 VAL 77 -2.236 1.925 -7.323 576 H VAL 78 H VAL 78 -1.447 3.820 -11.053 577 HA VAL 78 HA VAL 78 -2.120 6.269 -12.040 578 HB VAL 78 HB VAL 78 -0.989 3.951 -13.613 579 1HG1 VAL 78 1HG1 VAL 78 -0.052 5.651 -15.108 580 2HG1 VAL 78 2HG1 VAL 78 -0.914 6.906 -14.216 581 3HG1 VAL 78 3HG1 VAL 78 -1.814 5.680 -15.110 582 1HG2 VAL 78 1HG2 VAL 78 1.103 5.564 -13.102 583 2HG2 VAL 78 2HG2 VAL 78 0.633 4.216 -12.067 584 3HG2 VAL 78 3HG2 VAL 78 0.130 5.856 -11.662 585 H ALA 79 H ALA 79 -3.296 3.142 -13.247 586 HA ALA 79 HA ALA 79 -4.840 4.059 -15.382 587 1HB ALA 79 1HB ALA 79 -5.978 1.954 -15.294 588 2HB ALA 79 2HB ALA 79 -5.507 1.713 -13.612 589 3HB ALA 79 3HB ALA 79 -4.285 1.683 -14.883 590 H ARG 80 H ARG 80 -5.562 3.891 -11.951 591 HA ARG 80 HA ARG 80 -8.309 4.304 -11.996 592 1HB ARG 80 2HB ARG 80 -6.476 4.005 -10.045 593 2HB ARG 80 1HB ARG 80 -6.769 5.733 -9.906 594 1HG ARG 80 2HG ARG 80 -8.739 3.489 -9.603 595 2HG ARG 80 1HG ARG 80 -8.254 4.686 -8.400 596 1HD ARG 80 2HD ARG 80 -9.298 6.445 -9.754 597 2HD ARG 80 1HD ARG 80 -9.799 5.232 -10.933 598 HE ARG 80 HE ARG 80 -10.743 4.598 -8.319 599 1HH1 ARG 80 2HH1 ARG 80 -11.300 6.640 -11.046 600 2HH1 ARG 80 1HH1 ARG 80 -12.977 6.858 -10.693 601 1HH2 ARG 80 1HH2 ARG 80 -12.886 4.901 -7.830 602 2HH2 ARG 80 2HH2 ARG 80 -13.873 5.859 -8.872 603 H LYS 81 H LYS 81 -5.850 6.359 -13.082 604 HA LYS 81 HA LYS 81 -6.458 8.921 -12.527 605 1HB LYS 81 2HB LYS 81 -4.726 8.298 -14.117 606 2HB LYS 81 1HB LYS 81 -5.940 7.772 -15.273 607 1HG LYS 81 2HG LYS 81 -5.178 9.876 -16.010 608 2HG LYS 81 1HG LYS 81 -6.775 10.146 -15.310 609 1HD LYS 81 2HD LYS 81 -5.771 10.974 -13.265 610 2HD LYS 81 1HD LYS 81 -4.157 10.614 -13.883 611 1HE LYS 81 2HE LYS 81 -4.663 12.192 -15.785 612 2HE LYS 81 1HE LYS 81 -6.110 12.670 -14.900 613 1HZ LYS 81 1HZ LYS 81 -4.918 13.952 -13.551 614 2HZ LYS 81 2HZ LYS 81 -3.628 13.757 -14.627 615 3HZ LYS 81 3HZ LYS 81 -3.760 12.751 -13.276 616 H ASN 82 H ASN 82 -8.142 6.981 -14.957 617 HA ASN 82 HA ASN 82 -10.350 8.937 -14.915 618 1HB ASN 82 2HB ASN 82 -10.923 8.119 -17.153 619 2HB ASN 82 1HB ASN 82 -9.242 8.653 -17.107 620 1HD2 ASN 82 1HD2 ASN 82 -11.100 6.391 -18.375 621 2HD2 ASN 82 2HD2 ASN 82 -10.003 5.061 -18.425 622 H GLY 83 H GLY 83 -9.592 5.474 -15.084 623 1HA GLY 83 2HA GLY 83 -11.607 4.713 -13.258 624 2HA GLY 83 1HA GLY 83 -12.200 4.480 -14.895 625 H TYR 84 H TYR 84 -12.038 2.428 -15.479 626 HA TYR 84 HA TYR 84 -11.315 0.288 -15.681 627 1HB TYR 84 2HB TYR 84 -9.015 2.039 -16.146 628 2HB TYR 84 1HB TYR 84 -8.594 0.363 -15.799 629 HD1 TYR 84 HD1 TYR 84 -8.276 -0.944 -17.660 630 HD2 TYR 84 HD2 TYR 84 -11.170 2.171 -17.839 631 HE1 TYR 84 HE1 TYR 84 -8.773 -1.548 -19.990 632 HE2 TYR 84 HE2 TYR 84 -11.676 1.574 -20.169 633 HH TYR 84 HH TYR 84 -11.418 -0.720 -21.578 634 H ASP 85 H ASP 85 -11.843 0.903 -13.008 635 HA ASP 85 HA ASP 85 -9.746 0.231 -11.240 636 1HB ASP 85 2HB ASP 85 -12.428 1.012 -11.020 637 2HB ASP 85 1HB ASP 85 -12.349 -0.564 -10.243 638 H LEU 86 H LEU 86 -11.351 -1.897 -9.769 639 HA LEU 86 HA LEU 86 -11.098 -4.147 -11.605 640 1HB LEU 86 2HB LEU 86 -9.447 -3.861 -9.112 641 2HB LEU 86 1HB LEU 86 -9.737 -5.410 -9.881 642 HG LEU 86 HG LEU 86 -8.798 -4.218 -12.009 643 1HD1 LEU 86 1HD1 LEU 86 -7.057 -2.704 -10.188 644 2HD1 LEU 86 2HD1 LEU 86 -8.685 -2.062 -10.398 645 3HD1 LEU 86 3HD1 LEU 86 -7.645 -2.301 -11.803 646 1HD2 LEU 86 1HD2 LEU 86 -7.568 -6.022 -11.325 647 2HD2 LEU 86 2HD2 LEU 86 -7.346 -5.392 -9.692 648 3HD2 LEU 86 3HD2 LEU 86 -6.414 -4.722 -11.030 649 HA PRO 87 HA PRO 87 -14.629 -5.664 -9.438 650 1HB PRO 87 2HB PRO 87 -14.622 -8.202 -10.339 651 2HB PRO 87 1HB PRO 87 -15.008 -6.834 -11.391 652 1HG PRO 87 2HG PRO 87 -12.414 -8.307 -11.079 653 2HG PRO 87 1HG PRO 87 -13.250 -7.832 -12.570 654 1HD PRO 87 2HD PRO 87 -11.191 -6.405 -11.557 655 2HD PRO 87 1HD PRO 87 -12.542 -5.637 -12.416 656 H GLU 88 H GLU 88 -15.127 -6.599 -7.543 657 HA GLU 88 HA GLU 88 -13.214 -7.409 -5.675 658 1HB GLU 88 2HB GLU 88 -16.156 -8.096 -5.688 659 2HB GLU 88 1HB GLU 88 -15.105 -8.022 -4.281 660 1HG GLU 88 2HG GLU 88 -14.828 -5.624 -4.598 661 2HG GLU 88 1HG GLU 88 -15.838 -5.690 -6.041 662 H LYS 89 H LYS 89 -12.188 -9.023 -7.367 663 HA LYS 89 HA LYS 89 -13.446 -11.621 -7.469 664 1HB LYS 89 2HB LYS 89 -10.722 -10.692 -8.373 665 2HB LYS 89 1HB LYS 89 -11.383 -12.292 -8.671 666 1HG LYS 89 2HG LYS 89 -12.447 -9.677 -9.720 667 2HG LYS 89 1HG LYS 89 -11.617 -10.929 -10.642 668 1HD LYS 89 2HD LYS 89 -13.909 -11.219 -11.116 669 2HD LYS 89 1HD LYS 89 -13.508 -12.483 -9.954 670 1HE LYS 89 2HE LYS 89 -14.456 -11.142 -8.152 671 2HE LYS 89 1HE LYS 89 -14.813 -9.845 -9.286 672 1HZ LYS 89 1HZ LYS 89 -16.791 -10.828 -9.444 673 2HZ LYS 89 2HZ LYS 89 -16.252 -12.274 -8.751 674 3HZ LYS 89 3HZ LYS 89 -16.020 -11.990 -10.403 675 H LEU 90 H LEU 90 -10.773 -10.127 -5.743 676 HA LEU 90 HA LEU 90 -9.654 -12.409 -4.612 677 1HB LEU 90 2HB LEU 90 -8.481 -10.360 -4.453 678 2HB LEU 90 1HB LEU 90 -9.820 -9.571 -3.645 679 HG LEU 90 HG LEU 90 -8.710 -11.888 -2.205 680 1HD1 LEU 90 1HD1 LEU 90 -6.576 -11.276 -2.602 681 2HD1 LEU 90 2HD1 LEU 90 -6.930 -10.052 -1.382 682 3HD1 LEU 90 3HD1 LEU 90 -7.022 -9.643 -3.094 683 1HD2 LEU 90 1HD2 LEU 90 -10.272 -10.696 -0.985 684 2HD2 LEU 90 2HD2 LEU 90 -9.724 -9.141 -1.610 685 3HD2 LEU 90 3HD2 LEU 90 -8.757 -9.996 -0.409 686 HA PRO 91 HA PRO 91 -12.642 -11.943 -0.897 687 1HB PRO 91 2HB PRO 91 -14.784 -10.342 -1.096 688 2HB PRO 91 1HB PRO 91 -13.193 -9.714 -0.650 689 1HG PRO 91 2HG PRO 91 -14.578 -9.654 -3.306 690 2HG PRO 91 1HG PRO 91 -13.666 -8.369 -2.492 691 1HD PRO 91 2HD PRO 91 -12.629 -9.946 -4.469 692 2HD PRO 91 1HD PRO 91 -11.645 -9.190 -3.199 693 H GLU 92 H GLU 92 -13.697 -13.849 -0.813 694 HA GLU 92 HA GLU 92 -15.105 -15.085 -2.846 695 1HB GLU 92 2HB GLU 92 -15.374 -15.341 0.149 696 2HB GLU 92 1HB GLU 92 -16.272 -16.362 -0.966 697 1HG GLU 92 2HG GLU 92 -13.270 -16.162 -0.824 698 2HG GLU 92 1HG GLU 92 -14.249 -17.443 -0.107 699 H SER 93 H SER 93 -16.129 -12.619 -0.635 700 HA SER 93 HA SER 93 -18.697 -12.423 -2.034 701 1HB SER 93 2HB SER 93 -19.272 -13.628 -0.035 702 2HB SER 93 1HB SER 93 -18.348 -12.515 0.971 703 HG SER 93 HG SER 93 -20.894 -12.294 -0.025 704 H LEU 94 H LEU 94 -19.292 -10.371 0.261 705 HA LEU 94 HA LEU 94 -18.016 -8.127 -1.118 706 1HB LEU 94 2HB LEU 94 -20.405 -8.328 0.697 707 2HB LEU 94 1HB LEU 94 -19.696 -6.787 0.259 708 HG LEU 94 HG LEU 94 -21.682 -7.406 -1.101 709 1HD1 LEU 94 1HD1 LEU 94 -20.826 -6.136 -2.707 710 2HD1 LEU 94 2HD1 LEU 94 -19.707 -7.407 -3.201 711 3HD1 LEU 94 3HD1 LEU 94 -19.262 -6.293 -1.907 712 1HD2 LEU 94 1HD2 LEU 94 -21.494 -9.135 -2.784 713 2HD2 LEU 94 2HD2 LEU 94 -21.260 -9.831 -1.180 714 3HD2 LEU 94 3HD2 LEU 94 -19.869 -9.538 -2.225 715 H MET 95 H MET 95 -16.331 -9.531 0.482 716 HA MET 95 HA MET 95 -15.950 -8.944 3.108 717 1HB MET 95 2HB MET 95 -14.356 -9.824 0.935 718 2HB MET 95 1HB MET 95 -13.443 -8.562 1.748 719 1HG MET 95 2HG MET 95 -14.589 -11.023 3.040 720 2HG MET 95 1HG MET 95 -12.902 -10.771 2.600 721 1HE MET 95 1HE MET 95 -13.784 -11.387 5.945 722 2HE MET 95 2HE MET 95 -12.250 -10.568 6.235 723 3HE MET 95 3HE MET 95 -12.442 -11.611 4.825 724 HA PRO 96 HA PRO 96 -15.620 -4.442 2.862 725 1HB PRO 96 2HB PRO 96 -16.168 -3.923 5.432 726 2HB PRO 96 1HB PRO 96 -17.431 -4.421 4.302 727 1HG PRO 96 2HG PRO 96 -16.023 -6.010 6.395 728 2HG PRO 96 1HG PRO 96 -17.722 -6.068 5.892 729 1HD PRO 96 2HD PRO 96 -15.741 -7.846 5.080 730 2HD PRO 96 1HD PRO 96 -17.291 -7.591 4.255 731 H LYS 97 HN LYS 97 -13.860 -3.164 3.115 732 HA LYS 97 HA LYS 97 -11.878 -3.864 5.169 733 1HB LYS 97 2HB LYS 97 -11.241 -3.192 2.293 734 2HB LYS 97 1HB LYS 97 -10.057 -3.380 3.574 735 1HG LYS 97 2HG LYS 97 -10.030 -5.392 2.364 736 2HG LYS 97 1HG LYS 97 -10.913 -5.738 3.851 737 1HD LYS 97 2HD LYS 97 -11.947 -6.691 1.784 738 2HD LYS 97 1HD LYS 97 -13.010 -5.637 2.712 739 1HE LYS 97 2HE LYS 97 -12.668 -3.833 1.181 740 2HE LYS 97 1HE LYS 97 -11.408 -4.726 0.329 741 1HZ LYS 97 1HZ LYS 97 -14.308 -5.004 0.195 742 2HZ LYS 97 2HZ LYS 97 -13.407 -6.426 0.086 743 3HZ LYS 97 3HZ LYS 97 -13.150 -5.176 -1.028 Start of MODEL 17 1 1H TRP 6 1H TRP 6 -0.217 -6.026 -17.674 2 2H TRP 6 2H TRP 6 1.455 -6.286 -17.696 3 3H TRP 6 3H TRP 6 0.692 -5.583 -19.033 4 HA TRP 6 HA TRP 6 0.573 -3.552 -18.123 5 1HB TRP 6 2HB TRP 6 -0.179 -5.156 -15.780 6 2HB TRP 6 1HB TRP 6 0.626 -3.641 -15.383 7 HD1 TRP 6 HD1 TRP 6 -1.719 -3.971 -18.406 8 HE1 TRP 6 HE1 TRP 6 -3.757 -2.449 -18.019 9 HE3 TRP 6 HE3 TRP 6 -0.763 -2.543 -13.598 10 HZ2 TRP 6 HZ2 TRP 6 -4.822 -0.857 -15.949 11 HZ3 TRP 6 HZ3 TRP 6 -2.337 -1.024 -12.485 12 HH2 TRP 6 HH2 TRP 6 -4.328 -0.193 -13.633 13 H LYS 7 H LYS 7 2.871 -4.401 -18.997 14 HA LYS 7 HA LYS 7 4.992 -4.473 -17.102 15 1HB LYS 7 2HB LYS 7 6.454 -4.402 -19.026 16 2HB LYS 7 1HB LYS 7 5.117 -5.502 -19.341 17 1HG LYS 7 2HG LYS 7 4.009 -3.513 -20.517 18 2HG LYS 7 1HG LYS 7 5.613 -2.775 -20.479 19 1HD LYS 7 2HD LYS 7 5.358 -3.884 -22.589 20 2HD LYS 7 1HD LYS 7 6.501 -4.815 -21.616 21 1HE LYS 7 2HE LYS 7 4.738 -6.383 -21.011 22 2HE LYS 7 1HE LYS 7 3.562 -5.438 -21.924 23 1HZ LYS 7 1HZ LYS 7 5.965 -6.617 -23.196 24 2HZ LYS 7 2HZ LYS 7 4.561 -6.040 -23.944 25 3HZ LYS 7 3HZ LYS 7 4.512 -7.474 -23.049 26 H ILE 8 H ILE 8 6.495 -2.904 -16.566 27 HA ILE 8 HA ILE 8 5.554 -0.149 -16.750 28 HB ILE 8 HB ILE 8 7.894 -1.328 -15.243 29 1HG1 ILE 8 2HG1 ILE 8 5.531 -0.268 -13.835 30 2HG1 ILE 8 1HG1 ILE 8 5.287 -1.784 -14.701 31 1HG2 ILE 8 1HG2 ILE 8 8.403 0.932 -15.513 32 2HG2 ILE 8 2HG2 ILE 8 7.609 0.867 -13.940 33 3HG2 ILE 8 3HG2 ILE 8 6.717 1.429 -15.356 34 1HD1 ILE 8 1HD1 ILE 8 6.070 -2.765 -12.875 35 2HD1 ILE 8 2HD1 ILE 8 6.688 -1.245 -12.226 36 3HD1 ILE 8 3HD1 ILE 8 7.658 -2.178 -13.366 37 H THR 9 H THR 9 6.390 1.313 -18.147 38 HA THR 9 HA THR 9 8.463 0.653 -19.975 39 HB THR 9 HB THR 9 7.852 3.518 -19.335 40 HG1 THR 9 HG1 THR 9 5.902 3.403 -20.399 41 1HG2 THR 9 1HG2 THR 9 8.439 1.919 -21.817 42 2HG2 THR 9 2HG2 THR 9 9.407 3.202 -21.089 43 3HG2 THR 9 3HG2 THR 9 7.874 3.588 -21.875 44 H ASP 10 H ASP 10 10.652 1.111 -19.905 45 HA ASP 10 HA ASP 10 12.023 1.128 -17.571 46 1HB ASP 10 2HB ASP 10 12.650 1.526 -20.307 47 2HB ASP 10 1HB ASP 10 13.520 2.750 -19.385 48 H GLU 11 H GLU 11 11.025 4.083 -19.331 49 HA GLU 11 HA GLU 11 12.178 5.947 -17.566 50 1HB GLU 11 2HB GLU 11 10.433 6.022 -19.810 51 2HB GLU 11 1HB GLU 11 9.676 6.954 -18.528 52 1HG GLU 11 2HG GLU 11 11.897 8.169 -18.304 53 2HG GLU 11 1HG GLU 11 12.341 7.402 -19.832 54 H GLN 12 H GLN 12 8.775 4.894 -17.724 55 HA GLN 12 HA GLN 12 7.833 6.099 -15.447 56 1HB GLN 12 2HB GLN 12 7.089 3.761 -17.082 57 2HB GLN 12 1HB GLN 12 6.444 3.769 -15.452 58 1HG GLN 12 2HG GLN 12 4.852 4.756 -16.945 59 2HG GLN 12 1HG GLN 12 5.488 6.000 -15.870 60 1HE2 GLN 12 1HE2 GLN 12 4.648 5.386 -18.961 61 2HE2 GLN 12 2HE2 GLN 12 5.624 6.562 -19.766 62 H ARG 13 H ARG 13 9.507 2.991 -15.773 63 HA ARG 13 HA ARG 13 9.214 2.008 -13.199 64 1HB ARG 13 2HB ARG 13 10.316 0.801 -15.072 65 2HB ARG 13 1HB ARG 13 11.710 1.861 -14.896 66 1HG ARG 13 2HG ARG 13 11.951 1.047 -12.557 67 2HG ARG 13 1HG ARG 13 10.671 -0.125 -12.890 68 1HD ARG 13 2HD ARG 13 13.313 0.104 -14.325 69 2HD ARG 13 1HD ARG 13 12.859 -1.146 -13.166 70 HE ARG 13 HE ARG 13 10.982 -1.124 -15.243 71 1HH1 ARG 13 2HH1 ARG 13 14.300 -1.891 -14.686 72 2HH1 ARG 13 1HH1 ARG 13 14.368 -3.067 -15.948 73 1HH2 ARG 13 1HH2 ARG 13 11.061 -2.658 -16.882 74 2HH2 ARG 13 2HH2 ARG 13 12.535 -3.500 -17.188 75 H GLN 14 H GLN 14 11.891 4.017 -14.435 76 HA GLN 14 HA GLN 14 13.101 4.418 -11.913 77 1HB GLN 14 2HB GLN 14 14.348 6.214 -13.040 78 2HB GLN 14 1HB GLN 14 14.310 4.756 -14.020 79 1HG GLN 14 2HG GLN 14 12.554 5.698 -15.392 80 2HG GLN 14 1HG GLN 14 12.520 7.145 -14.386 81 1HE2 GLN 14 1HE2 GLN 14 15.659 6.085 -14.640 82 2HE2 GLN 14 2HE2 GLN 14 16.172 7.090 -15.948 83 H TYR 15 H TYR 15 10.649 6.137 -13.732 84 HA TYR 15 HA TYR 15 10.465 8.554 -12.482 85 1HB TYR 15 2HB TYR 15 9.018 7.717 -14.358 86 2HB TYR 15 1HB TYR 15 8.076 6.829 -13.164 87 HD1 TYR 15 HD1 TYR 15 9.064 10.217 -14.269 88 HD2 TYR 15 HD2 TYR 15 6.419 7.915 -11.856 89 HE1 TYR 15 HE1 TYR 15 7.687 12.217 -13.884 90 HE2 TYR 15 HE2 TYR 15 5.031 9.908 -11.466 91 HH TYR 15 HH TYR 15 6.070 13.053 -12.244 92 H TYR 16 H TYR 16 8.802 5.580 -11.398 93 HA TYR 16 HA TYR 16 7.860 6.831 -9.006 94 1HB TYR 16 2HB TYR 16 6.929 4.728 -8.418 95 2HB TYR 16 1HB TYR 16 6.780 4.857 -10.166 96 HD1 TYR 16 HD1 TYR 16 9.091 3.485 -7.574 97 HD2 TYR 16 HD2 TYR 16 7.432 3.053 -11.469 98 HE1 TYR 16 HE1 TYR 16 10.234 1.325 -7.812 99 HE2 TYR 16 HE2 TYR 16 8.575 0.887 -11.718 100 HH TYR 16 HH TYR 16 9.736 -0.860 -9.278 101 H VAL 17 H VAL 17 10.580 4.677 -9.741 102 HA VAL 17 HA VAL 17 11.467 4.138 -7.168 103 HB VAL 17 HB VAL 17 13.217 4.708 -9.567 104 1HG1 VAL 17 1HG1 VAL 17 14.516 2.807 -8.189 105 2HG1 VAL 17 2HG1 VAL 17 13.728 3.652 -6.857 106 3HG1 VAL 17 3HG1 VAL 17 14.791 4.533 -7.954 107 1HG2 VAL 17 1HG2 VAL 17 11.363 2.975 -9.836 108 2HG2 VAL 17 2HG2 VAL 17 12.264 2.006 -8.669 109 3HG2 VAL 17 3HG2 VAL 17 13.009 2.461 -10.201 110 H ASN 18 H ASN 18 12.279 6.920 -9.238 111 HA ASN 18 HA ASN 18 14.105 8.208 -7.651 112 1HB ASN 18 2HB ASN 18 12.187 8.996 -9.734 113 2HB ASN 18 1HB ASN 18 12.709 10.301 -8.682 114 1HD2 ASN 18 1HD2 ASN 18 14.467 11.330 -9.296 115 2HD2 ASN 18 2HD2 ASN 18 15.715 10.694 -10.306 116 H GLN 19 H GLN 19 10.583 8.295 -7.355 117 HA GLN 19 HA GLN 19 10.741 10.178 -5.146 118 1HB GLN 19 2HB GLN 19 8.380 8.822 -6.447 119 2HB GLN 19 1HB GLN 19 8.264 10.041 -5.185 120 1HG GLN 19 2HG GLN 19 9.507 10.455 -7.896 121 2HG GLN 19 1HG GLN 19 7.883 10.958 -7.429 122 1HE2 GLN 19 1HE2 GLN 19 10.843 12.111 -7.950 123 2HE2 GLN 19 2HE2 GLN 19 10.861 13.437 -6.847 124 H PHE 20 H PHE 20 9.369 6.886 -5.578 125 HA PHE 20 HA PHE 20 8.807 6.533 -2.845 126 1HB PHE 20 2HB PHE 20 8.664 4.913 -5.231 127 2HB PHE 20 1HB PHE 20 9.160 3.973 -3.822 128 HD1 PHE 20 HD1 PHE 20 7.453 2.970 -2.674 129 HD2 PHE 20 HD2 PHE 20 6.746 6.723 -4.552 130 HE1 PHE 20 HE1 PHE 20 5.129 2.932 -1.868 131 HE2 PHE 20 HE2 PHE 20 4.420 6.690 -3.752 132 HZ PHE 20 HZ PHE 20 3.615 4.796 -2.409 133 H LYS 21 H LYS 21 11.777 6.058 -4.615 134 HA LYS 21 HA LYS 21 13.167 4.231 -3.168 135 1HB LYS 21 2HB LYS 21 15.203 5.674 -3.536 136 2HB LYS 21 1HB LYS 21 14.248 5.350 -4.979 137 1HG LYS 21 2HG LYS 21 13.180 7.549 -4.741 138 2HG LYS 21 1HG LYS 21 14.190 7.867 -3.330 139 1HD LYS 21 2HD LYS 21 15.856 7.035 -5.488 140 2HD LYS 21 1HD LYS 21 14.794 8.332 -6.050 141 1HE LYS 21 2HE LYS 21 16.713 8.359 -3.735 142 2HE LYS 21 1HE LYS 21 16.700 9.408 -5.162 143 1HZ LYS 21 1HZ LYS 21 14.308 9.429 -3.493 144 2HZ LYS 21 2HZ LYS 21 15.067 10.702 -4.310 145 3HZ LYS 21 3HZ LYS 21 15.691 10.151 -2.836 146 H THR 22 H THR 22 12.123 7.367 -2.073 147 HA THR 22 HA THR 22 13.717 7.843 0.127 148 HB THR 22 HB THR 22 10.715 8.225 0.030 149 HG1 THR 22 HG1 THR 22 11.230 9.567 -1.530 150 1HG2 THR 22 1HG2 THR 22 12.894 9.307 1.788 151 2HG2 THR 22 2HG2 THR 22 11.329 8.629 2.242 152 3HG2 THR 22 3HG2 THR 22 11.418 10.233 1.513 153 H ILE 23 H ILE 23 10.962 5.661 -0.158 154 HA ILE 23 HA ILE 23 11.596 4.575 2.506 155 HB ILE 23 HB ILE 23 8.963 4.433 1.037 156 1HG1 ILE 23 2HG1 ILE 23 8.643 5.835 3.423 157 2HG1 ILE 23 1HG1 ILE 23 10.143 6.462 2.752 158 1HG2 ILE 23 1HG2 ILE 23 9.481 3.746 3.914 159 2HG2 ILE 23 2HG2 ILE 23 9.607 2.549 2.625 160 3HG2 ILE 23 3HG2 ILE 23 8.071 3.363 2.926 161 1HD1 ILE 23 1HD1 ILE 23 7.692 7.396 2.141 162 2HD1 ILE 23 2HD1 ILE 23 7.926 6.223 0.844 163 3HD1 ILE 23 3HD1 ILE 23 9.096 7.524 1.081 164 H GLN 24 H GLN 24 10.749 3.718 -0.842 165 HA GLN 24 HA GLN 24 11.502 0.947 -0.212 166 1HB GLN 24 2HB GLN 24 9.242 1.969 -1.470 167 2HB GLN 24 1HB GLN 24 10.212 1.281 -2.764 168 1HG GLN 24 2HG GLN 24 8.743 -0.418 -1.971 169 2HG GLN 24 1HG GLN 24 10.371 -0.819 -1.433 170 1HE2 GLN 24 1HE2 GLN 24 10.792 0.465 0.830 171 2HE2 GLN 24 2HE2 GLN 24 9.578 0.127 2.007 172 HA PRO 25 HA PRO 25 14.958 2.696 -2.815 173 1HB PRO 25 2HB PRO 25 16.905 1.410 -1.374 174 2HB PRO 25 1HB PRO 25 16.311 3.034 -1.016 175 1HG PRO 25 2HG PRO 25 15.580 0.425 0.249 176 2HG PRO 25 1HG PRO 25 15.862 2.001 1.011 177 1HD PRO 25 2HD PRO 25 13.381 1.047 0.579 178 2HD PRO 25 1HD PRO 25 13.757 2.780 0.478 179 H ASP 26 H ASP 26 14.936 -0.618 -1.428 180 HA ASP 26 HA ASP 26 15.210 -1.726 -4.113 181 1HB ASP 26 2HB ASP 26 17.480 -1.384 -2.900 182 2HB ASP 26 1HB ASP 26 16.965 -2.719 -1.879 183 H LEU 27 H LEU 27 15.314 -4.301 -3.707 184 HA LEU 27 HA LEU 27 12.781 -5.051 -2.823 185 1HB LEU 27 2HB LEU 27 15.050 -6.306 -4.009 186 2HB LEU 27 1HB LEU 27 14.460 -7.327 -2.709 187 HG LEU 27 HG LEU 27 12.205 -7.288 -3.719 188 1HD1 LEU 27 1HD1 LEU 27 11.989 -5.327 -4.902 189 2HD1 LEU 27 2HD1 LEU 27 12.253 -6.491 -6.201 190 3HD1 LEU 27 3HD1 LEU 27 13.582 -5.473 -5.645 191 1HD2 LEU 27 1HD2 LEU 27 12.943 -8.489 -5.913 192 2HD2 LEU 27 2HD2 LEU 27 13.349 -9.192 -4.347 193 3HD2 LEU 27 3HD2 LEU 27 14.566 -8.292 -5.251 194 H ASN 28 H ASN 28 15.155 -4.045 -0.822 195 HA ASN 28 HA ASN 28 14.523 -5.978 1.296 196 1HB ASN 28 2HB ASN 28 16.932 -5.143 0.697 197 2HB ASN 28 1HB ASN 28 16.476 -3.731 1.644 198 1HD2 ASN 28 1HD2 ASN 28 15.570 -4.235 3.835 199 2HD2 ASN 28 2HD2 ASN 28 16.337 -5.511 4.715 200 H GLY 29 H GLY 29 13.304 -3.153 0.134 201 1HA GLY 29 2HA GLY 29 12.607 -2.088 2.797 202 2HA GLY 29 1HA GLY 29 12.495 -1.196 1.289 203 H PHE 30 H PHE 30 10.508 -1.908 3.499 204 HA PHE 30 HA PHE 30 8.367 -2.832 1.690 205 1HB PHE 30 2HB PHE 30 8.461 -3.654 4.589 206 2HB PHE 30 1HB PHE 30 7.492 -4.334 3.286 207 HD1 PHE 30 HD1 PHE 30 11.060 -3.852 4.242 208 HD2 PHE 30 HD2 PHE 30 8.160 -6.327 2.353 209 HE1 PHE 30 HE1 PHE 30 12.778 -5.575 3.877 210 HE2 PHE 30 HE2 PHE 30 9.872 -8.055 1.986 211 HZ PHE 30 HZ PHE 30 12.183 -7.682 2.750 212 H ILE 31 H ILE 31 6.414 -1.839 1.959 213 HA ILE 31 HA ILE 31 6.301 0.386 3.879 214 HB ILE 31 HB ILE 31 5.248 0.052 1.096 215 1HG1 ILE 31 2HG1 ILE 31 6.526 2.471 2.335 216 2HG1 ILE 31 1HG1 ILE 31 7.503 1.123 1.751 217 1HG2 ILE 31 1HG2 ILE 31 4.227 1.977 3.172 218 2HG2 ILE 31 2HG2 ILE 31 3.307 0.771 2.274 219 3HG2 ILE 31 3HG2 ILE 31 3.974 2.174 1.439 220 1HD1 ILE 31 1HD1 ILE 31 7.464 2.596 -0.040 221 2HD1 ILE 31 2HD1 ILE 31 5.764 2.997 0.202 222 3HD1 ILE 31 3HD1 ILE 31 6.214 1.421 -0.452 223 HA PRO 32 HA PRO 32 2.869 -1.932 5.625 224 1HB PRO 32 2HB PRO 32 2.317 -0.164 7.608 225 2HB PRO 32 1HB PRO 32 3.662 -1.306 7.695 226 1HG PRO 32 2HG PRO 32 3.682 1.598 6.982 227 2HG PRO 32 1HG PRO 32 4.826 0.681 7.980 228 1HD PRO 32 2HD PRO 32 5.311 1.350 5.384 229 2HD PRO 32 1HD PRO 32 5.979 -0.104 6.154 230 H GLY 33 H GLY 33 0.604 -1.730 5.536 231 1HA GLY 33 2HA GLY 33 -0.554 -0.207 3.575 232 2HA GLY 33 1HA GLY 33 -1.441 -0.792 4.973 233 H SER 34 H SER 34 0.194 0.814 6.818 234 HA SER 34 HA SER 34 -1.410 3.131 6.911 235 1HB SER 34 2HB SER 34 -0.386 2.202 8.930 236 2HB SER 34 1HB SER 34 1.223 2.557 8.300 237 HG SER 34 HG SER 34 -0.549 4.193 9.562 238 H ALA 35 H ALA 35 1.942 2.600 5.850 239 HA ALA 35 HA ALA 35 2.373 5.350 5.199 240 1HB ALA 35 1HB ALA 35 4.359 4.290 5.633 241 2HB ALA 35 2HB ALA 35 4.339 4.236 3.871 242 3HB ALA 35 3HB ALA 35 3.880 2.811 4.802 243 H ALA 36 H ALA 36 1.606 2.425 3.317 244 HA ALA 36 HA ALA 36 1.725 3.560 0.768 245 1HB ALA 36 1HB ALA 36 0.210 1.265 1.936 246 2HB ALA 36 2HB ALA 36 1.519 1.261 0.754 247 3HB ALA 36 3HB ALA 36 -0.101 1.769 0.275 248 H LYS 37 H LYS 37 -1.188 3.140 2.828 249 HA LYS 37 HA LYS 37 -2.952 4.513 1.166 250 1HB LYS 37 2HB LYS 37 -2.960 4.252 4.179 251 2HB LYS 37 1HB LYS 37 -4.319 4.759 3.198 252 1HG LYS 37 2HG LYS 37 -4.287 2.544 2.071 253 2HG LYS 37 1HG LYS 37 -3.014 2.049 3.199 254 1HD LYS 37 2HD LYS 37 -4.502 2.433 5.085 255 2HD LYS 37 1HD LYS 37 -5.764 3.013 3.997 256 1HE LYS 37 2HE LYS 37 -6.114 0.682 4.739 257 2HE LYS 37 1HE LYS 37 -5.972 0.838 2.989 258 1HZ LYS 37 1HZ LYS 37 -4.073 -0.337 2.951 259 2HZ LYS 37 2HZ LYS 37 -4.633 -0.954 4.425 260 3HZ LYS 37 3HZ LYS 37 -3.496 0.303 4.411 261 H GLU 38 H GLU 38 -1.182 5.676 4.037 262 HA GLU 38 HA GLU 38 -2.030 8.324 3.973 263 1HB GLU 38 2HB GLU 38 -0.096 6.793 5.357 264 2HB GLU 38 1HB GLU 38 0.709 8.241 4.771 265 1HG GLU 38 2HG GLU 38 -1.824 8.195 6.402 266 2HG GLU 38 1HG GLU 38 -0.206 8.540 7.016 267 H PHE 39 H PHE 39 0.770 6.848 2.386 268 HA PHE 39 HA PHE 39 1.896 9.162 1.320 269 1HB PHE 39 2HB PHE 39 2.378 6.442 1.196 270 2HB PHE 39 1HB PHE 39 2.027 6.869 -0.466 271 HD1 PHE 39 HD1 PHE 39 3.961 7.091 -1.683 272 HD2 PHE 39 HD2 PHE 39 3.839 8.588 2.297 273 HE1 PHE 39 HE1 PHE 39 6.252 7.954 -1.943 274 HE2 PHE 39 HE2 PHE 39 6.127 9.455 2.046 275 HZ PHE 39 HZ PHE 39 7.336 9.140 -0.075 276 H PHE 40 H PHE 40 -0.317 6.861 -0.292 277 HA PHE 40 HA PHE 40 -0.641 8.412 -2.621 278 1HB PHE 40 2HB PHE 40 -2.341 6.256 -1.381 279 2HB PHE 40 1HB PHE 40 -2.765 7.034 -2.899 280 HD1 PHE 40 HD1 PHE 40 -0.538 4.683 -1.259 281 HD2 PHE 40 HD2 PHE 40 -1.379 6.735 -4.884 282 HE1 PHE 40 HE1 PHE 40 0.941 3.135 -2.467 283 HE2 PHE 40 HE2 PHE 40 0.091 5.187 -6.104 284 HZ PHE 40 HZ PHE 40 1.254 3.384 -4.897 285 H THR 41 H THR 41 -2.581 8.236 0.338 286 HA THR 41 HA THR 41 -4.780 9.712 -0.276 287 HB THR 41 HB THR 41 -3.115 9.921 2.242 288 HG1 THR 41 HG1 THR 41 -3.919 7.882 2.100 289 1HG2 THR 41 1HG2 THR 41 -4.854 11.050 3.310 290 2HG2 THR 41 2HG2 THR 41 -6.023 10.640 2.056 291 3HG2 THR 41 3HG2 THR 41 -4.772 11.840 1.736 292 H LYS 42 H LYS 42 -1.542 10.980 0.345 293 HA LYS 42 HA LYS 42 -2.165 13.715 0.394 294 1HB LYS 42 2HB LYS 42 0.363 12.388 -0.600 295 2HB LYS 42 1HB LYS 42 0.206 14.069 -0.103 296 1HG LYS 42 2HG LYS 42 -0.311 11.723 1.708 297 2HG LYS 42 1HG LYS 42 1.227 12.586 1.610 298 1HD LYS 42 2HD LYS 42 0.360 14.507 2.564 299 2HD LYS 42 1HD LYS 42 -1.295 14.108 2.103 300 1HE LYS 42 2HE LYS 42 -0.808 13.903 4.550 301 2HE LYS 42 1HE LYS 42 -1.458 12.447 3.797 302 1HZ LYS 42 1HZ LYS 42 0.582 12.331 5.380 303 2HZ LYS 42 2HZ LYS 42 1.453 12.747 3.990 304 3HZ LYS 42 3HZ LYS 42 0.504 11.345 4.014 305 H SER 43 H SER 43 -1.608 11.527 -2.286 306 HA SER 43 HA SER 43 -1.190 13.300 -4.368 307 1HB SER 43 2HB SER 43 -2.710 10.685 -4.402 308 2HB SER 43 1HB SER 43 -2.120 11.528 -5.835 309 HG SER 43 HG SER 43 -0.653 9.924 -5.160 310 H LYS 44 H LYS 44 -4.356 11.891 -3.468 311 HA LYS 44 HA LYS 44 -5.845 14.169 -3.465 312 1HB LYS 44 2HB LYS 44 -4.939 14.404 -5.832 313 2HB LYS 44 1HB LYS 44 -5.967 13.047 -6.260 314 1HG LYS 44 2HG LYS 44 -7.098 15.054 -6.859 315 2HG LYS 44 1HG LYS 44 -7.922 14.367 -5.457 316 1HD LYS 44 2HD LYS 44 -5.780 16.444 -5.140 317 2HD LYS 44 1HD LYS 44 -7.451 16.900 -5.483 318 1HE LYS 44 2HE LYS 44 -6.582 15.180 -3.162 319 2HE LYS 44 1HE LYS 44 -6.890 16.909 -3.061 320 1HZ LYS 44 1HZ LYS 44 -9.174 16.497 -3.750 321 2HZ LYS 44 2HZ LYS 44 -8.805 15.629 -2.347 322 3HZ LYS 44 3HZ LYS 44 -8.871 14.833 -3.836 323 H LEU 45 H LEU 45 -5.828 10.912 -4.835 324 HA LEU 45 HA LEU 45 -8.581 10.408 -4.582 325 1HB LEU 45 2HB LEU 45 -6.155 8.714 -4.889 326 2HB LEU 45 1HB LEU 45 -7.653 7.936 -4.413 327 HG LEU 45 HG LEU 45 -8.752 8.814 -6.429 328 1HD1 LEU 45 1HD1 LEU 45 -6.077 10.089 -6.843 329 2HD1 LEU 45 2HD1 LEU 45 -7.686 10.799 -6.971 330 3HD1 LEU 45 3HD1 LEU 45 -7.110 9.691 -8.216 331 1HD2 LEU 45 1HD2 LEU 45 -7.764 6.608 -6.515 332 2HD2 LEU 45 2HD2 LEU 45 -6.195 7.296 -6.934 333 3HD2 LEU 45 3HD2 LEU 45 -7.543 7.422 -8.064 334 HA PRO 46 HA PRO 46 -9.084 9.850 -0.231 335 1HB PRO 46 2HB PRO 46 -11.434 8.522 -0.259 336 2HB PRO 46 1HB PRO 46 -11.316 10.244 -0.641 337 1HG PRO 46 2HG PRO 46 -11.515 7.902 -2.494 338 2HG PRO 46 1HG PRO 46 -12.338 9.471 -2.580 339 1HD PRO 46 2HD PRO 46 -10.139 8.862 -4.062 340 2HD PRO 46 1HD PRO 46 -10.519 10.512 -3.529 341 H ILE 47 H ILE 47 -8.807 8.287 1.338 342 HA ILE 47 HA ILE 47 -7.387 5.980 0.742 343 HB ILE 47 HB ILE 47 -9.074 6.475 3.206 344 1HG1 ILE 47 2HG1 ILE 47 -6.898 7.207 4.209 345 2HG1 ILE 47 1HG1 ILE 47 -6.172 7.116 2.608 346 1HG2 ILE 47 1HG2 ILE 47 -6.889 4.960 3.933 347 2HG2 ILE 47 2HG2 ILE 47 -7.370 4.268 2.383 348 3HG2 ILE 47 3HG2 ILE 47 -8.535 4.370 3.704 349 1HD1 ILE 47 1HD1 ILE 47 -6.922 9.131 2.082 350 2HD1 ILE 47 2HD1 ILE 47 -7.396 9.311 3.772 351 3HD1 ILE 47 3HD1 ILE 47 -8.562 8.726 2.586 352 H LEU 48 H LEU 48 -10.823 6.482 0.757 353 HA LEU 48 HA LEU 48 -11.920 4.030 1.246 354 1HB LEU 48 2HB LEU 48 -12.835 6.383 0.244 355 2HB LEU 48 1HB LEU 48 -12.995 5.353 -1.160 356 HG LEU 48 HG LEU 48 -14.259 3.743 0.428 357 1HD1 LEU 48 1HD1 LEU 48 -14.104 6.266 2.026 358 2HD1 LEU 48 2HD1 LEU 48 -13.933 4.591 2.555 359 3HD1 LEU 48 3HD1 LEU 48 -15.525 5.228 2.142 360 1HD2 LEU 48 1HD2 LEU 48 -16.356 5.203 0.122 361 2HD2 LEU 48 2HD2 LEU 48 -15.467 4.714 -1.321 362 3HD2 LEU 48 3HD2 LEU 48 -15.273 6.345 -0.676 363 H GLU 49 H GLU 49 -11.754 4.897 -2.198 364 HA GLU 49 HA GLU 49 -11.819 2.341 -3.186 365 1HB GLU 49 2HB GLU 49 -10.197 4.504 -4.506 366 2HB GLU 49 1HB GLU 49 -11.158 3.242 -5.267 367 1HG GLU 49 2HG GLU 49 -12.115 5.710 -3.857 368 2HG GLU 49 1HG GLU 49 -12.342 5.261 -5.546 369 H LEU 50 H LEU 50 -9.005 4.289 -2.338 370 HA LEU 50 HA LEU 50 -6.887 2.804 -3.182 371 1HB LEU 50 2HB LEU 50 -7.416 4.405 -0.727 372 2HB LEU 50 1HB LEU 50 -5.955 3.443 -0.763 373 HG LEU 50 HG LEU 50 -5.230 4.626 -2.799 374 1HD1 LEU 50 1HD1 LEU 50 -6.639 6.872 -3.077 375 2HD1 LEU 50 2HD1 LEU 50 -7.938 5.792 -2.570 376 3HD1 LEU 50 3HD1 LEU 50 -6.984 5.411 -4.002 377 1HD2 LEU 50 1HD2 LEU 50 -4.568 6.621 -1.724 378 2HD2 LEU 50 2HD2 LEU 50 -4.728 5.416 -0.445 379 3HD2 LEU 50 3HD2 LEU 50 -5.992 6.622 -0.684 380 H SER 51 H SER 51 -9.117 2.060 -0.601 381 HA SER 51 HA SER 51 -7.807 0.048 0.765 382 1HB SER 51 2HB SER 51 -10.741 0.051 0.016 383 2HB SER 51 1HB SER 51 -10.005 -0.776 1.390 384 HG SER 51 HG SER 51 -10.700 1.870 1.075 385 H HIS 52 H HIS 52 -9.673 -0.229 -2.272 386 HA HIS 52 HA HIS 52 -9.459 -3.031 -2.516 387 1HB HIS 52 2HB HIS 52 -11.029 -1.735 -3.867 388 2HB HIS 52 1HB HIS 52 -9.692 -0.932 -4.684 389 HD1 HIS 52 HD1 HIS 52 -10.596 -4.610 -4.119 390 HD2 HIS 52 HD2 HIS 52 -9.369 -2.001 -7.110 391 HE1 HIS 52 HE1 HIS 52 -10.411 -5.988 -6.231 392 H ILE 53 H ILE 53 -7.440 -0.430 -3.814 393 HA ILE 53 HA ILE 53 -5.629 -1.858 -5.324 394 HB ILE 53 HB ILE 53 -5.030 0.490 -3.515 395 1HG1 ILE 53 2HG1 ILE 53 -5.867 0.407 -6.422 396 2HG1 ILE 53 1HG1 ILE 53 -6.883 0.914 -5.075 397 1HG2 ILE 53 1HG2 ILE 53 -3.049 0.827 -4.616 398 2HG2 ILE 53 2HG2 ILE 53 -3.564 -0.063 -6.049 399 3HG2 ILE 53 3HG2 ILE 53 -3.116 -0.935 -4.583 400 1HD1 ILE 53 1HD1 ILE 53 -6.158 2.911 -5.981 401 2HD1 ILE 53 2HD1 ILE 53 -4.533 2.298 -6.289 402 3HD1 ILE 53 3HD1 ILE 53 -5.041 2.657 -4.639 403 H TRP 54 H TRP 54 -5.344 -1.104 -1.844 404 HA TRP 54 HA TRP 54 -2.930 -2.347 -1.342 405 1HB TRP 54 2HB TRP 54 -4.121 -1.026 0.344 406 2HB TRP 54 1HB TRP 54 -5.331 -2.305 0.490 407 HD1 TRP 54 HD1 TRP 54 -4.728 -4.387 1.933 408 HE1 TRP 54 HE1 TRP 54 -2.715 -5.018 3.401 409 HE3 TRP 54 HE3 TRP 54 -1.513 -0.673 0.537 410 HZ2 TRP 54 HZ2 TRP 54 -0.122 -4.060 3.900 411 HZ3 TRP 54 HZ3 TRP 54 0.722 -0.599 1.568 412 HH2 TRP 54 HH2 TRP 54 1.406 -2.264 3.216 413 H GLU 55 H GLU 55 -6.158 -3.844 -1.004 414 HA GLU 55 HA GLU 55 -5.431 -6.389 -0.303 415 1HB GLU 55 2HB GLU 55 -7.589 -5.572 -2.259 416 2HB GLU 55 1HB GLU 55 -7.473 -7.152 -1.493 417 1HG GLU 55 2HG GLU 55 -7.845 -6.209 0.667 418 2HG GLU 55 1HG GLU 55 -7.745 -4.569 0.021 419 H LEU 56 H LEU 56 -5.442 -4.960 -3.535 420 HA LEU 56 HA LEU 56 -4.672 -7.305 -4.919 421 1HB LEU 56 2HB LEU 56 -4.631 -4.379 -5.532 422 2HB LEU 56 1HB LEU 56 -3.812 -5.494 -6.608 423 HG LEU 56 HG LEU 56 -5.942 -6.721 -6.917 424 1HD1 LEU 56 1HD1 LEU 56 -7.022 -4.523 -5.171 425 2HD1 LEU 56 2HD1 LEU 56 -7.076 -6.260 -4.878 426 3HD1 LEU 56 3HD1 LEU 56 -8.026 -5.557 -6.186 427 1HD2 LEU 56 1HD2 LEU 56 -6.376 -5.413 -8.665 428 2HD2 LEU 56 2HD2 LEU 56 -5.155 -4.311 -8.029 429 3HD2 LEU 56 3HD2 LEU 56 -6.857 -4.067 -7.633 430 H SER 57 H SER 57 -2.802 -4.688 -3.428 431 HA SER 57 HA SER 57 -0.290 -5.580 -4.430 432 1HB SER 57 2HB SER 57 -1.061 -3.693 -2.212 433 2HB SER 57 1HB SER 57 0.616 -4.072 -2.581 434 HG SER 57 HG SER 57 0.467 -3.030 -4.463 435 H ASP 58 H ASP 58 -2.189 -6.456 -1.626 436 HA ASP 58 HA ASP 58 0.125 -7.831 -0.472 437 1HB ASP 58 2HB ASP 58 -1.930 -6.450 0.696 438 2HB ASP 58 1HB ASP 58 -2.435 -8.122 0.910 439 H PHE 59 H PHE 59 -0.111 -9.142 -2.608 440 HA PHE 59 HA PHE 59 -2.064 -11.102 -2.960 441 1HB PHE 59 2HB PHE 59 0.846 -10.960 -3.671 442 2HB PHE 59 1HB PHE 59 -0.008 -12.485 -3.873 443 HD1 PHE 59 HD1 PHE 59 -0.504 -12.869 -6.057 444 HD2 PHE 59 HD2 PHE 59 -0.891 -8.920 -4.533 445 HE1 PHE 59 HE1 PHE 59 -1.350 -12.118 -8.241 446 HE2 PHE 59 HE2 PHE 59 -1.740 -8.160 -6.715 447 HZ PHE 59 HZ PHE 59 -1.970 -9.758 -8.571 448 H ASP 60 H ASP 60 0.026 -10.621 -0.441 449 HA ASP 60 HA ASP 60 0.085 -13.396 0.426 450 1HB ASP 60 2HB ASP 60 1.511 -12.288 2.296 451 2HB ASP 60 1HB ASP 60 2.196 -12.403 0.678 452 H LYS 61 H LYS 61 0.108 -10.854 2.684 453 HA LYS 61 HA LYS 61 -2.296 -10.168 3.496 454 1HB LYS 61 2HB LYS 61 -3.010 -12.004 5.111 455 2HB LYS 61 1HB LYS 61 -3.245 -12.347 3.402 456 1HG LYS 61 2HG LYS 61 -2.287 -14.303 3.979 457 2HG LYS 61 1HG LYS 61 -0.807 -13.379 3.707 458 1HD LYS 61 2HD LYS 61 -0.656 -12.891 6.087 459 2HD LYS 61 1HD LYS 61 -2.167 -13.759 6.375 460 1HE LYS 61 2HE LYS 61 -1.045 -15.790 5.384 461 2HE LYS 61 1HE LYS 61 0.465 -14.882 5.446 462 1HZ LYS 61 1HZ LYS 61 -0.617 -16.386 7.459 463 2HZ LYS 61 2HZ LYS 61 -0.917 -14.792 7.937 464 3HZ LYS 61 3HZ LYS 61 0.665 -15.293 7.602 465 H ASP 62 H ASP 62 0.327 -9.458 3.750 466 HA ASP 62 HA ASP 62 0.979 -9.790 6.601 467 1HB ASP 62 2HB ASP 62 3.215 -8.866 5.907 468 2HB ASP 62 1HB ASP 62 2.793 -10.402 5.158 469 H GLY 63 H GLY 63 -0.459 -7.578 4.501 470 1HA GLY 63 2HA GLY 63 -1.091 -5.366 4.807 471 2HA GLY 63 1HA GLY 63 -0.650 -5.558 6.503 472 H ALA 64 H ALA 64 1.539 -6.235 3.953 473 HA ALA 64 HA ALA 64 2.943 -3.689 4.268 474 1HB ALA 64 1HB ALA 64 5.084 -4.840 4.583 475 2HB ALA 64 2HB ALA 64 4.242 -6.388 4.633 476 3HB ALA 64 3HB ALA 64 3.960 -5.189 5.895 477 H LEU 65 H LEU 65 3.678 -2.945 2.405 478 HA LEU 65 HA LEU 65 3.524 -4.655 0.037 479 1HB LEU 65 2HB LEU 65 3.089 -1.813 0.592 480 2HB LEU 65 1HB LEU 65 3.994 -2.115 -0.876 481 HG LEU 65 HG LEU 65 2.212 -3.372 -1.834 482 1HD1 LEU 65 1HD1 LEU 65 1.368 -3.643 0.942 483 2HD1 LEU 65 2HD1 LEU 65 1.062 -4.687 -0.446 484 3HD1 LEU 65 3HD1 LEU 65 0.046 -3.274 -0.164 485 1HD2 LEU 65 1HD2 LEU 65 0.277 -1.544 -1.032 486 2HD2 LEU 65 2HD2 LEU 65 1.383 -1.387 -2.398 487 3HD2 LEU 65 3HD2 LEU 65 1.810 -0.696 -0.833 488 H THR 66 H THR 66 5.187 -5.017 -1.268 489 HA THR 66 HA THR 66 7.842 -4.060 -0.421 490 HB THR 66 HB THR 66 8.766 -6.026 -1.538 491 HG1 THR 66 HG1 THR 66 6.152 -7.043 -1.900 492 1HG2 THR 66 1HG2 THR 66 6.818 -7.523 -0.037 493 2HG2 THR 66 2HG2 THR 66 7.220 -6.026 0.804 494 3HG2 THR 66 3HG2 THR 66 8.498 -7.159 0.364 495 H LEU 67 H LEU 67 9.397 -3.723 -2.274 496 HA LEU 67 HA LEU 67 8.589 -1.824 -4.043 497 1HB LEU 67 2HB LEU 67 10.934 -3.077 -3.577 498 2HB LEU 67 1HB LEU 67 10.546 -3.758 -5.146 499 HG LEU 67 HG LEU 67 10.785 -0.810 -4.536 500 1HD1 LEU 67 1HD1 LEU 67 12.798 -2.685 -4.847 501 2HD1 LEU 67 2HD1 LEU 67 12.952 -0.937 -5.025 502 3HD1 LEU 67 3HD1 LEU 67 12.651 -1.944 -6.442 503 1HD2 LEU 67 1HD2 LEU 67 10.639 -0.521 -6.956 504 2HD2 LEU 67 2HD2 LEU 67 9.179 -1.273 -6.314 505 3HD2 LEU 67 3HD2 LEU 67 10.379 -2.256 -7.154 506 H ASP 68 H ASP 68 8.188 -5.295 -4.394 507 HA ASP 68 HA ASP 68 7.396 -5.331 -7.125 508 1HB ASP 68 2HB ASP 68 7.786 -7.190 -5.027 509 2HB ASP 68 1HB ASP 68 6.143 -7.408 -5.602 510 H GLU 69 H GLU 69 5.521 -5.543 -4.114 511 HA GLU 69 HA GLU 69 2.974 -5.353 -5.291 512 1HB GLU 69 2HB GLU 69 3.907 -4.564 -2.514 513 2HB GLU 69 1HB GLU 69 2.230 -4.801 -2.995 514 1HG GLU 69 2HG GLU 69 2.430 -7.075 -3.076 515 2HG GLU 69 1HG GLU 69 4.140 -7.021 -3.467 516 H PHE 70 H PHE 70 5.355 -3.038 -4.317 517 HA PHE 70 HA PHE 70 3.814 -0.660 -4.443 518 1HB PHE 70 2HB PHE 70 5.873 -0.535 -3.276 519 2HB PHE 70 1HB PHE 70 6.747 -1.323 -4.579 520 HD1 PHE 70 HD1 PHE 70 4.359 1.411 -5.130 521 HD2 PHE 70 HD2 PHE 70 8.455 0.309 -4.768 522 HE1 PHE 70 HE1 PHE 70 5.024 3.603 -6.026 523 HE2 PHE 70 HE2 PHE 70 9.126 2.497 -5.670 524 HZ PHE 70 HZ PHE 70 7.413 4.153 -6.285 525 H CYS 71 H CYS 71 6.050 -2.213 -6.681 526 HA CYS 71 HA CYS 71 6.053 -0.485 -8.801 527 1HB CYS 71 2HB CYS 71 6.685 -3.249 -8.330 528 2HB CYS 71 1HB CYS 71 5.931 -3.087 -9.906 529 HG CYS 71 HG CYS 71 8.217 -2.579 -10.983 530 H ALA 72 H ALA 72 3.810 -3.238 -8.412 531 HA ALA 72 HA ALA 72 2.215 -2.489 -10.654 532 1HB ALA 72 1HB ALA 72 1.203 -4.205 -8.419 533 2HB ALA 72 2HB ALA 72 2.446 -4.795 -9.523 534 3HB ALA 72 3HB ALA 72 0.871 -4.310 -10.148 535 H ALA 73 H ALA 73 1.831 -2.067 -7.136 536 HA ALA 73 HA ALA 73 -0.714 -0.963 -7.110 537 1HB ALA 73 1HB ALA 73 0.196 -1.434 -5.020 538 2HB ALA 73 2HB ALA 73 0.185 0.328 -5.069 539 3HB ALA 73 3HB ALA 73 1.685 -0.554 -5.362 540 H PHE 74 H PHE 74 2.395 0.766 -7.347 541 HA PHE 74 HA PHE 74 1.391 3.343 -7.599 542 1HB PHE 74 2HB PHE 74 3.813 2.726 -7.366 543 2HB PHE 74 1HB PHE 74 3.809 2.262 -9.067 544 HD1 PHE 74 HD1 PHE 74 4.354 3.835 -10.670 545 HD2 PHE 74 HD2 PHE 74 3.013 5.139 -6.846 546 HE1 PHE 74 HE1 PHE 74 4.839 6.164 -11.298 547 HE2 PHE 74 HE2 PHE 74 3.494 7.469 -7.467 548 HZ PHE 74 HZ PHE 74 4.407 7.985 -9.696 549 H HIS 75 H HIS 75 1.909 0.867 -10.089 550 HA HIS 75 HA HIS 75 1.203 2.474 -12.290 551 1HB HIS 75 2HB HIS 75 1.962 -0.214 -11.798 552 2HB HIS 75 1HB HIS 75 0.474 -0.247 -12.726 553 HD1 HIS 75 HD1 HIS 75 0.879 2.055 -14.668 554 HD2 HIS 75 HD2 HIS 75 3.874 -0.605 -13.604 555 HE1 HIS 75 HE1 HIS 75 2.614 2.178 -16.502 556 H LEU 76 H LEU 76 -0.704 0.049 -10.483 557 HA LEU 76 HA LEU 76 -3.115 0.375 -11.789 558 1HB LEU 76 2HB LEU 76 -2.408 -1.255 -9.905 559 2HB LEU 76 1HB LEU 76 -2.968 0.003 -8.815 560 HG LEU 76 HG LEU 76 -4.614 -1.439 -10.883 561 1HD1 LEU 76 1HD1 LEU 76 -4.545 -2.938 -9.172 562 2HD1 LEU 76 2HD1 LEU 76 -5.871 -1.924 -8.606 563 3HD1 LEU 76 3HD1 LEU 76 -4.249 -1.700 -7.951 564 1HD2 LEU 76 1HD2 LEU 76 -5.398 0.814 -10.776 565 2HD2 LEU 76 2HD2 LEU 76 -5.335 0.809 -9.013 566 3HD2 LEU 76 3HD2 LEU 76 -6.517 -0.192 -9.857 567 H VAL 77 H VAL 77 -1.889 2.140 -8.952 568 HA VAL 77 HA VAL 77 -4.077 3.797 -8.545 569 HB VAL 77 HB VAL 77 -1.156 4.481 -8.202 570 1HG1 VAL 77 1HG1 VAL 77 -2.611 5.887 -6.321 571 2HG1 VAL 77 2HG1 VAL 77 -3.573 6.040 -7.792 572 3HG1 VAL 77 3HG1 VAL 77 -1.883 6.549 -7.785 573 1HG2 VAL 77 1HG2 VAL 77 -1.291 3.622 -6.047 574 2HG2 VAL 77 2HG2 VAL 77 -2.217 2.460 -6.995 575 3HG2 VAL 77 3HG2 VAL 77 -3.053 3.676 -6.028 576 H VAL 78 H VAL 78 -1.471 4.047 -10.860 577 HA VAL 78 HA VAL 78 -2.059 6.646 -11.826 578 HB VAL 78 HB VAL 78 -0.744 4.292 -13.175 579 1HG1 VAL 78 1HG1 VAL 78 -1.111 7.140 -14.048 580 2HG1 VAL 78 2HG1 VAL 78 -1.401 5.654 -14.954 581 3HG1 VAL 78 3HG1 VAL 78 0.251 6.176 -14.620 582 1HG2 VAL 78 1HG2 VAL 78 0.134 6.179 -11.187 583 2HG2 VAL 78 2HG2 VAL 78 1.119 6.300 -12.646 584 3HG2 VAL 78 3HG2 VAL 78 0.951 4.751 -11.820 585 H ALA 79 H ALA 79 -2.894 3.415 -13.038 586 HA ALA 79 HA ALA 79 -4.462 4.350 -15.200 587 1HB ALA 79 1HB ALA 79 -4.363 1.667 -13.848 588 2HB ALA 79 2HB ALA 79 -3.517 2.170 -15.311 589 3HB ALA 79 3HB ALA 79 -5.273 2.001 -15.322 590 H ARG 80 H ARG 80 -5.396 3.316 -11.907 591 HA ARG 80 HA ARG 80 -8.105 3.136 -12.204 592 1HB ARG 80 2HB ARG 80 -7.260 2.697 -10.039 593 2HB ARG 80 1HB ARG 80 -6.519 4.287 -9.911 594 1HG ARG 80 2HG ARG 80 -8.416 5.243 -9.168 595 2HG ARG 80 1HG ARG 80 -9.428 4.336 -10.293 596 1HD ARG 80 2HD ARG 80 -8.278 3.304 -7.693 597 2HD ARG 80 1HD ARG 80 -9.968 3.742 -7.998 598 HE ARG 80 HE ARG 80 -9.045 1.819 -9.866 599 1HH1 ARG 80 2HH1 ARG 80 -9.995 2.084 -6.561 600 2HH1 ARG 80 1HH1 ARG 80 -10.643 0.488 -6.520 601 1HH2 ARG 80 1HH2 ARG 80 -9.888 -0.244 -9.767 602 2HH2 ARG 80 2HH2 ARG 80 -10.650 -0.783 -8.312 603 H LYS 81 H LYS 81 -6.189 6.073 -12.132 604 HA LYS 81 HA LYS 81 -8.190 7.968 -11.838 605 1HB LYS 81 2HB LYS 81 -5.689 8.089 -13.513 606 2HB LYS 81 1HB LYS 81 -6.689 9.481 -13.118 607 1HG LYS 81 2HG LYS 81 -6.273 9.034 -10.714 608 2HG LYS 81 1HG LYS 81 -5.164 7.743 -11.192 609 1HD LYS 81 2HD LYS 81 -3.824 9.374 -12.440 610 2HD LYS 81 1HD LYS 81 -4.926 10.655 -11.938 611 1HE LYS 81 2HE LYS 81 -4.348 10.174 -9.580 612 2HE LYS 81 1HE LYS 81 -3.182 8.973 -10.142 613 1HZ LYS 81 1HZ LYS 81 -2.309 10.974 -11.536 614 2HZ LYS 81 2HZ LYS 81 -1.853 10.805 -9.915 615 3HZ LYS 81 3HZ LYS 81 -3.071 11.901 -10.341 616 H ASN 82 H ASN 82 -7.340 6.062 -14.652 617 HA ASN 82 HA ASN 82 -8.552 7.457 -16.695 618 1HB ASN 82 2HB ASN 82 -8.443 4.477 -16.195 619 2HB ASN 82 1HB ASN 82 -9.001 5.190 -17.709 620 1HD2 ASN 82 1HD2 ASN 82 -7.509 5.204 -19.213 621 2HD2 ASN 82 2HD2 ASN 82 -5.812 5.395 -18.969 622 H GLY 83 H GLY 83 -10.041 5.903 -13.988 623 1HA GLY 83 2HA GLY 83 -12.264 6.561 -13.346 624 2HA GLY 83 1HA GLY 83 -12.668 6.708 -15.047 625 H TYR 84 H TYR 84 -12.432 4.519 -16.284 626 HA TYR 84 HA TYR 84 -14.162 2.681 -14.911 627 1HB TYR 84 2HB TYR 84 -13.236 3.041 -17.673 628 2HB TYR 84 1HB TYR 84 -13.502 1.362 -17.203 629 HD1 TYR 84 HD1 TYR 84 -15.092 4.616 -17.763 630 HD2 TYR 84 HD2 TYR 84 -15.707 0.569 -16.604 631 HE1 TYR 84 HE1 TYR 84 -17.522 4.920 -18.004 632 HE2 TYR 84 HE2 TYR 84 -18.136 0.857 -16.848 633 HH TYR 84 HH TYR 84 -19.561 3.208 -18.484 634 H ASP 85 H ASP 85 -11.804 2.825 -13.528 635 HA ASP 85 HA ASP 85 -10.034 0.680 -14.192 636 1HB ASP 85 2HB ASP 85 -9.440 2.675 -12.780 637 2HB ASP 85 1HB ASP 85 -10.428 1.978 -11.495 638 H LEU 86 H LEU 86 -9.662 -1.158 -12.594 639 HA LEU 86 HA LEU 86 -11.631 -2.983 -12.548 640 1HB LEU 86 2HB LEU 86 -9.623 -2.520 -10.350 641 2HB LEU 86 1HB LEU 86 -10.581 -3.978 -10.529 642 HG LEU 86 HG LEU 86 -8.565 -2.962 -12.531 643 1HD1 LEU 86 1HD1 LEU 86 -8.296 -4.504 -10.125 644 2HD1 LEU 86 2HD1 LEU 86 -7.049 -3.946 -11.241 645 3HD1 LEU 86 3HD1 LEU 86 -7.865 -5.484 -11.528 646 1HD2 LEU 86 1HD2 LEU 86 -9.254 -4.551 -13.962 647 2HD2 LEU 86 2HD2 LEU 86 -10.754 -4.514 -13.035 648 3HD2 LEU 86 3HD2 LEU 86 -9.526 -5.728 -12.678 649 HA PRO 87 HA PRO 87 -14.811 -1.232 -9.931 650 1HB PRO 87 2HB PRO 87 -16.515 -3.335 -10.038 651 2HB PRO 87 1HB PRO 87 -16.309 -2.205 -11.383 652 1HG PRO 87 2HG PRO 87 -15.111 -4.922 -10.988 653 2HG PRO 87 1HG PRO 87 -15.815 -4.211 -12.452 654 1HD PRO 87 2HD PRO 87 -13.140 -4.337 -12.023 655 2HD PRO 87 1HD PRO 87 -13.901 -3.029 -12.950 656 H GLU 88 H GLU 88 -12.608 -2.206 -8.514 657 HA GLU 88 HA GLU 88 -11.964 -3.097 -6.545 658 1HB GLU 88 2HB GLU 88 -14.873 -2.789 -5.803 659 2HB GLU 88 1HB GLU 88 -13.497 -2.851 -4.702 660 1HG GLU 88 2HG GLU 88 -14.318 -0.668 -6.562 661 2HG GLU 88 1HG GLU 88 -13.929 -0.596 -4.840 662 H LYS 89 H LYS 89 -13.570 -4.748 -4.727 663 HA LYS 89 HA LYS 89 -13.855 -6.983 -4.330 664 1HB LYS 89 2HB LYS 89 -15.273 -6.482 -6.846 665 2HB LYS 89 1HB LYS 89 -14.756 -8.140 -6.650 666 1HG LYS 89 2HG LYS 89 -17.024 -7.811 -5.835 667 2HG LYS 89 1HG LYS 89 -15.928 -8.313 -4.550 668 1HD LYS 89 2HD LYS 89 -17.279 -6.629 -3.622 669 2HD LYS 89 1HD LYS 89 -15.724 -5.863 -3.940 670 1HE LYS 89 2HE LYS 89 -18.259 -5.619 -5.565 671 2HE LYS 89 1HE LYS 89 -17.517 -4.372 -4.568 672 1HZ LYS 89 1HZ LYS 89 -17.186 -4.377 -7.131 673 2HZ LYS 89 2HZ LYS 89 -15.982 -5.499 -6.803 674 3HZ LYS 89 3HZ LYS 89 -15.900 -3.965 -6.121 675 H LEU 90 H LEU 90 -11.834 -7.833 -4.096 676 HA LEU 90 HA LEU 90 -9.799 -8.064 -5.863 677 1HB LEU 90 2HB LEU 90 -10.556 -9.292 -3.426 678 2HB LEU 90 1HB LEU 90 -10.002 -10.567 -4.498 679 HG LEU 90 HG LEU 90 -7.876 -9.403 -4.812 680 1HD1 LEU 90 1HD1 LEU 90 -7.327 -7.392 -3.668 681 2HD1 LEU 90 2HD1 LEU 90 -8.838 -7.422 -2.760 682 3HD1 LEU 90 3HD1 LEU 90 -8.858 -7.114 -4.497 683 1HD2 LEU 90 1HD2 LEU 90 -7.950 -9.304 -1.905 684 2HD2 LEU 90 2HD2 LEU 90 -7.051 -10.378 -2.979 685 3HD2 LEU 90 3HD2 LEU 90 -8.723 -10.748 -2.559 686 HA PRO 91 HA PRO 91 -11.450 -10.451 -9.252 687 1HB PRO 91 2HB PRO 91 -9.017 -11.070 -10.377 688 2HB PRO 91 1HB PRO 91 -9.873 -9.546 -10.632 689 1HG PRO 91 2HG PRO 91 -7.632 -10.169 -8.750 690 2HG PRO 91 1HG PRO 91 -7.885 -8.731 -9.756 691 1HD PRO 91 2HD PRO 91 -8.422 -8.718 -7.126 692 2HD PRO 91 1HD PRO 91 -9.429 -7.820 -8.284 693 H GLU 92 H GLU 92 -8.522 -11.655 -7.659 694 HA GLU 92 HA GLU 92 -9.594 -14.382 -7.880 695 1HB GLU 92 2HB GLU 92 -6.735 -13.472 -7.505 696 2HB GLU 92 1HB GLU 92 -7.264 -15.147 -7.610 697 1HG GLU 92 2HG GLU 92 -8.074 -14.759 -9.877 698 2HG GLU 92 1HG GLU 92 -7.562 -13.075 -9.776 699 H SER 93 H SER 93 -9.046 -15.848 -6.026 700 HA SER 93 HA SER 93 -9.539 -14.381 -3.543 701 1HB SER 93 2HB SER 93 -9.859 -17.301 -4.255 702 2HB SER 93 1HB SER 93 -10.117 -16.660 -2.632 703 HG SER 93 HG SER 93 -11.931 -16.840 -4.374 704 H LEU 94 H LEU 94 -7.974 -13.993 -2.175 705 HA LEU 94 HA LEU 94 -5.871 -15.977 -1.738 706 1HB LEU 94 2HB LEU 94 -5.313 -13.050 -2.243 707 2HB LEU 94 1HB LEU 94 -4.126 -14.238 -1.744 708 HG LEU 94 HG LEU 94 -4.599 -15.474 -3.893 709 1HD1 LEU 94 1HD1 LEU 94 -6.538 -13.316 -4.117 710 2HD1 LEU 94 2HD1 LEU 94 -6.442 -14.850 -4.982 711 3HD1 LEU 94 3HD1 LEU 94 -5.504 -13.463 -5.539 712 1HD2 LEU 94 1HD2 LEU 94 -2.630 -14.037 -3.573 713 2HD2 LEU 94 2HD2 LEU 94 -3.559 -12.652 -4.149 714 3HD2 LEU 94 3HD2 LEU 94 -3.213 -13.997 -5.236 715 H MET 95 H MET 95 -6.979 -12.738 -0.720 716 HA MET 95 HA MET 95 -6.065 -12.963 1.939 717 1HB MET 95 2HB MET 95 -7.615 -11.082 0.371 718 2HB MET 95 1HB MET 95 -8.248 -11.231 2.006 719 1HG MET 95 2HG MET 95 -5.401 -10.588 1.275 720 2HG MET 95 1HG MET 95 -6.616 -9.438 1.831 721 1HE MET 95 1HE MET 95 -3.696 -9.998 4.247 722 2HE MET 95 2HE MET 95 -4.984 -8.862 4.653 723 3HE MET 95 3HE MET 95 -4.425 -9.006 2.988 724 HA PRO 96 HA PRO 96 -10.462 -14.443 3.039 725 1HB PRO 96 2HB PRO 96 -12.242 -14.979 1.119 726 2HB PRO 96 1HB PRO 96 -11.928 -13.320 1.641 727 1HG PRO 96 2HG PRO 96 -10.985 -14.750 -0.800 728 2HG PRO 96 1HG PRO 96 -11.479 -13.059 -0.610 729 1HD PRO 96 2HD PRO 96 -8.849 -13.996 -0.652 730 2HD PRO 96 1HD PRO 96 -9.374 -12.413 -0.048 731 H LYS 97 HN LYS 97 -12.084 -16.501 2.084 732 HA LYS 97 HA LYS 97 -10.269 -18.628 1.225 733 1HB LYS 97 2HB LYS 97 -11.923 -18.697 3.752 734 2HB LYS 97 1HB LYS 97 -11.145 -20.106 3.041 735 1HG LYS 97 2HG LYS 97 -9.026 -19.385 3.586 736 2HG LYS 97 1HG LYS 97 -9.513 -17.690 3.675 737 1HD LYS 97 2HD LYS 97 -10.404 -19.811 5.627 738 2HD LYS 97 1HD LYS 97 -9.031 -18.731 5.894 739 1HE LYS 97 2HE LYS 97 -10.442 -16.807 5.862 740 2HE LYS 97 1HE LYS 97 -11.824 -17.758 5.318 741 1HZ LYS 97 1HZ LYS 97 -11.731 -18.957 7.452 742 2HZ LYS 97 2HZ LYS 97 -12.030 -17.302 7.648 743 3HZ LYS 97 3HZ LYS 97 -10.490 -17.924 7.967 Start of MODEL 18 1 1H TRP 6 1H TRP 6 -0.732 -5.004 -21.188 2 2H TRP 6 2H TRP 6 -2.265 -4.420 -20.779 3 3H TRP 6 3H TRP 6 -1.822 -5.999 -20.359 4 HA TRP 6 HA TRP 6 -0.928 -3.444 -19.199 5 1HB TRP 6 2HB TRP 6 -2.238 -5.968 -18.258 6 2HB TRP 6 1HB TRP 6 -1.320 -4.993 -17.116 7 HD1 TRP 6 HD1 TRP 6 -4.230 -4.421 -19.646 8 HE1 TRP 6 HE1 TRP 6 -5.853 -2.726 -18.584 9 HE3 TRP 6 HE3 TRP 6 -1.667 -3.436 -15.336 10 HZ2 TRP 6 HZ2 TRP 6 -6.015 -1.166 -16.224 11 HZ3 TRP 6 HZ3 TRP 6 -2.613 -1.830 -13.734 12 HH2 TRP 6 HH2 TRP 6 -4.738 -0.717 -14.165 13 H LYS 7 H LYS 7 1.069 -3.171 -18.488 14 HA LYS 7 HA LYS 7 2.735 -4.993 -17.289 15 1HB LYS 7 2HB LYS 7 2.691 -6.033 -19.646 16 2HB LYS 7 1HB LYS 7 3.686 -4.663 -20.127 17 1HG LYS 7 2HG LYS 7 5.413 -5.287 -18.601 18 2HG LYS 7 1HG LYS 7 4.399 -6.540 -17.883 19 1HD LYS 7 2HD LYS 7 4.333 -7.506 -20.293 20 2HD LYS 7 1HD LYS 7 5.752 -6.489 -20.556 21 1HE LYS 7 2HE LYS 7 6.842 -7.568 -18.616 22 2HE LYS 7 1HE LYS 7 5.442 -8.622 -18.444 23 1HZ LYS 7 1HZ LYS 7 7.098 -8.494 -20.901 24 2HZ LYS 7 2HZ LYS 7 5.900 -9.628 -20.529 25 3HZ LYS 7 3HZ LYS 7 7.350 -9.617 -19.659 26 H ILE 8 H ILE 8 3.918 -3.693 -16.117 27 HA ILE 8 HA ILE 8 4.164 -0.951 -16.484 28 HB ILE 8 HB ILE 8 6.036 -2.696 -14.894 29 1HG1 ILE 8 2HG1 ILE 8 3.481 -1.387 -13.951 30 2HG1 ILE 8 1HG1 ILE 8 3.584 -3.082 -14.426 31 1HG2 ILE 8 1HG2 ILE 8 6.727 -0.346 -15.221 32 2HG2 ILE 8 2HG2 ILE 8 6.384 -0.740 -13.536 33 3HG2 ILE 8 3HG2 ILE 8 5.208 0.172 -14.485 34 1HD1 ILE 8 1HD1 ILE 8 4.444 -3.661 -12.465 35 2HD1 ILE 8 2HD1 ILE 8 4.006 -2.046 -11.910 36 3HD1 ILE 8 3HD1 ILE 8 5.632 -2.358 -12.514 37 H THR 9 H THR 9 5.493 0.350 -17.573 38 HA THR 9 HA THR 9 7.684 -0.774 -19.138 39 HB THR 9 HB THR 9 7.196 2.178 -19.048 40 HG1 THR 9 HG1 THR 9 5.140 1.841 -19.523 41 1HG2 THR 9 1HG2 THR 9 8.856 1.665 -20.561 42 2HG2 THR 9 2HG2 THR 9 7.436 1.647 -21.609 43 3HG2 THR 9 3HG2 THR 9 8.118 0.131 -21.017 44 H ASP 10 H ASP 10 9.886 -0.245 -18.797 45 HA ASP 10 HA ASP 10 10.712 0.097 -16.172 46 1HB ASP 10 2HB ASP 10 12.071 -0.682 -18.232 47 2HB ASP 10 1HB ASP 10 12.437 1.029 -18.440 48 H GLU 11 H GLU 11 10.441 2.591 -18.738 49 HA GLU 11 HA GLU 11 11.504 4.750 -17.448 50 1HB GLU 11 2HB GLU 11 9.184 4.450 -19.332 51 2HB GLU 11 1HB GLU 11 9.562 6.015 -18.655 52 1HG GLU 11 2HG GLU 11 10.587 5.869 -20.792 53 2HG GLU 11 1HG GLU 11 11.860 5.810 -19.575 54 H GLN 12 H GLN 12 8.102 3.695 -17.262 55 HA GLN 12 HA GLN 12 7.315 5.498 -15.267 56 1HB GLN 12 2HB GLN 12 6.271 3.015 -16.478 57 2HB GLN 12 1HB GLN 12 5.704 3.346 -14.853 58 1HG GLN 12 2HG GLN 12 4.291 4.882 -15.577 59 2HG GLN 12 1HG GLN 12 5.575 5.725 -16.447 60 1HE2 GLN 12 1HE2 GLN 12 5.008 6.027 -18.464 61 2HE2 GLN 12 2HE2 GLN 12 4.203 4.886 -19.481 62 H ARG 13 H ARG 13 8.722 2.243 -15.149 63 HA ARG 13 HA ARG 13 8.480 1.773 -12.407 64 1HB ARG 13 2HB ARG 13 9.242 -0.037 -13.754 65 2HB ARG 13 1HB ARG 13 10.603 0.905 -14.369 66 1HG ARG 13 2HG ARG 13 11.573 0.941 -12.117 67 2HG ARG 13 1HG ARG 13 10.227 -0.031 -11.536 68 1HD ARG 13 2HD ARG 13 10.900 -1.911 -12.771 69 2HD ARG 13 1HD ARG 13 11.995 -0.955 -13.775 70 HE ARG 13 HE ARG 13 12.526 -1.954 -11.111 71 1HH1 ARG 13 2HH1 ARG 13 13.450 0.087 -13.738 72 2HH1 ARG 13 1HH1 ARG 13 14.985 0.483 -13.043 73 1HH2 ARG 13 1HH2 ARG 13 14.538 -1.349 -10.153 74 2HH2 ARG 13 2HH2 ARG 13 15.585 -0.315 -11.058 75 H GLN 14 H GLN 14 11.197 3.334 -14.146 76 HA GLN 14 HA GLN 14 12.622 3.901 -11.770 77 1HB GLN 14 2HB GLN 14 12.990 4.215 -14.569 78 2HB GLN 14 1HB GLN 14 13.261 5.772 -13.814 79 1HG GLN 14 2HG GLN 14 14.831 4.650 -12.229 80 2HG GLN 14 1HG GLN 14 14.635 3.178 -13.180 81 1HE2 GLN 14 1HE2 GLN 14 16.493 5.856 -12.724 82 2HE2 GLN 14 2HE2 GLN 14 17.313 5.883 -14.243 83 H TYR 15 H TYR 15 10.334 5.754 -13.738 84 HA TYR 15 HA TYR 15 10.519 8.256 -12.599 85 1HB TYR 15 2HB TYR 15 8.996 7.687 -14.456 86 2HB TYR 15 1HB TYR 15 7.969 6.797 -13.337 87 HD1 TYR 15 HD1 TYR 15 6.041 7.879 -12.736 88 HD2 TYR 15 HD2 TYR 15 9.525 10.202 -13.487 89 HE1 TYR 15 HE1 TYR 15 4.766 9.925 -12.270 90 HE2 TYR 15 HE2 TYR 15 8.256 12.259 -13.018 91 HH TYR 15 HH TYR 15 6.094 13.098 -12.830 92 H TYR 16 H TYR 16 8.670 5.480 -11.399 93 HA TYR 16 HA TYR 16 7.531 6.729 -9.150 94 1HB TYR 16 2HB TYR 16 8.323 3.824 -9.465 95 2HB TYR 16 1HB TYR 16 7.148 4.462 -8.322 96 HD1 TYR 16 HD1 TYR 16 6.547 6.382 -11.071 97 HD2 TYR 16 HD2 TYR 16 6.167 2.337 -9.809 98 HE1 TYR 16 HE1 TYR 16 4.779 6.030 -12.746 99 HE2 TYR 16 HE2 TYR 16 4.399 1.972 -11.477 100 HH TYR 16 HH TYR 16 2.708 4.290 -12.899 101 H VAL 17 H VAL 17 10.377 4.592 -9.347 102 HA VAL 17 HA VAL 17 11.192 4.740 -6.708 103 HB VAL 17 HB VAL 17 12.987 4.557 -9.134 104 1HG1 VAL 17 1HG1 VAL 17 13.661 4.811 -6.436 105 2HG1 VAL 17 2HG1 VAL 17 14.713 4.309 -7.760 106 3HG1 VAL 17 3HG1 VAL 17 13.854 3.098 -6.808 107 1HG2 VAL 17 1HG2 VAL 17 12.335 2.124 -7.642 108 2HG2 VAL 17 2HG2 VAL 17 12.409 2.407 -9.381 109 3HG2 VAL 17 3HG2 VAL 17 10.963 2.857 -8.475 110 H ASN 18 H ASN 18 11.799 6.988 -9.359 111 HA ASN 18 HA ASN 18 13.779 8.586 -8.405 112 1HB ASN 18 2HB ASN 18 11.648 8.873 -10.257 113 2HB ASN 18 1HB ASN 18 11.677 10.326 -9.262 114 1HD2 ASN 18 1HD2 ASN 18 13.083 11.845 -9.740 115 2HD2 ASN 18 2HD2 ASN 18 14.422 11.667 -10.817 116 H GLN 19 H GLN 19 10.462 8.428 -7.253 117 HA GLN 19 HA GLN 19 11.127 10.406 -5.174 118 1HB GLN 19 2HB GLN 19 8.464 9.479 -6.249 119 2HB GLN 19 1HB GLN 19 8.631 10.508 -4.831 120 1HG GLN 19 2HG GLN 19 10.160 11.700 -6.858 121 2HG GLN 19 1HG GLN 19 8.627 11.221 -7.591 122 1HE2 GLN 19 1HE2 GLN 19 10.138 13.685 -6.115 123 2HE2 GLN 19 2HE2 GLN 19 8.781 14.505 -5.432 124 H PHE 20 H PHE 20 9.287 7.346 -5.549 125 HA PHE 20 HA PHE 20 8.909 6.825 -2.867 126 1HB PHE 20 2HB PHE 20 8.624 5.385 -5.267 127 2HB PHE 20 1HB PHE 20 9.483 4.347 -4.126 128 HD1 PHE 20 HD1 PHE 20 6.644 6.769 -4.069 129 HD2 PHE 20 HD2 PHE 20 8.169 3.003 -2.807 130 HE1 PHE 20 HE1 PHE 20 4.536 6.317 -2.884 131 HE2 PHE 20 HE2 PHE 20 6.060 2.541 -1.625 132 HZ PHE 20 HZ PHE 20 4.248 4.204 -1.664 133 H LYS 21 H LYS 21 11.834 6.679 -4.691 134 HA LYS 21 HA LYS 21 13.453 4.915 -3.405 135 1HB LYS 21 2HB LYS 21 15.316 6.557 -3.759 136 2HB LYS 21 1HB LYS 21 14.329 6.260 -5.184 137 1HG LYS 21 2HG LYS 21 13.196 8.338 -4.932 138 2HG LYS 21 1HG LYS 21 13.914 8.602 -3.343 139 1HD LYS 21 2HD LYS 21 15.733 8.245 -5.674 140 2HD LYS 21 1HD LYS 21 14.872 9.780 -5.513 141 1HE LYS 21 2HE LYS 21 15.746 9.947 -3.183 142 2HE LYS 21 1HE LYS 21 16.707 8.497 -3.485 143 1HZ LYS 21 1HZ LYS 21 17.898 9.650 -5.214 144 2HZ LYS 21 2HZ LYS 21 17.966 10.571 -3.795 145 3HZ LYS 21 3HZ LYS 21 16.918 11.023 -5.046 146 H THR 22 H THR 22 12.321 8.020 -2.166 147 HA THR 22 HA THR 22 13.989 8.367 0.003 148 HB THR 22 HB THR 22 11.006 8.876 -0.012 149 HG1 THR 22 HG1 THR 22 13.180 10.604 -0.680 150 1HG2 THR 22 1HG2 THR 22 11.869 8.979 2.236 151 2HG2 THR 22 2HG2 THR 22 11.593 10.625 1.666 152 3HG2 THR 22 3HG2 THR 22 13.231 9.972 1.711 153 H ILE 23 H ILE 23 11.309 6.121 -0.359 154 HA ILE 23 HA ILE 23 11.882 5.101 2.347 155 HB ILE 23 HB ILE 23 9.371 4.505 0.797 156 1HG1 ILE 23 2HG1 ILE 23 8.371 6.201 2.500 157 2HG1 ILE 23 1HG1 ILE 23 10.014 6.825 2.602 158 1HG2 ILE 23 1HG2 ILE 23 8.610 3.494 2.695 159 2HG2 ILE 23 2HG2 ILE 23 9.564 4.529 3.759 160 3HG2 ILE 23 3HG2 ILE 23 10.340 3.205 2.889 161 1HD1 ILE 23 1HD1 ILE 23 8.585 6.531 -0.019 162 2HD1 ILE 23 2HD1 ILE 23 10.004 7.511 0.364 163 3HD1 ILE 23 3HD1 ILE 23 8.418 7.965 0.993 164 H GLN 24 H GLN 24 10.836 3.924 -0.883 165 HA GLN 24 HA GLN 24 12.471 1.513 -0.416 166 1HB GLN 24 2HB GLN 24 9.710 1.586 -0.356 167 2HB GLN 24 1HB GLN 24 10.066 1.100 -2.005 168 1HG GLN 24 2HG GLN 24 9.753 -0.857 -0.681 169 2HG GLN 24 1HG GLN 24 11.462 -0.743 -1.109 170 1HE2 GLN 24 1HE2 GLN 24 9.239 -1.102 1.393 171 2HE2 GLN 24 2HE2 GLN 24 10.326 -0.888 2.724 172 HA PRO 25 HA PRO 25 13.538 3.495 -4.507 173 1HB PRO 25 2HB PRO 25 16.124 2.544 -4.446 174 2HB PRO 25 1HB PRO 25 15.616 4.115 -3.819 175 1HG PRO 25 2HG PRO 25 16.090 1.551 -2.355 176 2HG PRO 25 1HG PRO 25 16.519 3.207 -1.885 177 1HD PRO 25 2HD PRO 25 14.396 1.951 -0.827 178 2HD PRO 25 1HD PRO 25 14.369 3.694 -1.169 179 H ASP 26 H ASP 26 15.247 0.461 -3.703 180 HA ASP 26 HA ASP 26 13.729 -1.059 -5.630 181 1HB ASP 26 2HB ASP 26 15.496 0.312 -6.863 182 2HB ASP 26 1HB ASP 26 16.684 -0.736 -6.105 183 H LEU 27 H LEU 27 14.660 -1.076 -2.723 184 HA LEU 27 HA LEU 27 16.267 -3.496 -2.612 185 1HB LEU 27 2HB LEU 27 16.306 -3.184 -0.227 186 2HB LEU 27 1HB LEU 27 16.676 -1.664 -1.016 187 HG LEU 27 HG LEU 27 13.830 -2.029 -0.366 188 1HD1 LEU 27 1HD1 LEU 27 15.937 -1.935 1.775 189 2HD1 LEU 27 2HD1 LEU 27 14.597 -3.068 1.606 190 3HD1 LEU 27 3HD1 LEU 27 14.282 -1.387 2.037 191 1HD2 LEU 27 1HD2 LEU 27 15.525 0.042 -1.026 192 2HD2 LEU 27 2HD2 LEU 27 15.250 0.265 0.702 193 3HD2 LEU 27 3HD2 LEU 27 13.880 0.196 -0.406 194 H ASN 28 H ASN 28 15.113 -4.478 -0.169 195 HA ASN 28 HA ASN 28 12.647 -5.709 -1.215 196 1HB ASN 28 2HB ASN 28 14.716 -7.172 -0.945 197 2HB ASN 28 1HB ASN 28 14.537 -6.940 0.790 198 1HD2 ASN 28 1HD2 ASN 28 13.961 -9.009 -1.589 199 2HD2 ASN 28 2HD2 ASN 28 12.582 -9.834 -0.965 200 H GLY 29 H GLY 29 12.417 -3.337 0.078 201 1HA GLY 29 2HA GLY 29 11.761 -3.940 2.866 202 2HA GLY 29 1HA GLY 29 11.870 -2.336 2.158 203 H PHE 30 H PHE 30 9.745 -4.005 3.665 204 HA PHE 30 HA PHE 30 7.553 -3.666 1.743 205 1HB PHE 30 2HB PHE 30 7.203 -4.982 4.412 206 2HB PHE 30 1HB PHE 30 6.342 -5.272 2.903 207 HD1 PHE 30 HD1 PHE 30 9.612 -5.738 4.575 208 HD2 PHE 30 HD2 PHE 30 6.989 -7.004 1.473 209 HE1 PHE 30 HE1 PHE 30 11.098 -7.641 4.104 210 HE2 PHE 30 HE2 PHE 30 8.468 -8.911 0.998 211 HZ PHE 30 HZ PHE 30 10.525 -9.231 2.313 212 H ILE 31 H ILE 31 6.389 -1.904 1.903 213 HA ILE 31 HA ILE 31 6.530 -0.214 4.245 214 HB ILE 31 HB ILE 31 5.378 0.105 1.491 215 1HG1 ILE 31 2HG1 ILE 31 7.269 1.890 3.012 216 2HG1 ILE 31 1HG1 ILE 31 7.834 0.499 2.089 217 1HG2 ILE 31 1HG2 ILE 31 4.546 2.306 2.112 218 2HG2 ILE 31 2HG2 ILE 31 5.003 2.015 3.790 219 3HG2 ILE 31 3HG2 ILE 31 3.738 1.043 3.040 220 1HD1 ILE 31 1HD1 ILE 31 6.116 2.554 0.774 221 2HD1 ILE 31 2HD1 ILE 31 7.314 1.471 0.062 222 3HD1 ILE 31 3HD1 ILE 31 7.836 2.860 1.019 223 HA PRO 32 HA PRO 32 2.805 -1.953 5.981 224 1HB PRO 32 2HB PRO 32 2.412 0.069 7.811 225 2HB PRO 32 1HB PRO 32 3.479 -1.315 8.069 226 1HG PRO 32 2HG PRO 32 4.151 1.468 7.213 227 2HG PRO 32 1HG PRO 32 5.026 0.388 8.315 228 1HD PRO 32 2HD PRO 32 5.821 0.791 5.769 229 2HD PRO 32 1HD PRO 32 6.024 -0.775 6.584 230 H GLY 33 H GLY 33 0.614 -1.594 5.694 231 1HA GLY 33 2HA GLY 33 -0.314 0.002 3.673 232 2HA GLY 33 1HA GLY 33 -1.321 -0.506 5.022 233 H SER 34 H SER 34 0.394 0.924 6.937 234 HA SER 34 HA SER 34 -0.995 3.325 7.162 235 1HB SER 34 2HB SER 34 0.065 2.523 9.118 236 2HB SER 34 1HB SER 34 1.630 2.384 8.314 237 HG SER 34 HG SER 34 2.011 4.344 8.961 238 H ALA 35 H ALA 35 2.301 2.774 5.858 239 HA ALA 35 HA ALA 35 2.602 5.541 5.155 240 1HB ALA 35 1HB ALA 35 4.698 4.810 5.384 241 2HB ALA 35 2HB ALA 35 4.525 4.208 3.736 242 3HB ALA 35 3HB ALA 35 4.241 3.131 5.105 243 H ALA 36 H ALA 36 1.902 2.548 3.381 244 HA ALA 36 HA ALA 36 1.935 3.654 0.797 245 1HB ALA 36 1HB ALA 36 1.884 1.402 0.618 246 2HB ALA 36 2HB ALA 36 0.146 1.676 0.500 247 3HB ALA 36 3HB ALA 36 0.860 1.204 2.041 248 H LYS 37 H LYS 37 -0.840 3.069 2.973 249 HA LYS 37 HA LYS 37 -2.842 4.124 1.374 250 1HB LYS 37 2HB LYS 37 -2.518 3.350 4.113 251 2HB LYS 37 1HB LYS 37 -3.386 4.870 4.054 252 1HG LYS 37 2HG LYS 37 -5.047 3.238 4.034 253 2HG LYS 37 1HG LYS 37 -4.909 3.739 2.348 254 1HD LYS 37 2HD LYS 37 -3.457 1.794 1.918 255 2HD LYS 37 1HD LYS 37 -3.668 1.290 3.597 256 1HE LYS 37 2HE LYS 37 -6.156 1.274 3.142 257 2HE LYS 37 1HE LYS 37 -5.751 1.452 1.435 258 1HZ LYS 37 1HZ LYS 37 -5.750 -0.771 1.488 259 2HZ LYS 37 2HZ LYS 37 -5.505 -0.857 3.161 260 3HZ LYS 37 3HZ LYS 37 -4.192 -0.594 2.127 261 H GLU 38 H GLU 38 -0.929 5.803 3.893 262 HA GLU 38 HA GLU 38 -2.030 8.332 3.460 263 1HB GLU 38 2HB GLU 38 0.472 7.298 4.703 264 2HB GLU 38 1HB GLU 38 0.301 9.018 4.436 265 1HG GLU 38 2HG GLU 38 -1.867 8.900 5.697 266 2HG GLU 38 1HG GLU 38 -1.437 7.239 6.113 267 H PHE 39 H PHE 39 1.088 7.025 2.257 268 HA PHE 39 HA PHE 39 1.908 9.198 0.789 269 1HB PHE 39 2HB PHE 39 2.677 6.537 1.082 270 2HB PHE 39 1HB PHE 39 2.399 6.723 -0.632 271 HD1 PHE 39 HD1 PHE 39 3.988 7.709 -1.996 272 HD2 PHE 39 HD2 PHE 39 4.198 8.244 2.219 273 HE1 PHE 39 HE1 PHE 39 6.191 8.771 -2.245 274 HE2 PHE 39 HE2 PHE 39 6.403 9.307 1.980 275 HZ PHE 39 HZ PHE 39 7.401 9.573 -0.256 276 H PHE 40 H PHE 40 -0.037 6.454 -0.418 277 HA PHE 40 HA PHE 40 -0.475 7.410 -2.991 278 1HB PHE 40 2HB PHE 40 -2.052 5.607 -1.192 279 2HB PHE 40 1HB PHE 40 -2.716 6.094 -2.744 280 HD1 PHE 40 HD1 PHE 40 -1.069 5.802 -4.773 281 HD2 PHE 40 HD2 PHE 40 -0.807 3.675 -1.099 282 HE1 PHE 40 HE1 PHE 40 0.203 4.027 -5.900 283 HE2 PHE 40 HE2 PHE 40 0.472 1.895 -2.219 284 HZ PHE 40 HZ PHE 40 0.978 2.071 -4.623 285 H THR 41 H THR 41 -2.070 8.259 0.010 286 HA THR 41 HA THR 41 -4.385 9.460 -0.737 287 HB THR 41 HB THR 41 -2.385 10.663 1.193 288 HG1 THR 41 HG1 THR 41 -2.929 8.614 1.893 289 1HG2 THR 41 1HG2 THR 41 -4.478 11.595 2.248 290 2HG2 THR 41 2HG2 THR 41 -5.329 11.146 0.771 291 3HG2 THR 41 3HG2 THR 41 -4.016 12.323 0.710 292 H LYS 42 H LYS 42 -1.140 10.656 -1.370 293 HA LYS 42 HA LYS 42 -1.620 13.284 -1.991 294 1HB LYS 42 2HB LYS 42 0.408 11.345 -2.675 295 2HB LYS 42 1HB LYS 42 0.109 12.436 -4.024 296 1HG LYS 42 2HG LYS 42 0.211 14.157 -1.900 297 2HG LYS 42 1HG LYS 42 1.396 12.930 -1.451 298 1HD LYS 42 2HD LYS 42 1.476 13.939 -4.238 299 2HD LYS 42 1HD LYS 42 2.013 15.037 -2.966 300 1HE LYS 42 2HE LYS 42 3.034 12.218 -3.248 301 2HE LYS 42 1HE LYS 42 3.803 13.602 -4.026 302 1HZ LYS 42 1HZ LYS 42 4.430 14.499 -2.003 303 2HZ LYS 42 2HZ LYS 42 4.663 12.841 -1.749 304 3HZ LYS 42 3HZ LYS 42 3.292 13.609 -1.120 305 H SER 43 H SER 43 -2.351 10.469 -3.992 306 HA SER 43 HA SER 43 -3.047 11.933 -6.324 307 1HB SER 43 2HB SER 43 -3.904 9.173 -5.423 308 2HB SER 43 1HB SER 43 -4.205 9.836 -7.028 309 HG SER 43 HG SER 43 -2.224 9.392 -7.552 310 H LYS 44 H LYS 44 -4.379 12.467 -3.538 311 HA LYS 44 HA LYS 44 -6.388 13.124 -2.713 312 1HB LYS 44 2HB LYS 44 -5.941 14.808 -4.526 313 2HB LYS 44 1HB LYS 44 -6.994 13.869 -5.576 314 1HG LYS 44 2HG LYS 44 -8.877 14.273 -4.146 315 2HG LYS 44 1HG LYS 44 -7.848 15.055 -2.945 316 1HD LYS 44 2HD LYS 44 -7.280 16.782 -4.650 317 2HD LYS 44 1HD LYS 44 -8.459 16.037 -5.732 318 1HE LYS 44 2HE LYS 44 -10.241 16.475 -4.148 319 2HE LYS 44 1HE LYS 44 -9.084 17.125 -2.987 320 1HZ LYS 44 1HZ LYS 44 -8.871 19.058 -4.141 321 2HZ LYS 44 2HZ LYS 44 -10.459 18.677 -4.583 322 3HZ LYS 44 3HZ LYS 44 -9.186 18.347 -5.646 323 H LEU 45 H LEU 45 -6.215 10.360 -3.657 324 HA LEU 45 HA LEU 45 -8.889 9.743 -4.626 325 1HB LEU 45 2HB LEU 45 -6.332 8.351 -4.426 326 2HB LEU 45 1HB LEU 45 -7.689 7.354 -3.931 327 HG LEU 45 HG LEU 45 -8.779 7.768 -6.100 328 1HD1 LEU 45 1HD1 LEU 45 -6.386 9.505 -6.495 329 2HD1 LEU 45 2HD1 LEU 45 -8.078 9.808 -6.893 330 3HD1 LEU 45 3HD1 LEU 45 -7.123 8.703 -7.882 331 1HD2 LEU 45 1HD2 LEU 45 -6.083 6.524 -5.892 332 2HD2 LEU 45 2HD2 LEU 45 -6.836 6.653 -7.481 333 3HD2 LEU 45 3HD2 LEU 45 -7.654 5.779 -6.187 334 HA PRO 46 HA PRO 46 -10.539 9.125 -0.568 335 1HB PRO 46 2HB PRO 46 -12.641 7.524 -1.155 336 2HB PRO 46 1HB PRO 46 -12.617 9.247 -1.550 337 1HG PRO 46 2HG PRO 46 -12.059 6.892 -3.305 338 2HG PRO 46 1HG PRO 46 -13.004 8.349 -3.659 339 1HD PRO 46 2HD PRO 46 -10.444 8.007 -4.508 340 2HD PRO 46 1HD PRO 46 -11.127 9.602 -4.128 341 H ILE 47 H ILE 47 -9.783 7.850 0.990 342 HA ILE 47 HA ILE 47 -8.227 5.707 0.909 343 HB ILE 47 HB ILE 47 -8.959 6.767 3.004 344 1HG1 ILE 47 2HG1 ILE 47 -9.249 3.754 2.910 345 2HG1 ILE 47 1HG1 ILE 47 -7.760 4.664 3.151 346 1HG2 ILE 47 1HG2 ILE 47 -11.029 6.072 4.089 347 2HG2 ILE 47 2HG2 ILE 47 -11.452 5.102 2.677 348 3HG2 ILE 47 3HG2 ILE 47 -11.352 6.857 2.543 349 1HD1 ILE 47 1HD1 ILE 47 -8.574 3.739 5.238 350 2HD1 ILE 47 2HD1 ILE 47 -10.106 4.587 5.033 351 3HD1 ILE 47 3HD1 ILE 47 -8.617 5.501 5.276 352 H LEU 48 H LEU 48 -11.712 5.566 0.383 353 HA LEU 48 HA LEU 48 -12.239 2.885 0.583 354 1HB LEU 48 2HB LEU 48 -13.890 4.646 -0.004 355 2HB LEU 48 1HB LEU 48 -13.214 4.712 -1.620 356 HG LEU 48 HG LEU 48 -14.458 2.216 -0.464 357 1HD1 LEU 48 1HD1 LEU 48 -16.509 2.773 -1.385 358 2HD1 LEU 48 2HD1 LEU 48 -15.818 4.016 -2.429 359 3HD1 LEU 48 3HD1 LEU 48 -15.969 4.305 -0.696 360 1HD2 LEU 48 1HD2 LEU 48 -13.907 1.238 -2.384 361 2HD2 LEU 48 2HD2 LEU 48 -12.886 2.637 -2.719 362 3HD2 LEU 48 3HD2 LEU 48 -14.539 2.586 -3.328 363 H GLU 49 H GLU 49 -11.244 4.485 -2.482 364 HA GLU 49 HA GLU 49 -10.744 2.062 -3.836 365 1HB GLU 49 2HB GLU 49 -9.672 4.846 -4.341 366 2HB GLU 49 1HB GLU 49 -9.352 3.480 -5.406 367 1HG GLU 49 2HG GLU 49 -11.155 4.397 -6.454 368 2HG GLU 49 1HG GLU 49 -11.966 3.258 -5.378 369 H LEU 50 H LEU 50 -8.709 4.108 -1.817 370 HA LEU 50 HA LEU 50 -6.220 2.974 -2.304 371 1HB LEU 50 2HB LEU 50 -7.477 4.462 -0.129 372 2HB LEU 50 1HB LEU 50 -6.240 3.358 0.437 373 HG LEU 50 HG LEU 50 -5.359 5.606 0.060 374 1HD1 LEU 50 1HD1 LEU 50 -4.295 3.186 -0.936 375 2HD1 LEU 50 2HD1 LEU 50 -3.430 4.621 -0.380 376 3HD1 LEU 50 3HD1 LEU 50 -3.873 4.462 -2.081 377 1HD2 LEU 50 1HD2 LEU 50 -5.618 5.327 -2.888 378 2HD2 LEU 50 2HD2 LEU 50 -5.496 6.776 -1.891 379 3HD2 LEU 50 3HD2 LEU 50 -7.017 5.889 -1.972 380 H SER 51 H SER 51 -8.889 1.826 -0.307 381 HA SER 51 HA SER 51 -7.498 -0.335 0.880 382 1HB SER 51 2HB SER 51 -10.454 -0.160 0.288 383 2HB SER 51 1HB SER 51 -9.665 -1.166 1.518 384 HG SER 51 HG SER 51 -10.518 1.319 1.745 385 H HIS 52 H HIS 52 -9.804 -0.311 -1.866 386 HA HIS 52 HA HIS 52 -9.579 -2.994 -2.534 387 1HB HIS 52 2HB HIS 52 -11.243 -1.649 -3.618 388 2HB HIS 52 1HB HIS 52 -10.016 -0.588 -4.306 389 HD1 HIS 52 HD1 HIS 52 -10.822 -4.336 -4.530 390 HD2 HIS 52 HD2 HIS 52 -9.541 -1.135 -6.847 391 HE1 HIS 52 HE1 HIS 52 -10.528 -5.231 -6.879 392 H ILE 53 H ILE 53 -7.579 -0.258 -3.496 393 HA ILE 53 HA ILE 53 -5.894 -1.627 -5.280 394 HB ILE 53 HB ILE 53 -5.231 0.731 -3.500 395 1HG1 ILE 53 2HG1 ILE 53 -6.153 0.598 -6.384 396 2HG1 ILE 53 1HG1 ILE 53 -7.108 1.165 -5.018 397 1HG2 ILE 53 1HG2 ILE 53 -3.177 0.799 -4.367 398 2HG2 ILE 53 2HG2 ILE 53 -3.768 0.512 -6.003 399 3HG2 ILE 53 3HG2 ILE 53 -3.465 -0.849 -4.922 400 1HD1 ILE 53 1HD1 ILE 53 -6.365 3.204 -5.420 401 2HD1 ILE 53 2HD1 ILE 53 -5.276 2.600 -6.669 402 3HD1 ILE 53 3HD1 ILE 53 -4.742 2.662 -4.989 403 H TRP 54 H TRP 54 -5.549 -1.020 -1.768 404 HA TRP 54 HA TRP 54 -3.072 -2.236 -1.419 405 1HB TRP 54 2HB TRP 54 -4.204 -1.043 0.400 406 2HB TRP 54 1HB TRP 54 -5.404 -2.333 0.496 407 HD1 TRP 54 HD1 TRP 54 -4.714 -4.571 1.708 408 HE1 TRP 54 HE1 TRP 54 -2.683 -5.249 3.134 409 HE3 TRP 54 HE3 TRP 54 -1.619 -0.633 0.666 410 HZ2 TRP 54 HZ2 TRP 54 -0.125 -4.250 3.751 411 HZ3 TRP 54 HZ3 TRP 54 0.601 -0.574 1.719 412 HH2 TRP 54 HH2 TRP 54 1.334 -2.344 3.226 413 H GLU 55 H GLU 55 -6.295 -3.752 -1.182 414 HA GLU 55 HA GLU 55 -5.433 -6.334 -0.636 415 1HB GLU 55 2HB GLU 55 -7.794 -5.582 -2.368 416 2HB GLU 55 1HB GLU 55 -7.574 -7.092 -1.490 417 1HG GLU 55 2HG GLU 55 -7.545 -5.764 0.625 418 2HG GLU 55 1HG GLU 55 -7.987 -4.351 -0.329 419 H LEU 56 H LEU 56 -6.033 -4.852 -3.828 420 HA LEU 56 HA LEU 56 -5.101 -7.131 -5.260 421 1HB LEU 56 2HB LEU 56 -5.744 -4.302 -5.977 422 2HB LEU 56 1HB LEU 56 -4.867 -5.289 -7.131 423 HG LEU 56 HG LEU 56 -6.706 -6.932 -7.115 424 1HD1 LEU 56 1HD1 LEU 56 -8.773 -6.493 -5.990 425 2HD1 LEU 56 2HD1 LEU 56 -8.180 -4.938 -5.406 426 3HD1 LEU 56 3HD1 LEU 56 -7.469 -6.437 -4.805 427 1HD2 LEU 56 1HD2 LEU 56 -7.133 -5.622 -8.896 428 2HD2 LEU 56 2HD2 LEU 56 -6.991 -4.130 -7.967 429 3HD2 LEU 56 3HD2 LEU 56 -8.488 -5.062 -7.916 430 H SER 57 H SER 57 -3.534 -4.462 -3.749 431 HA SER 57 HA SER 57 -1.077 -4.739 -5.229 432 1HB SER 57 2HB SER 57 -1.751 -3.139 -2.752 433 2HB SER 57 1HB SER 57 -0.214 -3.066 -3.606 434 HG SER 57 HG SER 57 -2.757 -2.448 -4.709 435 H ASP 58 H ASP 58 -2.359 -5.920 -2.189 436 HA ASP 58 HA ASP 58 0.258 -7.011 -1.439 437 1HB ASP 58 2HB ASP 58 -1.506 -5.723 0.096 438 2HB ASP 58 1HB ASP 58 -2.131 -7.355 0.306 439 H PHE 59 H PHE 59 -0.352 -8.405 -3.522 440 HA PHE 59 HA PHE 59 -2.179 -10.470 -3.496 441 1HB PHE 59 2HB PHE 59 0.572 -10.250 -4.662 442 2HB PHE 59 1HB PHE 59 -0.306 -11.772 -4.768 443 HD1 PHE 59 HD1 PHE 59 -1.774 -12.139 -6.500 444 HD2 PHE 59 HD2 PHE 59 -0.650 -8.142 -5.565 445 HE1 PHE 59 HE1 PHE 59 -2.930 -11.346 -8.522 446 HE2 PHE 59 HE2 PHE 59 -1.809 -7.346 -7.585 447 HZ PHE 59 HZ PHE 59 -2.949 -8.946 -9.065 448 H ASP 60 H ASP 60 0.402 -10.035 -1.347 449 HA ASP 60 HA ASP 60 0.613 -12.878 -0.701 450 1HB ASP 60 2HB ASP 60 2.419 -12.049 0.857 451 2HB ASP 60 1HB ASP 60 2.709 -11.734 -0.855 452 H LYS 61 H LYS 61 -0.505 -9.831 0.634 453 HA LYS 61 HA LYS 61 -1.977 -9.388 2.319 454 1HB LYS 61 2HB LYS 61 -2.246 -12.352 2.145 455 2HB LYS 61 1HB LYS 61 -2.855 -11.556 3.592 456 1HG LYS 61 2HG LYS 61 -3.657 -10.921 0.756 457 2HG LYS 61 1HG LYS 61 -4.617 -11.825 1.934 458 1HD LYS 61 2HD LYS 61 -3.721 -8.952 2.209 459 2HD LYS 61 1HD LYS 61 -5.354 -9.496 1.810 460 1HE LYS 61 2HE LYS 61 -5.673 -10.449 3.940 461 2HE LYS 61 1HE LYS 61 -3.954 -10.369 4.323 462 1HZ LYS 61 1HZ LYS 61 -4.068 -8.158 4.802 463 2HZ LYS 61 2HZ LYS 61 -5.615 -8.627 5.290 464 3HZ LYS 61 3HZ LYS 61 -5.395 -7.864 3.795 465 H ASP 62 H ASP 62 0.629 -9.077 2.786 466 HA ASP 62 HA ASP 62 1.174 -10.295 5.412 467 1HB ASP 62 2HB ASP 62 3.456 -9.329 5.083 468 2HB ASP 62 1HB ASP 62 2.989 -10.456 3.808 469 H GLY 63 H GLY 63 0.013 -7.451 3.952 470 1HA GLY 63 2HA GLY 63 -0.827 -5.545 5.028 471 2HA GLY 63 1HA GLY 63 -0.108 -6.107 6.536 472 H ALA 64 H ALA 64 1.958 -6.260 3.911 473 HA ALA 64 HA ALA 64 3.092 -3.591 4.316 474 1HB ALA 64 1HB ALA 64 5.333 -4.462 4.623 475 2HB ALA 64 2HB ALA 64 4.743 -6.118 4.484 476 3HB ALA 64 3HB ALA 64 4.275 -5.128 5.867 477 H LEU 65 H LEU 65 3.732 -2.726 2.390 478 HA LEU 65 HA LEU 65 3.531 -4.481 0.070 479 1HB LEU 65 2HB LEU 65 3.013 -1.674 0.606 480 2HB LEU 65 1HB LEU 65 3.986 -1.892 -0.834 481 HG LEU 65 HG LEU 65 2.278 -3.262 -1.854 482 1HD1 LEU 65 1HD1 LEU 65 1.397 -3.568 0.856 483 2HD1 LEU 65 2HD1 LEU 65 0.938 -4.483 -0.582 484 3HD1 LEU 65 3HD1 LEU 65 0.072 -3.004 -0.162 485 1HD2 LEU 65 1HD2 LEU 65 2.063 -0.579 -1.373 486 2HD2 LEU 65 2HD2 LEU 65 0.493 -1.183 -0.845 487 3HD2 LEU 65 3HD2 LEU 65 1.052 -1.498 -2.489 488 H THR 66 H THR 66 5.271 -5.337 -0.710 489 HA THR 66 HA THR 66 7.900 -4.314 -0.103 490 HB THR 66 HB THR 66 7.772 -6.690 -0.211 491 HG1 THR 66 HG1 THR 66 9.681 -6.273 -1.113 492 1HG2 THR 66 1HG2 THR 66 5.905 -6.218 -2.314 493 2HG2 THR 66 2HG2 THR 66 6.293 -7.739 -1.510 494 3HG2 THR 66 3HG2 THR 66 7.198 -7.243 -2.939 495 H LEU 67 H LEU 67 9.426 -3.609 -1.701 496 HA LEU 67 HA LEU 67 8.581 -1.703 -3.449 497 1HB LEU 67 2HB LEU 67 11.005 -3.121 -2.968 498 2HB LEU 67 1HB LEU 67 10.769 -3.042 -4.707 499 HG LEU 67 HG LEU 67 10.503 -0.560 -3.044 500 1HD1 LEU 67 1HD1 LEU 67 12.912 -0.131 -3.526 501 2HD1 LEU 67 2HD1 LEU 67 13.059 -1.824 -3.999 502 3HD1 LEU 67 3HD1 LEU 67 12.614 -1.406 -2.345 503 1HD2 LEU 67 1HD2 LEU 67 10.671 0.557 -5.012 504 2HD2 LEU 67 2HD2 LEU 67 10.003 -0.953 -5.631 505 3HD2 LEU 67 3HD2 LEU 67 11.737 -0.647 -5.738 506 H ASP 68 H ASP 68 8.605 -5.176 -3.893 507 HA ASP 68 HA ASP 68 8.103 -5.360 -6.644 508 1HB ASP 68 2HB ASP 68 8.123 -7.062 -4.372 509 2HB ASP 68 1HB ASP 68 6.569 -7.288 -5.156 510 H GLU 69 H GLU 69 5.850 -5.317 -3.914 511 HA GLU 69 HA GLU 69 3.487 -5.113 -5.453 512 1HB GLU 69 2HB GLU 69 4.005 -4.324 -2.572 513 2HB GLU 69 1HB GLU 69 2.417 -4.516 -3.310 514 1HG GLU 69 2HG GLU 69 2.718 -6.838 -3.598 515 2HG GLU 69 1HG GLU 69 4.434 -6.737 -3.214 516 H PHE 70 H PHE 70 5.594 -2.753 -3.906 517 HA PHE 70 HA PHE 70 4.109 -0.428 -4.293 518 1HB PHE 70 2HB PHE 70 6.024 -0.086 -3.015 519 2HB PHE 70 1HB PHE 70 7.032 -1.056 -4.080 520 HD1 PHE 70 HD1 PHE 70 4.825 1.713 -5.136 521 HD2 PHE 70 HD2 PHE 70 8.815 0.433 -4.388 522 HE1 PHE 70 HE1 PHE 70 5.678 3.759 -6.203 523 HE2 PHE 70 HE2 PHE 70 9.673 2.474 -5.460 524 HZ PHE 70 HZ PHE 70 8.105 4.145 -6.358 525 H CYS 71 H CYS 71 6.617 -1.803 -6.363 526 HA CYS 71 HA CYS 71 6.623 -0.107 -8.490 527 1HB CYS 71 2HB CYS 71 7.441 -2.794 -7.963 528 2HB CYS 71 1HB CYS 71 6.715 -2.740 -9.566 529 HG CYS 71 HG CYS 71 9.640 -1.525 -8.507 530 H ALA 72 H ALA 72 4.484 -2.944 -8.162 531 HA ALA 72 HA ALA 72 2.980 -2.291 -10.510 532 1HB ALA 72 1HB ALA 72 1.402 -4.007 -9.018 533 2HB ALA 72 2HB ALA 72 3.054 -4.445 -8.578 534 3HB ALA 72 3HB ALA 72 2.557 -4.458 -10.271 535 H ALA 73 H ALA 73 2.564 -1.702 -7.080 536 HA ALA 73 HA ALA 73 -0.106 -0.997 -6.970 537 1HB ALA 73 1HB ALA 73 1.233 -1.281 -4.989 538 2HB ALA 73 2HB ALA 73 0.495 0.322 -4.979 539 3HB ALA 73 3HB ALA 73 2.197 0.136 -5.400 540 H PHE 74 H PHE 74 2.648 1.244 -7.460 541 HA PHE 74 HA PHE 74 1.090 3.552 -7.740 542 1HB PHE 74 2HB PHE 74 3.650 3.352 -7.552 543 2HB PHE 74 1HB PHE 74 3.632 3.129 -9.299 544 HD1 PHE 74 HD1 PHE 74 2.897 4.946 -10.773 545 HD2 PHE 74 HD2 PHE 74 3.220 5.478 -6.566 546 HE1 PHE 74 HE1 PHE 74 2.835 7.387 -11.082 547 HE2 PHE 74 HE2 PHE 74 3.157 7.919 -6.866 548 HZ PHE 74 HZ PHE 74 2.963 8.876 -9.125 549 H HIS 75 H HIS 75 2.197 1.252 -10.197 550 HA HIS 75 HA HIS 75 1.242 2.554 -12.476 551 1HB HIS 75 2HB HIS 75 2.516 0.191 -11.916 552 2HB HIS 75 1HB HIS 75 0.945 -0.366 -12.455 553 HD1 HIS 75 HD1 HIS 75 3.484 2.193 -13.786 554 HD2 HIS 75 HD2 HIS 75 0.951 -0.853 -15.048 555 HE1 HIS 75 HE1 HIS 75 3.820 1.976 -16.285 556 H LEU 76 H LEU 76 -0.313 -0.034 -10.577 557 HA LEU 76 HA LEU 76 -2.744 -0.088 -11.930 558 1HB LEU 76 2HB LEU 76 -1.686 -1.530 -9.958 559 2HB LEU 76 1HB LEU 76 -2.719 -0.499 -8.982 560 HG LEU 76 HG LEU 76 -4.390 -1.314 -10.996 561 1HD1 LEU 76 1HD1 LEU 76 -4.163 -3.687 -11.229 562 2HD1 LEU 76 2HD1 LEU 76 -2.767 -3.701 -10.150 563 3HD1 LEU 76 3HD1 LEU 76 -2.656 -2.920 -11.728 564 1HD2 LEU 76 1HD2 LEU 76 -4.722 -3.131 -8.885 565 2HD2 LEU 76 2HD2 LEU 76 -5.560 -1.600 -9.134 566 3HD2 LEU 76 3HD2 LEU 76 -4.086 -1.649 -8.167 567 H VAL 77 H VAL 77 -1.849 1.759 -9.006 568 HA VAL 77 HA VAL 77 -4.299 3.030 -8.584 569 HB VAL 77 HB VAL 77 -1.533 4.140 -8.070 570 1HG1 VAL 77 1HG1 VAL 77 -4.270 5.059 -7.316 571 2HG1 VAL 77 2HG1 VAL 77 -2.863 5.997 -7.818 572 3HG1 VAL 77 3HG1 VAL 77 -2.934 5.316 -6.192 573 1HG2 VAL 77 1HG2 VAL 77 -1.367 2.696 -6.395 574 2HG2 VAL 77 2HG2 VAL 77 -2.866 1.937 -6.928 575 3HG2 VAL 77 3HG2 VAL 77 -2.911 3.235 -5.734 576 H VAL 78 H VAL 78 -1.519 4.092 -10.541 577 HA VAL 78 HA VAL 78 -2.399 6.547 -11.388 578 HB VAL 78 HB VAL 78 -1.030 4.399 -13.009 579 1HG1 VAL 78 1HG1 VAL 78 -1.561 7.289 -13.672 580 2HG1 VAL 78 2HG1 VAL 78 -2.007 5.857 -14.602 581 3HG1 VAL 78 3HG1 VAL 78 -0.313 6.326 -14.466 582 1HG2 VAL 78 1HG2 VAL 78 0.207 6.892 -11.887 583 2HG2 VAL 78 2HG2 VAL 78 0.991 5.403 -12.414 584 3HG2 VAL 78 3HG2 VAL 78 0.053 5.425 -10.922 585 H ALA 79 H ALA 79 -3.275 3.383 -12.752 586 HA ALA 79 HA ALA 79 -4.818 4.092 -14.883 587 1HB ALA 79 1HB ALA 79 -6.300 2.067 -14.090 588 2HB ALA 79 2HB ALA 79 -4.989 1.855 -12.930 589 3HB ALA 79 3HB ALA 79 -4.649 1.821 -14.660 590 H ARG 80 H ARG 80 -5.698 4.317 -11.488 591 HA ARG 80 HA ARG 80 -8.402 4.657 -11.536 592 1HB ARG 80 2HB ARG 80 -6.916 4.773 -9.529 593 2HB ARG 80 1HB ARG 80 -6.486 6.411 -9.994 594 1HG ARG 80 2HG ARG 80 -8.157 6.489 -8.278 595 2HG ARG 80 1HG ARG 80 -8.866 7.049 -9.792 596 1HD ARG 80 2HD ARG 80 -9.086 4.181 -8.966 597 2HD ARG 80 1HD ARG 80 -10.191 5.385 -8.314 598 HE ARG 80 HE ARG 80 -10.189 4.312 -10.987 599 1HH1 ARG 80 2HH1 ARG 80 -11.167 6.910 -8.941 600 2HH1 ARG 80 1HH1 ARG 80 -12.392 7.458 -10.025 601 1HH2 ARG 80 1HH2 ARG 80 -11.778 4.972 -12.352 602 2HH2 ARG 80 2HH2 ARG 80 -12.730 6.357 -11.976 603 H LYS 81 H LYS 81 -5.964 6.954 -12.547 604 HA LYS 81 HA LYS 81 -7.476 9.261 -12.830 605 1HB LYS 81 2HB LYS 81 -5.820 9.962 -14.452 606 2HB LYS 81 1HB LYS 81 -5.032 9.106 -13.133 607 1HG LYS 81 2HG LYS 81 -5.083 7.048 -14.595 608 2HG LYS 81 1HG LYS 81 -5.573 8.109 -15.922 609 1HD LYS 81 2HD LYS 81 -3.026 8.249 -14.303 610 2HD LYS 81 1HD LYS 81 -3.184 7.822 -16.010 611 1HE LYS 81 2HE LYS 81 -3.884 10.055 -16.566 612 2HE LYS 81 1HE LYS 81 -3.968 10.505 -14.860 613 1HZ LYS 81 1HZ LYS 81 -1.635 10.384 -14.663 614 2HZ LYS 81 2HZ LYS 81 -1.918 11.244 -16.090 615 3HZ LYS 81 3HZ LYS 81 -1.453 9.619 -16.160 616 H ASN 82 H ASN 82 -7.270 6.453 -14.921 617 HA ASN 82 HA ASN 82 -9.565 7.479 -16.437 618 1HB ASN 82 2HB ASN 82 -7.038 6.369 -17.673 619 2HB ASN 82 1HB ASN 82 -8.533 6.677 -18.551 620 1HD2 ASN 82 1HD2 ASN 82 -5.599 7.903 -17.783 621 2HD2 ASN 82 2HD2 ASN 82 -5.905 9.574 -18.077 622 H GLY 83 H GLY 83 -9.858 5.711 -14.470 623 1HA GLY 83 2HA GLY 83 -10.904 3.424 -15.854 624 2HA GLY 83 1HA GLY 83 -9.518 3.024 -14.851 625 H TYR 84 H TYR 84 -12.871 3.601 -14.926 626 HA TYR 84 HA TYR 84 -13.222 4.150 -12.124 627 1HB TYR 84 2HB TYR 84 -15.045 3.569 -14.427 628 2HB TYR 84 1HB TYR 84 -15.667 3.425 -12.788 629 HD1 TYR 84 HD1 TYR 84 -13.210 5.909 -14.060 630 HD2 TYR 84 HD2 TYR 84 -17.168 5.209 -12.669 631 HE1 TYR 84 HE1 TYR 84 -13.607 8.336 -13.983 632 HE2 TYR 84 HE2 TYR 84 -17.576 7.632 -12.591 633 HH TYR 84 HH TYR 84 -15.365 9.913 -13.951 634 H ASP 85 H ASP 85 -14.207 1.387 -14.143 635 HA ASP 85 HA ASP 85 -14.600 -0.320 -11.895 636 1HB ASP 85 2HB ASP 85 -15.910 -0.666 -13.901 637 2HB ASP 85 1HB ASP 85 -14.450 -0.913 -14.857 638 H LEU 86 H LEU 86 -13.499 -2.499 -11.763 639 HA LEU 86 HA LEU 86 -10.745 -2.540 -12.689 640 1HB LEU 86 2HB LEU 86 -11.425 -2.392 -9.758 641 2HB LEU 86 1HB LEU 86 -9.871 -2.929 -10.365 642 HG LEU 86 HG LEU 86 -9.816 -0.632 -11.574 643 1HD1 LEU 86 1HD1 LEU 86 -11.595 0.652 -11.272 644 2HD1 LEU 86 2HD1 LEU 86 -11.096 0.828 -9.589 645 3HD1 LEU 86 3HD1 LEU 86 -12.248 -0.429 -10.041 646 1HD2 LEU 86 1HD2 LEU 86 -9.426 -1.089 -8.636 647 2HD2 LEU 86 2HD2 LEU 86 -8.971 0.423 -9.422 648 3HD2 LEU 86 3HD2 LEU 86 -8.220 -1.092 -9.920 649 HA PRO 87 HA PRO 87 -11.545 -6.850 -12.890 650 1HB PRO 87 2HB PRO 87 -8.985 -7.800 -12.708 651 2HB PRO 87 1HB PRO 87 -9.677 -7.094 -14.173 652 1HG PRO 87 2HG PRO 87 -7.911 -5.833 -12.112 653 2HG PRO 87 1HG PRO 87 -7.848 -5.691 -13.878 654 1HD PRO 87 2HD PRO 87 -8.923 -3.764 -12.337 655 2HD PRO 87 1HD PRO 87 -9.574 -4.152 -13.943 656 H GLU 88 H GLU 88 -12.545 -7.743 -11.211 657 HA GLU 88 HA GLU 88 -11.488 -7.778 -8.547 658 1HB GLU 88 2HB GLU 88 -13.474 -9.145 -8.033 659 2HB GLU 88 1HB GLU 88 -13.895 -7.682 -8.921 660 1HG GLU 88 2HG GLU 88 -14.052 -8.971 -10.981 661 2HG GLU 88 1HG GLU 88 -13.598 -10.434 -10.114 662 H LYS 89 H LYS 89 -10.854 -9.613 -7.343 663 HA LYS 89 HA LYS 89 -10.516 -12.163 -8.639 664 1HB LYS 89 2HB LYS 89 -8.129 -10.437 -8.015 665 2HB LYS 89 1HB LYS 89 -8.015 -12.183 -8.204 666 1HG LYS 89 2HG LYS 89 -9.420 -11.387 -10.438 667 2HG LYS 89 1HG LYS 89 -8.242 -10.094 -10.205 668 1HD LYS 89 2HD LYS 89 -7.610 -12.174 -11.633 669 2HD LYS 89 1HD LYS 89 -6.434 -11.507 -10.496 670 1HE LYS 89 2HE LYS 89 -6.384 -13.404 -9.330 671 2HE LYS 89 1HE LYS 89 -8.141 -13.436 -9.186 672 1HZ LYS 89 1HZ LYS 89 -8.016 -15.232 -10.477 673 2HZ LYS 89 2HZ LYS 89 -6.419 -14.915 -10.939 674 3HZ LYS 89 3HZ LYS 89 -7.699 -14.176 -11.762 675 H LEU 90 H LEU 90 -9.492 -10.180 -5.851 676 HA LEU 90 HA LEU 90 -9.083 -12.411 -4.153 677 1HB LEU 90 2HB LEU 90 -8.815 -9.596 -3.960 678 2HB LEU 90 1HB LEU 90 -9.821 -10.117 -2.623 679 HG LEU 90 HG LEU 90 -7.870 -11.929 -2.382 680 1HD1 LEU 90 1HD1 LEU 90 -5.885 -11.397 -3.270 681 2HD1 LEU 90 2HD1 LEU 90 -6.112 -9.667 -3.003 682 3HD1 LEU 90 3HD1 LEU 90 -6.842 -10.449 -4.407 683 1HD2 LEU 90 1HD2 LEU 90 -8.763 -9.848 -0.923 684 2HD2 LEU 90 2HD2 LEU 90 -7.125 -9.297 -1.276 685 3HD2 LEU 90 3HD2 LEU 90 -7.381 -10.844 -0.467 686 HA PRO 91 HA PRO 91 -13.468 -13.173 -3.447 687 1HB PRO 91 2HB PRO 91 -13.149 -15.481 -2.094 688 2HB PRO 91 1HB PRO 91 -12.971 -15.395 -3.851 689 1HG PRO 91 2HG PRO 91 -10.852 -15.400 -1.733 690 2HG PRO 91 1HG PRO 91 -10.905 -16.297 -3.262 691 1HD PRO 91 2HD PRO 91 -9.484 -14.001 -2.949 692 2HD PRO 91 1HD PRO 91 -10.207 -14.482 -4.497 693 H GLU 92 H GLU 92 -14.831 -12.952 -1.627 694 HA GLU 92 HA GLU 92 -14.050 -11.331 0.428 695 1HB GLU 92 2HB GLU 92 -16.169 -13.476 0.630 696 2HB GLU 92 1HB GLU 92 -16.026 -12.060 1.667 697 1HG GLU 92 2HG GLU 92 -16.459 -10.597 -0.209 698 2HG GLU 92 1HG GLU 92 -16.510 -11.978 -1.304 699 H SER 93 H SER 93 -14.255 -14.905 0.649 700 HA SER 93 HA SER 93 -12.164 -14.774 2.701 701 1HB SER 93 2HB SER 93 -13.375 -16.340 4.158 702 2HB SER 93 1HB SER 93 -14.283 -14.846 3.932 703 HG SER 93 HG SER 93 -15.822 -16.189 3.409 704 H LEU 94 H LEU 94 -12.596 -15.836 -0.187 705 HA LEU 94 HA LEU 94 -11.858 -18.629 0.323 706 1HB LEU 94 2HB LEU 94 -12.754 -17.230 -2.185 707 2HB LEU 94 1HB LEU 94 -12.090 -18.853 -2.194 708 HG LEU 94 HG LEU 94 -13.920 -19.569 -0.665 709 1HD1 LEU 94 1HD1 LEU 94 -15.580 -17.240 -1.280 710 2HD1 LEU 94 2HD1 LEU 94 -14.256 -16.916 -0.161 711 3HD1 LEU 94 3HD1 LEU 94 -15.432 -18.175 0.209 712 1HD2 LEU 94 1HD2 LEU 94 -15.239 -20.068 -2.419 713 2HD2 LEU 94 2HD2 LEU 94 -13.944 -19.321 -3.354 714 3HD2 LEU 94 3HD2 LEU 94 -15.380 -18.387 -2.933 715 H MET 95 H MET 95 -10.088 -16.246 0.686 716 HA MET 95 HA MET 95 -8.053 -16.722 -1.342 717 1HB MET 95 2HB MET 95 -8.565 -14.609 0.644 718 2HB MET 95 1HB MET 95 -6.869 -15.016 0.423 719 1HG MET 95 2HG MET 95 -8.680 -14.403 -1.883 720 2HG MET 95 1HG MET 95 -7.812 -13.149 -1.000 721 1HE MET 95 1HE MET 95 -6.344 -16.779 -1.635 722 2HE MET 95 2HE MET 95 -5.653 -16.571 -3.245 723 3HE MET 95 3HE MET 95 -7.400 -16.497 -3.022 724 HA PRO 96 HA PRO 96 -5.760 -18.258 2.573 725 1HB PRO 96 2HB PRO 96 -7.096 -18.462 4.896 726 2HB PRO 96 1HB PRO 96 -6.372 -16.935 4.374 727 1HG PRO 96 2HG PRO 96 -9.222 -17.838 4.192 728 2HG PRO 96 1HG PRO 96 -8.579 -16.261 4.687 729 1HD PRO 96 2HD PRO 96 -9.557 -16.769 2.188 730 2HD PRO 96 1HD PRO 96 -8.305 -15.555 2.520 731 H LYS 97 HN LYS 97 -6.384 -20.177 4.428 732 HA LYS 97 HA LYS 97 -8.284 -21.998 3.182 733 1HB LYS 97 2HB LYS 97 -5.371 -22.679 3.593 734 2HB LYS 97 1HB LYS 97 -6.621 -23.847 3.179 735 1HG LYS 97 2HG LYS 97 -5.817 -21.474 1.509 736 2HG LYS 97 1HG LYS 97 -5.343 -23.150 1.219 737 1HD LYS 97 2HD LYS 97 -7.715 -23.752 0.943 738 2HD LYS 97 1HD LYS 97 -8.162 -22.066 1.200 739 1HE LYS 97 2HE LYS 97 -8.072 -22.745 -1.195 740 2HE LYS 97 1HE LYS 97 -7.026 -21.382 -0.786 741 1HZ LYS 97 1HZ LYS 97 -5.378 -22.532 -1.698 742 2HZ LYS 97 2HZ LYS 97 -6.332 -23.920 -1.859 743 3HZ LYS 97 3HZ LYS 97 -5.489 -23.641 -0.420 Start of MODEL 19 1 1H TRP 6 1H TRP 6 -2.150 0.991 -19.689 2 2H TRP 6 2H TRP 6 -0.645 1.654 -20.101 3 3H TRP 6 3H TRP 6 -1.307 1.944 -18.572 4 HA TRP 6 HA TRP 6 -0.430 0.120 -17.733 5 1HB TRP 6 2HB TRP 6 -1.514 -1.263 -20.203 6 2HB TRP 6 1HB TRP 6 -0.885 -2.093 -18.784 7 HD1 TRP 6 HD1 TRP 6 -4.055 -1.121 -20.232 8 HE1 TRP 6 HE1 TRP 6 -5.932 -1.031 -18.471 9 HE3 TRP 6 HE3 TRP 6 -1.195 -1.201 -15.992 10 HZ2 TRP 6 HZ2 TRP 6 -6.165 -0.991 -15.654 11 HZ3 TRP 6 HZ3 TRP 6 -2.322 -1.131 -13.806 12 HH2 TRP 6 HH2 TRP 6 -4.754 -1.029 -13.641 13 H LYS 7 H LYS 7 0.830 -2.106 -19.230 14 HA LYS 7 HA LYS 7 2.921 -2.635 -19.927 15 1HB LYS 7 2HB LYS 7 2.347 -0.319 -21.776 16 2HB LYS 7 1HB LYS 7 3.728 -1.395 -21.953 17 1HG LYS 7 2HG LYS 7 1.881 -3.256 -21.911 18 2HG LYS 7 1HG LYS 7 0.836 -1.922 -22.400 19 1HD LYS 7 2HD LYS 7 1.782 -3.225 -24.306 20 2HD LYS 7 1HD LYS 7 2.171 -1.503 -24.348 21 1HE LYS 7 2HE LYS 7 4.379 -1.939 -23.463 22 2HE LYS 7 1HE LYS 7 3.996 -3.647 -23.266 23 1HZ LYS 7 1HZ LYS 7 3.498 -3.255 -25.879 24 2HZ LYS 7 2HZ LYS 7 4.960 -3.841 -25.261 25 3HZ LYS 7 3HZ LYS 7 4.797 -2.199 -25.631 26 H ILE 8 H ILE 8 3.380 -1.703 -17.680 27 HA ILE 8 HA ILE 8 4.468 0.680 -17.043 28 HB ILE 8 HB ILE 8 5.646 -1.986 -16.254 29 1HG1 ILE 8 2HG1 ILE 8 3.407 -0.339 -15.079 30 2HG1 ILE 8 1HG1 ILE 8 3.301 -1.963 -15.750 31 1HG2 ILE 8 1HG2 ILE 8 6.013 0.793 -15.215 32 2HG2 ILE 8 2HG2 ILE 8 7.219 -0.452 -15.536 33 3HG2 ILE 8 3HG2 ILE 8 6.165 -0.588 -14.129 34 1HD1 ILE 8 1HD1 ILE 8 5.223 -2.029 -13.687 35 2HD1 ILE 8 2HD1 ILE 8 3.632 -2.789 -13.733 36 3HD1 ILE 8 3HD1 ILE 8 3.813 -1.161 -13.079 37 H THR 9 H THR 9 6.095 1.916 -17.749 38 HA THR 9 HA THR 9 8.122 0.688 -19.479 39 HB THR 9 HB THR 9 7.693 3.645 -19.026 40 HG1 THR 9 HG1 THR 9 5.903 3.152 -20.140 41 1HG2 THR 9 1HG2 THR 9 9.036 2.309 -21.359 42 2HG2 THR 9 2HG2 THR 9 9.924 2.710 -19.889 43 3HG2 THR 9 3HG2 THR 9 9.154 3.987 -20.831 44 H ASP 10 H ASP 10 10.237 0.632 -18.960 45 HA ASP 10 HA ASP 10 11.134 0.551 -16.399 46 1HB ASP 10 2HB ASP 10 12.283 0.578 -19.017 47 2HB ASP 10 1HB ASP 10 13.279 1.573 -17.958 48 H GLU 11 H GLU 11 10.883 3.384 -18.472 49 HA GLU 11 HA GLU 11 12.285 5.261 -16.942 50 1HB GLU 11 2HB GLU 11 10.518 5.268 -19.177 51 2HB GLU 11 1HB GLU 11 9.950 6.483 -18.041 52 1HG GLU 11 2HG GLU 11 12.598 7.030 -18.081 53 2HG GLU 11 1HG GLU 11 12.345 6.444 -19.728 54 H GLN 12 H GLN 12 8.779 4.681 -17.027 55 HA GLN 12 HA GLN 12 8.161 6.260 -14.778 56 1HB GLN 12 2HB GLN 12 6.773 4.622 -16.651 57 2HB GLN 12 1HB GLN 12 6.290 4.111 -15.039 58 1HG GLN 12 2HG GLN 12 5.744 6.470 -14.512 59 2HG GLN 12 1HG GLN 12 6.108 6.886 -16.187 60 1HE2 GLN 12 1HE2 GLN 12 4.329 7.133 -17.342 61 2HE2 GLN 12 2HE2 GLN 12 2.875 6.217 -17.182 62 H ARG 13 H ARG 13 8.997 2.902 -15.243 63 HA ARG 13 HA ARG 13 8.441 1.812 -12.755 64 1HB ARG 13 2HB ARG 13 9.367 0.750 -14.954 65 2HB ARG 13 1HB ARG 13 10.943 1.115 -14.269 66 1HG ARG 13 2HG ARG 13 8.843 -0.564 -12.921 67 2HG ARG 13 1HG ARG 13 10.189 -1.200 -13.868 68 1HD ARG 13 2HD ARG 13 11.775 -0.248 -12.314 69 2HD ARG 13 1HD ARG 13 10.475 0.528 -11.412 70 HE ARG 13 HE ARG 13 9.957 -2.207 -11.454 71 1HH1 ARG 13 2HH1 ARG 13 12.271 -0.013 -10.162 72 2HH1 ARG 13 1HH1 ARG 13 12.666 -1.020 -8.816 73 1HH2 ARG 13 1HH2 ARG 13 10.471 -3.550 -9.693 74 2HH2 ARG 13 2HH2 ARG 13 11.650 -3.011 -8.555 75 H GLN 14 H GLN 14 11.498 3.217 -13.907 76 HA GLN 14 HA GLN 14 12.699 3.203 -11.321 77 1HB GLN 14 2HB GLN 14 13.523 3.573 -13.982 78 2HB GLN 14 1HB GLN 14 13.905 5.070 -13.147 79 1HG GLN 14 2HG GLN 14 15.232 3.917 -11.537 80 2HG GLN 14 1HG GLN 14 14.704 2.353 -12.150 81 1HE2 GLN 14 1HE2 GLN 14 17.116 4.602 -12.211 82 2HE2 GLN 14 2HE2 GLN 14 17.938 4.091 -13.642 83 H TYR 15 H TYR 15 10.986 5.549 -13.292 84 HA TYR 15 HA TYR 15 11.527 7.917 -12.029 85 1HB TYR 15 2HB TYR 15 10.105 7.856 -13.969 86 2HB TYR 15 1HB TYR 15 8.910 6.878 -13.125 87 HD1 TYR 15 HD1 TYR 15 6.977 8.041 -12.783 88 HD2 TYR 15 HD2 TYR 15 10.681 10.078 -12.310 89 HE1 TYR 15 HE1 TYR 15 5.766 10.070 -12.113 90 HE2 TYR 15 HE2 TYR 15 9.480 12.117 -11.637 91 HH TYR 15 HH TYR 15 6.350 12.171 -10.674 92 H TYR 16 H TYR 16 8.870 5.678 -11.166 93 HA TYR 16 HA TYR 16 7.988 7.004 -8.882 94 1HB TYR 16 2HB TYR 16 8.061 4.024 -9.400 95 2HB TYR 16 1HB TYR 16 7.095 4.815 -8.159 96 HD1 TYR 16 HD1 TYR 16 6.832 7.161 -10.535 97 HD2 TYR 16 HD2 TYR 16 5.724 3.092 -9.960 98 HE1 TYR 16 HE1 TYR 16 4.997 7.439 -12.149 99 HE2 TYR 16 HE2 TYR 16 3.887 3.358 -11.572 100 HH TYR 16 HH TYR 16 3.547 5.238 -13.708 101 H VAL 17 H VAL 17 10.426 4.452 -9.165 102 HA VAL 17 HA VAL 17 11.112 4.151 -6.501 103 HB VAL 17 HB VAL 17 13.016 4.060 -8.844 104 1HG1 VAL 17 1HG1 VAL 17 13.174 2.537 -6.252 105 2HG1 VAL 17 2HG1 VAL 17 13.991 4.077 -6.516 106 3HG1 VAL 17 3HG1 VAL 17 14.405 2.680 -7.508 107 1HG2 VAL 17 1HG2 VAL 17 10.904 2.685 -9.050 108 2HG2 VAL 17 2HG2 VAL 17 11.484 1.755 -7.669 109 3HG2 VAL 17 3HG2 VAL 17 12.422 1.796 -9.163 110 H ASN 18 H ASN 18 12.292 6.562 -8.839 111 HA ASN 18 HA ASN 18 14.341 7.670 -7.360 112 1HB ASN 18 2HB ASN 18 12.559 8.563 -9.516 113 2HB ASN 18 1HB ASN 18 13.293 9.855 -8.579 114 1HD2 ASN 18 1HD2 ASN 18 13.659 8.143 -11.273 115 2HD2 ASN 18 2HD2 ASN 18 15.380 8.163 -11.429 116 H GLN 19 H GLN 19 10.881 8.499 -7.239 117 HA GLN 19 HA GLN 19 11.331 10.379 -5.084 118 1HB GLN 19 2HB GLN 19 8.769 9.307 -6.280 119 2HB GLN 19 1HB GLN 19 8.857 10.589 -5.078 120 1HG GLN 19 2HG GLN 19 10.108 11.979 -6.638 121 2HG GLN 19 1HG GLN 19 10.053 10.690 -7.839 122 1HE2 GLN 19 1HE2 GLN 19 8.760 13.536 -7.131 123 2HE2 GLN 19 2HE2 GLN 19 7.175 13.338 -7.786 124 H PHE 20 H PHE 20 9.682 7.236 -5.428 125 HA PHE 20 HA PHE 20 9.013 6.942 -2.726 126 1HB PHE 20 2HB PHE 20 8.867 5.305 -5.069 127 2HB PHE 20 1HB PHE 20 9.444 4.356 -3.698 128 HD1 PHE 20 HD1 PHE 20 7.815 3.272 -2.525 129 HD2 PHE 20 HD2 PHE 20 6.933 7.050 -4.267 130 HE1 PHE 20 HE1 PHE 20 5.531 3.150 -1.621 131 HE2 PHE 20 HE2 PHE 20 4.648 6.936 -3.370 132 HZ PHE 20 HZ PHE 20 3.949 4.988 -2.042 133 H LYS 21 H LYS 21 12.032 6.529 -4.342 134 HA LYS 21 HA LYS 21 13.410 4.705 -2.871 135 1HB LYS 21 2HB LYS 21 14.096 7.084 -4.358 136 2HB LYS 21 1HB LYS 21 15.145 6.909 -2.958 137 1HG LYS 21 2HG LYS 21 15.556 4.539 -3.725 138 2HG LYS 21 1HG LYS 21 14.749 4.988 -5.229 139 1HD LYS 21 2HD LYS 21 17.136 5.224 -5.498 140 2HD LYS 21 1HD LYS 21 16.385 6.822 -5.512 141 1HE LYS 21 2HE LYS 21 16.990 7.134 -3.168 142 2HE LYS 21 1HE LYS 21 17.721 5.529 -3.137 143 1HZ LYS 21 1HZ LYS 21 18.614 7.704 -4.944 144 2HZ LYS 21 2HZ LYS 21 19.381 6.225 -4.661 145 3HZ LYS 21 3HZ LYS 21 19.316 7.390 -3.437 146 H THR 22 H THR 22 12.409 7.915 -1.915 147 HA THR 22 HA THR 22 13.806 8.339 0.410 148 HB THR 22 HB THR 22 10.846 8.880 0.159 149 HG1 THR 22 HG1 THR 22 11.484 9.854 -1.653 150 1HG2 THR 22 1HG2 THR 22 12.606 10.944 1.234 151 2HG2 THR 22 2HG2 THR 22 12.642 9.451 2.172 152 3HG2 THR 22 3HG2 THR 22 11.111 10.281 1.894 153 H ILE 23 H ILE 23 10.982 6.318 -0.136 154 HA ILE 23 HA ILE 23 11.132 5.319 2.619 155 HB ILE 23 HB ILE 23 8.896 5.047 0.607 156 1HG1 ILE 23 2HG1 ILE 23 9.088 6.639 3.173 157 2HG1 ILE 23 1HG1 ILE 23 9.126 7.313 1.547 158 1HG2 ILE 23 1HG2 ILE 23 9.018 4.162 3.486 159 2HG2 ILE 23 2HG2 ILE 23 9.106 3.096 2.083 160 3HG2 ILE 23 3HG2 ILE 23 7.636 4.016 2.402 161 1HD1 ILE 23 1HD1 ILE 23 6.915 7.092 3.097 162 2HD1 ILE 23 2HD1 ILE 23 6.796 5.637 2.106 163 3HD1 ILE 23 3HD1 ILE 23 6.903 7.221 1.338 164 H GLN 24 H GLN 24 10.750 4.110 -0.742 165 HA GLN 24 HA GLN 24 11.566 1.460 0.217 166 1HB GLN 24 2HB GLN 24 9.436 2.040 -1.273 167 2HB GLN 24 1HB GLN 24 10.615 1.790 -2.558 168 1HG GLN 24 2HG GLN 24 9.391 -0.257 -2.023 169 2HG GLN 24 1HG GLN 24 11.120 -0.417 -1.713 170 1HE2 GLN 24 1HE2 GLN 24 11.712 -1.160 0.197 171 2HE2 GLN 24 2HE2 GLN 24 10.714 -1.225 1.611 172 HA PRO 25 HA PRO 25 15.221 3.034 -2.285 173 1HB PRO 25 2HB PRO 25 17.103 2.744 -0.364 174 2HB PRO 25 1HB PRO 25 16.164 4.226 -0.567 175 1HG PRO 25 2HG PRO 25 15.788 1.993 1.387 176 2HG PRO 25 1HG PRO 25 15.657 3.741 1.647 177 1HD PRO 25 2HD PRO 25 13.499 2.116 1.316 178 2HD PRO 25 1HD PRO 25 13.510 3.824 0.832 179 H ASP 26 H ASP 26 15.140 0.438 0.156 180 HA ASP 26 HA ASP 26 16.956 -1.187 -1.373 181 1HB ASP 26 2HB ASP 26 16.985 -1.231 1.113 182 2HB ASP 26 1HB ASP 26 15.365 -1.929 1.091 183 H LEU 27 H LEU 27 16.318 -2.326 -3.021 184 HA LEU 27 HA LEU 27 13.816 -2.649 -4.048 185 1HB LEU 27 2HB LEU 27 15.845 -3.226 -5.251 186 2HB LEU 27 1HB LEU 27 16.105 -4.599 -4.192 187 HG LEU 27 HG LEU 27 14.005 -5.616 -5.065 188 1HD1 LEU 27 1HD1 LEU 27 13.426 -3.106 -5.973 189 2HD1 LEU 27 2HD1 LEU 27 12.629 -4.587 -6.501 190 3HD1 LEU 27 3HD1 LEU 27 13.961 -3.918 -7.445 191 1HD2 LEU 27 1HD2 LEU 27 15.913 -6.499 -6.043 192 2HD2 LEU 27 2HD2 LEU 27 16.329 -4.982 -6.838 193 3HD2 LEU 27 3HD2 LEU 27 14.987 -5.953 -7.442 194 H ASN 28 H ASN 28 15.262 -4.576 -1.478 195 HA ASN 28 HA ASN 28 12.966 -6.401 -1.517 196 1HB ASN 28 2HB ASN 28 15.336 -7.260 -1.386 197 2HB ASN 28 1HB ASN 28 15.423 -6.563 0.229 198 1HD2 ASN 28 1HD2 ASN 28 14.688 -7.717 1.883 199 2HD2 ASN 28 2HD2 ASN 28 13.827 -9.210 1.746 200 H GLY 29 H GLY 29 12.401 -3.800 -0.722 201 1HA GLY 29 2HA GLY 29 12.086 -4.037 2.199 202 2HA GLY 29 1HA GLY 29 12.096 -2.518 1.316 203 H PHE 30 H PHE 30 10.118 -3.467 3.188 204 HA PHE 30 HA PHE 30 7.773 -3.575 1.412 205 1HB PHE 30 2HB PHE 30 7.727 -4.665 4.210 206 2HB PHE 30 1HB PHE 30 6.686 -5.065 2.850 207 HD1 PHE 30 HD1 PHE 30 6.927 -7.214 2.102 208 HD2 PHE 30 HD2 PHE 30 10.369 -5.164 3.541 209 HE1 PHE 30 HE1 PHE 30 8.307 -9.197 1.637 210 HE2 PHE 30 HE2 PHE 30 11.752 -7.142 3.068 211 HZ PHE 30 HZ PHE 30 10.720 -9.163 2.120 212 H ILE 31 H ILE 31 6.619 -1.763 1.531 213 HA ILE 31 HA ILE 31 6.978 0.131 3.672 214 HB ILE 31 HB ILE 31 5.719 0.162 1.001 215 1HG1 ILE 31 2HG1 ILE 31 6.991 2.437 2.498 216 2HG1 ILE 31 1HG1 ILE 31 7.975 1.166 1.774 217 1HG2 ILE 31 1HG2 ILE 31 3.767 0.779 2.179 218 2HG2 ILE 31 2HG2 ILE 31 4.486 2.284 1.605 219 3HG2 ILE 31 3HG2 ILE 31 4.675 1.803 3.292 220 1HD1 ILE 31 1HD1 ILE 31 7.394 3.409 0.506 221 2HD1 ILE 31 2HD1 ILE 31 5.959 2.490 0.055 222 3HD1 ILE 31 3HD1 ILE 31 7.562 1.872 -0.343 223 HA PRO 32 HA PRO 32 3.528 -1.222 6.080 224 1HB PRO 32 2HB PRO 32 3.137 1.080 7.486 225 2HB PRO 32 1HB PRO 32 4.433 -0.066 7.847 226 1HG PRO 32 2HG PRO 32 4.542 2.494 6.299 227 2HG PRO 32 1HG PRO 32 5.690 1.859 7.493 228 1HD PRO 32 2HD PRO 32 6.128 1.685 4.831 229 2HD PRO 32 1HD PRO 32 6.681 0.435 5.967 230 H GLY 33 H GLY 33 1.339 -1.202 5.729 231 1HA GLY 33 2HA GLY 33 0.166 0.036 3.588 232 2HA GLY 33 1HA GLY 33 -0.735 -0.435 5.022 233 H SER 34 H SER 34 0.557 1.346 6.825 234 HA SER 34 HA SER 34 -1.044 3.598 6.666 235 1HB SER 34 2HB SER 34 1.689 3.472 7.967 236 2HB SER 34 1HB SER 34 0.367 4.559 8.393 237 HG SER 34 HG SER 34 0.857 2.208 9.415 238 H ALA 35 H ALA 35 2.416 3.318 5.790 239 HA ALA 35 HA ALA 35 2.755 5.923 4.830 240 1HB ALA 35 1HB ALA 35 4.185 3.567 3.655 241 2HB ALA 35 2HB ALA 35 4.509 4.104 5.302 242 3HB ALA 35 3HB ALA 35 4.788 5.197 3.947 243 H ALA 36 H ALA 36 2.052 2.925 3.033 244 HA ALA 36 HA ALA 36 1.858 4.033 0.488 245 1HB ALA 36 1HB ALA 36 0.042 2.068 0.304 246 2HB ALA 36 2HB ALA 36 0.831 1.594 1.808 247 3HB ALA 36 3HB ALA 36 1.780 1.771 0.331 248 H LYS 37 H LYS 37 -0.822 3.355 2.760 249 HA LYS 37 HA LYS 37 -2.840 4.547 1.261 250 1HB LYS 37 2HB LYS 37 -2.538 3.416 3.843 251 2HB LYS 37 1HB LYS 37 -3.317 4.979 4.043 252 1HG LYS 37 2HG LYS 37 -5.092 4.361 2.562 253 2HG LYS 37 1HG LYS 37 -4.269 2.856 2.139 254 1HD LYS 37 2HD LYS 37 -4.572 3.084 4.991 255 2HD LYS 37 1HD LYS 37 -6.134 3.256 4.183 256 1HE LYS 37 2HE LYS 37 -5.715 1.164 2.967 257 2HE LYS 37 1HE LYS 37 -4.171 1.000 3.799 258 1HZ LYS 37 1HZ LYS 37 -5.738 1.208 5.890 259 2HZ LYS 37 2HZ LYS 37 -5.459 -0.279 5.132 260 3HZ LYS 37 3HZ LYS 37 -6.880 0.581 4.809 261 H GLU 38 H GLU 38 -0.792 5.951 3.822 262 HA GLU 38 HA GLU 38 -1.920 8.520 3.762 263 1HB GLU 38 2HB GLU 38 0.397 7.237 4.921 264 2HB GLU 38 1HB GLU 38 0.785 8.861 4.368 265 1HG GLU 38 2HG GLU 38 -1.029 9.773 5.691 266 2HG GLU 38 1HG GLU 38 -1.483 8.148 6.210 267 H PHE 39 H PHE 39 0.792 7.142 1.967 268 HA PHE 39 HA PHE 39 1.613 9.473 0.645 269 1HB PHE 39 2HB PHE 39 2.455 6.868 0.714 270 2HB PHE 39 1HB PHE 39 1.800 6.986 -0.908 271 HD1 PHE 39 HD1 PHE 39 2.489 10.030 -1.114 272 HD2 PHE 39 HD2 PHE 39 4.727 6.559 -0.092 273 HE1 PHE 39 HE1 PHE 39 4.551 11.144 -1.863 274 HE2 PHE 39 HE2 PHE 39 6.794 7.667 -0.839 275 HZ PHE 39 HZ PHE 39 6.707 9.962 -1.726 276 H PHE 40 H PHE 40 -0.479 6.833 -0.465 277 HA PHE 40 HA PHE 40 -1.242 8.014 -2.892 278 1HB PHE 40 2HB PHE 40 -2.584 5.966 -1.139 279 2HB PHE 40 1HB PHE 40 -3.254 6.468 -2.685 280 HD1 PHE 40 HD1 PHE 40 -1.195 4.140 -1.089 281 HD2 PHE 40 HD2 PHE 40 -1.563 6.360 -4.699 282 HE1 PHE 40 HE1 PHE 40 0.237 2.503 -2.236 283 HE2 PHE 40 HE2 PHE 40 -0.134 4.726 -5.855 284 HZ PHE 40 HZ PHE 40 0.767 2.793 -4.624 285 H THR 41 H THR 41 -2.715 8.186 0.323 286 HA THR 41 HA THR 41 -5.115 9.379 -0.149 287 HB THR 41 HB THR 41 -3.137 10.108 2.018 288 HG1 THR 41 HG1 THR 41 -3.768 8.073 2.414 289 1HG2 THR 41 1HG2 THR 41 -6.089 10.732 1.902 290 2HG2 THR 41 2HG2 THR 41 -4.795 11.906 1.671 291 3HG2 THR 41 3HG2 THR 41 -4.988 11.100 3.228 292 H LYS 42 H LYS 42 -2.026 11.106 0.166 293 HA LYS 42 HA LYS 42 -2.989 13.684 -0.272 294 1HB LYS 42 2HB LYS 42 -0.313 12.780 -1.286 295 2HB LYS 42 1HB LYS 42 -0.760 14.334 -0.594 296 1HG LYS 42 2HG LYS 42 -1.136 13.151 1.582 297 2HG LYS 42 1HG LYS 42 -0.423 11.718 0.842 298 1HD LYS 42 2HD LYS 42 1.250 12.932 2.113 299 2HD LYS 42 1HD LYS 42 1.630 12.990 0.390 300 1HE LYS 42 2HE LYS 42 1.975 15.183 1.257 301 2HE LYS 42 1HE LYS 42 0.493 15.220 0.303 302 1HZ LYS 42 1HZ LYS 42 0.871 15.694 3.120 303 2HZ LYS 42 2HZ LYS 42 -0.413 14.641 2.785 304 3HZ LYS 42 3HZ LYS 42 -0.384 16.185 2.096 305 H SER 43 H SER 43 -2.481 11.098 -2.510 306 HA SER 43 HA SER 43 -2.211 12.633 -4.876 307 1HB SER 43 2HB SER 43 -1.637 10.198 -4.650 308 2HB SER 43 1HB SER 43 -3.364 9.847 -4.670 309 HG SER 43 HG SER 43 -1.734 10.867 -6.724 310 H LYS 44 H LYS 44 -5.070 11.093 -3.386 311 HA LYS 44 HA LYS 44 -6.982 12.896 -3.655 312 1HB LYS 44 2HB LYS 44 -6.350 13.319 -5.990 313 2HB LYS 44 1HB LYS 44 -6.724 11.648 -6.395 314 1HG LYS 44 2HG LYS 44 -9.057 12.014 -5.838 315 2HG LYS 44 1HG LYS 44 -8.699 13.674 -5.355 316 1HD LYS 44 2HD LYS 44 -7.852 14.053 -7.695 317 2HD LYS 44 1HD LYS 44 -8.516 12.470 -8.109 318 1HE LYS 44 2HE LYS 44 -10.741 13.219 -7.425 319 2HE LYS 44 1HE LYS 44 -10.079 14.794 -6.989 320 1HZ LYS 44 1HZ LYS 44 -9.361 14.992 -9.356 321 2HZ LYS 44 2HZ LYS 44 -11.036 15.005 -9.122 322 3HZ LYS 44 3HZ LYS 44 -10.273 13.608 -9.697 323 H LEU 45 H LEU 45 -6.428 9.617 -4.919 324 HA LEU 45 HA LEU 45 -9.001 8.617 -4.653 325 1HB LEU 45 2HB LEU 45 -6.334 7.258 -4.391 326 2HB LEU 45 1HB LEU 45 -7.837 6.374 -4.226 327 HG LEU 45 HG LEU 45 -8.433 7.262 -6.547 328 1HD1 LEU 45 1HD1 LEU 45 -7.050 8.737 -7.459 329 2HD1 LEU 45 2HD1 LEU 45 -5.849 7.449 -7.589 330 3HD1 LEU 45 3HD1 LEU 45 -5.864 8.501 -6.174 331 1HD2 LEU 45 1HD2 LEU 45 -6.329 5.582 -7.315 332 2HD2 LEU 45 2HD2 LEU 45 -7.997 5.127 -6.966 333 3HD2 LEU 45 3HD2 LEU 45 -6.784 5.072 -5.688 334 HA PRO 46 HA PRO 46 -9.559 8.607 -0.269 335 1HB PRO 46 2HB PRO 46 -11.884 7.249 -0.166 336 2HB PRO 46 1HB PRO 46 -11.782 8.921 -0.725 337 1HG PRO 46 2HG PRO 46 -11.994 6.400 -2.309 338 2HG PRO 46 1HG PRO 46 -12.770 7.967 -2.590 339 1HD PRO 46 2HD PRO 46 -10.539 7.094 -3.933 340 2HD PRO 46 1HD PRO 46 -10.951 8.805 -3.694 341 H ILE 47 H ILE 47 -9.624 7.180 1.523 342 HA ILE 47 HA ILE 47 -7.946 4.987 1.431 343 HB ILE 47 HB ILE 47 -10.172 5.459 3.425 344 1HG1 ILE 47 2HG1 ILE 47 -8.311 6.409 4.827 345 2HG1 ILE 47 1HG1 ILE 47 -7.270 6.327 3.413 346 1HG2 ILE 47 1HG2 ILE 47 -9.540 3.604 4.467 347 2HG2 ILE 47 2HG2 ILE 47 -7.862 4.145 4.498 348 3HG2 ILE 47 3HG2 ILE 47 -8.472 3.242 3.111 349 1HD1 ILE 47 1HD1 ILE 47 -9.662 7.731 2.739 350 2HD1 ILE 47 2HD1 ILE 47 -7.991 8.296 2.737 351 3HD1 ILE 47 3HD1 ILE 47 -8.962 8.415 4.204 352 H LEU 48 H LEU 48 -11.462 5.088 1.167 353 HA LEU 48 HA LEU 48 -12.178 2.463 1.398 354 1HB LEU 48 2HB LEU 48 -13.697 4.359 0.944 355 2HB LEU 48 1HB LEU 48 -13.136 4.386 -0.717 356 HG LEU 48 HG LEU 48 -14.044 2.076 -1.005 357 1HD1 LEU 48 1HD1 LEU 48 -15.846 1.532 0.773 358 2HD1 LEU 48 2HD1 LEU 48 -14.880 2.569 1.822 359 3HD1 LEU 48 3HD1 LEU 48 -14.160 1.129 1.103 360 1HD2 LEU 48 1HD2 LEU 48 -16.037 2.926 -1.664 361 2HD2 LEU 48 2HD2 LEU 48 -15.272 4.457 -1.244 362 3HD2 LEU 48 3HD2 LEU 48 -16.357 3.672 -0.097 363 H GLU 49 H GLU 49 -11.631 3.919 -1.828 364 HA GLU 49 HA GLU 49 -11.342 1.468 -3.154 365 1HB GLU 49 2HB GLU 49 -10.499 4.270 -3.812 366 2HB GLU 49 1HB GLU 49 -10.111 2.938 -4.895 367 1HG GLU 49 2HG GLU 49 -12.095 3.745 -5.756 368 2HG GLU 49 1HG GLU 49 -12.621 2.395 -4.749 369 H LEU 50 H LEU 50 -8.977 3.524 -1.572 370 HA LEU 50 HA LEU 50 -6.612 2.459 -2.511 371 1HB LEU 50 2HB LEU 50 -7.443 3.722 0.033 372 2HB LEU 50 1HB LEU 50 -5.948 2.810 0.073 373 HG LEU 50 HG LEU 50 -5.019 4.200 -1.708 374 1HD1 LEU 50 1HD1 LEU 50 -6.145 5.804 -2.862 375 2HD1 LEU 50 2HD1 LEU 50 -7.280 6.116 -1.548 376 3HD1 LEU 50 3HD1 LEU 50 -7.473 4.683 -2.558 377 1HD2 LEU 50 1HD2 LEU 50 -6.189 5.873 0.516 378 2HD2 LEU 50 2HD2 LEU 50 -4.771 6.262 -0.459 379 3HD2 LEU 50 3HD2 LEU 50 -4.734 4.883 0.640 380 H SER 51 H SER 51 -8.724 1.204 0.027 381 HA SER 51 HA SER 51 -7.149 -0.859 0.992 382 1HB SER 51 2HB SER 51 -10.137 -0.916 0.524 383 2HB SER 51 1HB SER 51 -9.243 -1.927 1.662 384 HG SER 51 HG SER 51 -9.918 0.776 1.812 385 H HIS 52 H HIS 52 -9.514 -1.030 -1.682 386 HA HIS 52 HA HIS 52 -9.032 -3.658 -2.452 387 1HB HIS 52 2HB HIS 52 -10.871 -2.259 -3.343 388 2HB HIS 52 1HB HIS 52 -9.696 -1.318 -4.256 389 HD1 HIS 52 HD1 HIS 52 -10.523 -5.054 -4.000 390 HD2 HIS 52 HD2 HIS 52 -9.660 -2.108 -6.802 391 HE1 HIS 52 HE1 HIS 52 -10.608 -6.180 -6.266 392 H ILE 53 H ILE 53 -7.410 -0.662 -3.449 393 HA ILE 53 HA ILE 53 -5.627 -1.745 -5.318 394 HB ILE 53 HB ILE 53 -5.031 0.531 -3.412 395 1HG1 ILE 53 2HG1 ILE 53 -6.472 0.506 -6.071 396 2HG1 ILE 53 1HG1 ILE 53 -7.098 1.049 -4.517 397 1HG2 ILE 53 1HG2 ILE 53 -3.040 0.451 -4.407 398 2HG2 ILE 53 2HG2 ILE 53 -3.856 1.076 -5.839 399 3HG2 ILE 53 3HG2 ILE 53 -3.609 -0.660 -5.651 400 1HD1 ILE 53 1HD1 ILE 53 -4.728 2.378 -5.753 401 2HD1 ILE 53 2HD1 ILE 53 -5.869 3.009 -4.565 402 3HD1 ILE 53 3HD1 ILE 53 -6.368 2.801 -6.245 403 H TRP 54 H TRP 54 -5.086 -1.086 -1.847 404 HA TRP 54 HA TRP 54 -2.544 -2.260 -1.665 405 1HB TRP 54 2HB TRP 54 -3.330 -0.864 0.126 406 2HB TRP 54 1HB TRP 54 -4.698 -1.939 0.426 407 HD1 TRP 54 HD1 TRP 54 -4.131 -4.371 1.519 408 HE1 TRP 54 HE1 TRP 54 -2.160 -5.108 3.002 409 HE3 TRP 54 HE3 TRP 54 -0.930 -0.477 0.643 410 HZ2 TRP 54 HZ2 TRP 54 0.408 -4.162 3.723 411 HZ3 TRP 54 HZ3 TRP 54 1.253 -0.465 1.766 412 HH2 TRP 54 HH2 TRP 54 1.911 -2.267 3.274 413 H GLU 55 H GLU 55 -5.709 -3.632 -0.807 414 HA GLU 55 HA GLU 55 -4.886 -6.154 -0.055 415 1HB GLU 55 2HB GLU 55 -7.415 -5.318 -1.485 416 2HB GLU 55 1HB GLU 55 -7.183 -6.881 -0.707 417 1HG GLU 55 2HG GLU 55 -7.163 -5.967 1.421 418 2HG GLU 55 1HG GLU 55 -6.789 -4.351 0.828 419 H LEU 56 H LEU 56 -5.781 -5.010 -3.303 420 HA LEU 56 HA LEU 56 -5.261 -7.480 -4.587 421 1HB LEU 56 2HB LEU 56 -5.742 -4.687 -5.420 422 2HB LEU 56 1HB LEU 56 -4.889 -5.694 -6.574 423 HG LEU 56 HG LEU 56 -6.745 -7.295 -6.560 424 1HD1 LEU 56 1HD1 LEU 56 -8.119 -5.322 -4.748 425 2HD1 LEU 56 2HD1 LEU 56 -7.461 -6.876 -4.237 426 3HD1 LEU 56 3HD1 LEU 56 -8.800 -6.820 -5.385 427 1HD2 LEU 56 1HD2 LEU 56 -6.683 -5.299 -8.100 428 2HD2 LEU 56 2HD2 LEU 56 -7.812 -4.514 -6.996 429 3HD2 LEU 56 3HD2 LEU 56 -8.278 -5.999 -7.826 430 H SER 57 H SER 57 -3.266 -4.712 -3.810 431 HA SER 57 HA SER 57 -1.013 -5.549 -5.357 432 1HB SER 57 2HB SER 57 -1.237 -3.550 -3.096 433 2HB SER 57 1HB SER 57 0.161 -3.743 -4.149 434 HG SER 57 HG SER 57 -2.438 -2.866 -4.847 435 H ASP 58 H ASP 58 -2.102 -6.069 -2.075 436 HA ASP 58 HA ASP 58 0.457 -7.280 -1.362 437 1HB ASP 58 2HB ASP 58 -1.051 -5.641 0.091 438 2HB ASP 58 1HB ASP 58 -1.851 -7.149 0.527 439 H PHE 59 H PHE 59 -0.288 -8.886 -3.151 440 HA PHE 59 HA PHE 59 -2.289 -10.760 -2.689 441 1HB PHE 59 2HB PHE 59 -0.148 -10.458 -4.530 442 2HB PHE 59 1HB PHE 59 -0.069 -12.098 -3.890 443 HD1 PHE 59 HD1 PHE 59 -2.959 -9.878 -4.680 444 HD2 PHE 59 HD2 PHE 59 -0.929 -13.531 -5.477 445 HE1 PHE 59 HE1 PHE 59 -4.776 -10.554 -6.193 446 HE2 PHE 59 HE2 PHE 59 -2.742 -14.213 -6.993 447 HZ PHE 59 HZ PHE 59 -4.670 -12.724 -7.351 448 H ASP 60 H ASP 60 0.365 -10.153 -0.800 449 HA ASP 60 HA ASP 60 0.580 -12.893 0.201 450 1HB ASP 60 2HB ASP 60 2.385 -11.752 1.671 451 2HB ASP 60 1HB ASP 60 2.716 -11.980 -0.042 452 H LYS 61 H LYS 61 -0.213 -9.613 1.293 453 HA LYS 61 HA LYS 61 -1.610 -8.895 2.940 454 1HB LYS 61 2HB LYS 61 -2.384 -11.699 2.718 455 2HB LYS 61 1HB LYS 61 -2.565 -11.079 4.355 456 1HG LYS 61 2HG LYS 61 -4.625 -10.779 3.161 457 2HG LYS 61 1HG LYS 61 -3.893 -9.199 3.456 458 1HD LYS 61 2HD LYS 61 -4.663 -9.177 1.213 459 2HD LYS 61 1HD LYS 61 -2.910 -9.349 1.138 460 1HE LYS 61 2HE LYS 61 -3.800 -10.880 -0.433 461 2HE LYS 61 1HE LYS 61 -3.281 -11.837 0.957 462 1HZ LYS 61 1HZ LYS 61 -6.054 -10.899 0.864 463 2HZ LYS 61 2HZ LYS 61 -5.418 -12.308 1.547 464 3HZ LYS 61 3HZ LYS 61 -5.614 -12.194 -0.129 465 H ASP 62 H ASP 62 1.025 -8.914 3.374 466 HA ASP 62 HA ASP 62 1.420 -9.987 6.090 467 1HB ASP 62 2HB ASP 62 3.803 -9.523 5.653 468 2HB ASP 62 1HB ASP 62 3.098 -10.568 4.419 469 H GLY 63 H GLY 63 -0.030 -7.467 5.021 470 1HA GLY 63 2HA GLY 63 -0.456 -5.356 5.830 471 2HA GLY 63 1HA GLY 63 0.496 -5.796 7.243 472 H ALA 64 H ALA 64 2.177 -6.177 4.338 473 HA ALA 64 HA ALA 64 3.270 -3.470 4.413 474 1HB ALA 64 1HB ALA 64 4.593 -5.126 5.876 475 2HB ALA 64 2HB ALA 64 5.476 -4.103 4.744 476 3HB ALA 64 3HB ALA 64 5.162 -5.791 4.343 477 H LEU 65 H LEU 65 3.856 -2.696 2.447 478 HA LEU 65 HA LEU 65 3.302 -4.413 0.175 479 1HB LEU 65 2HB LEU 65 2.774 -1.717 0.780 480 2HB LEU 65 1HB LEU 65 3.902 -1.718 -0.561 481 HG LEU 65 HG LEU 65 2.400 -3.077 -1.881 482 1HD1 LEU 65 1HD1 LEU 65 -0.014 -3.002 -0.457 483 2HD1 LEU 65 2HD1 LEU 65 1.196 -3.641 0.656 484 3HD1 LEU 65 3HD1 LEU 65 0.932 -4.422 -0.904 485 1HD2 LEU 65 1HD2 LEU 65 0.710 -1.460 -2.303 486 2HD2 LEU 65 2HD2 LEU 65 2.151 -0.582 -1.790 487 3HD2 LEU 65 3HD2 LEU 65 0.818 -0.828 -0.660 488 H THR 66 H THR 66 4.881 -5.336 -0.895 489 HA THR 66 HA THR 66 7.632 -4.661 -0.473 490 HB THR 66 HB THR 66 8.171 -6.454 -1.929 491 HG1 THR 66 HG1 THR 66 6.292 -7.430 -3.154 492 1HG2 THR 66 1HG2 THR 66 7.434 -7.961 -0.460 493 2HG2 THR 66 2HG2 THR 66 5.810 -7.864 -1.139 494 3HG2 THR 66 3HG2 THR 66 6.291 -6.766 0.153 495 H LEU 67 H LEU 67 9.105 -3.790 -1.991 496 HA LEU 67 HA LEU 67 8.334 -1.586 -3.384 497 1HB LEU 67 2HB LEU 67 10.705 -2.539 -2.985 498 2HB LEU 67 1HB LEU 67 10.474 -3.372 -4.513 499 HG LEU 67 HG LEU 67 10.409 -0.382 -4.104 500 1HD1 LEU 67 1HD1 LEU 67 12.417 -2.098 -5.556 501 2HD1 LEU 67 2HD1 LEU 67 12.660 -1.379 -3.964 502 3HD1 LEU 67 3HD1 LEU 67 12.459 -0.344 -5.378 503 1HD2 LEU 67 1HD2 LEU 67 8.870 -0.968 -5.831 504 2HD2 LEU 67 2HD2 LEU 67 10.041 -2.063 -6.571 505 3HD2 LEU 67 3HD2 LEU 67 10.328 -0.321 -6.583 506 H ASP 68 H ASP 68 8.379 -4.934 -4.640 507 HA ASP 68 HA ASP 68 7.605 -4.307 -7.252 508 1HB ASP 68 2HB ASP 68 7.725 -6.704 -5.554 509 2HB ASP 68 1HB ASP 68 6.499 -6.754 -6.804 510 H GLU 69 H GLU 69 5.687 -5.196 -4.377 511 HA GLU 69 HA GLU 69 3.145 -4.960 -5.506 512 1HB GLU 69 2HB GLU 69 4.150 -4.413 -2.700 513 2HB GLU 69 1HB GLU 69 2.445 -4.354 -3.128 514 1HG GLU 69 2HG GLU 69 2.456 -6.682 -3.712 515 2HG GLU 69 1HG GLU 69 4.196 -6.777 -3.496 516 H PHE 70 H PHE 70 5.398 -2.597 -4.243 517 HA PHE 70 HA PHE 70 3.756 -0.314 -4.294 518 1HB PHE 70 2HB PHE 70 5.713 0.000 -3.093 519 2HB PHE 70 1HB PHE 70 6.689 -0.861 -4.266 520 HD1 PHE 70 HD1 PHE 70 4.426 1.897 -5.205 521 HD2 PHE 70 HD2 PHE 70 8.429 0.727 -4.336 522 HE1 PHE 70 HE1 PHE 70 5.248 4.026 -6.134 523 HE2 PHE 70 HE2 PHE 70 9.253 2.842 -5.274 524 HZ PHE 70 HZ PHE 70 7.668 4.501 -6.159 525 H CYS 71 H CYS 71 6.138 -1.485 -6.663 526 HA CYS 71 HA CYS 71 5.787 0.453 -8.616 527 1HB CYS 71 2HB CYS 71 6.766 -2.346 -8.583 528 2HB CYS 71 1HB CYS 71 6.353 -1.679 -10.156 529 HG CYS 71 HG CYS 71 8.818 -0.747 -8.011 530 H ALA 72 H ALA 72 4.086 -2.647 -8.283 531 HA ALA 72 HA ALA 72 2.417 -2.243 -10.545 532 1HB ALA 72 1HB ALA 72 1.129 -3.910 -8.611 533 2HB ALA 72 2HB ALA 72 2.848 -4.301 -8.677 534 3HB ALA 72 3HB ALA 72 1.875 -4.354 -10.146 535 H ALA 73 H ALA 73 1.907 -1.723 -7.072 536 HA ALA 73 HA ALA 73 -0.760 -0.934 -7.145 537 1HB ALA 73 1HB ALA 73 1.394 0.063 -5.287 538 2HB ALA 73 2HB ALA 73 0.487 -1.439 -5.096 539 3HB ALA 73 3HB ALA 73 -0.346 0.111 -4.999 540 H PHE 74 H PHE 74 2.113 1.207 -7.115 541 HA PHE 74 HA PHE 74 0.716 3.603 -7.376 542 1HB PHE 74 2HB PHE 74 3.242 3.183 -6.954 543 2HB PHE 74 1HB PHE 74 3.377 3.207 -8.711 544 HD1 PHE 74 HD1 PHE 74 3.550 5.221 -9.840 545 HD2 PHE 74 HD2 PHE 74 2.150 5.199 -5.835 546 HE1 PHE 74 HE1 PHE 74 3.646 7.674 -9.809 547 HE2 PHE 74 HE2 PHE 74 2.235 7.657 -5.788 548 HZ PHE 74 HZ PHE 74 2.984 8.898 -7.779 549 H HIS 75 H HIS 75 2.208 1.645 -9.960 550 HA HIS 75 HA HIS 75 1.391 3.189 -12.138 551 1HB HIS 75 2HB HIS 75 2.737 0.798 -11.703 552 2HB HIS 75 1HB HIS 75 1.325 0.320 -12.625 553 HD1 HIS 75 HD1 HIS 75 1.018 2.244 -14.804 554 HD2 HIS 75 HD2 HIS 75 4.775 1.239 -13.350 555 HE1 HIS 75 HE1 HIS 75 2.658 2.763 -16.657 556 H LEU 76 H LEU 76 -0.131 0.281 -10.773 557 HA LEU 76 HA LEU 76 -2.362 0.132 -12.347 558 1HB LEU 76 2HB LEU 76 -1.586 -1.455 -10.540 559 2HB LEU 76 1HB LEU 76 -2.324 -0.369 -9.375 560 HG LEU 76 HG LEU 76 -4.162 -1.062 -11.479 561 1HD1 LEU 76 1HD1 LEU 76 -2.457 -3.156 -10.723 562 2HD1 LEU 76 2HD1 LEU 76 -3.957 -3.264 -11.645 563 3HD1 LEU 76 3HD1 LEU 76 -3.986 -3.437 -9.891 564 1HD2 LEU 76 1HD2 LEU 76 -5.515 -1.755 -9.476 565 2HD2 LEU 76 2HD2 LEU 76 -4.945 -0.085 -9.463 566 3HD2 LEU 76 3HD2 LEU 76 -4.128 -1.304 -8.483 567 H VAL 77 H VAL 77 -1.931 2.001 -9.347 568 HA VAL 77 HA VAL 77 -4.451 3.084 -9.073 569 HB VAL 77 HB VAL 77 -1.800 4.462 -8.612 570 1HG1 VAL 77 1HG1 VAL 77 -4.473 5.486 -8.474 571 2HG1 VAL 77 2HG1 VAL 77 -2.945 6.312 -8.166 572 3HG1 VAL 77 3HG1 VAL 77 -3.763 5.453 -6.861 573 1HG2 VAL 77 1HG2 VAL 77 -1.605 3.036 -6.919 574 2HG2 VAL 77 2HG2 VAL 77 -3.211 2.372 -7.221 575 3HG2 VAL 77 3HG2 VAL 77 -3.021 3.791 -6.190 576 H VAL 78 H VAL 78 -1.855 4.044 -11.213 577 HA VAL 78 HA VAL 78 -2.733 6.445 -12.211 578 HB VAL 78 HB VAL 78 -1.457 4.173 -13.733 579 1HG1 VAL 78 1HG1 VAL 78 -2.359 5.815 -15.267 580 2HG1 VAL 78 2HG1 VAL 78 -0.598 5.902 -15.236 581 3HG1 VAL 78 3HG1 VAL 78 -1.555 7.113 -14.384 582 1HG2 VAL 78 1HG2 VAL 78 0.630 5.554 -13.264 583 2HG2 VAL 78 2HG2 VAL 78 -0.064 4.655 -11.914 584 3HG2 VAL 78 3HG2 VAL 78 -0.339 6.393 -12.050 585 H ALA 79 H ALA 79 -3.821 3.200 -13.143 586 HA ALA 79 HA ALA 79 -5.414 3.974 -15.341 587 1HB ALA 79 1HB ALA 79 -5.156 1.759 -15.477 588 2HB ALA 79 2HB ALA 79 -6.616 1.703 -14.490 589 3HB ALA 79 3HB ALA 79 -5.031 1.559 -13.729 590 H ARG 80 H ARG 80 -6.241 3.552 -11.911 591 HA ARG 80 HA ARG 80 -8.980 3.691 -11.986 592 1HB ARG 80 2HB ARG 80 -7.846 3.352 -9.898 593 2HB ARG 80 1HB ARG 80 -7.078 4.931 -9.992 594 1HG ARG 80 2HG ARG 80 -8.749 5.360 -8.490 595 2HG ARG 80 1HG ARG 80 -9.560 5.783 -9.996 596 1HD ARG 80 2HD ARG 80 -9.759 3.066 -8.719 597 2HD ARG 80 1HD ARG 80 -10.896 4.374 -8.388 598 HE ARG 80 HE ARG 80 -10.676 3.934 -11.178 599 1HH1 ARG 80 2HH1 ARG 80 -12.125 2.636 -8.320 600 2HH1 ARG 80 1HH1 ARG 80 -13.348 1.768 -9.184 601 1HH2 ARG 80 1HH2 ARG 80 -12.306 2.810 -12.297 602 2HH2 ARG 80 2HH2 ARG 80 -13.456 1.864 -11.404 603 H LYS 81 H LYS 81 -6.701 6.354 -12.359 604 HA LYS 81 HA LYS 81 -8.739 8.376 -12.242 605 1HB LYS 81 2HB LYS 81 -5.851 8.480 -13.092 606 2HB LYS 81 1HB LYS 81 -6.904 9.888 -13.060 607 1HG LYS 81 2HG LYS 81 -7.302 9.336 -10.608 608 2HG LYS 81 1HG LYS 81 -5.928 8.236 -10.758 609 1HD LYS 81 2HD LYS 81 -4.509 10.071 -11.477 610 2HD LYS 81 1HD LYS 81 -5.877 11.183 -11.403 611 1HE LYS 81 2HE LYS 81 -6.057 10.495 -8.944 612 2HE LYS 81 1HE LYS 81 -4.443 9.811 -9.151 613 1HZ LYS 81 1HZ LYS 81 -3.505 11.830 -9.188 614 2HZ LYS 81 2HZ LYS 81 -4.933 12.352 -8.448 615 3HZ LYS 81 3HZ LYS 81 -4.740 12.518 -10.119 616 H ASN 82 H ASN 82 -7.828 6.225 -14.674 617 HA ASN 82 HA ASN 82 -9.622 7.302 -16.541 618 1HB ASN 82 2HB ASN 82 -7.114 8.611 -16.545 619 2HB ASN 82 1HB ASN 82 -7.194 7.635 -18.011 620 1HD2 ASN 82 1HD2 ASN 82 -8.283 10.418 -16.414 621 2HD2 ASN 82 2HD2 ASN 82 -9.357 10.984 -17.645 622 H GLY 83 H GLY 83 -9.484 4.796 -15.749 623 1HA GLY 83 2HA GLY 83 -8.414 3.381 -18.106 624 2HA GLY 83 1HA GLY 83 -8.167 2.739 -16.488 625 H TYR 84 H TYR 84 -9.468 1.086 -16.092 626 HA TYR 84 HA TYR 84 -12.286 1.314 -16.850 627 1HB TYR 84 2HB TYR 84 -10.636 -1.193 -17.260 628 2HB TYR 84 1HB TYR 84 -12.342 -0.977 -17.657 629 HD1 TYR 84 HD1 TYR 84 -12.963 -0.177 -19.782 630 HD2 TYR 84 HD2 TYR 84 -8.954 0.324 -18.443 631 HE1 TYR 84 HE1 TYR 84 -12.331 0.684 -22.000 632 HE2 TYR 84 HE2 TYR 84 -8.313 1.183 -20.654 633 HH TYR 84 HH TYR 84 -10.601 2.074 -23.017 634 H ASP 85 H ASP 85 -13.697 0.580 -15.310 635 HA ASP 85 HA ASP 85 -12.940 0.491 -12.704 636 1HB ASP 85 2HB ASP 85 -15.326 0.489 -13.821 637 2HB ASP 85 1HB ASP 85 -15.260 -1.233 -13.425 638 H LEU 86 H LEU 86 -12.562 -1.029 -11.138 639 HA LEU 86 HA LEU 86 -10.979 -3.232 -11.940 640 1HB LEU 86 2HB LEU 86 -12.072 -2.416 -9.258 641 2HB LEU 86 1HB LEU 86 -10.975 -3.767 -9.484 642 HG LEU 86 HG LEU 86 -9.767 -1.784 -8.742 643 1HD1 LEU 86 1HD1 LEU 86 -9.038 -2.124 -11.623 644 2HD1 LEU 86 2HD1 LEU 86 -8.869 -3.467 -10.493 645 3HD1 LEU 86 3HD1 LEU 86 -7.988 -1.963 -10.215 646 1HD2 LEU 86 1HD2 LEU 86 -10.554 -0.466 -11.328 647 2HD2 LEU 86 2HD2 LEU 86 -9.706 0.244 -9.955 648 3HD2 LEU 86 3HD2 LEU 86 -11.411 -0.181 -9.814 649 HA PRO 87 HA PRO 87 -13.955 -6.441 -12.503 650 1HB PRO 87 2HB PRO 87 -12.302 -8.563 -12.023 651 2HB PRO 87 1HB PRO 87 -12.309 -7.651 -13.536 652 1HG PRO 87 2HG PRO 87 -10.478 -7.389 -11.177 653 2HG PRO 87 1HG PRO 87 -10.077 -7.404 -12.905 654 1HD PRO 87 2HD PRO 87 -10.207 -5.109 -11.532 655 2HD PRO 87 1HD PRO 87 -10.772 -5.212 -13.215 656 H GLU 88 H GLU 88 -12.123 -6.104 -9.554 657 HA GLU 88 HA GLU 88 -12.737 -6.479 -7.378 658 1HB GLU 88 2HB GLU 88 -15.100 -6.075 -8.283 659 2HB GLU 88 1HB GLU 88 -15.247 -7.824 -8.362 660 1HG GLU 88 2HG GLU 88 -14.870 -7.982 -5.964 661 2HG GLU 88 1HG GLU 88 -14.688 -6.229 -5.870 662 H LYS 89 H LYS 89 -12.442 -8.193 -5.911 663 HA LYS 89 HA LYS 89 -12.612 -10.934 -6.719 664 1HB LYS 89 2HB LYS 89 -10.266 -9.561 -7.443 665 2HB LYS 89 1HB LYS 89 -9.828 -10.583 -6.083 666 1HG LYS 89 2HG LYS 89 -11.368 -11.731 -8.371 667 2HG LYS 89 1HG LYS 89 -9.627 -11.480 -8.510 668 1HD LYS 89 2HD LYS 89 -9.404 -13.488 -7.544 669 2HD LYS 89 1HD LYS 89 -9.901 -12.697 -6.049 670 1HE LYS 89 2HE LYS 89 -11.875 -13.863 -7.991 671 2HE LYS 89 1HE LYS 89 -11.149 -14.812 -6.694 672 1HZ LYS 89 1HZ LYS 89 -11.995 -12.593 -5.442 673 2HZ LYS 89 2HZ LYS 89 -12.825 -14.054 -5.470 674 3HZ LYS 89 3HZ LYS 89 -13.223 -12.833 -6.570 675 H LEU 90 H LEU 90 -11.026 -8.704 -4.431 676 HA LEU 90 HA LEU 90 -10.824 -10.658 -2.373 677 1HB LEU 90 2HB LEU 90 -9.685 -8.264 -2.813 678 2HB LEU 90 1HB LEU 90 -10.921 -7.783 -1.668 679 HG LEU 90 HG LEU 90 -8.769 -8.227 -0.576 680 1HD1 LEU 90 1HD1 LEU 90 -11.253 -9.059 0.243 681 2HD1 LEU 90 2HD1 LEU 90 -9.805 -8.951 1.247 682 3HD1 LEU 90 3HD1 LEU 90 -10.245 -10.486 0.496 683 1HD2 LEU 90 1HD2 LEU 90 -7.505 -10.005 -1.009 684 2HD2 LEU 90 2HD2 LEU 90 -8.610 -10.366 -2.336 685 3HD2 LEU 90 3HD2 LEU 90 -8.852 -11.115 -0.758 686 HA PRO 91 HA PRO 91 -15.159 -10.204 -1.159 687 1HB PRO 91 2HB PRO 91 -15.356 -12.432 0.306 688 2HB PRO 91 1HB PRO 91 -15.252 -12.502 -1.457 689 1HG PRO 91 2HG PRO 91 -13.133 -13.001 0.590 690 2HG PRO 91 1HG PRO 91 -13.455 -13.864 -0.925 691 1HD PRO 91 2HD PRO 91 -11.505 -11.920 -0.589 692 2HD PRO 91 1HD PRO 91 -12.199 -12.403 -2.148 693 H GLU 92 H GLU 92 -16.237 -10.758 1.185 694 HA GLU 92 HA GLU 92 -15.157 -8.804 2.953 695 1HB GLU 92 2HB GLU 92 -17.614 -9.505 2.624 696 2HB GLU 92 1HB GLU 92 -17.241 -10.853 3.690 697 1HG GLU 92 2HG GLU 92 -16.704 -8.024 4.515 698 2HG GLU 92 1HG GLU 92 -18.300 -8.751 4.697 699 H SER 93 H SER 93 -15.961 -12.163 3.814 700 HA SER 93 HA SER 93 -13.310 -12.482 5.014 701 1HB SER 93 2HB SER 93 -14.579 -11.764 6.901 702 2HB SER 93 1HB SER 93 -15.933 -12.812 6.478 703 HG SER 93 HG SER 93 -14.078 -13.399 8.133 704 H LEU 94 H LEU 94 -14.238 -13.595 2.645 705 HA LEU 94 HA LEU 94 -14.841 -16.385 3.303 706 1HB LEU 94 2HB LEU 94 -14.975 -14.799 0.755 707 2HB LEU 94 1HB LEU 94 -15.023 -16.553 0.742 708 HG LEU 94 HG LEU 94 -17.267 -15.533 0.635 709 1HD1 LEU 94 1HD1 LEU 94 -16.410 -17.331 2.837 710 2HD1 LEU 94 2HD1 LEU 94 -17.456 -17.653 1.455 711 3HD1 LEU 94 3HD1 LEU 94 -18.075 -16.752 2.840 712 1HD2 LEU 94 1HD2 LEU 94 -18.198 -14.367 2.518 713 2HD2 LEU 94 2HD2 LEU 94 -16.716 -13.545 2.028 714 3HD2 LEU 94 3HD2 LEU 94 -16.715 -14.593 3.446 715 H MET 95 H MET 95 -12.410 -14.353 1.799 716 HA MET 95 HA MET 95 -10.622 -16.669 1.580 717 1HB MET 95 2HB MET 95 -10.593 -14.052 0.070 718 2HB MET 95 1HB MET 95 -9.425 -15.342 -0.119 719 1HG MET 95 2HG MET 95 -11.294 -16.836 -0.820 720 2HG MET 95 1HG MET 95 -12.344 -15.421 -0.799 721 1HE MET 95 1HE MET 95 -9.053 -16.924 -2.344 722 2HE MET 95 2HE MET 95 -8.588 -15.316 -1.788 723 3HE MET 95 3HE MET 95 -8.631 -15.669 -3.514 724 HA PRO 96 HA PRO 96 -8.942 -13.462 4.649 725 1HB PRO 96 2HB PRO 96 -9.367 -14.711 6.981 726 2HB PRO 96 1HB PRO 96 -10.625 -13.732 6.214 727 1HG PRO 96 2HG PRO 96 -10.262 -16.709 6.176 728 2HG PRO 96 1HG PRO 96 -11.740 -15.770 6.459 729 1HD PRO 96 2HD PRO 96 -11.128 -16.875 4.048 730 2HD PRO 96 1HD PRO 96 -12.069 -15.378 4.213 731 H LYS 97 HN LYS 97 -6.861 -13.569 5.472 732 HA LYS 97 HA LYS 97 -5.627 -16.211 5.736 733 1HB LYS 97 2HB LYS 97 -4.269 -14.020 4.180 734 2HB LYS 97 1HB LYS 97 -3.815 -15.716 4.292 735 1HG LYS 97 2HG LYS 97 -5.878 -16.313 3.065 736 2HG LYS 97 1HG LYS 97 -6.231 -14.593 2.878 737 1HD LYS 97 2HD LYS 97 -5.169 -15.048 0.882 738 2HD LYS 97 1HD LYS 97 -3.807 -14.527 1.875 739 1HE LYS 97 2HE LYS 97 -3.176 -16.526 0.695 740 2HE LYS 97 1HE LYS 97 -3.346 -16.902 2.409 741 1HZ LYS 97 1HZ LYS 97 -4.399 -18.434 0.588 742 2HZ LYS 97 2HZ LYS 97 -5.664 -17.313 0.659 743 3HZ LYS 97 3HZ LYS 97 -5.202 -18.155 2.052 Start of MODEL 20 1 1H TRP 6 1H TRP 6 -0.522 -2.385 -15.951 2 2H TRP 6 2H TRP 6 0.779 -3.424 -15.642 3 3H TRP 6 3H TRP 6 -0.806 -4.026 -15.651 4 HA TRP 6 HA TRP 6 -0.360 -4.646 -17.734 5 1HB TRP 6 2HB TRP 6 -0.534 -1.667 -18.268 6 2HB TRP 6 1HB TRP 6 -1.067 -2.978 -19.322 7 HD1 TRP 6 HD1 TRP 6 -3.473 -3.959 -18.920 8 HE1 TRP 6 HE1 TRP 6 -5.408 -3.348 -17.333 9 HE3 TRP 6 HE3 TRP 6 -1.013 -0.686 -15.862 10 HZ2 TRP 6 HZ2 TRP 6 -5.834 -1.687 -15.089 11 HZ3 TRP 6 HZ3 TRP 6 -2.255 0.379 -14.032 12 HH2 TRP 6 HH2 TRP 6 -4.616 -0.113 -13.649 13 H LYS 7 H LYS 7 0.921 -3.208 -19.923 14 HA LYS 7 HA LYS 7 3.570 -4.002 -19.476 15 1HB LYS 7 2HB LYS 7 2.800 -3.787 -21.741 16 2HB LYS 7 1HB LYS 7 2.448 -2.077 -21.512 17 1HG LYS 7 2HG LYS 7 4.748 -1.523 -21.405 18 2HG LYS 7 1HG LYS 7 5.219 -3.220 -21.275 19 1HD LYS 7 2HD LYS 7 3.781 -2.096 -23.669 20 2HD LYS 7 1HD LYS 7 5.542 -2.150 -23.544 21 1HE LYS 7 2HE LYS 7 5.482 -4.560 -23.315 22 2HE LYS 7 1HE LYS 7 3.719 -4.543 -23.316 23 1HZ LYS 7 1HZ LYS 7 3.845 -3.581 -25.584 24 2HZ LYS 7 2HZ LYS 7 4.460 -5.155 -25.474 25 3HZ LYS 7 3HZ LYS 7 5.518 -3.838 -25.566 26 H ILE 8 H ILE 8 5.093 -3.141 -18.278 27 HA ILE 8 HA ILE 8 4.793 -0.377 -17.363 28 HB ILE 8 HB ILE 8 6.618 -2.556 -16.351 29 1HG1 ILE 8 2HG1 ILE 8 4.012 -1.514 -15.224 30 2HG1 ILE 8 1HG1 ILE 8 4.231 -3.070 -16.019 31 1HG2 ILE 8 1HG2 ILE 8 7.678 -0.817 -15.423 32 2HG2 ILE 8 2HG2 ILE 8 6.300 -0.770 -14.322 33 3HG2 ILE 8 3HG2 ILE 8 6.338 0.290 -15.731 34 1HD1 ILE 8 1HD1 ILE 8 6.057 -3.394 -14.172 35 2HD1 ILE 8 2HD1 ILE 8 4.350 -3.686 -13.830 36 3HD1 ILE 8 3HD1 ILE 8 5.106 -2.170 -13.331 37 H THR 9 H THR 9 6.161 1.212 -17.967 38 HA THR 9 HA THR 9 8.418 0.456 -19.681 39 HB THR 9 HB THR 9 7.380 3.258 -19.224 40 HG1 THR 9 HG1 THR 9 5.719 2.389 -20.315 41 1HG2 THR 9 1HG2 THR 9 9.061 3.908 -20.536 42 2HG2 THR 9 2HG2 THR 9 8.624 2.719 -21.762 43 3HG2 THR 9 3HG2 THR 9 9.703 2.267 -20.443 44 H ASP 10 H ASP 10 10.501 0.774 -19.092 45 HA ASP 10 HA ASP 10 11.262 0.999 -16.474 46 1HB ASP 10 2HB ASP 10 12.567 0.893 -18.982 47 2HB ASP 10 1HB ASP 10 13.308 2.212 -18.078 48 H GLU 11 H GLU 11 10.577 3.599 -18.744 49 HA GLU 11 HA GLU 11 11.613 5.782 -17.363 50 1HB GLU 11 2HB GLU 11 9.468 5.325 -19.350 51 2HB GLU 11 1HB GLU 11 9.334 6.800 -18.415 52 1HG GLU 11 2HG GLU 11 11.858 6.056 -19.840 53 2HG GLU 11 1HG GLU 11 10.548 6.926 -20.639 54 H GLN 12 H GLN 12 8.297 4.468 -17.227 55 HA GLN 12 HA GLN 12 7.464 6.065 -15.051 56 1HB GLN 12 2HB GLN 12 6.429 3.695 -16.529 57 2HB GLN 12 1HB GLN 12 5.709 4.073 -14.976 58 1HG GLN 12 2HG GLN 12 5.070 6.258 -15.739 59 2HG GLN 12 1HG GLN 12 5.953 6.029 -17.247 60 1HE2 GLN 12 1HE2 GLN 12 4.531 5.874 -18.826 61 2HE2 GLN 12 2HE2 GLN 12 3.098 4.913 -18.808 62 H ARG 13 H ARG 13 8.911 2.894 -15.364 63 HA ARG 13 HA ARG 13 8.509 1.916 -12.792 64 1HB ARG 13 2HB ARG 13 9.416 0.628 -14.700 65 2HB ARG 13 1HB ARG 13 10.923 1.530 -14.568 66 1HG ARG 13 2HG ARG 13 11.237 0.647 -12.306 67 2HG ARG 13 1HG ARG 13 9.747 -0.279 -12.462 68 1HD ARG 13 2HD ARG 13 10.731 -1.445 -14.402 69 2HD ARG 13 1HD ARG 13 12.246 -0.578 -14.132 70 HE ARG 13 HE ARG 13 11.384 -1.961 -11.802 71 1HH1 ARG 13 2HH1 ARG 13 12.957 -2.304 -14.845 72 2HH1 ARG 13 1HH1 ARG 13 13.824 -3.728 -14.383 73 1HH2 ARG 13 1HH2 ARG 13 12.533 -3.800 -11.168 74 2HH2 ARG 13 2HH2 ARG 13 13.587 -4.568 -12.300 75 H GLN 14 H GLN 14 11.267 3.822 -14.047 76 HA GLN 14 HA GLN 14 12.529 4.041 -11.503 77 1HB GLN 14 2HB GLN 14 13.118 4.688 -14.185 78 2HB GLN 14 1HB GLN 14 13.220 6.185 -13.281 79 1HG GLN 14 2HG GLN 14 15.307 5.555 -12.826 80 2HG GLN 14 1HG GLN 14 14.572 4.443 -11.673 81 1HE2 GLN 14 1HE2 GLN 14 15.255 2.429 -11.839 82 2HE2 GLN 14 2HE2 GLN 14 15.819 1.667 -13.282 83 H TYR 15 H TYR 15 10.376 6.123 -13.375 84 HA TYR 15 HA TYR 15 10.477 8.498 -12.058 85 1HB TYR 15 2HB TYR 15 8.944 7.790 -13.970 86 2HB TYR 15 1HB TYR 15 7.843 7.198 -12.729 87 HD1 TYR 15 HD1 TYR 15 6.648 8.760 -11.278 88 HD2 TYR 15 HD2 TYR 15 9.282 10.156 -14.313 89 HE1 TYR 15 HE1 TYR 15 5.669 11.010 -11.081 90 HE2 TYR 15 HE2 TYR 15 8.317 12.410 -14.125 91 HH TYR 15 HH TYR 15 7.080 13.767 -12.616 92 H TYR 16 H TYR 16 8.498 5.709 -11.031 93 HA TYR 16 HA TYR 16 7.443 6.916 -8.706 94 1HB TYR 16 2HB TYR 16 7.955 3.966 -9.059 95 2HB TYR 16 1HB TYR 16 6.728 4.732 -8.062 96 HD1 TYR 16 HD1 TYR 16 6.670 2.598 -10.409 97 HD2 TYR 16 HD2 TYR 16 5.667 6.721 -10.096 98 HE1 TYR 16 HE1 TYR 16 5.053 2.333 -12.235 99 HE2 TYR 16 HE2 TYR 16 4.042 6.467 -11.929 100 HH TYR 16 HH TYR 16 3.160 5.087 -13.442 101 H VAL 17 H VAL 17 10.049 4.507 -9.027 102 HA VAL 17 HA VAL 17 10.812 4.341 -6.379 103 HB VAL 17 HB VAL 17 12.617 4.184 -8.799 104 1HG1 VAL 17 1HG1 VAL 17 13.967 4.418 -6.848 105 2HG1 VAL 17 2HG1 VAL 17 13.991 2.716 -7.311 106 3HG1 VAL 17 3HG1 VAL 17 12.990 3.249 -5.961 107 1HG2 VAL 17 1HG2 VAL 17 10.813 2.628 -9.030 108 2HG2 VAL 17 2HG2 VAL 17 10.995 2.089 -7.362 109 3HG2 VAL 17 3HG2 VAL 17 12.250 1.727 -8.546 110 H ASN 18 H ASN 18 12.020 6.578 -8.856 111 HA ASN 18 HA ASN 18 14.011 7.874 -7.512 112 1HB ASN 18 2HB ASN 18 12.271 8.436 -9.725 113 2HB ASN 18 1HB ASN 18 12.497 9.898 -8.775 114 1HD2 ASN 18 1HD2 ASN 18 14.037 11.100 -9.594 115 2HD2 ASN 18 2HD2 ASN 18 15.516 10.535 -10.281 116 H GLN 19 H GLN 19 10.565 8.129 -6.992 117 HA GLN 19 HA GLN 19 10.978 10.234 -4.990 118 1HB GLN 19 2HB GLN 19 8.421 9.149 -6.176 119 2HB GLN 19 1HB GLN 19 8.552 10.532 -5.093 120 1HG GLN 19 2HG GLN 19 9.850 11.737 -6.745 121 2HG GLN 19 1HG GLN 19 9.807 10.340 -7.821 122 1HE2 GLN 19 1HE2 GLN 19 8.374 10.454 -9.360 123 2HE2 GLN 19 2HE2 GLN 19 6.891 11.338 -9.317 124 H PHE 20 H PHE 20 9.167 7.167 -5.306 125 HA PHE 20 HA PHE 20 8.508 6.875 -2.611 126 1HB PHE 20 2HB PHE 20 8.323 5.286 -4.968 127 2HB PHE 20 1HB PHE 20 8.921 4.287 -3.643 128 HD1 PHE 20 HD1 PHE 20 6.406 7.013 -4.054 129 HD2 PHE 20 HD2 PHE 20 7.297 3.152 -2.509 130 HE1 PHE 20 HE1 PHE 20 4.137 6.870 -3.115 131 HE2 PHE 20 HE2 PHE 20 5.028 2.999 -1.570 132 HZ PHE 20 HZ PHE 20 3.450 4.863 -1.871 133 H LYS 21 H LYS 21 11.502 6.400 -4.229 134 HA LYS 21 HA LYS 21 12.898 4.547 -2.843 135 1HB LYS 21 2HB LYS 21 13.531 6.862 -4.374 136 2HB LYS 21 1HB LYS 21 14.561 6.868 -2.951 137 1HG LYS 21 2HG LYS 21 15.394 4.676 -3.490 138 2HG LYS 21 1HG LYS 21 14.286 4.560 -4.860 139 1HD LYS 21 2HD LYS 21 15.383 6.553 -5.850 140 2HD LYS 21 1HD LYS 21 16.553 6.522 -4.527 141 1HE LYS 21 2HE LYS 21 17.325 4.337 -5.210 142 2HE LYS 21 1HE LYS 21 16.085 4.257 -6.461 143 1HZ LYS 21 1HZ LYS 21 17.913 6.533 -6.523 144 2HZ LYS 21 2HZ LYS 21 17.209 5.678 -7.801 145 3HZ LYS 21 3HZ LYS 21 18.534 5.026 -6.977 146 H THR 22 H THR 22 11.931 7.716 -1.673 147 HA THR 22 HA THR 22 13.464 8.088 0.549 148 HB THR 22 HB THR 22 10.458 8.421 0.573 149 HG1 THR 22 HG1 THR 22 12.497 10.140 -0.446 150 1HG2 THR 22 1HG2 THR 22 12.287 10.343 1.891 151 2HG2 THR 22 2HG2 THR 22 12.133 8.754 2.642 152 3HG2 THR 22 3HG2 THR 22 10.703 9.754 2.397 153 H ILE 23 H ILE 23 10.886 5.756 0.119 154 HA ILE 23 HA ILE 23 11.516 4.644 2.775 155 HB ILE 23 HB ILE 23 8.875 4.493 1.319 156 1HG1 ILE 23 2HG1 ILE 23 9.663 5.999 3.824 157 2HG1 ILE 23 1HG1 ILE 23 9.382 6.729 2.247 158 1HG2 ILE 23 1HG2 ILE 23 9.493 2.506 2.708 159 2HG2 ILE 23 2HG2 ILE 23 8.038 3.350 3.239 160 3HG2 ILE 23 3HG2 ILE 23 9.556 3.578 4.107 161 1HD1 ILE 23 1HD1 ILE 23 7.458 7.051 3.639 162 2HD1 ILE 23 2HD1 ILE 23 7.362 5.322 3.970 163 3HD1 ILE 23 3HD1 ILE 23 7.051 5.925 2.343 164 H GLN 24 H GLN 24 10.402 3.745 -0.513 165 HA GLN 24 HA GLN 24 11.568 1.081 -0.024 166 1HB GLN 24 2HB GLN 24 9.055 1.346 -0.557 167 2HB GLN 24 1HB GLN 24 9.595 1.642 -2.204 168 1HG GLN 24 2HG GLN 24 10.375 -0.507 -2.481 169 2HG GLN 24 1HG GLN 24 10.537 -0.782 -0.744 170 1HE2 GLN 24 1HE2 GLN 24 9.037 -2.016 0.134 171 2HE2 GLN 24 2HE2 GLN 24 7.440 -2.266 -0.479 172 HA PRO 25 HA PRO 25 14.415 3.105 -3.025 173 1HB PRO 25 2HB PRO 25 16.636 1.874 -2.064 174 2HB PRO 25 1HB PRO 25 15.970 3.356 -1.369 175 1HG PRO 25 2HG PRO 25 15.612 0.519 -0.468 176 2HG PRO 25 1HG PRO 25 15.970 1.962 0.502 177 1HD PRO 25 2HD PRO 25 13.483 0.951 0.330 178 2HD PRO 25 1HD PRO 25 13.775 2.702 0.437 179 H ASP 26 H ASP 26 14.633 -0.358 -2.044 180 HA ASP 26 HA ASP 26 14.847 -1.000 -4.905 181 1HB ASP 26 2HB ASP 26 17.085 -1.050 -3.635 182 2HB ASP 26 1HB ASP 26 16.446 -2.469 -2.811 183 H LEU 27 H LEU 27 15.089 -3.801 -4.567 184 HA LEU 27 HA LEU 27 12.355 -4.465 -4.068 185 1HB LEU 27 2HB LEU 27 14.526 -5.645 -5.429 186 2HB LEU 27 1HB LEU 27 14.029 -6.794 -4.198 187 HG LEU 27 HG LEU 27 11.710 -6.678 -5.052 188 1HD1 LEU 27 1HD1 LEU 27 12.738 -5.229 -7.455 189 2HD1 LEU 27 2HD1 LEU 27 12.173 -4.334 -6.045 190 3HD1 LEU 27 3HD1 LEU 27 11.079 -5.429 -6.890 191 1HD2 LEU 27 1HD2 LEU 27 12.265 -8.439 -6.278 192 2HD2 LEU 27 2HD2 LEU 27 13.948 -7.911 -6.271 193 3HD2 LEU 27 3HD2 LEU 27 12.862 -7.381 -7.557 194 H ASN 28 H ASN 28 15.097 -4.213 -2.111 195 HA ASN 28 HA ASN 28 14.035 -6.064 -0.109 196 1HB ASN 28 2HB ASN 28 16.499 -6.037 -0.665 197 2HB ASN 28 1HB ASN 28 16.572 -4.437 0.072 198 1HD2 ASN 28 1HD2 ASN 28 16.718 -4.280 2.227 199 2HD2 ASN 28 2HD2 ASN 28 16.674 -5.623 3.310 200 H GLY 29 H GLY 29 12.437 -3.969 -0.615 201 1HA GLY 29 2HA GLY 29 12.579 -2.455 1.908 202 2HA GLY 29 1HA GLY 29 12.286 -1.601 0.397 203 H PHE 30 H PHE 30 10.564 -2.053 2.862 204 HA PHE 30 HA PHE 30 8.197 -2.956 1.378 205 1HB PHE 30 2HB PHE 30 8.640 -3.785 4.239 206 2HB PHE 30 1HB PHE 30 7.466 -4.413 3.087 207 HD1 PHE 30 HD1 PHE 30 10.817 -4.660 4.378 208 HD2 PHE 30 HD2 PHE 30 8.238 -5.850 1.214 209 HE1 PHE 30 HE1 PHE 30 12.397 -6.444 3.770 210 HE2 PHE 30 HE2 PHE 30 9.810 -7.640 0.600 211 HZ PHE 30 HZ PHE 30 11.891 -7.941 1.882 212 H ILE 31 H ILE 31 6.394 -1.797 1.736 213 HA ILE 31 HA ILE 31 6.515 0.289 3.810 214 HB ILE 31 HB ILE 31 5.346 0.342 1.039 215 1HG1 ILE 31 2HG1 ILE 31 7.049 2.398 2.432 216 2HG1 ILE 31 1HG1 ILE 31 7.759 1.026 1.583 217 1HG2 ILE 31 1HG2 ILE 31 3.604 1.468 1.865 218 2HG2 ILE 31 2HG2 ILE 31 4.747 2.790 2.099 219 3HG2 ILE 31 3HG2 ILE 31 4.376 1.699 3.435 220 1HD1 ILE 31 1HD1 ILE 31 5.864 2.252 -0.135 221 2HD1 ILE 31 2HD1 ILE 31 7.614 2.135 -0.323 222 3HD1 ILE 31 3HD1 ILE 31 6.907 3.506 0.532 223 HA PRO 32 HA PRO 32 2.911 -1.833 5.399 224 1HB PRO 32 2HB PRO 32 2.506 -0.208 7.516 225 2HB PRO 32 1HB PRO 32 3.810 -1.403 7.486 226 1HG PRO 32 2HG PRO 32 3.926 1.541 6.941 227 2HG PRO 32 1HG PRO 32 5.034 0.538 7.896 228 1HD PRO 32 2HD PRO 32 5.566 1.293 5.341 229 2HD PRO 32 1HD PRO 32 6.139 -0.239 6.031 230 H GLY 33 H GLY 33 0.650 -1.415 5.464 231 1HA GLY 33 2HA GLY 33 -0.428 0.303 3.620 232 2HA GLY 33 1HA GLY 33 -1.309 -0.248 5.041 233 H SER 34 H SER 34 0.573 1.042 6.875 234 HA SER 34 HA SER 34 -0.722 3.470 7.296 235 1HB SER 34 2HB SER 34 2.101 2.842 8.181 236 2HB SER 34 1HB SER 34 0.944 3.915 8.966 237 HG SER 34 HG SER 34 1.187 1.751 9.902 238 H ALA 35 H ALA 35 2.509 2.896 5.869 239 HA ALA 35 HA ALA 35 2.816 5.671 5.187 240 1HB ALA 35 1HB ALA 35 4.961 5.166 4.687 241 2HB ALA 35 2HB ALA 35 4.534 3.662 3.875 242 3HB ALA 35 3HB ALA 35 4.603 3.723 5.635 243 H ALA 36 H ALA 36 2.121 2.667 3.429 244 HA ALA 36 HA ALA 36 2.128 3.661 0.835 245 1HB ALA 36 1HB ALA 36 1.327 1.279 2.120 246 2HB ALA 36 2HB ALA 36 1.574 1.555 0.394 247 3HB ALA 36 3HB ALA 36 -0.021 1.798 1.108 248 H LYS 37 H LYS 37 -0.600 3.500 3.129 249 HA LYS 37 HA LYS 37 -2.498 4.686 1.437 250 1HB LYS 37 2HB LYS 37 -2.334 3.805 4.165 251 2HB LYS 37 1HB LYS 37 -3.125 5.367 4.106 252 1HG LYS 37 2HG LYS 37 -4.769 3.610 3.989 253 2HG LYS 37 1HG LYS 37 -4.718 4.475 2.451 254 1HD LYS 37 2HD LYS 37 -3.266 2.697 1.535 255 2HD LYS 37 1HD LYS 37 -3.414 1.822 3.060 256 1HE LYS 37 2HE LYS 37 -5.733 1.468 2.737 257 2HE LYS 37 1HE LYS 37 -5.794 2.610 1.398 258 1HZ LYS 37 1HZ LYS 37 -4.334 0.024 1.381 259 2HZ LYS 37 2HZ LYS 37 -4.437 1.110 0.089 260 3HZ LYS 37 3HZ LYS 37 -5.822 0.311 0.632 261 H GLU 38 H GLU 38 -0.439 6.145 3.982 262 HA GLU 38 HA GLU 38 -1.351 8.778 3.668 263 1HB GLU 38 2HB GLU 38 0.767 7.444 5.055 264 2HB GLU 38 1HB GLU 38 1.406 8.891 4.290 265 1HG GLU 38 2HG GLU 38 -0.999 8.831 6.099 266 2HG GLU 38 1HG GLU 38 0.636 9.253 6.604 267 H PHE 39 H PHE 39 1.340 7.092 2.066 268 HA PHE 39 HA PHE 39 2.297 9.292 0.610 269 1HB PHE 39 2HB PHE 39 2.935 6.590 0.908 270 2HB PHE 39 1HB PHE 39 2.599 6.796 -0.803 271 HD1 PHE 39 HD1 PHE 39 3.869 8.525 -2.100 272 HD2 PHE 39 HD2 PHE 39 4.924 7.399 1.864 273 HE1 PHE 39 HE1 PHE 39 6.111 9.487 -2.427 274 HE2 PHE 39 HE2 PHE 39 7.167 8.360 1.547 275 HZ PHE 39 HZ PHE 39 7.761 9.405 -0.602 276 H PHE 40 H PHE 40 0.226 6.605 -0.503 277 HA PHE 40 HA PHE 40 -0.224 7.542 -3.076 278 1HB PHE 40 2HB PHE 40 -1.726 5.746 -1.228 279 2HB PHE 40 1HB PHE 40 -2.465 6.212 -2.754 280 HD1 PHE 40 HD1 PHE 40 -2.431 4.232 -3.991 281 HD2 PHE 40 HD2 PHE 40 1.117 5.547 -2.039 282 HE1 PHE 40 HE1 PHE 40 -1.146 2.487 -5.157 283 HE2 PHE 40 HE2 PHE 40 2.405 3.801 -3.199 284 HZ PHE 40 HZ PHE 40 1.275 2.271 -4.763 285 H THR 41 H THR 41 -1.967 8.296 -0.103 286 HA THR 41 HA THR 41 -4.195 9.581 -0.998 287 HB THR 41 HB THR 41 -2.403 10.445 1.274 288 HG1 THR 41 HG1 THR 41 -3.220 8.472 1.770 289 1HG2 THR 41 1HG2 THR 41 -4.687 11.754 0.143 290 2HG2 THR 41 2HG2 THR 41 -3.708 12.229 1.533 291 3HG2 THR 41 3HG2 THR 41 -5.089 11.153 1.753 292 H LYS 42 H LYS 42 -0.919 10.974 -0.886 293 HA LYS 42 HA LYS 42 -1.557 13.598 -1.468 294 1HB LYS 42 2HB LYS 42 0.836 12.076 -2.507 295 2HB LYS 42 1HB LYS 42 0.685 13.824 -2.421 296 1HG LYS 42 2HG LYS 42 0.284 13.425 0.104 297 2HG LYS 42 1HG LYS 42 1.019 11.852 -0.206 298 1HD LYS 42 2HD LYS 42 2.806 13.211 0.451 299 2HD LYS 42 1HD LYS 42 2.920 13.167 -1.309 300 1HE LYS 42 2HE LYS 42 1.781 15.374 0.401 301 2HE LYS 42 1HE LYS 42 3.248 15.428 -0.573 302 1HZ LYS 42 1HZ LYS 42 0.525 15.061 -1.693 303 2HZ LYS 42 2HZ LYS 42 1.953 15.321 -2.559 304 3HZ LYS 42 3HZ LYS 42 1.313 16.554 -1.592 305 H SER 43 H SER 43 -1.656 10.836 -3.587 306 HA SER 43 HA SER 43 -1.707 12.274 -6.046 307 1HB SER 43 2HB SER 43 -2.615 9.508 -5.260 308 2HB SER 43 1HB SER 43 -2.881 10.135 -6.884 309 HG SER 43 HG SER 43 -0.460 9.565 -5.568 310 H LYS 44 H LYS 44 -3.720 12.582 -3.567 311 HA LYS 44 HA LYS 44 -5.766 13.549 -3.330 312 1HB LYS 44 2HB LYS 44 -5.076 14.836 -5.371 313 2HB LYS 44 1HB LYS 44 -5.877 13.612 -6.343 314 1HG LYS 44 2HG LYS 44 -8.009 14.165 -5.323 315 2HG LYS 44 1HG LYS 44 -7.217 15.364 -4.296 316 1HD LYS 44 2HD LYS 44 -6.477 16.556 -6.338 317 2HD LYS 44 1HD LYS 44 -7.395 15.404 -7.307 318 1HE LYS 44 2HE LYS 44 -8.702 17.399 -7.020 319 2HE LYS 44 1HE LYS 44 -9.446 16.089 -6.103 320 1HZ LYS 44 1HZ LYS 44 -7.541 17.643 -4.601 321 2HZ LYS 44 2HZ LYS 44 -9.103 17.148 -4.182 322 3HZ LYS 44 3HZ LYS 44 -8.881 18.535 -5.124 323 H LEU 45 H LEU 45 -5.205 10.651 -3.859 324 HA LEU 45 HA LEU 45 -7.689 9.658 -4.984 325 1HB LEU 45 2HB LEU 45 -5.065 8.570 -4.405 326 2HB LEU 45 1HB LEU 45 -6.339 7.519 -3.818 327 HG LEU 45 HG LEU 45 -7.338 7.530 -6.100 328 1HD1 LEU 45 1HD1 LEU 45 -6.696 9.286 -7.350 329 2HD1 LEU 45 2HD1 LEU 45 -5.356 8.229 -7.795 330 3HD1 LEU 45 3HD1 LEU 45 -5.143 9.438 -6.529 331 1HD2 LEU 45 1HD2 LEU 45 -5.229 6.301 -7.117 332 2HD2 LEU 45 2HD2 LEU 45 -6.157 5.604 -5.789 333 3HD2 LEU 45 3HD2 LEU 45 -4.645 6.449 -5.460 334 HA PRO 46 HA PRO 46 -9.726 9.340 -1.077 335 1HB PRO 46 2HB PRO 46 -11.710 7.648 -1.754 336 2HB PRO 46 1HB PRO 46 -11.661 9.316 -2.338 337 1HG PRO 46 2HG PRO 46 -10.861 6.795 -3.739 338 2HG PRO 46 1HG PRO 46 -11.770 8.183 -4.366 339 1HD PRO 46 2HD PRO 46 -9.103 7.798 -4.816 340 2HD PRO 46 1HD PRO 46 -9.867 9.400 -4.775 341 H ILE 47 H ILE 47 -9.020 8.207 0.648 342 HA ILE 47 HA ILE 47 -7.504 5.945 0.664 343 HB ILE 47 HB ILE 47 -7.847 7.246 2.679 344 1HG1 ILE 47 2HG1 ILE 47 -8.791 4.390 3.037 345 2HG1 ILE 47 1HG1 ILE 47 -7.111 4.911 2.933 346 1HG2 ILE 47 1HG2 ILE 47 -10.636 6.103 2.700 347 2HG2 ILE 47 2HG2 ILE 47 -10.200 7.780 2.368 348 3HG2 ILE 47 3HG2 ILE 47 -9.918 7.096 3.969 349 1HD1 ILE 47 1HD1 ILE 47 -7.188 4.948 5.156 350 2HD1 ILE 47 2HD1 ILE 47 -8.951 4.944 5.186 351 3HD1 ILE 47 3HD1 ILE 47 -8.076 6.459 4.963 352 H LEU 48 H LEU 48 -11.026 6.105 0.611 353 HA LEU 48 HA LEU 48 -11.672 3.477 1.123 354 1HB LEU 48 2HB LEU 48 -13.221 5.440 0.739 355 2HB LEU 48 1HB LEU 48 -13.013 5.170 -0.981 356 HG LEU 48 HG LEU 48 -14.096 3.070 0.898 357 1HD1 LEU 48 1HD1 LEU 48 -16.287 3.690 0.298 358 2HD1 LEU 48 2HD1 LEU 48 -15.718 4.810 -0.939 359 3HD1 LEU 48 3HD1 LEU 48 -15.479 5.184 0.767 360 1HD2 LEU 48 1HD2 LEU 48 -14.799 3.074 -1.947 361 2HD2 LEU 48 2HD2 LEU 48 -14.312 1.743 -0.898 362 3HD2 LEU 48 3HD2 LEU 48 -13.091 2.794 -1.615 363 H GLU 49 H GLU 49 -10.693 4.926 -1.974 364 HA GLU 49 HA GLU 49 -10.870 2.489 -3.465 365 1HB GLU 49 2HB GLU 49 -9.392 5.072 -3.993 366 2HB GLU 49 1HB GLU 49 -9.507 3.751 -5.147 367 1HG GLU 49 2HG GLU 49 -11.921 5.094 -3.984 368 2HG GLU 49 1HG GLU 49 -11.124 5.665 -5.451 369 H LEU 50 H LEU 50 -8.341 4.252 -1.815 370 HA LEU 50 HA LEU 50 -6.052 2.934 -2.499 371 1HB LEU 50 2HB LEU 50 -7.030 4.413 -0.178 372 2HB LEU 50 1HB LEU 50 -5.768 3.266 0.223 373 HG LEU 50 HG LEU 50 -4.843 5.471 -0.214 374 1HD1 LEU 50 1HD1 LEU 50 -3.022 4.597 -1.172 375 2HD1 LEU 50 2HD1 LEU 50 -3.898 4.098 -2.618 376 3HD1 LEU 50 3HD1 LEU 50 -3.934 3.091 -1.171 377 1HD2 LEU 50 1HD2 LEU 50 -6.696 5.440 -2.394 378 2HD2 LEU 50 2HD2 LEU 50 -5.063 5.691 -3.013 379 3HD2 LEU 50 3HD2 LEU 50 -5.717 6.776 -1.786 380 H SER 51 H SER 51 -8.711 1.659 -0.641 381 HA SER 51 HA SER 51 -7.281 -0.479 0.596 382 1HB SER 51 2HB SER 51 -10.228 -0.142 0.024 383 2HB SER 51 1HB SER 51 -9.560 -1.484 0.942 384 HG SER 51 HG SER 51 -10.324 0.652 2.003 385 H HIS 52 H HIS 52 -9.522 -0.498 -2.198 386 HA HIS 52 HA HIS 52 -9.316 -3.132 -2.951 387 1HB HIS 52 2HB HIS 52 -10.768 -1.509 -4.093 388 2HB HIS 52 1HB HIS 52 -9.355 -0.706 -4.768 389 HD1 HIS 52 HD1 HIS 52 -10.775 -4.258 -4.851 390 HD2 HIS 52 HD2 HIS 52 -8.905 -1.462 -7.282 391 HE1 HIS 52 HE1 HIS 52 -10.589 -5.320 -7.138 392 H ILE 53 H ILE 53 -7.233 -0.456 -3.930 393 HA ILE 53 HA ILE 53 -5.387 -1.852 -5.474 394 HB ILE 53 HB ILE 53 -4.888 0.524 -3.668 395 1HG1 ILE 53 2HG1 ILE 53 -5.104 1.042 -6.515 396 2HG1 ILE 53 1HG1 ILE 53 -6.563 0.282 -5.889 397 1HG2 ILE 53 1HG2 ILE 53 -2.970 0.997 -5.040 398 2HG2 ILE 53 2HG2 ILE 53 -3.325 -0.380 -6.084 399 3HG2 ILE 53 3HG2 ILE 53 -2.832 -0.644 -4.411 400 1HD1 ILE 53 1HD1 ILE 53 -5.578 2.414 -4.183 401 2HD1 ILE 53 2HD1 ILE 53 -7.194 2.133 -4.834 402 3HD1 ILE 53 3HD1 ILE 53 -5.977 2.955 -5.813 403 H TRP 54 H TRP 54 -5.486 -1.335 -1.955 404 HA TRP 54 HA TRP 54 -2.983 -2.517 -1.403 405 1HB TRP 54 2HB TRP 54 -4.260 -1.197 0.272 406 2HB TRP 54 1HB TRP 54 -5.422 -2.522 0.386 407 HD1 TRP 54 HD1 TRP 54 -4.697 -4.696 1.726 408 HE1 TRP 54 HE1 TRP 54 -2.690 -5.213 3.268 409 HE3 TRP 54 HE3 TRP 54 -1.779 -0.639 0.646 410 HZ2 TRP 54 HZ2 TRP 54 -0.206 -4.041 3.932 411 HZ3 TRP 54 HZ3 TRP 54 0.393 -0.413 1.771 412 HH2 TRP 54 HH2 TRP 54 1.164 -2.077 3.379 413 H GLU 55 H GLU 55 -6.268 -3.900 -1.231 414 HA GLU 55 HA GLU 55 -5.659 -6.480 -0.532 415 1HB GLU 55 2HB GLU 55 -7.735 -5.415 -2.437 416 2HB GLU 55 1HB GLU 55 -7.651 -7.118 -1.998 417 1HG GLU 55 2HG GLU 55 -8.386 -6.760 0.111 418 2HG GLU 55 1HG GLU 55 -7.657 -5.160 0.215 419 H LEU 56 H LEU 56 -5.494 -5.012 -3.724 420 HA LEU 56 HA LEU 56 -4.590 -7.389 -5.044 421 1HB LEU 56 2HB LEU 56 -4.755 -4.488 -5.800 422 2HB LEU 56 1HB LEU 56 -3.996 -5.655 -6.861 423 HG LEU 56 HG LEU 56 -6.102 -6.916 -6.987 424 1HD1 LEU 56 1HD1 LEU 56 -7.462 -4.663 -5.558 425 2HD1 LEU 56 2HD1 LEU 56 -6.861 -6.072 -4.684 426 3HD1 LEU 56 3HD1 LEU 56 -8.078 -6.270 -5.944 427 1HD2 LEU 56 1HD2 LEU 56 -6.519 -5.667 -8.768 428 2HD2 LEU 56 2HD2 LEU 56 -5.573 -4.351 -8.073 429 3HD2 LEU 56 3HD2 LEU 56 -7.303 -4.464 -7.745 430 H SER 57 H SER 57 -2.986 -4.409 -3.923 431 HA SER 57 HA SER 57 -0.400 -4.956 -4.800 432 1HB SER 57 2HB SER 57 -1.225 -3.457 -2.300 433 2HB SER 57 1HB SER 57 0.331 -3.343 -3.109 434 HG SER 57 HG SER 57 -0.885 -2.605 -4.983 435 H ASP 58 H ASP 58 -2.104 -6.006 -1.925 436 HA ASP 58 HA ASP 58 0.292 -7.352 -0.913 437 1HB ASP 58 2HB ASP 58 -1.401 -5.923 0.481 438 2HB ASP 58 1HB ASP 58 -2.376 -7.387 0.460 439 H PHE 59 H PHE 59 -0.272 -8.641 -3.126 440 HA PHE 59 HA PHE 59 -2.267 -10.549 -3.248 441 1HB PHE 59 2HB PHE 59 0.609 -10.886 -4.137 442 2HB PHE 59 1HB PHE 59 -0.729 -11.915 -4.631 443 HD1 PHE 59 HD1 PHE 59 -2.110 -11.325 -6.421 444 HD2 PHE 59 HD2 PHE 59 0.600 -8.468 -4.812 445 HE1 PHE 59 HE1 PHE 59 -2.529 -9.853 -8.345 446 HE2 PHE 59 HE2 PHE 59 0.179 -6.985 -6.729 447 HZ PHE 59 HZ PHE 59 -1.386 -7.678 -8.500 448 H ASP 60 H ASP 60 0.222 -10.288 -1.010 449 HA ASP 60 HA ASP 60 0.182 -13.105 -0.254 450 1HB ASP 60 2HB ASP 60 1.945 -12.284 1.386 451 2HB ASP 60 1HB ASP 60 2.360 -12.159 -0.320 452 H LYS 61 H LYS 61 -0.799 -9.932 0.908 453 HA LYS 61 HA LYS 61 -2.327 -9.319 2.481 454 1HB LYS 61 2HB LYS 61 -2.722 -12.296 2.616 455 2HB LYS 61 1HB LYS 61 -3.537 -11.223 3.746 456 1HG LYS 61 2HG LYS 61 -3.755 -11.092 0.743 457 2HG LYS 61 1HG LYS 61 -4.952 -11.796 1.834 458 1HD LYS 61 2HD LYS 61 -5.195 -9.601 2.934 459 2HD LYS 61 1HD LYS 61 -4.050 -8.917 1.780 460 1HE LYS 61 2HE LYS 61 -6.709 -10.173 1.101 461 2HE LYS 61 1HE LYS 61 -6.365 -8.444 1.153 462 1HZ LYS 61 1HZ LYS 61 -4.647 -10.070 -0.553 463 2HZ LYS 61 2HZ LYS 61 -5.253 -8.511 -0.801 464 3HZ LYS 61 3HZ LYS 61 -6.243 -9.855 -1.072 465 H ASP 62 H ASP 62 0.270 -9.154 3.085 466 HA ASP 62 HA ASP 62 0.654 -10.299 5.766 467 1HB ASP 62 2HB ASP 62 2.966 -9.717 5.504 468 2HB ASP 62 1HB ASP 62 2.439 -10.416 3.972 469 H GLY 63 H GLY 63 -0.016 -7.327 4.134 470 1HA GLY 63 2HA GLY 63 -0.961 -5.447 5.271 471 2HA GLY 63 1HA GLY 63 -0.112 -5.945 6.731 472 H ALA 64 H ALA 64 1.780 -6.263 3.997 473 HA ALA 64 HA ALA 64 2.885 -3.564 4.167 474 1HB ALA 64 1HB ALA 64 5.135 -4.322 4.461 475 2HB ALA 64 2HB ALA 64 4.629 -6.009 4.397 476 3HB ALA 64 3HB ALA 64 4.149 -4.995 5.759 477 H LEU 65 H LEU 65 3.627 -2.804 2.290 478 HA LEU 65 HA LEU 65 3.340 -4.534 -0.039 479 1HB LEU 65 2HB LEU 65 3.025 -1.659 0.489 480 2HB LEU 65 1HB LEU 65 3.770 -2.051 -1.048 481 HG LEU 65 HG LEU 65 1.862 -3.251 -1.786 482 1HD1 LEU 65 1HD1 LEU 65 0.802 -4.509 -0.290 483 2HD1 LEU 65 2HD1 LEU 65 -0.101 -3.054 0.132 484 3HD1 LEU 65 3HD1 LEU 65 1.334 -3.500 1.056 485 1HD2 LEU 65 1HD2 LEU 65 1.347 -1.071 -2.222 486 2HD2 LEU 65 2HD2 LEU 65 1.365 -0.610 -0.520 487 3HD2 LEU 65 3HD2 LEU 65 -0.008 -1.498 -1.180 488 H THR 66 H THR 66 5.067 -5.403 -0.881 489 HA THR 66 HA THR 66 7.724 -4.438 -0.278 490 HB THR 66 HB THR 66 8.557 -6.316 -1.466 491 HG1 THR 66 HG1 THR 66 6.760 -7.576 -2.684 492 1HG2 THR 66 1HG2 THR 66 6.311 -6.721 0.334 493 2HG2 THR 66 2HG2 THR 66 7.844 -7.589 0.235 494 3HG2 THR 66 3HG2 THR 66 6.496 -8.059 -0.800 495 H LEU 67 H LEU 67 9.240 -3.841 -2.034 496 HA LEU 67 HA LEU 67 8.433 -1.787 -3.623 497 1HB LEU 67 2HB LEU 67 10.780 -2.534 -3.321 498 2HB LEU 67 1HB LEU 67 10.470 -3.893 -4.380 499 HG LEU 67 HG LEU 67 11.713 -2.052 -5.472 500 1HD1 LEU 67 1HD1 LEU 67 9.789 -3.629 -6.516 501 2HD1 LEU 67 2HD1 LEU 67 10.773 -2.509 -7.459 502 3HD1 LEU 67 3HD1 LEU 67 9.159 -2.033 -6.929 503 1HD2 LEU 67 1HD2 LEU 67 9.232 -0.432 -5.615 504 2HD2 LEU 67 2HD2 LEU 67 10.921 0.070 -5.693 505 3HD2 LEU 67 3HD2 LEU 67 10.193 -0.346 -4.141 506 H ASP 68 H ASP 68 8.163 -5.233 -4.320 507 HA ASP 68 HA ASP 68 7.305 -5.070 -6.995 508 1HB ASP 68 2HB ASP 68 7.678 -7.061 -5.008 509 2HB ASP 68 1HB ASP 68 6.038 -7.238 -5.618 510 H GLU 69 H GLU 69 5.456 -5.394 -3.984 511 HA GLU 69 HA GLU 69 2.895 -5.190 -5.110 512 1HB GLU 69 2HB GLU 69 3.631 -4.151 -2.371 513 2HB GLU 69 1HB GLU 69 2.114 -4.881 -2.879 514 1HG GLU 69 2HG GLU 69 3.355 -7.033 -3.207 515 2HG GLU 69 1HG GLU 69 4.763 -6.261 -2.482 516 H PHE 70 H PHE 70 5.231 -2.809 -4.068 517 HA PHE 70 HA PHE 70 3.654 -0.478 -4.247 518 1HB PHE 70 2HB PHE 70 5.720 -0.314 -3.094 519 2HB PHE 70 1HB PHE 70 6.607 -1.041 -4.420 520 HD1 PHE 70 HD1 PHE 70 8.254 0.692 -4.434 521 HD2 PHE 70 HD2 PHE 70 4.138 1.586 -5.038 522 HE1 PHE 70 HE1 PHE 70 8.867 2.907 -5.303 523 HE2 PHE 70 HE2 PHE 70 4.742 3.809 -5.902 524 HZ PHE 70 HZ PHE 70 7.111 4.473 -6.029 525 H CYS 71 H CYS 71 5.999 -1.822 -6.556 526 HA CYS 71 HA CYS 71 5.748 -0.045 -8.621 527 1HB CYS 71 2HB CYS 71 6.566 -2.843 -8.347 528 2HB CYS 71 1HB CYS 71 6.001 -2.438 -9.962 529 HG CYS 71 HG CYS 71 8.400 -0.631 -8.351 530 H ALA 72 H ALA 72 3.871 -3.044 -8.280 531 HA ALA 72 HA ALA 72 2.136 -2.472 -10.456 532 1HB ALA 72 1HB ALA 72 2.709 -4.711 -9.182 533 2HB ALA 72 2HB ALA 72 1.171 -4.489 -10.015 534 3HB ALA 72 3HB ALA 72 1.264 -4.281 -8.266 535 H ALA 73 H ALA 73 1.877 -1.978 -6.951 536 HA ALA 73 HA ALA 73 -0.819 -1.273 -6.802 537 1HB ALA 73 1HB ALA 73 1.509 -0.287 -5.161 538 2HB ALA 73 2HB ALA 73 0.493 -1.687 -4.822 539 3HB ALA 73 3HB ALA 73 -0.188 -0.062 -4.741 540 H PHE 74 H PHE 74 1.991 0.918 -7.055 541 HA PHE 74 HA PHE 74 0.438 3.259 -7.360 542 1HB PHE 74 2HB PHE 74 2.938 3.026 -6.761 543 2HB PHE 74 1HB PHE 74 3.206 2.930 -8.500 544 HD1 PHE 74 HD1 PHE 74 2.900 4.852 -9.912 545 HD2 PHE 74 HD2 PHE 74 2.153 5.070 -5.731 546 HE1 PHE 74 HE1 PHE 74 2.881 7.309 -10.048 547 HE2 PHE 74 HE2 PHE 74 2.128 7.525 -5.857 548 HZ PHE 74 HZ PHE 74 2.492 8.648 -8.018 549 H HIS 75 H HIS 75 2.130 1.233 -9.760 550 HA HIS 75 HA HIS 75 1.493 2.624 -12.067 551 1HB HIS 75 2HB HIS 75 2.815 0.366 -11.582 552 2HB HIS 75 1HB HIS 75 1.301 -0.347 -12.091 553 HD1 HIS 75 HD1 HIS 75 3.235 2.596 -13.596 554 HD2 HIS 75 HD2 HIS 75 1.692 -1.122 -14.614 555 HE1 HIS 75 HE1 HIS 75 3.657 2.297 -16.072 556 H LEU 76 H LEU 76 -0.271 -0.110 -10.642 557 HA LEU 76 HA LEU 76 -2.454 -0.084 -12.350 558 1HB LEU 76 2HB LEU 76 -1.866 -1.779 -10.549 559 2HB LEU 76 1HB LEU 76 -2.626 -0.687 -9.404 560 HG LEU 76 HG LEU 76 -3.984 -1.962 -11.766 561 1HD1 LEU 76 1HD1 LEU 76 -3.730 -2.723 -8.911 562 2HD1 LEU 76 2HD1 LEU 76 -3.852 -3.736 -10.351 563 3HD1 LEU 76 3HD1 LEU 76 -5.293 -2.963 -9.691 564 1HD2 LEU 76 1HD2 LEU 76 -5.723 -0.911 -9.729 565 2HD2 LEU 76 2HD2 LEU 76 -5.695 -0.579 -11.460 566 3HD2 LEU 76 3HD2 LEU 76 -4.672 0.350 -10.367 567 H VAL 77 H VAL 77 -1.967 1.664 -9.294 568 HA VAL 77 HA VAL 77 -4.429 2.952 -9.148 569 HB VAL 77 HB VAL 77 -1.696 3.825 -8.224 570 1HG1 VAL 77 1HG1 VAL 77 -2.737 5.890 -8.401 571 2HG1 VAL 77 2HG1 VAL 77 -3.114 5.408 -6.746 572 3HG1 VAL 77 3HG1 VAL 77 -4.328 5.234 -8.014 573 1HG2 VAL 77 1HG2 VAL 77 -3.929 2.270 -7.112 574 2HG2 VAL 77 2HG2 VAL 77 -3.212 3.452 -6.017 575 3HG2 VAL 77 3HG2 VAL 77 -2.206 2.204 -6.749 576 H VAL 78 H VAL 78 -1.456 3.982 -10.761 577 HA VAL 78 HA VAL 78 -2.112 6.485 -11.652 578 HB VAL 78 HB VAL 78 -0.693 4.307 -13.192 579 1HG1 VAL 78 1HG1 VAL 78 -1.445 6.125 -14.666 580 2HG1 VAL 78 2HG1 VAL 78 0.312 6.066 -14.521 581 3HG1 VAL 78 3HG1 VAL 78 -0.605 7.290 -13.641 582 1HG2 VAL 78 1HG2 VAL 78 0.878 4.556 -11.649 583 2HG2 VAL 78 2HG2 VAL 78 0.030 5.916 -10.915 584 3HG2 VAL 78 3HG2 VAL 78 1.133 6.189 -12.265 585 H ALA 79 H ALA 79 -3.104 3.386 -13.028 586 HA ALA 79 HA ALA 79 -4.297 4.326 -15.369 587 1HB ALA 79 1HB ALA 79 -4.457 1.859 -13.756 588 2HB ALA 79 2HB ALA 79 -4.068 2.086 -15.460 589 3HB ALA 79 3HB ALA 79 -5.748 2.136 -14.925 590 H ARG 80 H ARG 80 -5.786 3.855 -12.149 591 HA ARG 80 HA ARG 80 -8.428 4.334 -12.840 592 1HB ARG 80 2HB ARG 80 -7.629 3.649 -10.578 593 2HB ARG 80 1HB ARG 80 -7.092 5.301 -10.303 594 1HG ARG 80 2HG ARG 80 -9.381 6.096 -10.504 595 2HG ARG 80 1HG ARG 80 -9.939 4.455 -10.827 596 1HD ARG 80 2HD ARG 80 -9.017 3.793 -8.605 597 2HD ARG 80 1HD ARG 80 -8.693 5.496 -8.285 598 HE ARG 80 HE ARG 80 -11.125 4.211 -7.886 599 1HH1 ARG 80 2HH1 ARG 80 -9.926 7.112 -9.330 600 2HH1 ARG 80 1HH1 ARG 80 -11.432 7.936 -9.181 601 1HH2 ARG 80 1HH2 ARG 80 -13.055 5.261 -7.692 602 2HH2 ARG 80 2HH2 ARG 80 -13.219 6.891 -8.245 603 H LYS 81 H LYS 81 -5.901 6.713 -12.090 604 HA LYS 81 HA LYS 81 -7.543 9.011 -12.284 605 1HB LYS 81 2HB LYS 81 -5.331 9.006 -11.210 606 2HB LYS 81 1HB LYS 81 -4.575 8.717 -12.768 607 1HG LYS 81 2HG LYS 81 -5.041 10.869 -13.532 608 2HG LYS 81 1HG LYS 81 -6.268 11.139 -12.292 609 1HD LYS 81 2HD LYS 81 -3.303 10.851 -11.797 610 2HD LYS 81 1HD LYS 81 -4.200 12.372 -11.799 611 1HE LYS 81 2HE LYS 81 -5.598 11.502 -9.955 612 2HE LYS 81 1HE LYS 81 -4.610 10.045 -9.923 613 1HZ LYS 81 1HZ LYS 81 -2.854 11.141 -8.993 614 2HZ LYS 81 2HZ LYS 81 -4.131 12.026 -8.315 615 3HZ LYS 81 3HZ LYS 81 -3.281 12.645 -9.643 616 H ASN 82 H ASN 82 -6.226 6.917 -14.646 617 HA ASN 82 HA ASN 82 -7.207 8.674 -16.787 618 1HB ASN 82 2HB ASN 82 -4.565 7.202 -16.764 619 2HB ASN 82 1HB ASN 82 -5.250 7.997 -18.178 620 1HD2 ASN 82 1HD2 ASN 82 -3.165 8.348 -15.645 621 2HD2 ASN 82 2HD2 ASN 82 -3.058 10.072 -15.624 622 H GLY 83 H GLY 83 -8.773 6.673 -15.848 623 1HA GLY 83 2HA GLY 83 -8.802 4.848 -18.118 624 2HA GLY 83 1HA GLY 83 -8.595 4.101 -16.545 625 H TYR 84 H TYR 84 -10.419 3.247 -15.812 626 HA TYR 84 HA TYR 84 -12.865 4.784 -15.779 627 1HB TYR 84 2HB TYR 84 -12.366 2.835 -17.846 628 2HB TYR 84 1HB TYR 84 -13.733 2.335 -16.862 629 HD1 TYR 84 HD1 TYR 84 -15.046 4.821 -16.187 630 HD2 TYR 84 HD2 TYR 84 -13.184 3.665 -19.832 631 HE1 TYR 84 HE1 TYR 84 -16.501 6.374 -17.415 632 HE2 TYR 84 HE2 TYR 84 -14.632 5.219 -21.072 633 HH TYR 84 HH TYR 84 -17.358 6.721 -19.632 634 H ASP 85 H ASP 85 -14.596 2.501 -15.347 635 HA ASP 85 HA ASP 85 -14.313 2.186 -12.613 636 1HB ASP 85 2HB ASP 85 -16.107 1.289 -14.602 637 2HB ASP 85 1HB ASP 85 -15.646 -0.119 -13.652 638 H LEU 86 H LEU 86 -13.442 0.689 -11.287 639 HA LEU 86 HA LEU 86 -11.152 -0.715 -12.195 640 1HB LEU 86 2HB LEU 86 -12.559 -1.006 -9.543 641 2HB LEU 86 1HB LEU 86 -10.930 -1.525 -9.918 642 HG LEU 86 HG LEU 86 -10.496 0.982 -10.430 643 1HD1 LEU 86 1HD1 LEU 86 -12.209 1.964 -8.435 644 2HD1 LEU 86 2HD1 LEU 86 -13.219 1.055 -9.555 645 3HD1 LEU 86 3HD1 LEU 86 -12.203 2.367 -10.152 646 1HD2 LEU 86 1HD2 LEU 86 -10.962 0.163 -7.570 647 2HD2 LEU 86 2HD2 LEU 86 -9.801 1.341 -8.183 648 3HD2 LEU 86 3HD2 LEU 86 -9.590 -0.371 -8.542 649 HA PRO 87 HA PRO 87 -12.832 -4.585 -13.436 650 1HB PRO 87 2HB PRO 87 -10.689 -6.188 -12.930 651 2HB PRO 87 1HB PRO 87 -10.778 -5.075 -14.300 652 1HG PRO 87 2HG PRO 87 -9.440 -4.703 -11.646 653 2HG PRO 87 1HG PRO 87 -8.831 -4.319 -13.267 654 1HD PRO 87 2HD PRO 87 -9.848 -2.423 -11.653 655 2HD PRO 87 1HD PRO 87 -10.082 -2.375 -13.415 656 H GLU 88 H GLU 88 -11.585 -4.226 -10.173 657 HA GLU 88 HA GLU 88 -12.064 -5.294 -8.213 658 1HB GLU 88 2HB GLU 88 -14.587 -5.929 -9.742 659 2HB GLU 88 1HB GLU 88 -14.364 -6.311 -8.041 660 1HG GLU 88 2HG GLU 88 -14.402 -3.582 -9.303 661 2HG GLU 88 1HG GLU 88 -15.607 -4.284 -8.222 662 H LYS 89 H LYS 89 -10.333 -6.731 -9.727 663 HA LYS 89 HA LYS 89 -11.280 -9.449 -9.977 664 1HB LYS 89 2HB LYS 89 -8.575 -8.202 -10.422 665 2HB LYS 89 1HB LYS 89 -8.949 -9.898 -10.725 666 1HG LYS 89 2HG LYS 89 -10.538 -9.332 -12.397 667 2HG LYS 89 1HG LYS 89 -10.435 -7.617 -11.992 668 1HD LYS 89 2HD LYS 89 -8.127 -7.574 -12.737 669 2HD LYS 89 1HD LYS 89 -8.206 -9.298 -13.123 670 1HE LYS 89 2HE LYS 89 -10.357 -8.388 -14.481 671 2HE LYS 89 1HE LYS 89 -9.315 -6.969 -14.561 672 1HZ LYS 89 1HZ LYS 89 -8.042 -9.502 -15.185 673 2HZ LYS 89 2HZ LYS 89 -7.884 -7.996 -15.938 674 3HZ LYS 89 3HZ LYS 89 -9.211 -8.983 -16.293 675 H LEU 90 H LEU 90 -10.731 -7.838 -7.365 676 HA LEU 90 HA LEU 90 -8.808 -8.906 -5.757 677 1HB LEU 90 2HB LEU 90 -10.927 -7.333 -5.314 678 2HB LEU 90 1HB LEU 90 -11.563 -8.816 -4.634 679 HG LEU 90 HG LEU 90 -9.006 -7.472 -3.744 680 1HD1 LEU 90 1HD1 LEU 90 -10.579 -7.225 -1.645 681 2HD1 LEU 90 2HD1 LEU 90 -11.838 -7.262 -2.881 682 3HD1 LEU 90 3HD1 LEU 90 -10.577 -6.032 -2.944 683 1HD2 LEU 90 1HD2 LEU 90 -9.729 -10.102 -3.427 684 2HD2 LEU 90 2HD2 LEU 90 -10.327 -9.355 -1.947 685 3HD2 LEU 90 3HD2 LEU 90 -8.624 -9.205 -2.381 686 HA PRO 91 HA PRO 91 -9.886 -13.224 -5.817 687 1HB PRO 91 2HB PRO 91 -7.804 -14.177 -4.454 688 2HB PRO 91 1HB PRO 91 -7.600 -13.455 -6.055 689 1HG PRO 91 2HG PRO 91 -7.039 -12.285 -3.364 690 2HG PRO 91 1HG PRO 91 -6.113 -12.135 -4.868 691 1HD PRO 91 2HD PRO 91 -7.907 -10.254 -3.884 692 2HD PRO 91 1HD PRO 91 -7.344 -10.350 -5.561 693 H GLU 92 H GLU 92 -11.623 -13.850 -4.656 694 HA GLU 92 HA GLU 92 -11.962 -13.332 -1.877 695 1HB GLU 92 2HB GLU 92 -13.393 -15.244 -3.733 696 2HB GLU 92 1HB GLU 92 -13.900 -14.926 -2.080 697 1HG GLU 92 2HG GLU 92 -15.267 -13.504 -3.224 698 2HG GLU 92 1HG GLU 92 -13.900 -12.433 -2.912 699 H SER 93 H SER 93 -9.520 -14.822 -2.672 700 HA SER 93 HA SER 93 -9.907 -17.389 -1.308 701 1HB SER 93 2HB SER 93 -7.487 -16.355 -2.823 702 2HB SER 93 1HB SER 93 -7.689 -17.987 -2.180 703 HG SER 93 HG SER 93 -8.227 -17.502 -4.517 704 H LEU 94 H LEU 94 -8.021 -14.428 -1.180 705 HA LEU 94 HA LEU 94 -6.941 -15.190 1.437 706 1HB LEU 94 2HB LEU 94 -6.265 -12.933 -0.459 707 2HB LEU 94 1HB LEU 94 -5.544 -13.125 1.129 708 HG LEU 94 HG LEU 94 -5.368 -15.364 -0.852 709 1HD1 LEU 94 1HD1 LEU 94 -4.528 -13.625 -2.182 710 2HD1 LEU 94 2HD1 LEU 94 -3.107 -14.367 -1.448 711 3HD1 LEU 94 3HD1 LEU 94 -3.734 -12.845 -0.814 712 1HD2 LEU 94 1HD2 LEU 94 -4.624 -15.987 1.276 713 2HD2 LEU 94 2HD2 LEU 94 -3.841 -14.433 1.555 714 3HD2 LEU 94 3HD2 LEU 94 -3.146 -15.575 0.405 715 H MET 95 H MET 95 -9.689 -14.648 1.215 716 HA MET 95 HA MET 95 -10.136 -12.893 3.320 717 1HB MET 95 2HB MET 95 -9.736 -11.612 0.811 718 2HB MET 95 1HB MET 95 -11.426 -11.435 1.250 719 1HG MET 95 2HG MET 95 -9.092 -10.695 2.997 720 2HG MET 95 1HG MET 95 -10.024 -9.568 2.013 721 1HE MET 95 1HE MET 95 -12.584 -8.758 2.693 722 2HE MET 95 2HE MET 95 -13.569 -9.851 3.664 723 3HE MET 95 3HE MET 95 -12.838 -10.419 2.160 724 HA PRO 96 HA PRO 96 -13.858 -15.327 2.872 725 1HB PRO 96 2HB PRO 96 -15.231 -14.288 4.971 726 2HB PRO 96 1HB PRO 96 -13.916 -15.452 5.164 727 1HG PRO 96 2HG PRO 96 -13.880 -12.479 5.479 728 2HG PRO 96 1HG PRO 96 -13.100 -13.721 6.475 729 1HD PRO 96 2HD PRO 96 -11.761 -12.272 4.612 730 2HD PRO 96 1HD PRO 96 -11.318 -13.937 5.032 731 H LYS 97 HN LYS 97 -16.316 -14.854 2.888 732 HA LYS 97 HA LYS 97 -16.764 -12.331 1.435 733 1HB LYS 97 2HB LYS 97 -18.473 -14.795 1.201 734 2HB LYS 97 1HB LYS 97 -18.400 -13.414 0.114 735 1HG LYS 97 2HG LYS 97 -16.014 -14.079 -0.365 736 2HG LYS 97 1HG LYS 97 -16.361 -15.580 0.492 737 1HD LYS 97 2HD LYS 97 -16.640 -15.874 -1.907 738 2HD LYS 97 1HD LYS 97 -18.186 -16.046 -1.072 739 1HE LYS 97 2HE LYS 97 -19.068 -14.245 -2.075 740 2HE LYS 97 1HE LYS 97 -17.581 -13.311 -1.914 741 1HZ LYS 97 1HZ LYS 97 -17.924 -13.618 -4.205 742 2HZ LYS 97 2HZ LYS 97 -18.282 -15.262 -4.029 743 3HZ LYS 97 3HZ LYS 97 -16.702 -14.710 -3.792 Start of MODEL 21 1 1H TRP 6 1H TRP 6 -3.380 -2.516 -20.601 2 2H TRP 6 2H TRP 6 -2.288 -2.628 -21.891 3 3H TRP 6 3H TRP 6 -2.822 -1.111 -21.361 4 HA TRP 6 HA TRP 6 -1.456 -1.052 -19.587 5 1HB TRP 6 2HB TRP 6 -2.599 -3.162 -18.739 6 2HB TRP 6 1HB TRP 6 -1.327 -4.073 -19.550 7 HD1 TRP 6 HD1 TRP 6 0.899 -4.386 -18.259 8 HE1 TRP 6 HE1 TRP 6 1.817 -3.550 -16.003 9 HE3 TRP 6 HE3 TRP 6 -2.749 -0.995 -17.099 10 HZ2 TRP 6 HZ2 TRP 6 1.092 -1.707 -14.001 11 HZ3 TRP 6 HZ3 TRP 6 -2.565 0.255 -14.987 12 HH2 TRP 6 HH2 TRP 6 -0.683 -0.094 -13.473 13 H LYS 7 H LYS 7 0.820 -0.942 -19.495 14 HA LYS 7 HA LYS 7 2.615 -2.519 -20.943 15 1HB LYS 7 2HB LYS 7 3.183 -0.923 -22.788 16 2HB LYS 7 1HB LYS 7 1.616 -1.701 -22.958 17 1HG LYS 7 2HG LYS 7 0.618 0.384 -21.929 18 2HG LYS 7 1HG LYS 7 2.203 1.132 -22.148 19 1HD LYS 7 2HD LYS 7 2.086 0.660 -24.552 20 2HD LYS 7 1HD LYS 7 0.497 -0.076 -24.328 21 1HE LYS 7 2HE LYS 7 -0.229 2.156 -23.350 22 2HE LYS 7 1HE LYS 7 1.284 2.807 -23.981 23 1HZ LYS 7 1HZ LYS 7 0.557 1.925 -26.200 24 2HZ LYS 7 2HZ LYS 7 -0.359 3.215 -25.605 25 3HZ LYS 7 3HZ LYS 7 -0.965 1.639 -25.520 26 H ILE 8 H ILE 8 3.728 -2.246 -19.010 27 HA ILE 8 HA ILE 8 4.527 0.375 -18.092 28 HB ILE 8 HB ILE 8 5.315 -2.358 -17.094 29 1HG1 ILE 8 2HG1 ILE 8 3.170 -0.449 -16.140 30 2HG1 ILE 8 1HG1 ILE 8 2.892 -1.969 -16.983 31 1HG2 ILE 8 1HG2 ILE 8 6.908 -0.699 -16.399 32 2HG2 ILE 8 2HG2 ILE 8 5.900 -1.140 -15.020 33 3HG2 ILE 8 3HG2 ILE 8 5.615 0.379 -15.871 34 1HD1 ILE 8 1HD1 ILE 8 3.662 -3.231 -15.143 35 2HD1 ILE 8 2HD1 ILE 8 2.566 -2.012 -14.497 36 3HD1 ILE 8 3HD1 ILE 8 4.310 -1.801 -14.342 37 H THR 9 H THR 9 6.422 1.380 -18.438 38 HA THR 9 HA THR 9 8.576 -0.153 -19.755 39 HB THR 9 HB THR 9 8.349 2.851 -19.867 40 HG1 THR 9 HG1 THR 9 7.568 2.197 -22.140 41 1HG2 THR 9 1HG2 THR 9 10.453 2.329 -20.579 42 2HG2 THR 9 2HG2 THR 9 9.587 2.181 -22.104 43 3HG2 THR 9 3HG2 THR 9 9.985 0.737 -21.171 44 H ASP 10 H ASP 10 10.655 -0.022 -18.921 45 HA ASP 10 HA ASP 10 10.974 0.287 -16.209 46 1HB ASP 10 2HB ASP 10 12.586 -0.735 -17.991 47 2HB ASP 10 1HB ASP 10 13.297 0.883 -17.996 48 H GLU 11 H GLU 11 11.436 2.718 -18.719 49 HA GLU 11 HA GLU 11 12.690 4.692 -17.283 50 1HB GLU 11 2HB GLU 11 10.653 4.762 -19.498 51 2HB GLU 11 1HB GLU 11 11.367 6.225 -18.854 52 1HG GLU 11 2HG GLU 11 12.524 5.543 -20.856 53 2HG GLU 11 1HG GLU 11 13.593 5.426 -19.463 54 H GLN 12 H GLN 12 9.205 4.093 -17.616 55 HA GLN 12 HA GLN 12 8.416 6.087 -15.756 56 1HB GLN 12 2HB GLN 12 7.088 3.704 -17.019 57 2HB GLN 12 1HB GLN 12 6.271 4.672 -15.812 58 1HG GLN 12 2HG GLN 12 6.398 6.626 -17.208 59 2HG GLN 12 1HG GLN 12 7.374 5.751 -18.392 60 1HE2 GLN 12 1HE2 GLN 12 4.317 6.762 -17.666 61 2HE2 GLN 12 2HE2 GLN 12 3.419 5.657 -18.644 62 H ARG 13 H ARG 13 8.891 2.565 -15.611 63 HA ARG 13 HA ARG 13 8.041 2.006 -13.056 64 1HB ARG 13 2HB ARG 13 8.777 0.190 -14.375 65 2HB ARG 13 1HB ARG 13 10.343 0.932 -14.674 66 1HG ARG 13 2HG ARG 13 10.880 0.622 -12.264 67 2HG ARG 13 1HG ARG 13 9.362 -0.262 -12.091 68 1HD ARG 13 2HD ARG 13 10.089 -1.955 -13.615 69 2HD ARG 13 1HD ARG 13 11.522 -1.024 -14.047 70 HE ARG 13 HE ARG 13 11.086 -2.475 -11.541 71 1HH1 ARG 13 2HH1 ARG 13 13.174 -0.758 -13.669 72 2HH1 ARG 13 1HH1 ARG 13 14.578 -1.010 -12.695 73 1HH2 ARG 13 1HH2 ARG 13 12.883 -2.784 -10.243 74 2HH2 ARG 13 2HH2 ARG 13 14.413 -2.159 -10.741 75 H GLN 14 H GLN 14 11.356 2.957 -13.987 76 HA GLN 14 HA GLN 14 12.309 3.209 -11.346 77 1HB GLN 14 2HB GLN 14 14.156 4.505 -12.395 78 2HB GLN 14 1HB GLN 14 13.854 2.959 -13.171 79 1HG GLN 14 2HG GLN 14 12.638 4.078 -14.953 80 2HG GLN 14 1HG GLN 14 12.895 5.632 -14.166 81 1HE2 GLN 14 1HE2 GLN 14 14.259 6.713 -15.398 82 2HE2 GLN 14 2HE2 GLN 14 15.756 6.111 -16.018 83 H TYR 15 H TYR 15 10.756 5.443 -13.549 84 HA TYR 15 HA TYR 15 11.196 7.885 -12.431 85 1HB TYR 15 2HB TYR 15 9.850 7.749 -14.376 86 2HB TYR 15 1HB TYR 15 8.683 6.695 -13.589 87 HD1 TYR 15 HD1 TYR 15 6.671 7.833 -13.718 88 HD2 TYR 15 HD2 TYR 15 10.140 9.907 -12.395 89 HE1 TYR 15 HE1 TYR 15 5.280 9.774 -13.148 90 HE2 TYR 15 HE2 TYR 15 8.758 11.858 -11.819 91 HH TYR 15 HH TYR 15 5.253 11.863 -12.419 92 H TYR 16 H TYR 16 8.809 5.498 -11.321 93 HA TYR 16 HA TYR 16 7.755 7.067 -9.213 94 1HB TYR 16 2HB TYR 16 7.850 4.050 -9.344 95 2HB TYR 16 1HB TYR 16 6.692 5.044 -8.464 96 HD1 TYR 16 HD1 TYR 16 5.780 2.929 -10.254 97 HD2 TYR 16 HD2 TYR 16 6.757 6.980 -11.118 98 HE1 TYR 16 HE1 TYR 16 4.268 2.874 -12.191 99 HE2 TYR 16 HE2 TYR 16 5.245 6.936 -13.058 100 HH TYR 16 HH TYR 16 4.273 4.454 -14.567 101 H VAL 17 H VAL 17 10.129 4.419 -9.194 102 HA VAL 17 HA VAL 17 10.659 4.332 -6.477 103 HB VAL 17 HB VAL 17 12.634 3.878 -8.716 104 1HG1 VAL 17 1HG1 VAL 17 14.023 2.803 -7.218 105 2HG1 VAL 17 2HG1 VAL 17 12.728 2.531 -6.051 106 3HG1 VAL 17 3HG1 VAL 17 13.414 4.143 -6.248 107 1HG2 VAL 17 1HG2 VAL 17 11.077 1.750 -7.295 108 2HG2 VAL 17 2HG2 VAL 17 11.902 1.673 -8.851 109 3HG2 VAL 17 3HG2 VAL 17 10.403 2.588 -8.692 110 H ASN 18 H ASN 18 11.929 6.524 -8.918 111 HA ASN 18 HA ASN 18 14.113 7.633 -7.779 112 1HB ASN 18 2HB ASN 18 12.141 8.464 -9.660 113 2HB ASN 18 1HB ASN 18 12.489 9.822 -8.602 114 1HD2 ASN 18 1HD2 ASN 18 13.291 8.531 -11.428 115 2HD2 ASN 18 2HD2 ASN 18 14.933 9.050 -11.561 116 H GLN 19 H GLN 19 10.773 8.671 -7.020 117 HA GLN 19 HA GLN 19 11.747 10.243 -4.782 118 1HB GLN 19 2HB GLN 19 8.877 9.709 -5.554 119 2HB GLN 19 1HB GLN 19 9.477 11.002 -4.526 120 1HG GLN 19 2HG GLN 19 10.716 11.892 -6.509 121 2HG GLN 19 1HG GLN 19 9.881 10.680 -7.482 122 1HE2 GLN 19 1HE2 GLN 19 7.462 10.925 -5.788 123 2HE2 GLN 19 2HE2 GLN 19 6.701 12.387 -6.306 124 H PHE 20 H PHE 20 9.558 7.474 -5.236 125 HA PHE 20 HA PHE 20 8.936 6.999 -2.597 126 1HB PHE 20 2HB PHE 20 8.568 5.649 -5.026 127 2HB PHE 20 1HB PHE 20 9.276 4.482 -3.908 128 HD1 PHE 20 HD1 PHE 20 6.812 7.267 -3.644 129 HD2 PHE 20 HD2 PHE 20 7.715 3.189 -2.845 130 HE1 PHE 20 HE1 PHE 20 4.638 7.011 -2.524 131 HE2 PHE 20 HE2 PHE 20 5.540 2.923 -1.727 132 HZ PHE 20 HZ PHE 20 4.003 4.839 -1.566 133 H LYS 21 H LYS 21 11.949 6.406 -4.235 134 HA LYS 21 HA LYS 21 13.136 4.426 -2.779 135 1HB LYS 21 2HB LYS 21 14.197 6.964 -3.931 136 2HB LYS 21 1HB LYS 21 15.242 6.040 -2.860 137 1HG LYS 21 2HG LYS 21 14.515 4.056 -4.434 138 2HG LYS 21 1HG LYS 21 14.227 5.378 -5.567 139 1HD LYS 21 2HD LYS 21 16.516 6.147 -5.294 140 2HD LYS 21 1HD LYS 21 16.811 4.893 -4.088 141 1HE LYS 21 2HE LYS 21 16.151 4.468 -6.999 142 2HE LYS 21 1HE LYS 21 17.720 4.218 -6.231 143 1HZ LYS 21 1HZ LYS 21 17.093 2.158 -5.757 144 2HZ LYS 21 2HZ LYS 21 15.567 2.423 -6.434 145 3HZ LYS 21 3HZ LYS 21 15.835 2.756 -4.802 146 H THR 22 H THR 22 12.380 7.673 -1.733 147 HA THR 22 HA THR 22 13.851 8.005 0.541 148 HB THR 22 HB THR 22 10.868 8.512 0.464 149 HG1 THR 22 HG1 THR 22 11.597 9.512 -1.359 150 1HG2 THR 22 1HG2 THR 22 13.056 10.105 1.792 151 2HG2 THR 22 2HG2 THR 22 12.132 8.850 2.618 152 3HG2 THR 22 3HG2 THR 22 11.317 10.285 1.998 153 H ILE 23 H ILE 23 11.058 5.953 0.062 154 HA ILE 23 HA ILE 23 11.454 4.758 2.723 155 HB ILE 23 HB ILE 23 8.983 4.710 0.987 156 1HG1 ILE 23 2HG1 ILE 23 9.485 6.160 3.594 157 2HG1 ILE 23 1HG1 ILE 23 9.473 6.924 2.008 158 1HG2 ILE 23 1HG2 ILE 23 7.914 3.739 3.009 159 2HG2 ILE 23 2HG2 ILE 23 9.514 3.599 3.737 160 3HG2 ILE 23 3HG2 ILE 23 9.129 2.693 2.274 161 1HD1 ILE 23 1HD1 ILE 23 7.189 6.691 1.774 162 2HD1 ILE 23 2HD1 ILE 23 7.367 7.036 3.494 163 3HD1 ILE 23 3HD1 ILE 23 7.099 5.380 2.951 164 H GLN 24 H GLN 24 10.731 4.016 -0.688 165 HA GLN 24 HA GLN 24 11.586 1.244 -0.194 166 1HB GLN 24 2HB GLN 24 9.255 1.986 -1.252 167 2HB GLN 24 1HB GLN 24 10.219 1.958 -2.725 168 1HG GLN 24 2HG GLN 24 9.132 -0.171 -2.405 169 2HG GLN 24 1HG GLN 24 10.880 -0.350 -2.233 170 1HE2 GLN 24 1HE2 GLN 24 8.013 -1.229 -0.950 171 2HE2 GLN 24 2HE2 GLN 24 8.517 -1.590 0.661 172 HA PRO 25 HA PRO 25 15.103 2.972 -2.588 173 1HB PRO 25 2HB PRO 25 16.940 1.295 -1.479 174 2HB PRO 25 1HB PRO 25 16.453 2.826 -0.747 175 1HG PRO 25 2HG PRO 25 15.556 0.047 -0.106 176 2HG PRO 25 1HG PRO 25 15.939 1.383 0.994 177 1HD PRO 25 2HD PRO 25 13.396 0.696 0.354 178 2HD PRO 25 1HD PRO 25 13.874 2.366 0.724 179 H ASP 26 H ASP 26 14.735 -0.524 -1.869 180 HA ASP 26 HA ASP 26 14.748 -1.112 -4.703 181 1HB ASP 26 2HB ASP 26 17.147 -0.940 -3.831 182 2HB ASP 26 1HB ASP 26 16.811 -2.404 -2.921 183 H LEU 27 H LEU 27 15.182 -3.855 -4.531 184 HA LEU 27 HA LEU 27 12.703 -4.851 -3.764 185 1HB LEU 27 2HB LEU 27 15.347 -6.175 -4.284 186 2HB LEU 27 1HB LEU 27 13.941 -7.112 -3.815 187 HG LEU 27 HG LEU 27 12.739 -6.279 -5.801 188 1HD1 LEU 27 1HD1 LEU 27 15.334 -4.856 -6.289 189 2HD1 LEU 27 2HD1 LEU 27 13.704 -4.186 -6.249 190 3HD1 LEU 27 3HD1 LEU 27 14.201 -5.220 -7.588 191 1HD2 LEU 27 1HD2 LEU 27 15.023 -8.029 -5.758 192 2HD2 LEU 27 2HD2 LEU 27 14.823 -7.290 -7.346 193 3HD2 LEU 27 3HD2 LEU 27 13.494 -8.196 -6.621 194 H ASN 28 H ASN 28 15.295 -3.961 -1.824 195 HA ASN 28 HA ASN 28 14.501 -5.745 0.354 196 1HB ASN 28 2HB ASN 28 16.952 -5.342 -0.273 197 2HB ASN 28 1HB ASN 28 16.749 -3.738 0.428 198 1HD2 ASN 28 1HD2 ASN 28 18.075 -6.501 1.103 199 2HD2 ASN 28 2HD2 ASN 28 17.780 -6.632 2.798 200 H GLY 29 H GLY 29 12.607 -3.918 -0.391 201 1HA GLY 29 2HA GLY 29 12.544 -2.162 1.974 202 2HA GLY 29 1HA GLY 29 12.175 -1.502 0.392 203 H PHE 30 H PHE 30 10.545 -1.814 2.892 204 HA PHE 30 HA PHE 30 8.205 -3.031 1.604 205 1HB PHE 30 2HB PHE 30 8.759 -3.552 4.517 206 2HB PHE 30 1HB PHE 30 7.670 -4.412 3.430 207 HD1 PHE 30 HD1 PHE 30 8.348 -6.438 2.566 208 HD2 PHE 30 HD2 PHE 30 11.284 -3.647 3.862 209 HE1 PHE 30 HE1 PHE 30 10.115 -8.091 2.118 210 HE2 PHE 30 HE2 PHE 30 13.057 -5.291 3.415 211 HZ PHE 30 HZ PHE 30 12.472 -7.518 2.539 212 H ILE 31 H ILE 31 6.351 -1.924 1.941 213 HA ILE 31 HA ILE 31 6.464 0.324 3.845 214 HB ILE 31 HB ILE 31 5.413 0.176 1.052 215 1HG1 ILE 31 2HG1 ILE 31 6.764 2.452 2.482 216 2HG1 ILE 31 1HG1 ILE 31 7.686 1.120 1.785 217 1HG2 ILE 31 1HG2 ILE 31 4.439 2.091 3.169 218 2HG2 ILE 31 2HG2 ILE 31 3.478 0.885 2.312 219 3HG2 ILE 31 3HG2 ILE 31 4.148 2.263 1.438 220 1HD1 ILE 31 1HD1 ILE 31 6.362 3.383 0.488 221 2HD1 ILE 31 2HD1 ILE 31 6.112 1.829 -0.309 222 3HD1 ILE 31 3HD1 ILE 31 7.749 2.425 -0.031 223 HA PRO 32 HA PRO 32 2.921 -1.753 5.629 224 1HB PRO 32 2HB PRO 32 2.497 0.039 7.618 225 2HB PRO 32 1HB PRO 32 3.787 -1.169 7.687 226 1HG PRO 32 2HG PRO 32 3.942 1.724 6.932 227 2HG PRO 32 1HG PRO 32 5.035 0.776 7.958 228 1HD PRO 32 2HD PRO 32 5.595 1.346 5.368 229 2HD PRO 32 1HD PRO 32 6.128 -0.155 6.153 230 H GLY 33 H GLY 33 0.699 -1.448 5.429 231 1HA GLY 33 2HA GLY 33 -0.309 0.252 3.532 232 2HA GLY 33 1HA GLY 33 -1.275 -0.369 4.863 233 H SER 34 H SER 34 0.317 0.965 6.894 234 HA SER 34 HA SER 34 -1.114 3.328 7.201 235 1HB SER 34 2HB SER 34 -0.033 2.200 9.076 236 2HB SER 34 1HB SER 34 1.556 2.566 8.404 237 HG SER 34 HG SER 34 0.544 4.004 10.119 238 H ALA 35 H ALA 35 2.266 2.925 6.061 239 HA ALA 35 HA ALA 35 2.665 5.705 5.620 240 1HB ALA 35 1HB ALA 35 4.551 4.745 4.083 241 2HB ALA 35 2HB ALA 35 4.116 3.214 4.842 242 3HB ALA 35 3HB ALA 35 4.659 4.566 5.834 243 H ALA 36 H ALA 36 1.882 2.990 3.472 244 HA ALA 36 HA ALA 36 1.805 4.374 1.059 245 1HB ALA 36 1HB ALA 36 0.694 2.537 0.164 246 2HB ALA 36 2HB ALA 36 -0.167 2.202 1.666 247 3HB ALA 36 3HB ALA 36 1.556 1.846 1.540 248 H LYS 37 H LYS 37 -0.792 3.843 3.431 249 HA LYS 37 HA LYS 37 -2.880 5.068 2.104 250 1HB LYS 37 2HB LYS 37 -2.211 4.342 4.835 251 2HB LYS 37 1HB LYS 37 -3.186 5.793 4.764 252 1HG LYS 37 2HG LYS 37 -4.665 3.962 5.000 253 2HG LYS 37 1HG LYS 37 -4.808 4.534 3.337 254 1HD LYS 37 2HD LYS 37 -3.369 2.740 2.566 255 2HD LYS 37 1HD LYS 37 -3.118 2.197 4.228 256 1HE LYS 37 2HE LYS 37 -5.526 1.739 4.423 257 2HE LYS 37 1HE LYS 37 -5.747 2.241 2.747 258 1HZ LYS 37 1HZ LYS 37 -3.726 0.320 2.794 259 2HZ LYS 37 2HZ LYS 37 -5.276 0.186 2.129 260 3HZ LYS 37 3HZ LYS 37 -5.000 -0.281 3.731 261 H GLU 38 H GLU 38 -0.619 6.572 4.438 262 HA GLU 38 HA GLU 38 -1.592 9.179 4.172 263 1HB GLU 38 2HB GLU 38 0.585 7.893 5.471 264 2HB GLU 38 1HB GLU 38 1.225 9.279 4.598 265 1HG GLU 38 2HG GLU 38 -0.410 10.724 5.699 266 2HG GLU 38 1HG GLU 38 -1.028 9.334 6.591 267 H PHE 39 H PHE 39 1.258 7.727 2.572 268 HA PHE 39 HA PHE 39 1.984 9.865 0.988 269 1HB PHE 39 2HB PHE 39 2.712 7.209 1.262 270 2HB PHE 39 1HB PHE 39 2.162 7.312 -0.397 271 HD1 PHE 39 HD1 PHE 39 5.022 6.908 0.900 272 HD2 PHE 39 HD2 PHE 39 2.992 10.173 -0.922 273 HE1 PHE 39 HE1 PHE 39 7.186 7.888 0.254 274 HE2 PHE 39 HE2 PHE 39 5.151 11.158 -1.572 275 HZ PHE 39 HZ PHE 39 7.252 10.016 -0.984 276 H PHE 40 H PHE 40 -0.204 7.199 0.158 277 HA PHE 40 HA PHE 40 -0.934 8.206 -2.369 278 1HB PHE 40 2HB PHE 40 -2.129 6.170 -0.528 279 2HB PHE 40 1HB PHE 40 -2.987 6.660 -1.983 280 HD1 PHE 40 HD1 PHE 40 -1.690 6.527 -4.193 281 HD2 PHE 40 HD2 PHE 40 -0.515 4.503 -0.642 282 HE1 PHE 40 HE1 PHE 40 -0.346 4.965 -5.535 283 HE2 PHE 40 HE2 PHE 40 0.835 2.938 -1.976 284 HZ PHE 40 HZ PHE 40 0.922 3.168 -4.426 285 H THR 41 H THR 41 -2.312 8.766 0.834 286 HA THR 41 HA THR 41 -4.772 9.787 0.288 287 HB THR 41 HB THR 41 -2.712 10.902 2.182 288 HG1 THR 41 HG1 THR 41 -3.521 8.818 2.675 289 1HG2 THR 41 1HG2 THR 41 -4.816 11.924 3.278 290 2HG2 THR 41 2HG2 THR 41 -5.547 11.744 1.682 291 3HG2 THR 41 3HG2 THR 41 -4.110 12.746 1.887 292 H LYS 42 H LYS 42 -1.706 11.513 -0.144 293 HA LYS 42 HA LYS 42 -2.622 14.027 -0.793 294 1HB LYS 42 2HB LYS 42 -0.311 12.550 -2.061 295 2HB LYS 42 1HB LYS 42 -0.548 14.293 -2.086 296 1HG LYS 42 2HG LYS 42 -0.362 14.355 0.349 297 2HG LYS 42 1HG LYS 42 -0.125 12.607 0.373 298 1HD LYS 42 2HD LYS 42 1.915 12.858 -0.942 299 2HD LYS 42 1HD LYS 42 1.669 14.606 -1.000 300 1HE LYS 42 2HE LYS 42 2.064 12.979 1.510 301 2HE LYS 42 1HE LYS 42 3.310 13.940 0.712 302 1HZ LYS 42 1HZ LYS 42 0.915 15.424 1.258 303 2HZ LYS 42 2HZ LYS 42 2.525 15.808 1.602 304 3HZ LYS 42 3HZ LYS 42 1.647 14.824 2.661 305 H SER 43 H SER 43 -2.636 11.141 -2.741 306 HA SER 43 HA SER 43 -3.050 12.176 -5.289 307 1HB SER 43 2HB SER 43 -4.496 9.727 -4.283 308 2HB SER 43 1HB SER 43 -3.851 10.035 -5.894 309 HG SER 43 HG SER 43 -2.564 9.164 -3.596 310 H LYS 44 H LYS 44 -5.114 12.257 -2.555 311 HA LYS 44 HA LYS 44 -7.160 13.227 -2.229 312 1HB LYS 44 2HB LYS 44 -6.388 14.894 -3.929 313 2HB LYS 44 1HB LYS 44 -7.101 13.888 -5.181 314 1HG LYS 44 2HG LYS 44 -9.298 14.279 -4.358 315 2HG LYS 44 1HG LYS 44 -8.677 15.052 -2.898 316 1HD LYS 44 2HD LYS 44 -9.487 16.716 -4.496 317 2HD LYS 44 1HD LYS 44 -7.747 16.867 -4.249 318 1HE LYS 44 2HE LYS 44 -7.390 15.553 -6.325 319 2HE LYS 44 1HE LYS 44 -9.135 15.559 -6.585 320 1HZ LYS 44 1HZ LYS 44 -9.042 17.604 -7.418 321 2HZ LYS 44 2HZ LYS 44 -7.356 17.456 -7.438 322 3HZ LYS 44 3HZ LYS 44 -8.125 18.184 -6.119 323 H LEU 45 H LEU 45 -6.610 10.473 -3.207 324 HA LEU 45 HA LEU 45 -9.036 9.714 -4.619 325 1HB LEU 45 2HB LEU 45 -6.680 8.096 -3.655 326 2HB LEU 45 1HB LEU 45 -8.050 7.425 -4.523 327 HG LEU 45 HG LEU 45 -6.149 9.506 -5.606 328 1HD1 LEU 45 1HD1 LEU 45 -4.845 7.662 -5.772 329 2HD1 LEU 45 2HD1 LEU 45 -5.833 7.394 -7.209 330 3HD1 LEU 45 3HD1 LEU 45 -6.213 6.551 -5.706 331 1HD2 LEU 45 1HD2 LEU 45 -7.312 8.924 -7.762 332 2HD2 LEU 45 2HD2 LEU 45 -8.275 9.839 -6.602 333 3HD2 LEU 45 3HD2 LEU 45 -8.534 8.105 -6.790 334 HA PRO 46 HA PRO 46 -11.295 8.566 -0.989 335 1HB PRO 46 2HB PRO 46 -12.990 6.737 -2.031 336 2HB PRO 46 1HB PRO 46 -13.140 8.467 -2.361 337 1HG PRO 46 2HG PRO 46 -11.901 6.318 -4.042 338 2HG PRO 46 1HG PRO 46 -12.985 7.634 -4.532 339 1HD PRO 46 2HD PRO 46 -10.298 7.748 -4.880 340 2HD PRO 46 1HD PRO 46 -11.283 9.192 -4.565 341 H ILE 47 H ILE 47 -10.765 7.274 0.653 342 HA ILE 47 HA ILE 47 -8.919 5.273 0.678 343 HB ILE 47 HB ILE 47 -11.363 5.363 2.458 344 1HG1 ILE 47 2HG1 ILE 47 -8.642 6.639 2.819 345 2HG1 ILE 47 1HG1 ILE 47 -10.112 7.501 2.376 346 1HG2 ILE 47 1HG2 ILE 47 -9.410 3.419 2.291 347 2HG2 ILE 47 2HG2 ILE 47 -10.471 3.716 3.669 348 3HG2 ILE 47 3HG2 ILE 47 -8.865 4.443 3.619 349 1HD1 ILE 47 1HD1 ILE 47 -9.449 7.647 4.785 350 2HD1 ILE 47 2HD1 ILE 47 -9.829 5.930 4.919 351 3HD1 ILE 47 3HD1 ILE 47 -11.093 7.082 4.488 352 H LEU 48 H LEU 48 -12.392 4.882 0.032 353 HA LEU 48 HA LEU 48 -12.641 2.149 0.135 354 1HB LEU 48 2HB LEU 48 -14.445 3.814 -0.412 355 2HB LEU 48 1HB LEU 48 -13.809 3.882 -2.044 356 HG LEU 48 HG LEU 48 -14.412 1.159 -1.154 357 1HD1 LEU 48 1HD1 LEU 48 -16.572 1.322 -0.601 358 2HD1 LEU 48 2HD1 LEU 48 -16.888 2.545 -1.833 359 3HD1 LEU 48 3HD1 LEU 48 -16.220 3.018 -0.271 360 1HD2 LEU 48 1HD2 LEU 48 -15.533 1.112 -3.353 361 2HD2 LEU 48 2HD2 LEU 48 -13.866 1.682 -3.454 362 3HD2 LEU 48 3HD2 LEU 48 -15.199 2.834 -3.536 363 H GLU 49 H GLU 49 -11.451 4.092 -2.599 364 HA GLU 49 HA GLU 49 -10.831 1.885 -4.278 365 1HB GLU 49 2HB GLU 49 -9.814 4.727 -4.201 366 2HB GLU 49 1HB GLU 49 -9.344 3.574 -5.441 367 1HG GLU 49 2HG GLU 49 -12.175 4.424 -4.883 368 2HG GLU 49 1HG GLU 49 -11.145 5.113 -6.138 369 H LEU 50 H LEU 50 -8.892 3.890 -2.094 370 HA LEU 50 HA LEU 50 -6.402 2.748 -2.499 371 1HB LEU 50 2HB LEU 50 -7.713 4.247 -0.318 372 2HB LEU 50 1HB LEU 50 -6.274 3.360 0.132 373 HG LEU 50 HG LEU 50 -5.047 4.546 -1.701 374 1HD1 LEU 50 1HD1 LEU 50 -7.709 5.885 -1.975 375 2HD1 LEU 50 2HD1 LEU 50 -6.651 5.236 -3.227 376 3HD1 LEU 50 3HD1 LEU 50 -6.222 6.733 -2.399 377 1HD2 LEU 50 1HD2 LEU 50 -5.429 5.310 0.823 378 2HD2 LEU 50 2HD2 LEU 50 -6.157 6.695 0.008 379 3HD2 LEU 50 3HD2 LEU 50 -4.482 6.258 -0.325 380 H SER 51 H SER 51 -8.981 1.648 -0.310 381 HA SER 51 HA SER 51 -7.534 -0.337 1.038 382 1HB SER 51 2HB SER 51 -9.671 0.325 1.885 383 2HB SER 51 1HB SER 51 -10.474 -0.128 0.382 384 HG SER 51 HG SER 51 -9.167 -2.260 1.304 385 H HIS 52 H HIS 52 -9.738 -0.777 -1.738 386 HA HIS 52 HA HIS 52 -9.320 -3.510 -2.080 387 1HB HIS 52 2HB HIS 52 -11.129 -2.212 -3.140 388 2HB HIS 52 1HB HIS 52 -9.950 -1.447 -4.196 389 HD1 HIS 52 HD1 HIS 52 -10.846 -5.084 -3.396 390 HD2 HIS 52 HD2 HIS 52 -10.007 -2.578 -6.598 391 HE1 HIS 52 HE1 HIS 52 -11.053 -6.503 -5.479 392 H ILE 53 H ILE 53 -7.709 -0.797 -3.733 393 HA ILE 53 HA ILE 53 -6.058 -2.130 -5.459 394 HB ILE 53 HB ILE 53 -5.334 0.246 -3.735 395 1HG1 ILE 53 2HG1 ILE 53 -6.419 0.037 -6.552 396 2HG1 ILE 53 1HG1 ILE 53 -7.273 0.662 -5.144 397 1HG2 ILE 53 1HG2 ILE 53 -3.354 -0.909 -4.637 398 2HG2 ILE 53 2HG2 ILE 53 -3.567 0.706 -5.313 399 3HG2 ILE 53 3HG2 ILE 53 -4.006 -0.714 -6.264 400 1HD1 ILE 53 1HD1 ILE 53 -4.996 2.195 -5.225 401 2HD1 ILE 53 2HD1 ILE 53 -6.591 2.665 -5.815 402 3HD1 ILE 53 3HD1 ILE 53 -5.404 1.978 -6.926 403 H TRP 54 H TRP 54 -5.424 -1.516 -1.994 404 HA TRP 54 HA TRP 54 -2.896 -2.742 -1.925 405 1HB TRP 54 2HB TRP 54 -3.775 -1.417 -0.029 406 2HB TRP 54 1HB TRP 54 -4.962 -2.683 0.295 407 HD1 TRP 54 HD1 TRP 54 -3.897 -5.138 1.036 408 HE1 TRP 54 HE1 TRP 54 -1.792 -5.662 2.424 409 HE3 TRP 54 HE3 TRP 54 -1.517 -0.632 0.602 410 HZ2 TRP 54 HZ2 TRP 54 0.552 -4.320 3.246 411 HZ3 TRP 54 HZ3 TRP 54 0.651 -0.333 1.726 412 HH2 TRP 54 HH2 TRP 54 1.662 -2.139 3.022 413 H GLU 55 H GLU 55 -6.130 -4.097 -1.325 414 HA GLU 55 HA GLU 55 -5.411 -6.677 -0.682 415 1HB GLU 55 2HB GLU 55 -7.778 -5.574 -2.163 416 2HB GLU 55 1HB GLU 55 -7.606 -7.305 -1.888 417 1HG GLU 55 2HG GLU 55 -7.637 -5.198 0.260 418 2HG GLU 55 1HG GLU 55 -8.998 -6.232 -0.186 419 H LEU 56 H LEU 56 -5.980 -5.343 -3.928 420 HA LEU 56 HA LEU 56 -5.294 -7.721 -5.293 421 1HB LEU 56 2HB LEU 56 -5.698 -4.878 -6.025 422 2HB LEU 56 1HB LEU 56 -4.829 -5.879 -7.170 423 HG LEU 56 HG LEU 56 -6.721 -7.448 -7.240 424 1HD1 LEU 56 1HD1 LEU 56 -8.886 -6.272 -6.209 425 2HD1 LEU 56 2HD1 LEU 56 -7.681 -5.706 -5.054 426 3HD1 LEU 56 3HD1 LEU 56 -7.909 -7.437 -5.315 427 1HD2 LEU 56 1HD2 LEU 56 -6.763 -4.704 -8.148 428 2HD2 LEU 56 2HD2 LEU 56 -8.392 -5.338 -7.916 429 3HD2 LEU 56 3HD2 LEU 56 -7.263 -6.177 -8.981 430 H SER 57 H SER 57 -3.346 -4.821 -4.544 431 HA SER 57 HA SER 57 -1.005 -5.858 -5.812 432 1HB SER 57 2HB SER 57 -1.399 -3.570 -3.883 433 2HB SER 57 1HB SER 57 0.123 -3.937 -4.680 434 HG SER 57 HG SER 57 -0.818 -3.515 -6.657 435 H ASP 58 H ASP 58 -2.380 -6.295 -2.697 436 HA ASP 58 HA ASP 58 0.149 -7.209 -1.532 437 1HB ASP 58 2HB ASP 58 -1.566 -5.686 -0.337 438 2HB ASP 58 1HB ASP 58 -2.518 -7.154 -0.134 439 H PHE 59 H PHE 59 -0.354 -8.850 -3.491 440 HA PHE 59 HA PHE 59 -2.121 -10.958 -3.205 441 1HB PHE 59 2HB PHE 59 0.677 -11.014 -4.349 442 2HB PHE 59 1HB PHE 59 -0.513 -12.294 -4.556 443 HD1 PHE 59 HD1 PHE 59 -2.254 -12.113 -6.147 444 HD2 PHE 59 HD2 PHE 59 0.285 -8.786 -5.371 445 HE1 PHE 59 HE1 PHE 59 -3.141 -10.976 -8.142 446 HE2 PHE 59 HE2 PHE 59 -0.602 -7.642 -7.363 447 HZ PHE 59 HZ PHE 59 -2.317 -8.737 -8.749 448 H ASP 60 H ASP 60 0.472 -10.180 -1.191 449 HA ASP 60 HA ASP 60 0.725 -12.914 -0.179 450 1HB ASP 60 2HB ASP 60 2.584 -11.959 1.187 451 2HB ASP 60 1HB ASP 60 2.824 -11.764 -0.549 452 H LYS 61 H LYS 61 -0.756 -9.873 0.582 453 HA LYS 61 HA LYS 61 -1.973 -9.145 2.360 454 1HB LYS 61 2HB LYS 61 -2.761 -11.779 1.867 455 2HB LYS 61 1HB LYS 61 -2.557 -11.680 3.612 456 1HG LYS 61 2HG LYS 61 -4.847 -11.158 2.769 457 2HG LYS 61 1HG LYS 61 -4.113 -9.921 3.787 458 1HD LYS 61 2HD LYS 61 -5.120 -8.757 2.017 459 2HD LYS 61 1HD LYS 61 -3.396 -8.787 1.641 460 1HE LYS 61 2HE LYS 61 -3.733 -10.604 0.082 461 2HE LYS 61 1HE LYS 61 -5.440 -10.699 0.519 462 1HZ LYS 61 1HZ LYS 61 -4.939 -8.075 -0.200 463 2HZ LYS 61 2HZ LYS 61 -5.859 -9.210 -1.039 464 3HZ LYS 61 3HZ LYS 61 -4.210 -9.031 -1.395 465 H ASP 62 H ASP 62 0.664 -9.042 2.757 466 HA ASP 62 HA ASP 62 1.230 -10.155 5.411 467 1HB ASP 62 2HB ASP 62 3.532 -9.345 4.920 468 2HB ASP 62 1HB ASP 62 2.916 -10.430 3.670 469 H GLY 63 H GLY 63 -0.147 -7.414 4.150 470 1HA GLY 63 2HA GLY 63 -0.757 -5.433 5.190 471 2HA GLY 63 1HA GLY 63 0.090 -5.976 6.634 472 H ALA 64 H ALA 64 2.057 -6.249 3.985 473 HA ALA 64 HA ALA 64 3.156 -3.543 4.199 474 1HB ALA 64 1HB ALA 64 5.450 -4.947 4.078 475 2HB ALA 64 2HB ALA 64 4.463 -6.051 5.035 476 3HB ALA 64 3HB ALA 64 4.721 -4.396 5.587 477 H LEU 65 H LEU 65 3.821 -2.740 2.295 478 HA LEU 65 HA LEU 65 3.580 -4.460 -0.046 479 1HB LEU 65 2HB LEU 65 3.049 -1.686 0.562 480 2HB LEU 65 1HB LEU 65 4.030 -1.843 -0.880 481 HG LEU 65 HG LEU 65 2.368 -3.148 -1.979 482 1HD1 LEU 65 1HD1 LEU 65 1.580 -3.820 0.662 483 2HD1 LEU 65 2HD1 LEU 65 1.023 -4.508 -0.864 484 3HD1 LEU 65 3HD1 LEU 65 0.192 -3.117 -0.169 485 1HD2 LEU 65 1HD2 LEU 65 1.611 -1.087 -2.434 486 2HD2 LEU 65 2HD2 LEU 65 1.666 -0.589 -0.742 487 3HD2 LEU 65 3HD2 LEU 65 0.292 -1.516 -1.343 488 H THR 66 H THR 66 5.293 -5.273 -0.942 489 HA THR 66 HA THR 66 7.942 -4.250 -0.392 490 HB THR 66 HB THR 66 8.751 -6.148 -1.676 491 HG1 THR 66 HG1 THR 66 6.104 -7.039 -2.101 492 1HG2 THR 66 1HG2 THR 66 7.965 -7.921 -0.285 493 2HG2 THR 66 2HG2 THR 66 6.443 -7.086 0.019 494 3HG2 THR 66 3HG2 THR 66 7.943 -6.452 0.695 495 H LEU 67 H LEU 67 9.461 -3.874 -2.226 496 HA LEU 67 HA LEU 67 8.745 -1.756 -3.765 497 1HB LEU 67 2HB LEU 67 11.052 -2.716 -3.465 498 2HB LEU 67 1HB LEU 67 10.661 -3.886 -4.712 499 HG LEU 67 HG LEU 67 11.989 -2.013 -5.585 500 1HD1 LEU 67 1HD1 LEU 67 9.938 -3.220 -6.792 501 2HD1 LEU 67 2HD1 LEU 67 10.895 -1.960 -7.568 502 3HD1 LEU 67 3HD1 LEU 67 9.345 -1.561 -6.829 503 1HD2 LEU 67 1HD2 LEU 67 10.154 0.066 -5.769 504 2HD2 LEU 67 2HD2 LEU 67 11.599 0.016 -4.759 505 3HD2 LEU 67 3HD2 LEU 67 10.042 -0.483 -4.096 506 H ASP 68 H ASP 68 8.260 -5.172 -4.593 507 HA ASP 68 HA ASP 68 7.444 -4.749 -7.266 508 1HB ASP 68 2HB ASP 68 7.696 -6.941 -5.502 509 2HB ASP 68 1HB ASP 68 6.043 -6.954 -6.096 510 H GLU 69 H GLU 69 5.511 -5.255 -4.327 511 HA GLU 69 HA GLU 69 3.001 -4.811 -5.447 512 1HB GLU 69 2HB GLU 69 3.891 -4.036 -2.659 513 2HB GLU 69 1HB GLU 69 2.248 -4.400 -3.183 514 1HG GLU 69 2HG GLU 69 2.746 -6.685 -3.501 515 2HG GLU 69 1HG GLU 69 4.478 -6.404 -3.357 516 H PHE 70 H PHE 70 5.441 -2.601 -4.228 517 HA PHE 70 HA PHE 70 4.002 -0.196 -4.362 518 1HB PHE 70 2HB PHE 70 6.145 -0.173 -3.291 519 2HB PHE 70 1HB PHE 70 6.933 -0.846 -4.710 520 HD1 PHE 70 HD1 PHE 70 4.466 1.856 -4.935 521 HD2 PHE 70 HD2 PHE 70 8.601 0.855 -4.844 522 HE1 PHE 70 HE1 PHE 70 5.024 4.119 -5.723 523 HE2 PHE 70 HE2 PHE 70 9.168 3.114 -5.638 524 HZ PHE 70 HZ PHE 70 7.381 4.754 -6.069 525 H CYS 71 H CYS 71 6.148 -1.716 -6.731 526 HA CYS 71 HA CYS 71 5.840 0.039 -8.854 527 1HB CYS 71 2HB CYS 71 6.399 -2.908 -8.683 528 2HB CYS 71 1HB CYS 71 6.299 -2.103 -10.238 529 HG CYS 71 HG CYS 71 8.495 -0.561 -9.959 530 H ALA 72 H ALA 72 4.083 -3.016 -8.341 531 HA ALA 72 HA ALA 72 2.319 -2.703 -10.510 532 1HB ALA 72 1HB ALA 72 2.643 -4.532 -8.278 533 2HB ALA 72 2HB ALA 72 2.119 -4.842 -9.934 534 3HB ALA 72 3HB ALA 72 0.954 -4.292 -8.729 535 H ALA 73 H ALA 73 1.718 -2.161 -7.028 536 HA ALA 73 HA ALA 73 -0.911 -1.285 -7.252 537 1HB ALA 73 1HB ALA 73 0.953 -0.093 -5.234 538 2HB ALA 73 2HB ALA 73 0.504 -1.796 -5.153 539 3HB ALA 73 3HB ALA 73 -0.742 -0.550 -5.055 540 H PHE 74 H PHE 74 2.047 0.706 -7.124 541 HA PHE 74 HA PHE 74 0.822 3.185 -7.436 542 1HB PHE 74 2HB PHE 74 3.292 2.625 -6.936 543 2HB PHE 74 1HB PHE 74 3.483 2.545 -8.685 544 HD1 PHE 74 HD1 PHE 74 3.736 4.492 -9.957 545 HD2 PHE 74 HD2 PHE 74 2.446 4.762 -5.916 546 HE1 PHE 74 HE1 PHE 74 4.026 6.933 -10.036 547 HE2 PHE 74 HE2 PHE 74 2.728 7.206 -5.985 548 HZ PHE 74 HZ PHE 74 3.519 8.295 -8.047 549 H HIS 75 H HIS 75 2.242 1.108 -9.981 550 HA HIS 75 HA HIS 75 1.562 2.722 -12.152 551 1HB HIS 75 2HB HIS 75 2.834 0.341 -11.868 552 2HB HIS 75 1HB HIS 75 1.317 -0.184 -12.573 553 HD1 HIS 75 HD1 HIS 75 0.690 1.729 -14.711 554 HD2 HIS 75 HD2 HIS 75 4.608 0.644 -13.866 555 HE1 HIS 75 HE1 HIS 75 2.032 2.242 -16.791 556 H LEU 76 H LEU 76 -0.151 -0.091 -10.858 557 HA LEU 76 HA LEU 76 -2.401 -0.036 -12.452 558 1HB LEU 76 2HB LEU 76 -1.670 -1.687 -10.614 559 2HB LEU 76 1HB LEU 76 -2.518 -0.624 -9.508 560 HG LEU 76 HG LEU 76 -3.799 -1.943 -11.885 561 1HD1 LEU 76 1HD1 LEU 76 -3.008 -3.085 -9.418 562 2HD1 LEU 76 2HD1 LEU 76 -3.955 -3.816 -10.714 563 3HD1 LEU 76 3HD1 LEU 76 -4.765 -2.945 -9.412 564 1HD2 LEU 76 1HD2 LEU 76 -5.505 -1.157 -9.683 565 2HD2 LEU 76 2HD2 LEU 76 -5.637 -0.782 -11.401 566 3HD2 LEU 76 3HD2 LEU 76 -4.628 0.217 -10.356 567 H VAL 77 H VAL 77 -1.946 1.574 -9.308 568 HA VAL 77 HA VAL 77 -4.370 2.867 -9.090 569 HB VAL 77 HB VAL 77 -1.654 3.937 -8.310 570 1HG1 VAL 77 1HG1 VAL 77 -2.805 5.840 -7.970 571 2HG1 VAL 77 2HG1 VAL 77 -3.407 5.009 -6.536 572 3HG1 VAL 77 3HG1 VAL 77 -4.367 5.022 -8.016 573 1HG2 VAL 77 1HG2 VAL 77 -1.684 2.516 -6.598 574 2HG2 VAL 77 2HG2 VAL 77 -3.080 1.737 -7.342 575 3HG2 VAL 77 3HG2 VAL 77 -3.316 3.014 -6.149 576 H VAL 78 H VAL 78 -1.468 3.904 -10.822 577 HA VAL 78 HA VAL 78 -2.254 6.414 -11.672 578 HB VAL 78 HB VAL 78 -0.717 4.321 -13.208 579 1HG1 VAL 78 1HG1 VAL 78 -1.400 7.143 -13.815 580 2HG1 VAL 78 2HG1 VAL 78 -1.156 5.777 -14.904 581 3HG1 VAL 78 3HG1 VAL 78 0.235 6.601 -14.199 582 1HG2 VAL 78 1HG2 VAL 78 0.964 4.741 -11.821 583 2HG2 VAL 78 2HG2 VAL 78 -0.073 5.831 -10.902 584 3HG2 VAL 78 3HG2 VAL 78 0.895 6.453 -12.237 585 H ALA 79 H ALA 79 -3.074 3.240 -13.014 586 HA ALA 79 HA ALA 79 -4.396 4.128 -15.326 587 1HB ALA 79 1HB ALA 79 -4.488 1.646 -13.688 588 2HB ALA 79 2HB ALA 79 -4.022 1.869 -15.374 589 3HB ALA 79 3HB ALA 79 -5.725 1.897 -14.918 590 H ARG 80 H ARG 80 -5.720 3.313 -12.118 591 HA ARG 80 HA ARG 80 -8.390 3.915 -12.660 592 1HB ARG 80 2HB ARG 80 -7.644 2.754 -10.629 593 2HB ARG 80 1HB ARG 80 -6.903 4.236 -10.045 594 1HG ARG 80 2HG ARG 80 -9.833 4.077 -10.657 595 2HG ARG 80 1HG ARG 80 -9.177 3.575 -9.097 596 1HD ARG 80 2HD ARG 80 -9.162 5.691 -8.426 597 2HD ARG 80 1HD ARG 80 -8.050 6.095 -9.734 598 HE ARG 80 HE ARG 80 -9.774 7.147 -10.775 599 1HH1 ARG 80 2HH1 ARG 80 -11.119 4.775 -8.628 600 2HH1 ARG 80 1HH1 ARG 80 -12.748 5.251 -8.923 601 1HH2 ARG 80 1HH2 ARG 80 -11.898 7.788 -11.138 602 2HH2 ARG 80 2HH2 ARG 80 -13.190 6.972 -10.334 603 H LYS 81 H LYS 81 -5.679 5.989 -12.266 604 HA LYS 81 HA LYS 81 -6.829 8.386 -11.428 605 1HB LYS 81 2HB LYS 81 -4.381 7.941 -11.812 606 2HB LYS 81 1HB LYS 81 -4.682 8.100 -13.536 607 1HG LYS 81 2HG LYS 81 -5.530 10.412 -13.087 608 2HG LYS 81 1HG LYS 81 -4.956 10.225 -11.428 609 1HD LYS 81 2HD LYS 81 -2.692 9.901 -12.204 610 2HD LYS 81 1HD LYS 81 -3.228 9.939 -13.885 611 1HE LYS 81 2HE LYS 81 -2.285 12.072 -13.351 612 2HE LYS 81 1HE LYS 81 -4.031 12.264 -13.506 613 1HZ LYS 81 1HZ LYS 81 -3.656 11.711 -10.865 614 2HZ LYS 81 2HZ LYS 81 -3.924 13.246 -11.528 615 3HZ LYS 81 3HZ LYS 81 -2.346 12.713 -11.240 616 H ASN 82 H ASN 82 -7.042 6.705 -14.454 617 HA ASN 82 HA ASN 82 -7.833 8.783 -16.164 618 1HB ASN 82 2HB ASN 82 -8.588 7.078 -17.638 619 2HB ASN 82 1HB ASN 82 -7.220 6.386 -16.769 620 1HD2 ASN 82 1HD2 ASN 82 -9.539 5.146 -18.101 621 2HD2 ASN 82 2HD2 ASN 82 -10.254 4.135 -16.901 622 H GLY 83 H GLY 83 -9.561 6.984 -13.743 623 1HA GLY 83 2HA GLY 83 -11.515 7.859 -12.685 624 2HA GLY 83 1HA GLY 83 -11.885 8.737 -14.161 625 H TYR 84 H TYR 84 -10.951 5.369 -14.169 626 HA TYR 84 HA TYR 84 -13.628 4.696 -15.162 627 1HB TYR 84 2HB TYR 84 -10.918 3.691 -15.702 628 2HB TYR 84 1HB TYR 84 -12.150 2.441 -15.567 629 HD1 TYR 84 HD1 TYR 84 -12.159 5.885 -17.044 630 HD2 TYR 84 HD2 TYR 84 -12.772 1.720 -17.657 631 HE1 TYR 84 HE1 TYR 84 -12.884 6.336 -19.352 632 HE2 TYR 84 HE2 TYR 84 -13.497 2.159 -19.964 633 HH TYR 84 HH TYR 84 -13.169 3.940 -21.690 634 H ASP 85 H ASP 85 -14.800 2.967 -14.343 635 HA ASP 85 HA ASP 85 -14.720 2.597 -11.568 636 1HB ASP 85 2HB ASP 85 -16.676 2.311 -13.206 637 2HB ASP 85 1HB ASP 85 -16.046 0.687 -13.478 638 H LEU 86 H LEU 86 -14.759 0.246 -10.596 639 HA LEU 86 HA LEU 86 -12.685 -1.431 -11.809 640 1HB LEU 86 2HB LEU 86 -12.506 -0.206 -9.075 641 2HB LEU 86 1HB LEU 86 -11.633 -1.669 -9.489 642 HG LEU 86 HG LEU 86 -11.133 0.307 -11.501 643 1HD1 LEU 86 1HD1 LEU 86 -10.467 2.174 -10.409 644 2HD1 LEU 86 2HD1 LEU 86 -10.051 1.301 -8.935 645 3HD1 LEU 86 3HD1 LEU 86 -11.737 1.673 -9.293 646 1HD2 LEU 86 1HD2 LEU 86 -9.586 -1.313 -9.539 647 2HD2 LEU 86 2HD2 LEU 86 -8.777 0.007 -10.383 648 3HD2 LEU 86 3HD2 LEU 86 -9.515 -1.305 -11.301 649 HA PRO 87 HA PRO 87 -15.372 -4.696 -10.549 650 1HB PRO 87 2HB PRO 87 -13.662 -6.779 -10.769 651 2HB PRO 87 1HB PRO 87 -14.335 -5.943 -12.174 652 1HG PRO 87 2HG PRO 87 -11.660 -5.601 -10.872 653 2HG PRO 87 1HG PRO 87 -12.056 -5.715 -12.597 654 1HD PRO 87 2HD PRO 87 -11.593 -3.347 -11.376 655 2HD PRO 87 1HD PRO 87 -12.747 -3.513 -12.715 656 H GLU 88 H GLU 88 -15.963 -5.719 -8.725 657 HA GLU 88 HA GLU 88 -14.261 -5.389 -6.389 658 1HB GLU 88 2HB GLU 88 -16.904 -5.025 -6.699 659 2HB GLU 88 1HB GLU 88 -16.921 -6.699 -6.166 660 1HG GLU 88 2HG GLU 88 -15.204 -5.465 -4.388 661 2HG GLU 88 1HG GLU 88 -16.462 -4.264 -4.669 662 H LYS 89 H LYS 89 -14.803 -7.350 -4.736 663 HA LYS 89 HA LYS 89 -14.424 -9.518 -4.146 664 1HB LYS 89 2HB LYS 89 -15.303 -9.793 -6.972 665 2HB LYS 89 1HB LYS 89 -14.530 -11.181 -6.220 666 1HG LYS 89 2HG LYS 89 -16.989 -11.229 -6.086 667 2HG LYS 89 1HG LYS 89 -16.206 -11.256 -4.506 668 1HD LYS 89 2HD LYS 89 -16.704 -8.934 -4.156 669 2HD LYS 89 1HD LYS 89 -17.313 -8.771 -5.806 670 1HE LYS 89 2HE LYS 89 -19.131 -8.960 -4.158 671 2HE LYS 89 1HE LYS 89 -19.135 -10.289 -5.319 672 1HZ LYS 89 1HZ LYS 89 -19.346 -10.680 -2.721 673 2HZ LYS 89 2HZ LYS 89 -17.659 -10.703 -2.836 674 3HZ LYS 89 3HZ LYS 89 -18.582 -11.795 -3.741 675 H LEU 90 H LEU 90 -12.561 -10.532 -3.689 676 HA LEU 90 HA LEU 90 -10.159 -9.787 -5.044 677 1HB LEU 90 2HB LEU 90 -10.849 -10.938 -2.555 678 2HB LEU 90 1HB LEU 90 -9.772 -12.068 -3.359 679 HG LEU 90 HG LEU 90 -8.161 -10.183 -3.700 680 1HD1 LEU 90 1HD1 LEU 90 -9.162 -8.515 -1.593 681 2HD1 LEU 90 2HD1 LEU 90 -10.356 -8.643 -2.884 682 3HD1 LEU 90 3HD1 LEU 90 -8.723 -8.086 -3.247 683 1HD2 LEU 90 1HD2 LEU 90 -7.302 -10.246 -1.454 684 2HD2 LEU 90 2HD2 LEU 90 -7.975 -11.826 -1.857 685 3HD2 LEU 90 3HD2 LEU 90 -8.879 -10.721 -0.822 686 HA PRO 91 HA PRO 91 -9.815 -12.903 -8.134 687 1HB PRO 91 2HB PRO 91 -7.169 -13.630 -7.881 688 2HB PRO 91 1HB PRO 91 -7.737 -12.201 -8.752 689 1HG PRO 91 2HG PRO 91 -6.668 -12.421 -5.967 690 2HG PRO 91 1HG PRO 91 -6.349 -11.182 -7.194 691 1HD PRO 91 2HD PRO 91 -8.049 -10.729 -5.174 692 2HD PRO 91 1HD PRO 91 -8.374 -10.102 -6.805 693 H GLU 92 H GLU 92 -7.915 -13.849 -5.269 694 HA GLU 92 HA GLU 92 -8.678 -16.616 -5.679 695 1HB GLU 92 2HB GLU 92 -6.894 -15.328 -3.616 696 2HB GLU 92 1HB GLU 92 -7.217 -17.054 -3.700 697 1HG GLU 92 2HG GLU 92 -6.309 -17.028 -6.025 698 2HG GLU 92 1HG GLU 92 -5.823 -15.356 -5.751 699 H SER 93 H SER 93 -9.122 -17.825 -3.464 700 HA SER 93 HA SER 93 -11.536 -16.553 -2.394 701 1HB SER 93 2HB SER 93 -12.035 -18.693 -3.247 702 2HB SER 93 1HB SER 93 -10.610 -19.416 -2.496 703 HG SER 93 HG SER 93 -11.597 -18.974 -0.453 704 H LEU 94 H LEU 94 -10.061 -15.157 -1.076 705 HA LEU 94 HA LEU 94 -9.449 -16.523 1.464 706 1HB LEU 94 2HB LEU 94 -7.871 -14.307 0.168 707 2HB LEU 94 1HB LEU 94 -7.579 -14.927 1.783 708 HG LEU 94 HG LEU 94 -7.166 -17.185 0.719 709 1HD1 LEU 94 1HD1 LEU 94 -7.204 -17.500 -1.501 710 2HD1 LEU 94 2HD1 LEU 94 -6.504 -15.918 -1.840 711 3HD1 LEU 94 3HD1 LEU 94 -8.230 -16.066 -1.512 712 1HD2 LEU 94 1HD2 LEU 94 -5.058 -15.647 -0.487 713 2HD2 LEU 94 2HD2 LEU 94 -5.022 -16.668 0.950 714 3HD2 LEU 94 3HD2 LEU 94 -5.499 -14.976 1.084 715 H MET 95 H MET 95 -10.401 -13.490 -0.072 716 HA MET 95 HA MET 95 -11.754 -12.743 2.411 717 1HB MET 95 2HB MET 95 -9.565 -11.335 1.096 718 2HB MET 95 1HB MET 95 -10.972 -10.314 1.365 719 1HG MET 95 2HG MET 95 -9.657 -11.975 3.499 720 2HG MET 95 1HG MET 95 -9.300 -10.271 3.205 721 1HE MET 95 1HE MET 95 -10.022 -11.309 5.934 722 2HE MET 95 2HE MET 95 -11.420 -10.433 6.556 723 3HE MET 95 3HE MET 95 -10.073 -9.549 5.835 724 HA PRO 96 HA PRO 96 -14.509 -12.342 -1.312 725 1HB PRO 96 2HB PRO 96 -16.435 -14.046 -0.497 726 2HB PRO 96 1HB PRO 96 -14.963 -14.604 -1.287 727 1HG PRO 96 2HG PRO 96 -15.651 -14.561 1.623 728 2HG PRO 96 1HG PRO 96 -14.878 -15.844 0.673 729 1HD PRO 96 2HD PRO 96 -13.498 -14.087 2.248 730 2HD PRO 96 1HD PRO 96 -12.810 -14.869 0.812 731 H LYS 97 HN LYS 97 -17.336 -12.692 -0.377 732 HA LYS 97 HA LYS 97 -17.630 -10.513 1.550 733 1HB LYS 97 2HB LYS 97 -18.966 -10.553 -1.157 734 2HB LYS 97 1HB LYS 97 -19.264 -9.375 0.114 735 1HG LYS 97 2HG LYS 97 -16.891 -8.680 -0.045 736 2HG LYS 97 1HG LYS 97 -16.708 -9.779 -1.418 737 1HD LYS 97 2HD LYS 97 -17.135 -7.583 -2.271 738 2HD LYS 97 1HD LYS 97 -18.568 -8.576 -2.540 739 1HE LYS 97 2HE LYS 97 -19.647 -7.608 -0.617 740 2HE LYS 97 1HE LYS 97 -18.202 -6.667 -0.244 741 1HZ LYS 97 1HZ LYS 97 -18.906 -6.156 -2.887 742 2HZ LYS 97 2HZ LYS 97 -18.939 -5.089 -1.576 743 3HZ LYS 97 3HZ LYS 97 -20.314 -6.000 -1.964 Start of MODEL 22 1 1H TRP 6 1H TRP 6 0.962 -7.090 -17.545 2 2H TRP 6 2H TRP 6 1.429 -7.508 -19.119 3 3H TRP 6 3H TRP 6 -0.207 -7.269 -18.756 4 HA TRP 6 HA TRP 6 0.064 -5.216 -19.527 5 1HB TRP 6 2HB TRP 6 0.231 -5.214 -16.879 6 2HB TRP 6 1HB TRP 6 1.857 -4.622 -17.195 7 HD1 TRP 6 HD1 TRP 6 0.078 -3.126 -19.894 8 HE1 TRP 6 HE1 TRP 6 -0.794 -0.772 -19.327 9 HE3 TRP 6 HE3 TRP 6 0.510 -3.291 -14.796 10 HZ2 TRP 6 HZ2 TRP 6 -1.247 0.803 -17.035 11 HZ3 TRP 6 HZ3 TRP 6 -0.175 -1.316 -13.495 12 HH2 TRP 6 HH2 TRP 6 -1.033 0.684 -14.591 13 H LYS 7 H LYS 7 2.359 -3.391 -18.999 14 HA LYS 7 HA LYS 7 4.747 -4.552 -20.010 15 1HB LYS 7 2HB LYS 7 2.792 -3.490 -21.963 16 2HB LYS 7 1HB LYS 7 4.460 -2.988 -22.196 17 1HG LYS 7 2HG LYS 7 5.192 -5.196 -22.518 18 2HG LYS 7 1HG LYS 7 3.695 -5.877 -21.882 19 1HD LYS 7 2HD LYS 7 3.728 -6.076 -24.293 20 2HD LYS 7 1HD LYS 7 2.479 -4.932 -23.805 21 1HE LYS 7 2HE LYS 7 4.083 -3.084 -24.278 22 2HE LYS 7 1HE LYS 7 5.205 -4.288 -24.915 23 1HZ LYS 7 1HZ LYS 7 2.473 -4.228 -25.979 24 2HZ LYS 7 2HZ LYS 7 3.915 -4.666 -26.743 25 3HZ LYS 7 3HZ LYS 7 3.559 -3.033 -26.490 26 H ILE 8 H ILE 8 5.224 -3.265 -18.076 27 HA ILE 8 HA ILE 8 5.027 -0.454 -17.982 28 HB ILE 8 HB ILE 8 7.052 -2.215 -16.597 29 1HG1 ILE 8 2HG1 ILE 8 4.290 -1.345 -15.716 30 2HG1 ILE 8 1HG1 ILE 8 4.776 -2.982 -16.138 31 1HG2 ILE 8 1HG2 ILE 8 7.695 0.083 -16.470 32 2HG2 ILE 8 2HG2 ILE 8 7.041 -0.397 -14.904 33 3HG2 ILE 8 3HG2 ILE 8 6.062 0.566 -16.011 34 1HD1 ILE 8 1HD1 ILE 8 4.943 -3.146 -13.892 35 2HD1 ILE 8 2HD1 ILE 8 5.274 -1.427 -13.680 36 3HD1 ILE 8 3HD1 ILE 8 6.556 -2.512 -14.216 37 H THR 9 H THR 9 6.325 1.177 -18.772 38 HA THR 9 HA THR 9 8.571 0.359 -20.456 39 HB THR 9 HB THR 9 7.656 3.204 -20.023 40 HG1 THR 9 HG1 THR 9 6.453 1.165 -21.436 41 1HG2 THR 9 1HG2 THR 9 9.903 2.776 -21.005 42 2HG2 THR 9 2HG2 THR 9 8.809 3.630 -22.093 43 3HG2 THR 9 3HG2 THR 9 9.117 1.908 -22.322 44 H ASP 10 H ASP 10 10.681 0.640 -19.927 45 HA ASP 10 HA ASP 10 11.540 0.842 -17.361 46 1HB ASP 10 2HB ASP 10 12.767 0.881 -19.922 47 2HB ASP 10 1HB ASP 10 13.514 2.153 -18.958 48 H GLU 11 H GLU 11 10.898 3.561 -19.545 49 HA GLU 11 HA GLU 11 11.964 5.666 -18.128 50 1HB GLU 11 2HB GLU 11 9.574 5.356 -19.896 51 2HB GLU 11 1HB GLU 11 9.879 6.884 -19.104 52 1HG GLU 11 2HG GLU 11 12.139 6.900 -20.146 53 2HG GLU 11 1HG GLU 11 11.660 5.465 -21.053 54 H GLN 12 H GLN 12 8.768 4.193 -17.770 55 HA GLN 12 HA GLN 12 7.962 5.923 -15.671 56 1HB GLN 12 2HB GLN 12 6.893 3.568 -17.084 57 2HB GLN 12 1HB GLN 12 6.253 3.871 -15.483 58 1HG GLN 12 2HG GLN 12 5.324 5.898 -16.090 59 2HG GLN 12 1HG GLN 12 6.390 6.079 -17.484 60 1HE2 GLN 12 1HE2 GLN 12 3.334 5.290 -16.489 61 2HE2 GLN 12 2HE2 GLN 12 2.785 4.493 -17.914 62 H ARG 13 H ARG 13 9.634 2.851 -15.749 63 HA ARG 13 HA ARG 13 9.099 1.948 -13.170 64 1HB ARG 13 2HB ARG 13 10.323 0.540 -14.644 65 2HB ARG 13 1HB ARG 13 11.576 1.754 -14.856 66 1HG ARG 13 2HG ARG 13 12.505 1.368 -12.759 67 2HG ARG 13 1HG ARG 13 11.032 0.598 -12.153 68 1HD ARG 13 2HD ARG 13 12.796 -0.535 -14.318 69 2HD ARG 13 1HD ARG 13 12.859 -1.000 -12.612 70 HE ARG 13 HE ARG 13 10.228 -1.253 -13.623 71 1HH1 ARG 13 2HH1 ARG 13 13.303 -2.763 -13.564 72 2HH1 ARG 13 1HH1 ARG 13 12.693 -4.315 -14.039 73 1HH2 ARG 13 1HH2 ARG 13 9.405 -3.229 -14.289 74 2HH2 ARG 13 2HH2 ARG 13 10.483 -4.568 -14.465 75 H GLN 14 H GLN 14 11.875 3.932 -14.223 76 HA GLN 14 HA GLN 14 12.841 4.345 -11.627 77 1HB GLN 14 2HB GLN 14 13.595 5.019 -14.248 78 2HB GLN 14 1HB GLN 14 13.501 6.527 -13.357 79 1HG GLN 14 2HG GLN 14 14.934 5.455 -11.591 80 2HG GLN 14 1HG GLN 14 15.163 4.112 -12.707 81 1HE2 GLN 14 1HE2 GLN 14 14.834 6.816 -14.525 82 2HE2 GLN 14 2HE2 GLN 14 16.494 7.229 -14.727 83 H TYR 15 H TYR 15 10.542 6.124 -13.591 84 HA TYR 15 HA TYR 15 10.361 8.543 -12.407 85 1HB TYR 15 2HB TYR 15 8.920 7.752 -14.252 86 2HB TYR 15 1HB TYR 15 7.993 6.799 -13.097 87 HD1 TYR 15 HD1 TYR 15 5.919 7.727 -12.685 88 HD2 TYR 15 HD2 TYR 15 9.254 10.319 -13.188 89 HE1 TYR 15 HE1 TYR 15 4.469 9.667 -12.248 90 HE2 TYR 15 HE2 TYR 15 7.817 12.265 -12.751 91 HH TYR 15 HH TYR 15 5.040 12.214 -11.287 92 H TYR 16 H TYR 16 8.746 5.604 -11.146 93 HA TYR 16 HA TYR 16 7.779 7.000 -8.842 94 1HB TYR 16 2HB TYR 16 6.937 4.910 -8.072 95 2HB TYR 16 1HB TYR 16 6.721 4.927 -9.817 96 HD1 TYR 16 HD1 TYR 16 7.327 3.045 -10.999 97 HD2 TYR 16 HD2 TYR 16 9.202 3.802 -7.262 98 HE1 TYR 16 HE1 TYR 16 8.491 0.885 -11.151 99 HE2 TYR 16 HE2 TYR 16 10.377 1.651 -7.402 100 HH TYR 16 HH TYR 16 11.057 0.016 -9.054 101 H VAL 17 H VAL 17 10.479 4.783 -9.422 102 HA VAL 17 HA VAL 17 11.454 4.374 -6.908 103 HB VAL 17 HB VAL 17 13.155 5.048 -9.313 104 1HG1 VAL 17 1HG1 VAL 17 13.839 3.314 -6.943 105 2HG1 VAL 17 2HG1 VAL 17 14.300 5.011 -7.082 106 3HG1 VAL 17 3HG1 VAL 17 14.910 3.832 -8.244 107 1HG2 VAL 17 1HG2 VAL 17 12.196 2.340 -8.404 108 2HG2 VAL 17 2HG2 VAL 17 13.122 2.717 -9.857 109 3HG2 VAL 17 3HG2 VAL 17 11.453 3.269 -9.705 110 H ASN 18 H ASN 18 12.244 7.166 -8.985 111 HA ASN 18 HA ASN 18 13.931 8.498 -7.263 112 1HB ASN 18 2HB ASN 18 12.277 9.198 -9.568 113 2HB ASN 18 1HB ASN 18 12.560 10.542 -8.471 114 1HD2 ASN 18 1HD2 ASN 18 14.269 11.704 -8.951 115 2HD2 ASN 18 2HD2 ASN 18 15.708 11.133 -9.714 116 H GLN 19 H GLN 19 10.434 8.299 -7.165 117 HA GLN 19 HA GLN 19 10.271 10.336 -5.086 118 1HB GLN 19 2HB GLN 19 8.144 8.630 -6.380 119 2HB GLN 19 1HB GLN 19 7.837 9.899 -5.203 120 1HG GLN 19 2HG GLN 19 9.127 10.304 -7.886 121 2HG GLN 19 1HG GLN 19 7.432 10.620 -7.510 122 1HE2 GLN 19 1HE2 GLN 19 10.381 12.008 -7.832 123 2HE2 GLN 19 2HE2 GLN 19 10.137 13.427 -6.881 124 H PHE 20 H PHE 20 9.282 6.932 -5.437 125 HA PHE 20 HA PHE 20 8.708 6.592 -2.694 126 1HB PHE 20 2HB PHE 20 8.578 5.007 -5.066 127 2HB PHE 20 1HB PHE 20 9.292 4.065 -3.761 128 HD1 PHE 20 HD1 PHE 20 6.534 6.544 -4.158 129 HD2 PHE 20 HD2 PHE 20 7.815 2.833 -2.519 130 HE1 PHE 20 HE1 PHE 20 4.307 6.213 -3.175 131 HE2 PHE 20 HE2 PHE 20 5.585 2.497 -1.538 132 HZ PHE 20 HZ PHE 20 3.835 4.191 -1.863 133 H LYS 21 H LYS 21 11.648 6.443 -4.490 134 HA LYS 21 HA LYS 21 13.284 4.751 -3.131 135 1HB LYS 21 2HB LYS 21 15.102 6.500 -3.486 136 2HB LYS 21 1HB LYS 21 14.215 5.995 -4.919 137 1HG LYS 21 2HG LYS 21 14.216 8.253 -5.220 138 2HG LYS 21 1HG LYS 21 12.711 8.060 -4.327 139 1HD LYS 21 2HD LYS 21 13.819 9.878 -3.319 140 2HD LYS 21 1HD LYS 21 14.065 8.511 -2.230 141 1HE LYS 21 2HE LYS 21 16.288 8.171 -3.061 142 2HE LYS 21 1HE LYS 21 16.048 9.374 -4.327 143 1HZ LYS 21 1HZ LYS 21 15.540 10.850 -2.197 144 2HZ LYS 21 2HZ LYS 21 17.099 10.667 -2.829 145 3HZ LYS 21 3HZ LYS 21 16.615 9.745 -1.496 146 H THR 22 H THR 22 11.903 7.719 -2.011 147 HA THR 22 HA THR 22 13.432 8.347 0.202 148 HB THR 22 HB THR 22 10.412 8.433 0.182 149 HG1 THR 22 HG1 THR 22 10.747 9.546 -1.625 150 1HG2 THR 22 1HG2 THR 22 12.494 9.495 1.887 151 2HG2 THR 22 2HG2 THR 22 10.748 9.472 2.131 152 3HG2 THR 22 3HG2 THR 22 11.494 10.786 1.222 153 H ILE 23 H ILE 23 10.844 5.975 -0.135 154 HA ILE 23 HA ILE 23 11.555 4.871 2.504 155 HB ILE 23 HB ILE 23 8.902 4.641 1.069 156 1HG1 ILE 23 2HG1 ILE 23 9.644 6.229 3.535 157 2HG1 ILE 23 1HG1 ILE 23 9.381 6.919 1.937 158 1HG2 ILE 23 1HG2 ILE 23 9.629 3.824 3.878 159 2HG2 ILE 23 2HG2 ILE 23 9.529 2.711 2.513 160 3HG2 ILE 23 3HG2 ILE 23 8.089 3.573 3.055 161 1HD1 ILE 23 1HD1 ILE 23 7.494 6.909 3.755 162 2HD1 ILE 23 2HD1 ILE 23 7.224 5.277 3.145 163 3HD1 ILE 23 3HD1 ILE 23 7.119 6.656 2.051 164 H GLN 24 H GLN 24 10.516 4.025 -0.788 165 HA GLN 24 HA GLN 24 11.531 1.297 -0.366 166 1HB GLN 24 2HB GLN 24 9.092 1.942 -1.193 167 2HB GLN 24 1HB GLN 24 9.901 2.019 -2.751 168 1HG GLN 24 2HG GLN 24 8.912 -0.161 -2.393 169 2HG GLN 24 1HG GLN 24 10.673 -0.274 -2.470 170 1HE2 GLN 24 1HE2 GLN 24 7.965 -1.156 -0.758 171 2HE2 GLN 24 2HE2 GLN 24 8.735 -1.631 0.716 172 HA PRO 25 HA PRO 25 14.677 3.123 -3.188 173 1HB PRO 25 2HB PRO 25 16.785 1.769 -2.189 174 2HB PRO 25 1HB PRO 25 16.160 3.240 -1.437 175 1HG PRO 25 2HG PRO 25 15.711 0.383 -0.675 176 2HG PRO 25 1HG PRO 25 16.015 1.785 0.366 177 1HD PRO 25 2HD PRO 25 13.529 0.735 -0.065 178 2HD PRO 25 1HD PRO 25 13.816 2.442 0.332 179 H ASP 26 H ASP 26 14.709 -0.304 -2.172 180 HA ASP 26 HA ASP 26 14.802 -1.107 -4.996 181 1HB ASP 26 2HB ASP 26 17.092 -1.115 -3.871 182 2HB ASP 26 1HB ASP 26 16.477 -2.396 -2.833 183 H LEU 27 H LEU 27 14.986 -3.903 -4.460 184 HA LEU 27 HA LEU 27 12.275 -4.428 -3.674 185 1HB LEU 27 2HB LEU 27 14.515 -6.309 -4.431 186 2HB LEU 27 1HB LEU 27 12.872 -6.817 -4.090 187 HG LEU 27 HG LEU 27 12.113 -5.351 -5.988 188 1HD1 LEU 27 1HD1 LEU 27 14.981 -4.770 -6.026 189 2HD1 LEU 27 2HD1 LEU 27 13.622 -3.841 -6.660 190 3HD1 LEU 27 3HD1 LEU 27 14.300 -5.169 -7.603 191 1HD2 LEU 27 1HD2 LEU 27 13.353 -6.961 -7.714 192 2HD2 LEU 27 2HD2 LEU 27 12.061 -7.518 -6.652 193 3HD2 LEU 27 3HD2 LEU 27 13.745 -7.810 -6.218 194 H ASN 28 H ASN 28 15.093 -3.982 -1.982 195 HA ASN 28 HA ASN 28 14.405 -5.853 0.166 196 1HB ASN 28 2HB ASN 28 16.796 -5.580 -0.574 197 2HB ASN 28 1HB ASN 28 16.733 -3.924 0.017 198 1HD2 ASN 28 1HD2 ASN 28 14.820 -5.448 2.088 199 2HD2 ASN 28 2HD2 ASN 28 15.963 -5.921 3.287 200 H GLY 29 H GLY 29 12.565 -3.879 -0.357 201 1HA GLY 29 2HA GLY 29 12.639 -2.398 2.173 202 2HA GLY 29 1HA GLY 29 12.321 -1.516 0.685 203 H PHE 30 H PHE 30 10.640 -2.098 3.121 204 HA PHE 30 HA PHE 30 8.296 -3.045 1.638 205 1HB PHE 30 2HB PHE 30 8.877 -3.907 4.473 206 2HB PHE 30 1HB PHE 30 7.579 -4.469 3.426 207 HD1 PHE 30 HD1 PHE 30 11.307 -4.230 3.374 208 HD2 PHE 30 HD2 PHE 30 7.845 -6.533 2.469 209 HE1 PHE 30 HE1 PHE 30 12.742 -6.065 2.584 210 HE2 PHE 30 HE2 PHE 30 9.274 -8.372 1.680 211 HZ PHE 30 HZ PHE 30 11.725 -8.141 1.737 212 H ILE 31 H ILE 31 6.475 -1.934 1.993 213 HA ILE 31 HA ILE 31 6.596 0.232 3.986 214 HB ILE 31 HB ILE 31 5.455 0.111 1.224 215 1HG1 ILE 31 2HG1 ILE 31 6.977 2.345 2.551 216 2HG1 ILE 31 1HG1 ILE 31 7.807 0.957 1.849 217 1HG2 ILE 31 1HG2 ILE 31 4.669 2.561 2.144 218 2HG2 ILE 31 2HG2 ILE 31 4.322 1.509 3.517 219 3HG2 ILE 31 3HG2 ILE 31 3.621 1.159 1.938 220 1HD1 ILE 31 1HD1 ILE 31 5.972 2.834 0.381 221 2HD1 ILE 31 2HD1 ILE 31 6.832 1.461 -0.323 222 3HD1 ILE 31 3HD1 ILE 31 7.734 2.840 0.310 223 HA PRO 32 HA PRO 32 3.060 -1.802 5.841 224 1HB PRO 32 2HB PRO 32 2.642 0.096 7.751 225 2HB PRO 32 1HB PRO 32 3.890 -1.149 7.885 226 1HG PRO 32 2HG PRO 32 4.147 1.706 7.030 227 2HG PRO 32 1HG PRO 32 5.207 0.752 8.083 228 1HD PRO 32 2HD PRO 32 5.793 1.229 5.485 229 2HD PRO 32 1HD PRO 32 6.261 -0.273 6.307 230 H GLY 33 H GLY 33 0.807 -1.453 5.789 231 1HA GLY 33 2HA GLY 33 -0.278 0.025 3.768 232 2HA GLY 33 1HA GLY 33 -1.177 -0.399 5.220 233 H SER 34 H SER 34 0.436 1.170 7.023 234 HA SER 34 HA SER 34 -0.928 3.602 6.979 235 1HB SER 34 2HB SER 34 1.773 3.094 8.253 236 2HB SER 34 1HB SER 34 0.625 4.355 8.697 237 HG SER 34 HG SER 34 0.770 1.938 9.681 238 H ALA 35 H ALA 35 2.440 2.911 5.980 239 HA ALA 35 HA ALA 35 3.004 5.534 5.119 240 1HB ALA 35 1HB ALA 35 4.619 3.961 3.567 241 2HB ALA 35 2HB ALA 35 4.282 2.916 4.947 242 3HB ALA 35 3HB ALA 35 4.990 4.511 5.200 243 H ALA 36 H ALA 36 1.779 2.674 3.403 244 HA ALA 36 HA ALA 36 1.733 3.780 0.822 245 1HB ALA 36 1HB ALA 36 0.108 2.053 0.279 246 2HB ALA 36 2HB ALA 36 -0.180 1.756 1.993 247 3HB ALA 36 3HB ALA 36 1.394 1.388 1.285 248 H LYS 37 H LYS 37 -0.739 3.770 3.378 249 HA LYS 37 HA LYS 37 -2.716 5.156 1.939 250 1HB LYS 37 2HB LYS 37 -2.268 4.259 4.647 251 2HB LYS 37 1HB LYS 37 -2.960 5.871 4.640 252 1HG LYS 37 2HG LYS 37 -4.736 4.283 4.747 253 2HG LYS 37 1HG LYS 37 -4.758 5.038 3.152 254 1HD LYS 37 2HD LYS 37 -3.528 3.089 2.257 255 2HD LYS 37 1HD LYS 37 -3.629 2.330 3.848 256 1HE LYS 37 2HE LYS 37 -5.952 3.127 2.097 257 2HE LYS 37 1HE LYS 37 -5.371 1.485 2.370 258 1HZ LYS 37 1HZ LYS 37 -6.729 3.296 4.272 259 2HZ LYS 37 2HZ LYS 37 -5.826 1.972 4.813 260 3HZ LYS 37 3HZ LYS 37 -7.168 1.726 3.811 261 H GLU 38 H GLU 38 -0.385 6.335 4.371 262 HA GLU 38 HA GLU 38 -0.985 9.022 4.188 263 1HB GLU 38 2HB GLU 38 1.296 7.396 5.081 264 2HB GLU 38 1HB GLU 38 1.675 9.059 4.674 265 1HG GLU 38 2HG GLU 38 1.166 8.810 7.043 266 2HG GLU 38 1HG GLU 38 -0.011 9.847 6.239 267 H PHE 39 H PHE 39 1.333 7.133 2.277 268 HA PHE 39 HA PHE 39 2.330 9.310 0.777 269 1HB PHE 39 2HB PHE 39 2.843 6.581 0.997 270 2HB PHE 39 1HB PHE 39 2.325 6.801 -0.664 271 HD1 PHE 39 HD1 PHE 39 3.777 7.670 -2.265 272 HD2 PHE 39 HD2 PHE 39 4.732 8.056 1.863 273 HE1 PHE 39 HE1 PHE 39 6.016 8.496 -2.864 274 HE2 PHE 39 HE2 PHE 39 6.973 8.885 1.271 275 HZ PHE 39 HZ PHE 39 7.615 9.107 -1.094 276 H PHE 40 H PHE 40 -0.019 6.771 -0.114 277 HA PHE 40 HA PHE 40 -0.707 7.899 -2.603 278 1HB PHE 40 2HB PHE 40 -2.024 5.903 -0.789 279 2HB PHE 40 1HB PHE 40 -2.829 6.455 -2.252 280 HD1 PHE 40 HD1 PHE 40 -2.844 4.329 -3.331 281 HD2 PHE 40 HD2 PHE 40 0.815 6.059 -2.014 282 HE1 PHE 40 HE1 PHE 40 -1.591 2.694 -4.674 283 HE2 PHE 40 HE2 PHE 40 2.074 4.423 -3.354 284 HZ PHE 40 HZ PHE 40 0.870 2.739 -4.689 285 H THR 41 H THR 41 -2.477 7.978 0.493 286 HA THR 41 HA THR 41 -4.637 9.500 -0.193 287 HB THR 41 HB THR 41 -3.023 9.702 2.358 288 HG1 THR 41 HG1 THR 41 -5.399 8.463 2.578 289 1HG2 THR 41 1HG2 THR 41 -4.322 11.470 2.817 290 2HG2 THR 41 2HG2 THR 41 -5.636 10.304 2.977 291 3HG2 THR 41 3HG2 THR 41 -5.387 11.152 1.450 292 H LYS 42 H LYS 42 -1.423 10.744 0.767 293 HA LYS 42 HA LYS 42 -2.025 13.471 0.536 294 1HB LYS 42 2HB LYS 42 0.583 12.019 0.073 295 2HB LYS 42 1HB LYS 42 0.437 13.769 0.115 296 1HG LYS 42 2HG LYS 42 -0.447 13.569 2.435 297 2HG LYS 42 1HG LYS 42 -0.077 11.845 2.367 298 1HD LYS 42 2HD LYS 42 2.293 12.534 1.755 299 2HD LYS 42 1HD LYS 42 1.828 14.168 2.233 300 1HE LYS 42 2HE LYS 42 2.915 13.066 4.081 301 2HE LYS 42 1HE LYS 42 1.209 13.301 4.461 302 1HZ LYS 42 1HZ LYS 42 2.536 10.961 4.685 303 2HZ LYS 42 2HZ LYS 42 1.782 10.786 3.178 304 3HZ LYS 42 3HZ LYS 42 0.854 11.110 4.554 305 H SER 43 H SER 43 -1.212 11.066 -1.877 306 HA SER 43 HA SER 43 -0.551 12.721 -4.015 307 1HB SER 43 2HB SER 43 -0.261 10.327 -4.187 308 2HB SER 43 1HB SER 43 -1.996 10.065 -4.036 309 HG SER 43 HG SER 43 -1.489 11.779 -6.052 310 H LYS 44 H LYS 44 -3.765 11.465 -3.114 311 HA LYS 44 HA LYS 44 -5.303 13.651 -3.484 312 1HB LYS 44 2HB LYS 44 -4.138 13.415 -5.894 313 2HB LYS 44 1HB LYS 44 -5.518 12.363 -6.154 314 1HG LYS 44 2HG LYS 44 -6.512 14.263 -6.807 315 2HG LYS 44 1HG LYS 44 -6.749 14.500 -5.074 316 1HD LYS 44 2HD LYS 44 -4.743 15.856 -4.952 317 2HD LYS 44 1HD LYS 44 -4.407 15.557 -6.658 318 1HE LYS 44 2HE LYS 44 -6.534 16.686 -7.232 319 2HE LYS 44 1HE LYS 44 -6.773 17.050 -5.523 320 1HZ LYS 44 1HZ LYS 44 -4.490 18.165 -5.699 321 2HZ LYS 44 2HZ LYS 44 -5.816 18.967 -6.377 322 3HZ LYS 44 3HZ LYS 44 -4.739 18.126 -7.372 323 H LEU 45 H LEU 45 -5.185 10.383 -4.865 324 HA LEU 45 HA LEU 45 -7.871 9.758 -4.803 325 1HB LEU 45 2HB LEU 45 -5.506 7.944 -4.357 326 2HB LEU 45 1HB LEU 45 -7.137 7.385 -4.672 327 HG LEU 45 HG LEU 45 -5.454 9.027 -6.566 328 1HD1 LEU 45 1HD1 LEU 45 -5.353 6.296 -5.997 329 2HD1 LEU 45 2HD1 LEU 45 -4.659 7.126 -7.389 330 3HD1 LEU 45 3HD1 LEU 45 -6.275 6.430 -7.494 331 1HD2 LEU 45 1HD2 LEU 45 -7.913 7.629 -7.433 332 2HD2 LEU 45 2HD2 LEU 45 -7.216 9.151 -7.989 333 3HD2 LEU 45 3HD2 LEU 45 -8.123 9.096 -6.477 334 HA PRO 46 HA PRO 46 -8.880 9.576 -0.485 335 1HB PRO 46 2HB PRO 46 -11.282 8.340 -0.750 336 2HB PRO 46 1HB PRO 46 -11.032 10.047 -1.138 337 1HG PRO 46 2HG PRO 46 -11.105 7.681 -2.975 338 2HG PRO 46 1HG PRO 46 -11.871 9.269 -3.170 339 1HD PRO 46 2HD PRO 46 -9.566 8.630 -4.413 340 2HD PRO 46 1HD PRO 46 -9.905 10.277 -3.843 341 H ILE 47 H ILE 47 -8.839 8.093 1.184 342 HA ILE 47 HA ILE 47 -7.452 5.744 0.967 343 HB ILE 47 HB ILE 47 -9.654 6.225 2.975 344 1HG1 ILE 47 2HG1 ILE 47 -6.736 7.020 3.083 345 2HG1 ILE 47 1HG1 ILE 47 -8.091 8.124 2.873 346 1HG2 ILE 47 1HG2 ILE 47 -9.036 4.308 3.896 347 2HG2 ILE 47 2HG2 ILE 47 -7.374 4.881 4.026 348 3HG2 ILE 47 3HG2 ILE 47 -7.905 4.043 2.569 349 1HD1 ILE 47 1HD1 ILE 47 -7.196 8.068 5.172 350 2HD1 ILE 47 2HD1 ILE 47 -7.677 6.375 5.283 351 3HD1 ILE 47 3HD1 ILE 47 -8.901 7.628 5.075 352 H LEU 48 H LEU 48 -10.775 6.295 0.217 353 HA LEU 48 HA LEU 48 -12.007 3.876 0.490 354 1HB LEU 48 2HB LEU 48 -12.427 6.268 -0.945 355 2HB LEU 48 1HB LEU 48 -12.677 4.956 -2.077 356 HG LEU 48 HG LEU 48 -14.087 5.218 0.576 357 1HD1 LEU 48 1HD1 LEU 48 -15.036 5.808 -2.223 358 2HD1 LEU 48 2HD1 LEU 48 -14.750 6.989 -0.945 359 3HD1 LEU 48 3HD1 LEU 48 -16.047 5.806 -0.779 360 1HD2 LEU 48 1HD2 LEU 48 -14.467 3.034 0.247 361 2HD2 LEU 48 2HD2 LEU 48 -13.901 3.095 -1.423 362 3HD2 LEU 48 3HD2 LEU 48 -15.558 3.559 -1.036 363 H GLU 49 H GLU 49 -11.101 4.713 -2.838 364 HA GLU 49 HA GLU 49 -10.950 2.138 -3.793 365 1HB GLU 49 2HB GLU 49 -9.416 4.595 -4.633 366 2HB GLU 49 1HB GLU 49 -9.389 3.093 -5.549 367 1HG GLU 49 2HG GLU 49 -11.001 4.802 -6.381 368 2HG GLU 49 1HG GLU 49 -11.720 3.235 -5.997 369 H LEU 50 H LEU 50 -8.471 3.979 -2.129 370 HA LEU 50 HA LEU 50 -6.233 2.438 -2.570 371 1HB LEU 50 2HB LEU 50 -7.158 4.233 -0.448 372 2HB LEU 50 1HB LEU 50 -6.014 3.026 0.105 373 HG LEU 50 HG LEU 50 -4.418 3.773 -1.632 374 1HD1 LEU 50 1HD1 LEU 50 -6.728 5.380 -2.442 375 2HD1 LEU 50 2HD1 LEU 50 -5.340 4.827 -3.378 376 3HD1 LEU 50 3HD1 LEU 50 -5.205 6.266 -2.368 377 1HD2 LEU 50 1HD2 LEU 50 -4.480 6.295 -0.539 378 2HD2 LEU 50 2HD2 LEU 50 -3.693 4.880 0.162 379 3HD2 LEU 50 3HD2 LEU 50 -5.328 5.317 0.659 380 H SER 51 H SER 51 -8.892 1.854 -0.290 381 HA SER 51 HA SER 51 -7.778 -0.322 1.068 382 1HB SER 51 2HB SER 51 -9.866 0.740 1.794 383 2HB SER 51 1HB SER 51 -10.689 0.113 0.365 384 HG SER 51 HG SER 51 -9.777 -2.022 1.300 385 H HIS 52 H HIS 52 -9.875 -0.379 -1.828 386 HA HIS 52 HA HIS 52 -9.788 -3.172 -2.167 387 1HB HIS 52 2HB HIS 52 -11.440 -1.778 -3.321 388 2HB HIS 52 1HB HIS 52 -10.158 -1.021 -4.265 389 HD1 HIS 52 HD1 HIS 52 -11.599 -4.518 -3.731 390 HD2 HIS 52 HD2 HIS 52 -9.681 -2.220 -6.615 391 HE1 HIS 52 HE1 HIS 52 -11.412 -5.973 -5.791 392 H ILE 53 H ILE 53 -7.769 -0.583 -3.461 393 HA ILE 53 HA ILE 53 -6.184 -2.078 -5.207 394 HB ILE 53 HB ILE 53 -5.315 0.278 -3.523 395 1HG1 ILE 53 2HG1 ILE 53 -6.477 0.196 -6.317 396 2HG1 ILE 53 1HG1 ILE 53 -7.334 0.727 -4.874 397 1HG2 ILE 53 1HG2 ILE 53 -3.338 0.169 -4.528 398 2HG2 ILE 53 2HG2 ILE 53 -4.095 0.093 -6.119 399 3HG2 ILE 53 3HG2 ILE 53 -3.817 -1.389 -5.203 400 1HD1 ILE 53 1HD1 ILE 53 -4.801 2.105 -5.333 401 2HD1 ILE 53 2HD1 ILE 53 -6.391 2.746 -4.917 402 3HD1 ILE 53 3HD1 ILE 53 -6.009 2.351 -6.594 403 H TRP 54 H TRP 54 -5.806 -1.542 -1.693 404 HA TRP 54 HA TRP 54 -3.281 -2.755 -1.476 405 1HB TRP 54 2HB TRP 54 -4.337 -1.533 0.404 406 2HB TRP 54 1HB TRP 54 -5.486 -2.860 0.592 407 HD1 TRP 54 HD1 TRP 54 -4.531 -5.194 1.546 408 HE1 TRP 54 HE1 TRP 54 -2.430 -5.746 2.933 409 HE3 TRP 54 HE3 TRP 54 -1.919 -0.853 0.824 410 HZ2 TRP 54 HZ2 TRP 54 0.000 -4.493 3.639 411 HZ3 TRP 54 HZ3 TRP 54 0.278 -0.608 1.900 412 HH2 TRP 54 HH2 TRP 54 1.218 -2.392 3.274 413 H GLU 55 H GLU 55 -6.497 -4.247 -0.940 414 HA GLU 55 HA GLU 55 -5.784 -6.811 -0.428 415 1HB GLU 55 2HB GLU 55 -8.061 -5.529 -1.738 416 2HB GLU 55 1HB GLU 55 -7.816 -7.191 -2.250 417 1HG GLU 55 2HG GLU 55 -9.372 -6.958 -0.349 418 2HG GLU 55 1HG GLU 55 -7.978 -7.978 0.000 419 H LEU 56 H LEU 56 -6.133 -5.444 -3.688 420 HA LEU 56 HA LEU 56 -5.221 -7.740 -5.050 421 1HB LEU 56 2HB LEU 56 -5.732 -4.901 -5.726 422 2HB LEU 56 1HB LEU 56 -4.726 -5.803 -6.836 423 HG LEU 56 HG LEU 56 -7.082 -5.800 -7.531 424 1HD1 LEU 56 1HD1 LEU 56 -5.397 -8.050 -7.232 425 2HD1 LEU 56 2HD1 LEU 56 -6.656 -7.777 -8.436 426 3HD1 LEU 56 3HD1 LEU 56 -7.050 -8.579 -6.916 427 1HD2 LEU 56 1HD2 LEU 56 -7.984 -5.673 -5.190 428 2HD2 LEU 56 2HD2 LEU 56 -7.642 -7.396 -5.040 429 3HD2 LEU 56 3HD2 LEU 56 -8.800 -6.828 -6.243 430 H SER 57 H SER 57 -3.527 -4.901 -3.831 431 HA SER 57 HA SER 57 -1.028 -5.558 -5.067 432 1HB SER 57 2HB SER 57 -1.595 -3.671 -2.773 433 2HB SER 57 1HB SER 57 -0.146 -3.697 -3.772 434 HG SER 57 HG SER 57 -2.769 -2.935 -4.476 435 H ASP 58 H ASP 58 -2.531 -6.286 -2.010 436 HA ASP 58 HA ASP 58 -0.049 -7.386 -0.915 437 1HB ASP 58 2HB ASP 58 -1.728 -5.826 0.359 438 2HB ASP 58 1HB ASP 58 -2.618 -7.321 0.605 439 H PHE 59 H PHE 59 -0.673 -8.912 -2.912 440 HA PHE 59 HA PHE 59 -2.568 -10.940 -2.584 441 1HB PHE 59 2HB PHE 59 -0.435 -10.365 -4.373 442 2HB PHE 59 1HB PHE 59 -0.255 -12.037 -3.853 443 HD1 PHE 59 HD1 PHE 59 -1.017 -13.427 -5.493 444 HD2 PHE 59 HD2 PHE 59 -3.242 -9.921 -4.571 445 HE1 PHE 59 HE1 PHE 59 -2.749 -14.111 -7.099 446 HE2 PHE 59 HE2 PHE 59 -4.981 -10.599 -6.174 447 HZ PHE 59 HZ PHE 59 -4.734 -12.695 -7.443 448 H ASP 60 H ASP 60 0.064 -10.293 -0.655 449 HA ASP 60 HA ASP 60 0.457 -13.089 0.117 450 1HB ASP 60 2HB ASP 60 2.256 -12.072 1.612 451 2HB ASP 60 1HB ASP 60 2.520 -11.927 -0.129 452 H LYS 61 H LYS 61 -0.751 -10.020 1.358 453 HA LYS 61 HA LYS 61 -2.264 -9.605 3.035 454 1HB LYS 61 2HB LYS 61 -2.378 -12.500 2.808 455 2HB LYS 61 1HB LYS 61 -2.609 -11.967 4.467 456 1HG LYS 61 2HG LYS 61 -4.723 -12.187 3.277 457 2HG LYS 61 1HG LYS 61 -4.419 -10.521 3.774 458 1HD LYS 61 2HD LYS 61 -3.652 -9.986 1.518 459 2HD LYS 61 1HD LYS 61 -3.961 -11.650 1.018 460 1HE LYS 61 2HE LYS 61 -6.286 -11.409 1.290 461 2HE LYS 61 1HE LYS 61 -6.108 -9.910 2.200 462 1HZ LYS 61 1HZ LYS 61 -4.909 -9.550 -0.299 463 2HZ LYS 61 2HZ LYS 61 -6.297 -8.802 0.309 464 3HZ LYS 61 3HZ LYS 61 -6.431 -10.240 -0.565 465 H ASP 62 H ASP 62 0.464 -9.221 3.316 466 HA ASP 62 HA ASP 62 1.086 -10.098 6.051 467 1HB ASP 62 2HB ASP 62 3.347 -9.072 5.521 468 2HB ASP 62 1HB ASP 62 2.896 -10.474 4.554 469 H GLY 63 H GLY 63 -0.023 -7.335 4.330 470 1HA GLY 63 2HA GLY 63 -0.773 -5.319 5.249 471 2HA GLY 63 1HA GLY 63 -0.081 -5.791 6.797 472 H ALA 64 H ALA 64 1.913 -6.164 4.120 473 HA ALA 64 HA ALA 64 3.215 -3.564 4.381 474 1HB ALA 64 1HB ALA 64 5.295 -5.456 4.150 475 2HB ALA 64 2HB ALA 64 4.263 -5.992 5.476 476 3HB ALA 64 3HB ALA 64 4.961 -4.372 5.499 477 H LEU 65 H LEU 65 3.878 -2.801 2.465 478 HA LEU 65 HA LEU 65 3.497 -4.506 0.136 479 1HB LEU 65 2HB LEU 65 3.126 -1.693 0.735 480 2HB LEU 65 1HB LEU 65 3.979 -1.948 -0.775 481 HG LEU 65 HG LEU 65 2.174 -3.188 -1.696 482 1HD1 LEU 65 1HD1 LEU 65 1.592 -3.757 1.038 483 2HD1 LEU 65 2HD1 LEU 65 0.955 -4.521 -0.418 484 3HD1 LEU 65 3HD1 LEU 65 0.151 -3.104 0.256 485 1HD2 LEU 65 1HD2 LEU 65 1.935 -0.711 -1.603 486 2HD2 LEU 65 2HD2 LEU 65 0.932 -0.913 -0.167 487 3HD2 LEU 65 3HD2 LEU 65 0.406 -1.583 -1.711 488 H THR 66 H THR 66 5.116 -5.322 -0.906 489 HA THR 66 HA THR 66 7.837 -4.441 -0.413 490 HB THR 66 HB THR 66 7.831 -6.753 -0.521 491 HG1 THR 66 HG1 THR 66 9.404 -6.439 -1.954 492 1HG2 THR 66 1HG2 THR 66 5.742 -7.466 -1.121 493 2HG2 THR 66 2HG2 THR 66 6.610 -7.849 -2.607 494 3HG2 THR 66 3HG2 THR 66 5.644 -6.376 -2.502 495 H LEU 67 H LEU 67 9.303 -4.014 -2.259 496 HA LEU 67 HA LEU 67 8.538 -1.934 -3.839 497 1HB LEU 67 2HB LEU 67 10.864 -2.928 -3.549 498 2HB LEU 67 1HB LEU 67 10.441 -4.072 -4.806 499 HG LEU 67 HG LEU 67 11.767 -2.266 -5.727 500 1HD1 LEU 67 1HD1 LEU 67 10.485 -1.823 -7.610 501 2HD1 LEU 67 2HD1 LEU 67 8.984 -1.730 -6.689 502 3HD1 LEU 67 3HD1 LEU 67 9.752 -3.293 -6.967 503 1HD2 LEU 67 1HD2 LEU 67 10.329 0.003 -5.792 504 2HD2 LEU 67 2HD2 LEU 67 11.561 -0.337 -4.576 505 3HD2 LEU 67 3HD2 LEU 67 9.858 -0.613 -4.208 506 H ASP 68 H ASP 68 8.116 -5.383 -4.518 507 HA ASP 68 HA ASP 68 7.194 -5.149 -7.170 508 1HB ASP 68 2HB ASP 68 7.564 -7.209 -5.287 509 2HB ASP 68 1HB ASP 68 5.878 -7.290 -5.773 510 H GLU 69 H GLU 69 5.345 -5.489 -4.144 511 HA GLU 69 HA GLU 69 2.802 -5.138 -5.241 512 1HB GLU 69 2HB GLU 69 3.843 -4.359 -2.504 513 2HB GLU 69 1HB GLU 69 2.139 -4.435 -2.937 514 1HG GLU 69 2HG GLU 69 2.269 -6.803 -3.278 515 2HG GLU 69 1HG GLU 69 4.018 -6.778 -3.086 516 H PHE 70 H PHE 70 5.206 -2.873 -4.082 517 HA PHE 70 HA PHE 70 3.789 -0.480 -4.255 518 1HB PHE 70 2HB PHE 70 5.898 -0.440 -3.179 519 2HB PHE 70 1HB PHE 70 6.696 -1.206 -4.543 520 HD1 PHE 70 HD1 PHE 70 4.334 1.589 -4.884 521 HD2 PHE 70 HD2 PHE 70 8.408 0.385 -4.793 522 HE1 PHE 70 HE1 PHE 70 4.998 3.785 -5.771 523 HE2 PHE 70 HE2 PHE 70 9.083 2.571 -5.680 524 HZ PHE 70 HZ PHE 70 7.381 4.279 -6.163 525 H CYS 71 H CYS 71 5.972 -1.937 -6.653 526 HA CYS 71 HA CYS 71 5.618 -0.109 -8.711 527 1HB CYS 71 2HB CYS 71 6.840 -2.640 -8.387 528 2HB CYS 71 1HB CYS 71 5.822 -2.748 -9.818 529 HG CYS 71 HG CYS 71 8.698 -1.102 -9.365 530 H ALA 72 H ALA 72 3.898 -3.208 -8.276 531 HA ALA 72 HA ALA 72 2.146 -2.904 -10.432 532 1HB ALA 72 1HB ALA 72 2.223 -4.572 -7.997 533 2HB ALA 72 2HB ALA 72 2.043 -5.035 -9.689 534 3HB ALA 72 3HB ALA 72 0.658 -4.407 -8.795 535 H ALA 73 H ALA 73 1.618 -2.115 -6.996 536 HA ALA 73 HA ALA 73 -0.989 -1.140 -7.274 537 1HB ALA 73 1HB ALA 73 1.175 -0.584 -5.271 538 2HB ALA 73 2HB ALA 73 -0.261 -1.593 -5.093 539 3HB ALA 73 3HB ALA 73 -0.420 0.161 -5.159 540 H PHE 74 H PHE 74 2.077 0.698 -7.161 541 HA PHE 74 HA PHE 74 1.003 3.225 -7.589 542 1HB PHE 74 2HB PHE 74 3.458 2.449 -7.094 543 2HB PHE 74 1HB PHE 74 3.614 2.461 -8.848 544 HD1 PHE 74 HD1 PHE 74 4.273 4.414 -9.886 545 HD2 PHE 74 HD2 PHE 74 2.431 4.619 -6.056 546 HE1 PHE 74 HE1 PHE 74 4.692 6.838 -9.817 547 HE2 PHE 74 HE2 PHE 74 2.844 7.042 -5.982 548 HZ PHE 74 HZ PHE 74 3.975 8.155 -7.863 549 H HIS 75 H HIS 75 2.273 0.929 -10.036 550 HA HIS 75 HA HIS 75 1.700 2.450 -12.296 551 1HB HIS 75 2HB HIS 75 2.667 -0.089 -11.720 552 2HB HIS 75 1HB HIS 75 1.223 -0.387 -12.668 553 HD1 HIS 75 HD1 HIS 75 4.095 2.116 -13.026 554 HD2 HIS 75 HD2 HIS 75 1.911 -0.631 -15.239 555 HE1 HIS 75 HE1 HIS 75 5.035 2.191 -15.369 556 H LEU 76 H LEU 76 -0.273 -0.025 -10.675 557 HA LEU 76 HA LEU 76 -2.520 0.103 -12.312 558 1HB LEU 76 2HB LEU 76 -2.466 -1.665 -10.798 559 2HB LEU 76 1HB LEU 76 -2.074 -0.623 -9.443 560 HG LEU 76 HG LEU 76 -4.345 0.294 -9.505 561 1HD1 LEU 76 1HD1 LEU 76 -5.277 0.138 -11.563 562 2HD1 LEU 76 2HD1 LEU 76 -5.936 -1.351 -10.883 563 3HD1 LEU 76 3HD1 LEU 76 -4.507 -1.408 -11.915 564 1HD2 LEU 76 1HD2 LEU 76 -3.575 -1.901 -8.285 565 2HD2 LEU 76 2HD2 LEU 76 -4.715 -2.657 -9.399 566 3HD2 LEU 76 3HD2 LEU 76 -5.268 -1.408 -8.282 567 H VAL 77 H VAL 77 -1.736 1.964 -9.390 568 HA VAL 77 HA VAL 77 -4.095 3.436 -9.207 569 HB VAL 77 HB VAL 77 -1.291 4.330 -8.521 570 1HG1 VAL 77 1HG1 VAL 77 -2.111 6.281 -7.839 571 2HG1 VAL 77 2HG1 VAL 77 -3.393 5.488 -6.925 572 3HG1 VAL 77 3HG1 VAL 77 -3.627 5.854 -8.633 573 1HG2 VAL 77 1HG2 VAL 77 -3.302 3.431 -6.510 574 2HG2 VAL 77 2HG2 VAL 77 -1.540 3.383 -6.442 575 3HG2 VAL 77 3HG2 VAL 77 -2.416 2.221 -7.438 576 H VAL 78 H VAL 78 -1.139 4.048 -11.022 577 HA VAL 78 HA VAL 78 -1.738 6.568 -12.045 578 HB VAL 78 HB VAL 78 -0.241 4.286 -13.325 579 1HG1 VAL 78 1HG1 VAL 78 -0.355 5.558 -15.178 580 2HG1 VAL 78 2HG1 VAL 78 0.837 6.568 -14.362 581 3HG1 VAL 78 3HG1 VAL 78 -0.874 6.986 -14.281 582 1HG2 VAL 78 1HG2 VAL 78 1.666 5.048 -12.303 583 2HG2 VAL 78 2HG2 VAL 78 0.461 5.391 -11.062 584 3HG2 VAL 78 3HG2 VAL 78 1.041 6.686 -12.110 585 H ALA 79 H ALA 79 -2.422 3.359 -13.408 586 HA ALA 79 HA ALA 79 -3.739 4.249 -15.719 587 1HB ALA 79 1HB ALA 79 -4.787 1.741 -14.716 588 2HB ALA 79 2HB ALA 79 -3.025 1.805 -14.651 589 3HB ALA 79 3HB ALA 79 -3.862 2.080 -16.180 590 H ARG 80 H ARG 80 -5.040 3.441 -12.494 591 HA ARG 80 HA ARG 80 -7.736 3.514 -13.028 592 1HB ARG 80 2HB ARG 80 -6.863 2.959 -10.821 593 2HB ARG 80 1HB ARG 80 -6.344 4.623 -10.587 594 1HG ARG 80 2HG ARG 80 -9.223 4.049 -11.137 595 2HG ARG 80 1HG ARG 80 -8.568 3.772 -9.524 596 1HD ARG 80 2HD ARG 80 -7.806 6.081 -9.428 597 2HD ARG 80 1HD ARG 80 -8.416 6.366 -11.062 598 HE ARG 80 HE ARG 80 -10.527 5.458 -9.471 599 1HH1 ARG 80 2HH1 ARG 80 -8.499 8.208 -9.843 600 2HH1 ARG 80 1HH1 ARG 80 -9.609 9.289 -9.081 601 1HH2 ARG 80 1HH2 ARG 80 -11.996 6.848 -8.485 602 2HH2 ARG 80 2HH2 ARG 80 -11.595 8.519 -8.320 603 H LYS 81 H LYS 81 -5.605 6.306 -12.482 604 HA LYS 81 HA LYS 81 -7.504 8.321 -12.451 605 1HB LYS 81 2HB LYS 81 -4.641 8.182 -13.217 606 2HB LYS 81 1HB LYS 81 -5.536 9.606 -13.736 607 1HG LYS 81 2HG LYS 81 -5.978 10.282 -11.559 608 2HG LYS 81 1HG LYS 81 -5.659 8.680 -10.892 609 1HD LYS 81 2HD LYS 81 -3.276 8.950 -11.411 610 2HD LYS 81 1HD LYS 81 -3.605 10.556 -12.067 611 1HE LYS 81 2HE LYS 81 -4.334 11.344 -9.912 612 2HE LYS 81 1HE LYS 81 -4.211 9.723 -9.232 613 1HZ LYS 81 1HZ LYS 81 -1.727 10.223 -10.252 614 2HZ LYS 81 2HZ LYS 81 -2.169 10.306 -8.622 615 3HZ LYS 81 3HZ LYS 81 -2.183 11.705 -9.573 616 H ASN 82 H ASN 82 -6.396 6.441 -15.172 617 HA ASN 82 HA ASN 82 -8.107 8.075 -16.929 618 1HB ASN 82 2HB ASN 82 -5.692 6.387 -17.567 619 2HB ASN 82 1HB ASN 82 -6.817 6.934 -18.807 620 1HD2 ASN 82 1HD2 ASN 82 -6.210 8.697 -19.805 621 2HD2 ASN 82 2HD2 ASN 82 -5.259 9.971 -19.137 622 H GLY 83 H GLY 83 -9.237 6.211 -15.197 623 1HA GLY 83 2HA GLY 83 -10.687 4.608 -17.078 624 2HA GLY 83 1HA GLY 83 -9.668 3.648 -16.013 625 H TYR 84 H TYR 84 -11.764 2.742 -15.304 626 HA TYR 84 HA TYR 84 -12.689 4.154 -12.955 627 1HB TYR 84 2HB TYR 84 -14.695 3.384 -15.080 628 2HB TYR 84 1HB TYR 84 -15.036 4.171 -13.543 629 HD1 TYR 84 HD1 TYR 84 -13.317 4.649 -16.799 630 HD2 TYR 84 HD2 TYR 84 -15.009 6.513 -13.371 631 HE1 TYR 84 HE1 TYR 84 -13.083 6.840 -17.885 632 HE2 TYR 84 HE2 TYR 84 -14.782 8.712 -14.449 633 HH TYR 84 HH TYR 84 -14.330 9.162 -17.634 634 H ASP 85 H ASP 85 -13.799 1.472 -15.052 635 HA ASP 85 HA ASP 85 -14.565 -0.150 -12.844 636 1HB ASP 85 2HB ASP 85 -15.517 -0.299 -15.170 637 2HB ASP 85 1HB ASP 85 -14.018 -1.081 -15.664 638 H LEU 86 H LEU 86 -13.641 -2.197 -12.197 639 HA LEU 86 HA LEU 86 -10.766 -2.427 -12.806 640 1HB LEU 86 2HB LEU 86 -12.055 -2.700 -10.098 641 2HB LEU 86 1HB LEU 86 -10.400 -3.159 -10.452 642 HG LEU 86 HG LEU 86 -10.259 -0.648 -11.294 643 1HD1 LEU 86 1HD1 LEU 86 -12.840 -0.677 -10.336 644 2HD1 LEU 86 2HD1 LEU 86 -11.855 0.756 -10.631 645 3HD1 LEU 86 3HD1 LEU 86 -11.921 0.049 -9.018 646 1HD2 LEU 86 1HD2 LEU 86 -9.016 -1.867 -9.432 647 2HD2 LEU 86 2HD2 LEU 86 -10.224 -1.190 -8.339 648 3HD2 LEU 86 3HD2 LEU 86 -9.184 -0.118 -9.278 649 HA PRO 87 HA PRO 87 -11.304 -6.680 -13.726 650 1HB PRO 87 2HB PRO 87 -9.109 -7.761 -12.450 651 2HB PRO 87 1HB PRO 87 -9.065 -6.970 -14.029 652 1HG PRO 87 2HG PRO 87 -8.394 -5.862 -11.332 653 2HG PRO 87 1HG PRO 87 -7.555 -5.631 -12.879 654 1HD PRO 87 2HD PRO 87 -9.165 -3.741 -11.881 655 2HD PRO 87 1HD PRO 87 -9.107 -4.068 -13.627 656 H GLU 88 H GLU 88 -11.172 -5.588 -10.469 657 HA GLU 88 HA GLU 88 -11.874 -6.458 -8.474 658 1HB GLU 88 2HB GLU 88 -13.986 -6.249 -9.780 659 2HB GLU 88 1HB GLU 88 -13.809 -7.926 -10.273 660 1HG GLU 88 2HG GLU 88 -13.972 -8.630 -7.938 661 2HG GLU 88 1HG GLU 88 -14.154 -6.947 -7.448 662 H LYS 89 H LYS 89 -9.695 -7.922 -9.680 663 HA LYS 89 HA LYS 89 -9.935 -10.651 -9.801 664 1HB LYS 89 2HB LYS 89 -7.771 -8.786 -9.316 665 2HB LYS 89 1HB LYS 89 -7.536 -10.284 -8.426 666 1HG LYS 89 2HG LYS 89 -6.581 -10.979 -10.327 667 2HG LYS 89 1HG LYS 89 -8.243 -11.256 -10.844 668 1HD LYS 89 2HD LYS 89 -7.123 -10.063 -12.586 669 2HD LYS 89 1HD LYS 89 -8.241 -8.942 -11.804 670 1HE LYS 89 2HE LYS 89 -6.437 -7.954 -10.543 671 2HE LYS 89 1HE LYS 89 -5.301 -9.148 -11.166 672 1HZ LYS 89 1HZ LYS 89 -4.922 -7.291 -12.471 673 2HZ LYS 89 2HZ LYS 89 -6.561 -6.889 -12.581 674 3HZ LYS 89 3HZ LYS 89 -5.957 -8.212 -13.441 675 H LEU 90 H LEU 90 -9.259 -8.781 -6.831 676 HA LEU 90 HA LEU 90 -9.427 -11.100 -5.175 677 1HB LEU 90 2HB LEU 90 -8.067 -9.241 -4.480 678 2HB LEU 90 1HB LEU 90 -9.454 -8.168 -4.498 679 HG LEU 90 HG LEU 90 -9.808 -10.484 -2.750 680 1HD1 LEU 90 1HD1 LEU 90 -8.319 -9.309 -0.991 681 2HD1 LEU 90 2HD1 LEU 90 -7.484 -8.637 -2.392 682 3HD1 LEU 90 3HD1 LEU 90 -7.569 -10.384 -2.171 683 1HD2 LEU 90 1HD2 LEU 90 -9.900 -7.610 -1.938 684 2HD2 LEU 90 2HD2 LEU 90 -10.908 -8.958 -1.409 685 3HD2 LEU 90 3HD2 LEU 90 -11.138 -8.259 -3.013 686 HA PRO 91 HA PRO 91 -13.864 -11.190 -4.952 687 1HB PRO 91 2HB PRO 91 -14.077 -13.168 -3.117 688 2HB PRO 91 1HB PRO 91 -13.666 -13.471 -4.808 689 1HG PRO 91 2HG PRO 91 -11.879 -13.324 -2.418 690 2HG PRO 91 1HG PRO 91 -11.830 -14.450 -3.787 691 1HD PRO 91 2HD PRO 91 -10.179 -12.288 -3.558 692 2HD PRO 91 1HD PRO 91 -10.679 -12.973 -5.118 693 H GLU 92 H GLU 92 -14.320 -9.214 -4.005 694 HA GLU 92 HA GLU 92 -13.835 -8.636 -1.252 695 1HB GLU 92 2HB GLU 92 -14.079 -7.007 -3.203 696 2HB GLU 92 1HB GLU 92 -15.811 -7.256 -3.070 697 1HG GLU 92 2HG GLU 92 -15.865 -6.281 -0.903 698 2HG GLU 92 1HG GLU 92 -14.107 -6.267 -0.798 699 H SER 93 H SER 93 -15.107 -11.078 -1.343 700 HA SER 93 HA SER 93 -17.880 -10.579 -0.494 701 1HB SER 93 2HB SER 93 -17.563 -12.279 -2.254 702 2HB SER 93 1HB SER 93 -16.519 -13.198 -1.171 703 HG SER 93 HG SER 93 -19.295 -12.779 -1.041 704 H LEU 94 H LEU 94 -14.897 -12.195 0.553 705 HA LEU 94 HA LEU 94 -16.050 -12.559 3.223 706 1HB LEU 94 2HB LEU 94 -13.430 -13.594 2.123 707 2HB LEU 94 1HB LEU 94 -14.146 -14.016 3.668 708 HG LEU 94 HG LEU 94 -16.072 -15.029 2.432 709 1HD1 LEU 94 1HD1 LEU 94 -16.095 -14.007 0.344 710 2HD1 LEU 94 2HD1 LEU 94 -15.469 -15.620 0.001 711 3HD1 LEU 94 3HD1 LEU 94 -14.365 -14.247 0.099 712 1HD2 LEU 94 1HD2 LEU 94 -13.878 -16.556 1.305 713 2HD2 LEU 94 2HD2 LEU 94 -15.019 -16.987 2.578 714 3HD2 LEU 94 3HD2 LEU 94 -13.565 -16.069 2.971 715 H MET 95 H MET 95 -15.573 -9.961 2.515 716 HA MET 95 HA MET 95 -13.700 -9.149 4.539 717 1HB MET 95 2HB MET 95 -12.968 -9.205 1.740 718 2HB MET 95 1HB MET 95 -12.871 -7.580 2.394 719 1HG MET 95 2HG MET 95 -11.493 -10.031 3.456 720 2HG MET 95 1HG MET 95 -10.745 -8.685 2.595 721 1HE MET 95 1HE MET 95 -9.147 -9.063 4.357 722 2HE MET 95 2HE MET 95 -9.672 -9.442 5.997 723 3HE MET 95 3HE MET 95 -9.038 -7.839 5.627 724 HA PRO 96 HA PRO 96 -17.468 -6.444 4.021 725 1HB PRO 96 2HB PRO 96 -17.658 -6.030 6.742 726 2HB PRO 96 1HB PRO 96 -18.497 -7.310 5.861 727 1HG PRO 96 2HG PRO 96 -15.961 -7.441 7.437 728 2HG PRO 96 1HG PRO 96 -17.297 -8.606 7.361 729 1HD PRO 96 2HD PRO 96 -15.007 -9.008 6.021 730 2HD PRO 96 1HD PRO 96 -16.576 -9.490 5.342 731 H LYS 97 HN LYS 97 -17.729 -4.181 4.562 732 HA LYS 97 HA LYS 97 -15.151 -2.822 4.886 733 1HB LYS 97 2HB LYS 97 -17.773 -1.586 4.041 734 2HB LYS 97 1HB LYS 97 -16.161 -0.905 3.866 735 1HG LYS 97 2HG LYS 97 -16.762 -1.642 1.726 736 2HG LYS 97 1HG LYS 97 -15.657 -2.874 2.345 737 1HD LYS 97 2HD LYS 97 -17.743 -4.120 3.116 738 2HD LYS 97 1HD LYS 97 -18.653 -2.998 2.100 739 1HE LYS 97 2HE LYS 97 -16.451 -4.850 1.195 740 2HE LYS 97 1HE LYS 97 -18.174 -5.077 0.911 741 1HZ LYS 97 1HZ LYS 97 -17.941 -2.745 -0.209 742 2HZ LYS 97 2HZ LYS 97 -17.492 -4.141 -1.053 743 3HZ LYS 97 3HZ LYS 97 -16.312 -3.181 -0.336 Start of MODEL 23 1 1H TRP 6 1H TRP 6 -1.339 -5.547 -19.083 2 2H TRP 6 2H TRP 6 0.033 -5.951 -19.990 3 3H TRP 6 3H TRP 6 -0.819 -4.530 -20.332 4 HA TRP 6 HA TRP 6 -0.118 -3.470 -18.393 5 1HB TRP 6 2HB TRP 6 0.927 -6.181 -17.537 6 2HB TRP 6 1HB TRP 6 1.071 -4.687 -16.611 7 HD1 TRP 6 HD1 TRP 6 -1.387 -7.447 -17.463 8 HE1 TRP 6 HE1 TRP 6 -3.538 -7.124 -16.086 9 HE3 TRP 6 HE3 TRP 6 -0.416 -2.817 -15.529 10 HZ2 TRP 6 HZ2 TRP 6 -4.674 -5.153 -14.408 11 HZ3 TRP 6 HZ3 TRP 6 -2.085 -1.780 -14.056 12 HH2 TRP 6 HH2 TRP 6 -4.167 -2.919 -13.507 13 H LYS 7 H LYS 7 1.956 -2.489 -18.116 14 HA LYS 7 HA LYS 7 4.338 -3.600 -19.182 15 1HB LYS 7 2HB LYS 7 4.432 -1.829 -21.092 16 2HB LYS 7 1HB LYS 7 3.563 -3.339 -21.348 17 1HG LYS 7 2HG LYS 7 1.461 -2.200 -20.773 18 2HG LYS 7 1HG LYS 7 2.347 -0.684 -20.608 19 1HD LYS 7 2HD LYS 7 2.951 -0.727 -22.934 20 2HD LYS 7 1HD LYS 7 2.263 -2.342 -23.124 21 1HE LYS 7 2HE LYS 7 0.734 -0.667 -24.006 22 2HE LYS 7 1HE LYS 7 0.042 -1.446 -22.585 23 1HZ LYS 7 1HZ LYS 7 0.837 1.309 -22.971 24 2HZ LYS 7 2HZ LYS 7 1.287 0.645 -21.481 25 3HZ LYS 7 3HZ LYS 7 -0.338 0.651 -21.949 26 H ILE 8 H ILE 8 5.976 -2.616 -18.174 27 HA ILE 8 HA ILE 8 5.555 0.137 -17.199 28 HB ILE 8 HB ILE 8 7.348 -1.979 -16.014 29 1HG1 ILE 8 2HG1 ILE 8 4.696 -0.912 -15.034 30 2HG1 ILE 8 1HG1 ILE 8 4.951 -2.506 -15.737 31 1HG2 ILE 8 1HG2 ILE 8 6.520 0.627 -14.771 32 2HG2 ILE 8 2HG2 ILE 8 7.980 0.466 -15.748 33 3HG2 ILE 8 3HG2 ILE 8 7.802 -0.471 -14.264 34 1HD1 ILE 8 1HD1 ILE 8 6.549 -2.961 -13.866 35 2HD1 ILE 8 2HD1 ILE 8 4.863 -2.765 -13.386 36 3HD1 ILE 8 3HD1 ILE 8 6.012 -1.450 -13.136 37 H THR 9 H THR 9 6.727 1.602 -18.233 38 HA THR 9 HA THR 9 9.026 0.883 -19.820 39 HB THR 9 HB THR 9 8.271 3.723 -19.176 40 HG1 THR 9 HG1 THR 9 6.882 3.518 -21.094 41 1HG2 THR 9 1HG2 THR 9 10.291 2.736 -20.652 42 2HG2 THR 9 2HG2 THR 9 9.505 4.277 -20.989 43 3HG2 THR 9 3HG2 THR 9 9.034 2.835 -21.887 44 H ASP 10 H ASP 10 11.156 1.235 -19.374 45 HA ASP 10 HA ASP 10 12.100 1.253 -16.792 46 1HB ASP 10 2HB ASP 10 13.293 0.885 -19.111 47 2HB ASP 10 1HB ASP 10 13.739 2.577 -18.909 48 H GLU 11 H GLU 11 11.551 4.058 -18.911 49 HA GLU 11 HA GLU 11 12.683 6.046 -17.306 50 1HB GLU 11 2HB GLU 11 11.018 5.939 -19.607 51 2HB GLU 11 1HB GLU 11 10.250 7.028 -18.460 52 1HG GLU 11 2HG GLU 11 12.305 8.326 -18.307 53 2HG GLU 11 1HG GLU 11 13.081 7.235 -19.457 54 H GLN 12 H GLN 12 9.358 4.890 -17.438 55 HA GLN 12 HA GLN 12 8.363 6.384 -15.285 56 1HB GLN 12 2HB GLN 12 7.452 4.285 -17.053 57 2HB GLN 12 1HB GLN 12 6.900 3.992 -15.409 58 1HG GLN 12 2HG GLN 12 6.465 6.504 -17.008 59 2HG GLN 12 1HG GLN 12 5.261 5.262 -16.666 60 1HE2 GLN 12 1HE2 GLN 12 3.986 5.626 -14.999 61 2HE2 GLN 12 2HE2 GLN 12 4.320 6.685 -13.679 62 H ARG 13 H ARG 13 9.788 3.150 -15.475 63 HA ARG 13 HA ARG 13 9.313 2.170 -12.963 64 1HB ARG 13 2HB ARG 13 10.556 0.943 -14.683 65 2HB ARG 13 1HB ARG 13 11.918 2.041 -14.490 66 1HG ARG 13 2HG ARG 13 11.832 1.286 -12.009 67 2HG ARG 13 1HG ARG 13 10.928 -0.087 -12.652 68 1HD ARG 13 2HD ARG 13 12.771 -0.562 -14.196 69 2HD ARG 13 1HD ARG 13 13.671 0.803 -13.530 70 HE ARG 13 HE ARG 13 12.866 -1.174 -11.591 71 1HH1 ARG 13 2HH1 ARG 13 15.303 -0.140 -13.803 72 2HH1 ARG 13 1HH1 ARG 13 16.572 -1.005 -13.010 73 1HH2 ARG 13 1HH2 ARG 13 14.509 -2.323 -10.543 74 2HH2 ARG 13 2HH2 ARG 13 16.119 -2.238 -11.163 75 H GLN 14 H GLN 14 12.096 4.210 -13.883 76 HA GLN 14 HA GLN 14 13.014 4.546 -11.218 77 1HB GLN 14 2HB GLN 14 14.365 6.415 -12.230 78 2HB GLN 14 1HB GLN 14 14.580 4.843 -12.984 79 1HG GLN 14 2HG GLN 14 13.012 5.516 -14.760 80 2HG GLN 14 1HG GLN 14 12.888 7.107 -14.014 81 1HE2 GLN 14 1HE2 GLN 14 14.041 8.560 -15.057 82 2HE2 GLN 14 2HE2 GLN 14 15.571 8.296 -15.815 83 H TYR 15 H TYR 15 10.689 6.255 -13.193 84 HA TYR 15 HA TYR 15 10.556 8.720 -11.958 85 1HB TYR 15 2HB TYR 15 9.219 7.891 -13.949 86 2HB TYR 15 1HB TYR 15 8.119 7.153 -12.792 87 HD1 TYR 15 HD1 TYR 15 9.809 10.484 -12.977 88 HD2 TYR 15 HD2 TYR 15 6.143 8.348 -12.669 89 HE1 TYR 15 HE1 TYR 15 8.589 12.613 -12.821 90 HE2 TYR 15 HE2 TYR 15 4.911 10.472 -12.512 91 HH TYR 15 HH TYR 15 5.750 13.038 -11.662 92 H TYR 16 H TYR 16 8.634 5.835 -11.046 93 HA TYR 16 HA TYR 16 7.532 7.074 -8.745 94 1HB TYR 16 2HB TYR 16 6.670 4.889 -8.170 95 2HB TYR 16 1HB TYR 16 6.511 5.125 -9.905 96 HD1 TYR 16 HD1 TYR 16 7.154 3.398 -11.302 97 HD2 TYR 16 HD2 TYR 16 8.894 3.677 -7.433 98 HE1 TYR 16 HE1 TYR 16 8.347 1.280 -11.690 99 HE2 TYR 16 HE2 TYR 16 10.089 1.567 -7.805 100 HH TYR 16 HH TYR 16 10.738 0.077 -9.413 101 H VAL 17 H VAL 17 10.292 4.916 -9.217 102 HA VAL 17 HA VAL 17 11.019 4.424 -6.593 103 HB VAL 17 HB VAL 17 12.951 5.033 -8.835 104 1HG1 VAL 17 1HG1 VAL 17 14.438 4.737 -7.190 105 2HG1 VAL 17 2HG1 VAL 17 14.023 3.026 -7.316 106 3HG1 VAL 17 3HG1 VAL 17 13.236 4.039 -6.105 107 1HG2 VAL 17 1HG2 VAL 17 12.810 2.818 -9.564 108 2HG2 VAL 17 2HG2 VAL 17 11.132 3.297 -9.311 109 3HG2 VAL 17 3HG2 VAL 17 11.955 2.299 -8.112 110 H ASN 18 H ASN 18 11.954 7.156 -8.659 111 HA ASN 18 HA ASN 18 13.653 8.531 -7.059 112 1HB ASN 18 2HB ASN 18 11.645 9.282 -9.091 113 2HB ASN 18 1HB ASN 18 12.278 10.579 -8.094 114 1HD2 ASN 18 1HD2 ASN 18 12.663 9.220 -10.953 115 2HD2 ASN 18 2HD2 ASN 18 14.361 9.432 -11.189 116 H GLN 19 H GLN 19 10.100 8.622 -6.840 117 HA GLN 19 HA GLN 19 10.222 10.427 -4.569 118 1HB GLN 19 2HB GLN 19 7.859 9.021 -5.818 119 2HB GLN 19 1HB GLN 19 7.768 10.273 -4.589 120 1HG GLN 19 2HG GLN 19 8.799 11.859 -6.146 121 2HG GLN 19 1HG GLN 19 8.845 10.599 -7.380 122 1HE2 GLN 19 1HE2 GLN 19 7.231 13.242 -6.553 123 2HE2 GLN 19 2HE2 GLN 19 5.650 12.847 -7.123 124 H PHE 20 H PHE 20 8.962 7.126 -5.117 125 HA PHE 20 HA PHE 20 8.370 6.614 -2.426 126 1HB PHE 20 2HB PHE 20 8.422 5.077 -4.879 127 2HB PHE 20 1HB PHE 20 8.884 4.120 -3.475 128 HD1 PHE 20 HD1 PHE 20 6.405 6.821 -4.155 129 HD2 PHE 20 HD2 PHE 20 7.146 2.947 -2.559 130 HE1 PHE 20 HE1 PHE 20 4.053 6.665 -3.451 131 HE2 PHE 20 HE2 PHE 20 4.795 2.782 -1.859 132 HZ PHE 20 HZ PHE 20 3.254 4.646 -2.299 133 H LYS 21 H LYS 21 11.388 6.554 -4.082 134 HA LYS 21 HA LYS 21 12.963 4.774 -2.746 135 1HB LYS 21 2HB LYS 21 13.436 7.523 -3.792 136 2HB LYS 21 1HB LYS 21 14.680 6.826 -2.766 137 1HG LYS 21 2HG LYS 21 15.003 5.006 -4.277 138 2HG LYS 21 1HG LYS 21 13.601 5.482 -5.232 139 1HD LYS 21 2HD LYS 21 15.685 6.158 -6.321 140 2HD LYS 21 1HD LYS 21 14.723 7.563 -5.856 141 1HE LYS 21 2HE LYS 21 16.121 7.724 -3.784 142 2HE LYS 21 1HE LYS 21 17.149 6.457 -4.451 143 1HZ LYS 21 1HZ LYS 21 16.596 8.951 -5.937 144 2HZ LYS 21 2HZ LYS 21 17.845 7.839 -6.182 145 3HZ LYS 21 3HZ LYS 21 17.865 8.846 -4.823 146 H THR 22 H THR 22 11.593 7.740 -1.558 147 HA THR 22 HA THR 22 12.997 8.271 0.735 148 HB THR 22 HB THR 22 9.980 8.331 0.609 149 HG1 THR 22 HG1 THR 22 10.335 9.536 -1.125 150 1HG2 THR 22 1HG2 THR 22 12.022 10.065 2.003 151 2HG2 THR 22 2HG2 THR 22 10.937 8.904 2.770 152 3HG2 THR 22 3HG2 THR 22 10.282 10.347 1.997 153 H ILE 23 H ILE 23 10.676 5.733 0.143 154 HA ILE 23 HA ILE 23 11.197 4.634 2.825 155 HB ILE 23 HB ILE 23 8.651 4.395 1.218 156 1HG1 ILE 23 2HG1 ILE 23 9.209 5.914 3.777 157 2HG1 ILE 23 1HG1 ILE 23 8.991 6.642 2.189 158 1HG2 ILE 23 1HG2 ILE 23 9.703 2.972 3.550 159 2HG2 ILE 23 2HG2 ILE 23 8.433 2.515 2.415 160 3HG2 ILE 23 3HG2 ILE 23 8.068 3.600 3.756 161 1HD1 ILE 23 1HD1 ILE 23 7.000 5.498 4.046 162 2HD1 ILE 23 2HD1 ILE 23 6.709 5.293 2.317 163 3HD1 ILE 23 3HD1 ILE 23 6.896 6.911 2.995 164 H GLN 24 H GLN 24 10.186 3.761 -0.493 165 HA GLN 24 HA GLN 24 11.340 1.088 -0.070 166 1HB GLN 24 2HB GLN 24 8.896 1.524 -0.875 167 2HB GLN 24 1HB GLN 24 9.656 1.815 -2.432 168 1HG GLN 24 2HG GLN 24 8.856 -0.475 -2.223 169 2HG GLN 24 1HG GLN 24 10.607 -0.409 -2.419 170 1HE2 GLN 24 1HE2 GLN 24 8.158 -1.817 -0.702 171 2HE2 GLN 24 2HE2 GLN 24 9.070 -2.333 0.680 172 HA PRO 25 HA PRO 25 14.494 3.166 -2.748 173 1HB PRO 25 2HB PRO 25 16.609 1.824 -1.691 174 2HB PRO 25 1HB PRO 25 15.959 3.315 -1.001 175 1HG PRO 25 2HG PRO 25 15.499 0.480 -0.168 176 2HG PRO 25 1HG PRO 25 15.767 1.915 0.840 177 1HD PRO 25 2HD PRO 25 13.306 0.861 0.422 178 2HD PRO 25 1HD PRO 25 13.575 2.599 0.669 179 H ASP 26 H ASP 26 14.645 -0.293 -1.820 180 HA ASP 26 HA ASP 26 14.670 -1.018 -4.641 181 1HB ASP 26 2HB ASP 26 17.061 -0.672 -3.603 182 2HB ASP 26 1HB ASP 26 16.752 -2.237 -2.863 183 H LEU 27 H LEU 27 15.346 -3.768 -4.181 184 HA LEU 27 HA LEU 27 12.849 -4.640 -3.022 185 1HB LEU 27 2HB LEU 27 15.042 -6.191 -4.378 186 2HB LEU 27 1HB LEU 27 13.517 -6.874 -3.847 187 HG LEU 27 HG LEU 27 12.379 -5.195 -5.376 188 1HD1 LEU 27 1HD1 LEU 27 14.037 -3.594 -5.806 189 2HD1 LEU 27 2HD1 LEU 27 13.879 -4.496 -7.314 190 3HD1 LEU 27 3HD1 LEU 27 15.231 -4.820 -6.230 191 1HD2 LEU 27 1HD2 LEU 27 13.887 -6.806 -7.252 192 2HD2 LEU 27 2HD2 LEU 27 12.179 -6.875 -6.817 193 3HD2 LEU 27 3HD2 LEU 27 13.373 -7.731 -5.841 194 H ASN 28 H ASN 28 14.418 -3.571 -1.065 195 HA ASN 28 HA ASN 28 14.846 -5.925 0.625 196 1HB ASN 28 2HB ASN 28 17.058 -5.049 -0.332 197 2HB ASN 28 1HB ASN 28 16.805 -3.636 0.690 198 1HD2 ASN 28 1HD2 ASN 28 17.660 -3.728 2.638 199 2HD2 ASN 28 2HD2 ASN 28 18.084 -5.165 3.491 200 H GLY 29 H GLY 29 12.869 -3.776 0.241 201 1HA GLY 29 2HA GLY 29 12.653 -2.943 3.042 202 2HA GLY 29 1HA GLY 29 12.520 -1.719 1.784 203 H PHE 30 H PHE 30 10.429 -2.270 3.598 204 HA PHE 30 HA PHE 30 8.386 -3.162 1.704 205 1HB PHE 30 2HB PHE 30 8.380 -4.107 4.572 206 2HB PHE 30 1HB PHE 30 7.334 -4.635 3.255 207 HD1 PHE 30 HD1 PHE 30 10.334 -5.244 5.051 208 HD2 PHE 30 HD2 PHE 30 8.445 -5.834 1.286 209 HE1 PHE 30 HE1 PHE 30 11.925 -7.051 4.543 210 HE2 PHE 30 HE2 PHE 30 10.029 -7.645 0.772 211 HZ PHE 30 HZ PHE 30 11.769 -8.256 2.402 212 H ILE 31 H ILE 31 6.591 -1.987 1.750 213 HA ILE 31 HA ILE 31 6.431 0.213 3.668 214 HB ILE 31 HB ILE 31 5.212 -0.250 0.958 215 1HG1 ILE 31 2HG1 ILE 31 6.836 2.065 2.013 216 2HG1 ILE 31 1HG1 ILE 31 7.552 0.664 1.218 217 1HG2 ILE 31 1HG2 ILE 31 3.412 0.884 1.614 218 2HG2 ILE 31 2HG2 ILE 31 4.464 2.294 1.700 219 3HG2 ILE 31 3HG2 ILE 31 4.155 1.337 3.149 220 1HD1 ILE 31 1HD1 ILE 31 7.198 1.601 -0.753 221 2HD1 ILE 31 2HD1 ILE 31 6.492 3.004 0.050 222 3HD1 ILE 31 3HD1 ILE 31 5.463 1.653 -0.431 223 HA PRO 32 HA PRO 32 3.141 -2.197 5.579 224 1HB PRO 32 2HB PRO 32 2.726 -0.455 7.630 225 2HB PRO 32 1HB PRO 32 4.033 -1.645 7.629 226 1HG PRO 32 2HG PRO 32 4.122 1.270 6.967 227 2HG PRO 32 1HG PRO 32 5.274 0.297 7.901 228 1HD PRO 32 2HD PRO 32 5.695 0.991 5.315 229 2HD PRO 32 1HD PRO 32 6.302 -0.529 6.006 230 H GLY 33 H GLY 33 0.848 -1.866 5.764 231 1HA GLY 33 2HA GLY 33 -0.364 -0.351 3.829 232 2HA GLY 33 1HA GLY 33 -1.173 -0.810 5.321 233 H SER 34 H SER 34 0.618 0.678 7.025 234 HA SER 34 HA SER 34 -0.722 3.111 7.214 235 1HB SER 34 2HB SER 34 2.097 2.637 8.191 236 2HB SER 34 1HB SER 34 0.874 3.698 8.889 237 HG SER 34 HG SER 34 0.000 2.048 9.879 238 H ALA 35 H ALA 35 2.485 2.427 5.773 239 HA ALA 35 HA ALA 35 2.933 5.138 5.004 240 1HB ALA 35 1HB ALA 35 4.371 2.652 4.908 241 2HB ALA 35 2HB ALA 35 4.987 4.303 4.843 242 3HB ALA 35 3HB ALA 35 4.492 3.490 3.359 243 H ALA 36 H ALA 36 1.950 2.222 3.224 244 HA ALA 36 HA ALA 36 1.779 3.338 0.697 245 1HB ALA 36 1HB ALA 36 0.161 1.161 1.992 246 2HB ALA 36 2HB ALA 36 1.519 1.003 0.877 247 3HB ALA 36 3HB ALA 36 -0.033 1.607 0.296 248 H LYS 37 H LYS 37 -0.849 3.093 3.113 249 HA LYS 37 HA LYS 37 -2.826 4.413 1.714 250 1HB LYS 37 2HB LYS 37 -2.393 3.540 4.368 251 2HB LYS 37 1HB LYS 37 -2.944 5.207 4.456 252 1HG LYS 37 2HG LYS 37 -4.889 4.629 3.089 253 2HG LYS 37 1HG LYS 37 -4.337 2.953 3.030 254 1HD LYS 37 2HD LYS 37 -4.519 2.812 5.467 255 2HD LYS 37 1HD LYS 37 -5.076 4.488 5.521 256 1HE LYS 37 2HE LYS 37 -6.981 3.820 4.057 257 2HE LYS 37 1HE LYS 37 -6.457 2.145 4.223 258 1HZ LYS 37 1HZ LYS 37 -6.591 2.816 6.768 259 2HZ LYS 37 2HZ LYS 37 -7.927 2.222 5.921 260 3HZ LYS 37 3HZ LYS 37 -7.755 3.885 6.165 261 H GLU 38 H GLU 38 -0.553 5.912 4.047 262 HA GLU 38 HA GLU 38 -1.416 8.543 3.570 263 1HB GLU 38 2HB GLU 38 0.753 7.212 4.995 264 2HB GLU 38 1HB GLU 38 1.234 8.766 4.332 265 1HG GLU 38 2HG GLU 38 -0.237 9.940 5.649 266 2HG GLU 38 1HG GLU 38 -1.319 8.563 5.853 267 H PHE 39 H PHE 39 1.295 6.711 2.158 268 HA PHE 39 HA PHE 39 2.374 8.731 0.574 269 1HB PHE 39 2HB PHE 39 2.867 6.055 0.968 270 2HB PHE 39 1HB PHE 39 2.309 6.088 -0.692 271 HD1 PHE 39 HD1 PHE 39 3.385 8.868 -1.358 272 HD2 PHE 39 HD2 PHE 39 5.138 5.490 0.546 273 HE1 PHE 39 HE1 PHE 39 5.613 9.619 -2.083 274 HE2 PHE 39 HE2 PHE 39 7.369 6.234 -0.177 275 HZ PHE 39 HZ PHE 39 7.609 8.302 -1.492 276 H PHE 40 H PHE 40 0.005 6.243 -0.309 277 HA PHE 40 HA PHE 40 -0.562 7.240 -2.866 278 1HB PHE 40 2HB PHE 40 -2.099 5.483 -0.970 279 2HB PHE 40 1HB PHE 40 -2.780 5.970 -2.516 280 HD1 PHE 40 HD1 PHE 40 -1.563 5.365 -4.621 281 HD2 PHE 40 HD2 PHE 40 -0.540 3.728 -0.832 282 HE1 PHE 40 HE1 PHE 40 -0.374 3.527 -5.738 283 HE2 PHE 40 HE2 PHE 40 0.657 1.891 -1.940 284 HZ PHE 40 HZ PHE 40 0.740 1.788 -4.399 285 H THR 41 H THR 41 -2.081 7.917 0.274 286 HA THR 41 HA THR 41 -4.241 9.419 -0.584 287 HB THR 41 HB THR 41 -2.517 9.902 1.856 288 HG1 THR 41 HG1 THR 41 -3.554 7.932 1.994 289 1HG2 THR 41 1HG2 THR 41 -3.613 11.873 1.945 290 2HG2 THR 41 2HG2 THR 41 -4.972 10.886 2.483 291 3HG2 THR 41 3HG2 THR 41 -4.841 11.356 0.789 292 H LYS 42 H LYS 42 -0.874 10.429 -0.151 293 HA LYS 42 HA LYS 42 -1.257 13.157 -0.744 294 1HB LYS 42 2HB LYS 42 1.094 11.307 -0.915 295 2HB LYS 42 1HB LYS 42 1.215 12.955 -1.507 296 1HG LYS 42 2HG LYS 42 0.360 12.230 1.281 297 2HG LYS 42 1HG LYS 42 2.013 12.641 0.825 298 1HD LYS 42 2HD LYS 42 -0.372 14.444 0.415 299 2HD LYS 42 1HD LYS 42 0.733 14.546 1.786 300 1HE LYS 42 2HE LYS 42 1.267 16.176 0.020 301 2HE LYS 42 1HE LYS 42 2.582 15.041 0.310 302 1HZ LYS 42 1HZ LYS 42 1.955 15.566 -2.091 303 2HZ LYS 42 2HZ LYS 42 0.611 14.573 -1.842 304 3HZ LYS 42 3HZ LYS 42 2.172 13.940 -1.679 305 H SER 43 H SER 43 -1.294 10.372 -2.757 306 HA SER 43 HA SER 43 -0.487 11.535 -5.202 307 1HB SER 43 2HB SER 43 -0.556 9.115 -4.893 308 2HB SER 43 1HB SER 43 -2.307 9.171 -4.704 309 HG SER 43 HG SER 43 -2.289 8.864 -6.789 310 H LYS 44 H LYS 44 -3.808 10.787 -4.054 311 HA LYS 44 HA LYS 44 -5.021 13.152 -4.697 312 1HB LYS 44 2HB LYS 44 -4.044 12.356 -7.043 313 2HB LYS 44 1HB LYS 44 -5.537 11.432 -7.076 314 1HG LYS 44 2HG LYS 44 -5.192 14.407 -6.968 315 2HG LYS 44 1HG LYS 44 -5.990 13.435 -8.206 316 1HD LYS 44 2HD LYS 44 -7.602 12.743 -6.330 317 2HD LYS 44 1HD LYS 44 -6.940 14.120 -5.445 318 1HE LYS 44 2HE LYS 44 -8.898 14.874 -6.579 319 2HE LYS 44 1HE LYS 44 -7.500 15.549 -7.414 320 1HZ LYS 44 1HZ LYS 44 -9.519 13.833 -8.424 321 2HZ LYS 44 2HZ LYS 44 -7.996 13.134 -8.636 322 3HZ LYS 44 3HZ LYS 44 -8.314 14.673 -9.264 323 H LEU 45 H LEU 45 -5.412 9.686 -5.284 324 HA LEU 45 HA LEU 45 -8.190 9.552 -5.015 325 1HB LEU 45 2HB LEU 45 -5.991 7.547 -4.657 326 2HB LEU 45 1HB LEU 45 -7.646 7.114 -4.275 327 HG LEU 45 HG LEU 45 -8.299 7.658 -6.610 328 1HD1 LEU 45 1HD1 LEU 45 -5.756 7.535 -7.860 329 2HD1 LEU 45 2HD1 LEU 45 -5.729 8.854 -6.698 330 3HD1 LEU 45 3HD1 LEU 45 -6.963 8.816 -7.949 331 1HD2 LEU 45 1HD2 LEU 45 -7.868 5.369 -6.125 332 2HD2 LEU 45 2HD2 LEU 45 -6.124 5.621 -6.194 333 3HD2 LEU 45 3HD2 LEU 45 -7.089 5.731 -7.666 334 HA PRO 46 HA PRO 46 -8.844 10.204 -0.700 335 1HB PRO 46 2HB PRO 46 -11.289 9.070 -0.456 336 2HB PRO 46 1HB PRO 46 -11.037 10.611 -1.283 337 1HG PRO 46 2HG PRO 46 -11.359 7.869 -2.439 338 2HG PRO 46 1HG PRO 46 -12.073 9.400 -2.978 339 1HD PRO 46 2HD PRO 46 -9.897 8.288 -4.163 340 2HD PRO 46 1HD PRO 46 -10.160 10.043 -4.091 341 H ILE 47 H ILE 47 -8.392 9.146 1.173 342 HA ILE 47 HA ILE 47 -7.230 6.701 1.327 343 HB ILE 47 HB ILE 47 -9.031 7.885 3.449 344 1HG1 ILE 47 2HG1 ILE 47 -6.060 8.197 2.972 345 2HG1 ILE 47 1HG1 ILE 47 -7.279 9.428 2.660 346 1HG2 ILE 47 1HG2 ILE 47 -7.063 6.604 4.785 347 2HG2 ILE 47 2HG2 ILE 47 -7.254 5.539 3.392 348 3HG2 ILE 47 3HG2 ILE 47 -8.637 5.894 4.426 349 1HD1 ILE 47 1HD1 ILE 47 -6.280 8.384 5.273 350 2HD1 ILE 47 2HD1 ILE 47 -7.845 9.190 5.154 351 3HD1 ILE 47 3HD1 ILE 47 -6.373 10.048 4.696 352 H LEU 48 H LEU 48 -10.683 7.369 1.265 353 HA LEU 48 HA LEU 48 -11.687 4.890 2.037 354 1HB LEU 48 2HB LEU 48 -12.958 7.041 1.518 355 2HB LEU 48 1HB LEU 48 -12.855 6.581 -0.168 356 HG LEU 48 HG LEU 48 -14.217 4.965 1.987 357 1HD1 LEU 48 1HD1 LEU 48 -16.174 5.676 0.299 358 2HD1 LEU 48 2HD1 LEU 48 -15.133 7.092 0.156 359 3HD1 LEU 48 3HD1 LEU 48 -15.751 6.608 1.736 360 1HD2 LEU 48 1HD2 LEU 48 -14.282 3.279 0.541 361 2HD2 LEU 48 2HD2 LEU 48 -13.256 4.204 -0.554 362 3HD2 LEU 48 3HD2 LEU 48 -15.009 4.324 -0.680 363 H GLU 49 H GLU 49 -10.985 6.020 -1.290 364 HA GLU 49 HA GLU 49 -11.376 3.495 -2.522 365 1HB GLU 49 2HB GLU 49 -9.870 5.968 -3.347 366 2HB GLU 49 1HB GLU 49 -9.921 4.533 -4.356 367 1HG GLU 49 2HG GLU 49 -12.427 4.724 -4.302 368 2HG GLU 49 1HG GLU 49 -12.203 6.305 -3.548 369 H LEU 50 H LEU 50 -8.595 5.160 -1.212 370 HA LEU 50 HA LEU 50 -6.475 3.728 -2.096 371 1HB LEU 50 2HB LEU 50 -7.097 5.028 0.497 372 2HB LEU 50 1HB LEU 50 -5.657 4.035 0.408 373 HG LEU 50 HG LEU 50 -4.825 5.418 -1.454 374 1HD1 LEU 50 1HD1 LEU 50 -7.365 6.182 -1.897 375 2HD1 LEU 50 2HD1 LEU 50 -5.964 7.102 -2.438 376 3HD1 LEU 50 3HD1 LEU 50 -6.794 7.554 -0.950 377 1HD2 LEU 50 1HD2 LEU 50 -5.537 6.720 1.145 378 2HD2 LEU 50 2HD2 LEU 50 -4.566 7.547 -0.072 379 3HD2 LEU 50 3HD2 LEU 50 -3.994 6.037 0.637 380 H SER 51 H SER 51 -8.772 2.660 0.371 381 HA SER 51 HA SER 51 -7.455 0.456 1.393 382 1HB SER 51 2HB SER 51 -9.660 -0.494 1.847 383 2HB SER 51 1HB SER 51 -9.688 1.248 2.145 384 HG SER 51 HG SER 51 -11.271 -0.115 0.563 385 H HIS 52 H HIS 52 -9.623 0.491 -1.434 386 HA HIS 52 HA HIS 52 -9.374 -2.127 -2.246 387 1HB HIS 52 2HB HIS 52 -10.920 -0.596 -3.315 388 2HB HIS 52 1HB HIS 52 -9.585 0.346 -3.967 389 HD1 HIS 52 HD1 HIS 52 -10.531 -3.367 -4.175 390 HD2 HIS 52 HD2 HIS 52 -9.300 -0.182 -6.547 391 HE1 HIS 52 HE1 HIS 52 -10.389 -4.253 -6.542 392 H ILE 53 H ILE 53 -7.210 0.573 -3.002 393 HA ILE 53 HA ILE 53 -5.528 -0.664 -4.830 394 HB ILE 53 HB ILE 53 -4.812 1.358 -2.702 395 1HG1 ILE 53 2HG1 ILE 53 -6.599 2.145 -4.143 396 2HG1 ILE 53 1HG1 ILE 53 -5.109 2.993 -4.542 397 1HG2 ILE 53 1HG2 ILE 53 -2.807 0.318 -3.556 398 2HG2 ILE 53 2HG2 ILE 53 -2.943 1.955 -4.199 399 3HG2 ILE 53 3HG2 ILE 53 -3.347 0.573 -5.216 400 1HD1 ILE 53 1HD1 ILE 53 -6.574 0.915 -6.104 401 2HD1 ILE 53 2HD1 ILE 53 -4.848 1.174 -6.361 402 3HD1 ILE 53 3HD1 ILE 53 -5.985 2.497 -6.616 403 H TRP 54 H TRP 54 -5.042 -0.398 -1.307 404 HA TRP 54 HA TRP 54 -2.719 -1.880 -1.105 405 1HB TRP 54 2HB TRP 54 -3.685 -0.673 0.788 406 2HB TRP 54 1HB TRP 54 -5.024 -1.824 0.844 407 HD1 TRP 54 HD1 TRP 54 -4.578 -4.187 1.918 408 HE1 TRP 54 HE1 TRP 54 -2.603 -5.149 3.260 409 HE3 TRP 54 HE3 TRP 54 -1.107 -0.548 0.996 410 HZ2 TRP 54 HZ2 TRP 54 0.058 -4.452 3.846 411 HZ3 TRP 54 HZ3 TRP 54 1.132 -0.773 1.982 412 HH2 TRP 54 HH2 TRP 54 1.703 -2.688 3.381 413 H GLU 55 H GLU 55 -6.043 -3.100 -0.712 414 HA GLU 55 HA GLU 55 -5.520 -5.755 -0.311 415 1HB GLU 55 2HB GLU 55 -7.724 -4.555 -1.999 416 2HB GLU 55 1HB GLU 55 -7.726 -6.188 -1.339 417 1HG GLU 55 2HG GLU 55 -7.940 -5.437 0.851 418 2HG GLU 55 1HG GLU 55 -7.414 -3.805 0.444 419 H LEU 56 H LEU 56 -5.704 -4.054 -3.411 420 HA LEU 56 HA LEU 56 -5.126 -6.327 -5.012 421 1HB LEU 56 2HB LEU 56 -5.168 -3.380 -5.413 422 2HB LEU 56 1HB LEU 56 -4.305 -4.343 -6.593 423 HG LEU 56 HG LEU 56 -6.629 -3.849 -7.268 424 1HD1 LEU 56 1HD1 LEU 56 -6.556 -6.782 -6.752 425 2HD1 LEU 56 2HD1 LEU 56 -5.286 -6.058 -7.739 426 3HD1 LEU 56 3HD1 LEU 56 -6.975 -5.906 -8.224 427 1HD2 LEU 56 1HD2 LEU 56 -7.447 -3.964 -4.845 428 2HD2 LEU 56 2HD2 LEU 56 -7.521 -5.708 -5.092 429 3HD2 LEU 56 3HD2 LEU 56 -8.492 -4.635 -6.097 430 H SER 57 H SER 57 -3.189 -4.011 -3.280 431 HA SER 57 HA SER 57 -0.708 -4.637 -4.538 432 1HB SER 57 2HB SER 57 -1.335 -3.278 -1.919 433 2HB SER 57 1HB SER 57 0.273 -3.393 -2.624 434 HG SER 57 HG SER 57 -0.209 -1.789 -3.872 435 H ASP 58 H ASP 58 -2.431 -5.933 -1.753 436 HA ASP 58 HA ASP 58 -0.047 -7.470 -1.019 437 1HB ASP 58 2HB ASP 58 -1.963 -6.247 0.518 438 2HB ASP 58 1HB ASP 58 -2.444 -7.942 0.578 439 H PHE 59 H PHE 59 -0.508 -8.437 -3.276 440 HA PHE 59 HA PHE 59 -2.473 -10.324 -3.764 441 1HB PHE 59 2HB PHE 59 0.466 -10.467 -4.479 442 2HB PHE 59 1HB PHE 59 -0.766 -11.539 -5.132 443 HD1 PHE 59 HD1 PHE 59 -2.003 -10.939 -6.996 444 HD2 PHE 59 HD2 PHE 59 0.265 -7.987 -4.938 445 HE1 PHE 59 HE1 PHE 59 -2.416 -9.353 -8.828 446 HE2 PHE 59 HE2 PHE 59 -0.149 -6.390 -6.764 447 HZ PHE 59 HZ PHE 59 -1.491 -7.074 -8.714 448 H ASP 60 H ASP 60 -0.147 -10.249 -1.350 449 HA ASP 60 HA ASP 60 -0.235 -13.115 -0.879 450 1HB ASP 60 2HB ASP 60 1.422 -12.378 0.994 451 2HB ASP 60 1HB ASP 60 1.962 -12.363 -0.680 452 H LYS 61 H LYS 61 0.159 -10.890 1.681 453 HA LYS 61 HA LYS 61 -2.174 -10.229 2.760 454 1HB LYS 61 2HB LYS 61 -2.802 -12.220 4.217 455 2HB LYS 61 1HB LYS 61 -3.179 -12.380 2.508 456 1HG LYS 61 2HG LYS 61 -2.266 -14.449 3.232 457 2HG LYS 61 1HG LYS 61 -1.046 -13.641 2.238 458 1HD LYS 61 2HD LYS 61 0.181 -12.963 4.168 459 2HD LYS 61 1HD LYS 61 -1.107 -13.499 5.247 460 1HE LYS 61 2HE LYS 61 0.410 -15.358 3.427 461 2HE LYS 61 1HE LYS 61 0.896 -15.022 5.088 462 1HZ LYS 61 1HZ LYS 61 -0.857 -16.176 5.933 463 2HZ LYS 61 2HZ LYS 61 -0.644 -17.045 4.497 464 3HZ LYS 61 3HZ LYS 61 -1.866 -15.879 4.606 465 H ASP 62 H ASP 62 0.555 -9.682 2.885 466 HA ASP 62 HA ASP 62 1.371 -10.425 5.595 467 1HB ASP 62 2HB ASP 62 3.549 -9.362 4.888 468 2HB ASP 62 1HB ASP 62 3.074 -10.786 3.968 469 H GLY 63 H GLY 63 -0.162 -7.889 3.997 470 1HA GLY 63 2HA GLY 63 -0.798 -5.797 4.766 471 2HA GLY 63 1HA GLY 63 -0.181 -6.268 6.349 472 H ALA 64 H ALA 64 1.779 -6.493 3.560 473 HA ALA 64 HA ALA 64 3.145 -3.971 4.092 474 1HB ALA 64 1HB ALA 64 5.304 -4.966 4.270 475 2HB ALA 64 2HB ALA 64 4.664 -6.565 3.894 476 3HB ALA 64 3HB ALA 64 4.257 -5.791 5.426 477 H LEU 65 H LEU 65 3.867 -3.025 2.283 478 HA LEU 65 HA LEU 65 3.470 -4.446 -0.235 479 1HB LEU 65 2HB LEU 65 3.189 -1.686 0.665 480 2HB LEU 65 1HB LEU 65 4.042 -1.823 -0.859 481 HG LEU 65 HG LEU 65 2.192 -2.871 -1.922 482 1HD1 LEU 65 1HD1 LEU 65 0.073 -2.951 -0.183 483 2HD1 LEU 65 2HD1 LEU 65 1.413 -3.545 0.795 484 3HD1 LEU 65 3HD1 LEU 65 1.015 -4.337 -0.730 485 1HD2 LEU 65 1HD2 LEU 65 2.069 -0.316 -0.923 486 2HD2 LEU 65 2HD2 LEU 65 0.513 -1.002 -0.459 487 3HD2 LEU 65 3HD2 LEU 65 1.004 -0.995 -2.153 488 H THR 66 H THR 66 5.159 -5.263 -1.218 489 HA THR 66 HA THR 66 7.860 -4.383 -0.537 490 HB THR 66 HB THR 66 8.675 -6.325 -1.567 491 HG1 THR 66 HG1 THR 66 6.653 -7.496 -2.768 492 1HG2 THR 66 1HG2 THR 66 7.096 -8.166 -0.799 493 2HG2 THR 66 2HG2 THR 66 5.988 -6.880 -0.324 494 3HG2 THR 66 3HG2 THR 66 7.580 -6.993 0.425 495 H LEU 67 H LEU 67 9.401 -3.810 -2.234 496 HA LEU 67 HA LEU 67 8.625 -1.786 -3.857 497 1HB LEU 67 2HB LEU 67 10.970 -2.896 -3.403 498 2HB LEU 67 1HB LEU 67 10.659 -3.685 -4.937 499 HG LEU 67 HG LEU 67 10.938 -0.732 -4.413 500 1HD1 LEU 67 1HD1 LEU 67 12.801 -2.667 -4.987 501 2HD1 LEU 67 2HD1 LEU 67 12.993 -0.936 -5.268 502 3HD1 LEU 67 3HD1 LEU 67 12.437 -1.987 -6.571 503 1HD2 LEU 67 1HD2 LEU 67 10.709 -1.053 -7.137 504 2HD2 LEU 67 2HD2 LEU 67 9.462 -0.414 -6.064 505 3HD2 LEU 67 3HD2 LEU 67 9.461 -2.122 -6.503 506 H ASP 68 H ASP 68 8.609 -5.234 -4.697 507 HA ASP 68 HA ASP 68 7.807 -5.001 -7.372 508 1HB ASP 68 2HB ASP 68 8.289 -7.076 -5.552 509 2HB ASP 68 1HB ASP 68 6.649 -7.324 -6.135 510 H GLU 69 H GLU 69 5.803 -5.456 -4.460 511 HA GLU 69 HA GLU 69 3.321 -5.375 -5.794 512 1HB GLU 69 2HB GLU 69 4.061 -4.554 -2.973 513 2HB GLU 69 1HB GLU 69 2.410 -4.696 -3.559 514 1HG GLU 69 2HG GLU 69 2.661 -7.053 -3.890 515 2HG GLU 69 1HG GLU 69 4.384 -6.967 -3.544 516 H PHE 70 H PHE 70 5.455 -2.942 -4.491 517 HA PHE 70 HA PHE 70 3.890 -0.649 -4.752 518 1HB PHE 70 2HB PHE 70 5.929 -0.532 -3.536 519 2HB PHE 70 1HB PHE 70 6.860 -1.155 -4.888 520 HD1 PHE 70 HD1 PHE 70 8.463 0.607 -4.760 521 HD2 PHE 70 HD2 PHE 70 4.336 1.445 -5.377 522 HE1 PHE 70 HE1 PHE 70 9.035 2.897 -5.434 523 HE2 PHE 70 HE2 PHE 70 4.902 3.742 -6.053 524 HZ PHE 70 HZ PHE 70 7.256 4.471 -6.069 525 H CYS 71 H CYS 71 6.055 -2.207 -7.097 526 HA CYS 71 HA CYS 71 5.829 -0.339 -9.171 527 1HB CYS 71 2HB CYS 71 6.982 -2.903 -8.805 528 2HB CYS 71 1HB CYS 71 6.009 -2.977 -10.269 529 HG CYS 71 HG CYS 71 8.645 -0.916 -9.647 530 H ALA 72 H ALA 72 4.008 -3.331 -8.636 531 HA ALA 72 HA ALA 72 2.262 -2.971 -10.846 532 1HB ALA 72 1HB ALA 72 2.268 -5.158 -10.223 533 2HB ALA 72 2HB ALA 72 0.833 -4.627 -9.346 534 3HB ALA 72 3HB ALA 72 2.374 -4.782 -8.503 535 H ALA 73 H ALA 73 1.989 -2.184 -7.409 536 HA ALA 73 HA ALA 73 -0.703 -1.384 -7.424 537 1HB ALA 73 1HB ALA 73 -0.159 -0.182 -5.351 538 2HB ALA 73 2HB ALA 73 1.558 -0.431 -5.670 539 3HB ALA 73 3HB ALA 73 0.510 -1.815 -5.362 540 H PHE 74 H PHE 74 2.251 0.614 -7.615 541 HA PHE 74 HA PHE 74 0.944 3.052 -7.989 542 1HB PHE 74 2HB PHE 74 3.361 2.805 -7.472 543 2HB PHE 74 1HB PHE 74 3.631 2.252 -9.122 544 HD1 PHE 74 HD1 PHE 74 1.691 5.059 -7.611 545 HD2 PHE 74 HD2 PHE 74 4.695 3.848 -10.369 546 HE1 PHE 74 HE1 PHE 74 1.948 7.392 -8.347 547 HE2 PHE 74 HE2 PHE 74 4.960 6.179 -11.110 548 HZ PHE 74 HZ PHE 74 3.586 7.955 -10.097 549 H HIS 75 H HIS 75 2.277 0.843 -10.473 550 HA HIS 75 HA HIS 75 1.438 2.348 -12.684 551 1HB HIS 75 2HB HIS 75 2.736 -0.111 -12.149 552 2HB HIS 75 1HB HIS 75 1.435 -0.439 -13.275 553 HD1 HIS 75 HD1 HIS 75 4.046 2.334 -13.029 554 HD2 HIS 75 HD2 HIS 75 2.390 -0.299 -15.776 555 HE1 HIS 75 HE1 HIS 75 5.204 2.789 -15.226 556 H LEU 76 H LEU 76 -0.087 -0.473 -11.112 557 HA LEU 76 HA LEU 76 -2.342 -0.612 -12.746 558 1HB LEU 76 2HB LEU 76 -1.495 -2.262 -11.008 559 2HB LEU 76 1HB LEU 76 -2.277 -1.255 -9.808 560 HG LEU 76 HG LEU 76 -3.661 -2.612 -12.098 561 1HD1 LEU 76 1HD1 LEU 76 -4.044 -4.393 -10.800 562 2HD1 LEU 76 2HD1 LEU 76 -4.345 -3.400 -9.374 563 3HD1 LEU 76 3HD1 LEU 76 -2.691 -3.798 -9.838 564 1HD2 LEU 76 1HD2 LEU 76 -4.469 -0.506 -10.310 565 2HD2 LEU 76 2HD2 LEU 76 -5.497 -1.925 -10.123 566 3HD2 LEU 76 3HD2 LEU 76 -5.311 -1.174 -11.708 567 H VAL 77 H VAL 77 -1.923 1.028 -9.605 568 HA VAL 77 HA VAL 77 -4.456 2.081 -9.311 569 HB VAL 77 HB VAL 77 -1.821 3.377 -8.586 570 1HG1 VAL 77 1HG1 VAL 77 -3.103 5.210 -8.273 571 2HG1 VAL 77 2HG1 VAL 77 -3.613 4.367 -6.810 572 3HG1 VAL 77 3HG1 VAL 77 -4.602 4.284 -8.267 573 1HG2 VAL 77 1HG2 VAL 77 -3.390 2.413 -6.384 574 2HG2 VAL 77 2HG2 VAL 77 -1.751 1.972 -6.861 575 3HG2 VAL 77 3HG2 VAL 77 -3.131 1.117 -7.552 576 H VAL 78 H VAL 78 -1.732 3.431 -11.113 577 HA VAL 78 HA VAL 78 -2.713 5.847 -11.938 578 HB VAL 78 HB VAL 78 -1.149 3.822 -13.542 579 1HG1 VAL 78 1HG1 VAL 78 -1.775 6.708 -14.111 580 2HG1 VAL 78 2HG1 VAL 78 -2.035 5.306 -15.149 581 3HG1 VAL 78 3HG1 VAL 78 -0.397 5.874 -14.828 582 1HG2 VAL 78 1HG2 VAL 78 0.647 4.467 -12.395 583 2HG2 VAL 78 2HG2 VAL 78 -0.449 5.293 -11.288 584 3HG2 VAL 78 3HG2 VAL 78 0.269 6.172 -12.638 585 H ALA 79 H ALA 79 -3.543 2.648 -13.213 586 HA ALA 79 HA ALA 79 -4.962 3.478 -15.490 587 1HB ALA 79 1HB ALA 79 -4.207 1.127 -14.819 588 2HB ALA 79 2HB ALA 79 -5.753 1.288 -15.652 589 3HB ALA 79 3HB ALA 79 -5.713 1.047 -13.906 590 H ARG 80 H ARG 80 -6.047 2.944 -12.167 591 HA ARG 80 HA ARG 80 -8.788 3.297 -12.571 592 1HB ARG 80 2HB ARG 80 -7.661 2.536 -10.456 593 2HB ARG 80 1HB ARG 80 -7.209 4.210 -10.161 594 1HG ARG 80 2HG ARG 80 -9.650 4.777 -10.225 595 2HG ARG 80 1HG ARG 80 -9.976 3.044 -10.268 596 1HD ARG 80 2HD ARG 80 -8.721 2.792 -8.152 597 2HD ARG 80 1HD ARG 80 -8.510 4.544 -8.097 598 HE ARG 80 HE ARG 80 -10.633 4.706 -7.272 599 1HH1 ARG 80 2HH1 ARG 80 -10.319 1.662 -8.884 600 2HH1 ARG 80 1HH1 ARG 80 -11.884 1.115 -8.410 601 1HH2 ARG 80 1HH2 ARG 80 -12.636 4.007 -6.628 602 2HH2 ARG 80 2HH2 ARG 80 -13.211 2.454 -7.134 603 H LYS 81 H LYS 81 -6.194 5.464 -12.821 604 HA LYS 81 HA LYS 81 -7.676 7.884 -12.336 605 1HB LYS 81 2HB LYS 81 -5.303 7.826 -11.868 606 2HB LYS 81 1HB LYS 81 -4.952 7.408 -13.540 607 1HG LYS 81 2HG LYS 81 -5.879 9.576 -14.249 608 2HG LYS 81 1HG LYS 81 -6.132 9.993 -12.551 609 1HD LYS 81 2HD LYS 81 -3.510 9.460 -13.935 610 2HD LYS 81 1HD LYS 81 -4.078 10.993 -13.271 611 1HE LYS 81 2HE LYS 81 -3.373 8.495 -11.735 612 2HE LYS 81 1HE LYS 81 -2.486 10.019 -11.754 613 1HZ LYS 81 1HZ LYS 81 -5.300 9.955 -10.896 614 2HZ LYS 81 2HZ LYS 81 -4.093 11.071 -10.510 615 3HZ LYS 81 3HZ LYS 81 -4.070 9.531 -9.813 616 H ASN 82 H ASN 82 -6.757 5.965 -15.128 617 HA ASN 82 HA ASN 82 -7.313 7.863 -17.137 618 1HB ASN 82 2HB ASN 82 -7.345 4.848 -17.146 619 2HB ASN 82 1HB ASN 82 -7.612 5.811 -18.598 620 1HD2 ASN 82 1HD2 ASN 82 -5.683 7.804 -17.226 621 2HD2 ASN 82 2HD2 ASN 82 -4.135 7.183 -17.666 622 H GLY 83 H GLY 83 -9.355 5.183 -15.947 623 1HA GLY 83 2HA GLY 83 -11.728 5.981 -15.479 624 2HA GLY 83 1HA GLY 83 -11.661 6.617 -17.115 625 H TYR 84 H TYR 84 -11.305 3.562 -15.309 626 HA TYR 84 HA TYR 84 -13.091 2.222 -17.099 627 1HB TYR 84 2HB TYR 84 -10.157 1.901 -17.420 628 2HB TYR 84 1HB TYR 84 -11.134 0.436 -17.497 629 HD1 TYR 84 HD1 TYR 84 -9.878 3.186 -19.349 630 HD2 TYR 84 HD2 TYR 84 -13.182 0.519 -19.084 631 HE1 TYR 84 HE1 TYR 84 -10.460 3.680 -21.692 632 HE2 TYR 84 HE2 TYR 84 -13.771 1.002 -21.418 633 HH TYR 84 HH TYR 84 -12.094 3.477 -23.266 634 H ASP 85 H ASP 85 -13.361 -0.090 -16.537 635 HA ASP 85 HA ASP 85 -13.672 -0.419 -13.757 636 1HB ASP 85 2HB ASP 85 -15.019 -1.559 -15.553 637 2HB ASP 85 1HB ASP 85 -13.633 -2.606 -15.847 638 H LEU 86 H LEU 86 -12.760 -2.370 -12.572 639 HA LEU 86 HA LEU 86 -10.011 -3.021 -13.337 640 1HB LEU 86 2HB LEU 86 -10.802 -1.850 -10.669 641 2HB LEU 86 1HB LEU 86 -9.230 -2.533 -11.038 642 HG LEU 86 HG LEU 86 -10.434 -0.102 -12.364 643 1HD1 LEU 86 1HD1 LEU 86 -9.835 0.484 -10.147 644 2HD1 LEU 86 2HD1 LEU 86 -8.519 1.035 -11.185 645 3HD1 LEU 86 3HD1 LEU 86 -8.336 -0.441 -10.237 646 1HD2 LEU 86 1HD2 LEU 86 -8.886 -1.572 -13.740 647 2HD2 LEU 86 2HD2 LEU 86 -7.619 -1.131 -12.597 648 3HD2 LEU 86 3HD2 LEU 86 -8.411 0.118 -13.557 649 HA PRO 87 HA PRO 87 -11.255 -7.018 -11.921 650 1HB PRO 87 2HB PRO 87 -8.820 -8.059 -11.253 651 2HB PRO 87 1HB PRO 87 -9.390 -7.907 -12.919 652 1HG PRO 87 2HG PRO 87 -7.568 -6.102 -11.370 653 2HG PRO 87 1HG PRO 87 -7.406 -6.687 -13.038 654 1HD PRO 87 2HD PRO 87 -8.323 -4.220 -12.494 655 2HD PRO 87 1HD PRO 87 -8.970 -5.172 -13.850 656 H GLU 88 H GLU 88 -12.356 -6.078 -10.051 657 HA GLU 88 HA GLU 88 -10.990 -5.601 -7.604 658 1HB GLU 88 2HB GLU 88 -13.197 -5.478 -6.591 659 2HB GLU 88 1HB GLU 88 -13.197 -4.617 -8.123 660 1HG GLU 88 2HG GLU 88 -14.185 -6.704 -9.153 661 2HG GLU 88 1HG GLU 88 -14.403 -7.303 -7.509 662 H LYS 89 H LYS 89 -9.791 -7.756 -8.101 663 HA LYS 89 HA LYS 89 -10.837 -10.262 -7.663 664 1HB LYS 89 2HB LYS 89 -8.121 -9.141 -6.984 665 2HB LYS 89 1HB LYS 89 -8.504 -10.856 -6.932 666 1HG LYS 89 2HG LYS 89 -8.791 -10.974 -9.255 667 2HG LYS 89 1HG LYS 89 -8.908 -9.221 -9.414 668 1HD LYS 89 2HD LYS 89 -6.735 -10.189 -10.185 669 2HD LYS 89 1HD LYS 89 -6.579 -8.954 -8.936 670 1HE LYS 89 2HE LYS 89 -6.314 -10.685 -7.242 671 2HE LYS 89 1HE LYS 89 -6.513 -11.935 -8.469 672 1HZ LYS 89 1HZ LYS 89 -4.517 -10.499 -9.506 673 2HZ LYS 89 2HZ LYS 89 -4.280 -11.848 -8.513 674 3HZ LYS 89 3HZ LYS 89 -4.207 -10.291 -7.856 675 H LEU 90 H LEU 90 -8.888 -8.609 -5.184 676 HA LEU 90 HA LEU 90 -9.976 -10.232 -3.109 677 1HB LEU 90 2HB LEU 90 -7.700 -9.430 -2.986 678 2HB LEU 90 1HB LEU 90 -8.245 -7.765 -3.033 679 HG LEU 90 HG LEU 90 -9.216 -7.960 -0.822 680 1HD1 LEU 90 1HD1 LEU 90 -9.716 -9.883 0.193 681 2HD1 LEU 90 2HD1 LEU 90 -8.134 -10.576 -0.159 682 3HD1 LEU 90 3HD1 LEU 90 -9.418 -10.652 -1.367 683 1HD2 LEU 90 1HD2 LEU 90 -7.249 -7.622 0.177 684 2HD2 LEU 90 2HD2 LEU 90 -6.521 -8.001 -1.384 685 3HD2 LEU 90 3HD2 LEU 90 -6.700 -9.265 -0.164 686 HA PRO 91 HA PRO 91 -13.500 -7.520 -2.454 687 1HB PRO 91 2HB PRO 91 -14.896 -9.178 -0.877 688 2HB PRO 91 1HB PRO 91 -14.749 -9.469 -2.614 689 1HG PRO 91 2HG PRO 91 -13.277 -10.742 -0.346 690 2HG PRO 91 1HG PRO 91 -13.938 -11.492 -1.809 691 1HD PRO 91 2HD PRO 91 -11.291 -10.813 -1.472 692 2HD PRO 91 1HD PRO 91 -12.088 -10.970 -3.052 693 H GLU 92 H GLU 92 -13.516 -9.355 0.496 694 HA GLU 92 HA GLU 92 -12.706 -6.951 1.989 695 1HB GLU 92 2HB GLU 92 -14.407 -9.277 2.900 696 2HB GLU 92 1HB GLU 92 -14.020 -7.854 3.856 697 1HG GLU 92 2HG GLU 92 -15.204 -6.464 2.185 698 2HG GLU 92 1HG GLU 92 -15.669 -7.942 1.340 699 H SER 93 H SER 93 -12.829 -9.076 4.320 700 HA SER 93 HA SER 93 -9.981 -9.752 4.116 701 1HB SER 93 2HB SER 93 -11.808 -9.671 6.523 702 2HB SER 93 1HB SER 93 -10.109 -10.133 6.570 703 HG SER 93 HG SER 93 -10.094 -7.884 5.328 704 H LEU 94 H LEU 94 -11.186 -11.445 2.536 705 HA LEU 94 HA LEU 94 -11.927 -13.808 4.102 706 1HB LEU 94 2HB LEU 94 -12.133 -13.167 1.165 707 2HB LEU 94 1HB LEU 94 -12.420 -14.774 1.800 708 HG LEU 94 HG LEU 94 -13.966 -12.409 2.825 709 1HD1 LEU 94 1HD1 LEU 94 -14.656 -14.144 0.452 710 2HD1 LEU 94 2HD1 LEU 94 -14.230 -12.434 0.398 711 3HD1 LEU 94 3HD1 LEU 94 -15.715 -12.947 1.200 712 1HD2 LEU 94 1HD2 LEU 94 -14.075 -14.454 4.139 713 2HD2 LEU 94 2HD2 LEU 94 -14.522 -15.376 2.704 714 3HD2 LEU 94 3HD2 LEU 94 -15.622 -14.156 3.346 715 H MET 95 H MET 95 -9.492 -12.664 1.826 716 HA MET 95 HA MET 95 -8.146 -15.003 1.282 717 1HB MET 95 2HB MET 95 -7.437 -12.145 1.407 718 2HB MET 95 1HB MET 95 -6.079 -13.256 1.506 719 1HG MET 95 2HG MET 95 -8.151 -13.184 -0.669 720 2HG MET 95 1HG MET 95 -6.500 -12.567 -0.780 721 1HE MET 95 1HE MET 95 -5.670 -15.266 -3.017 722 2HE MET 95 2HE MET 95 -6.427 -13.682 -2.840 723 3HE MET 95 3HE MET 95 -7.422 -15.127 -3.043 724 HA PRO 96 HA PRO 96 -5.596 -14.620 5.307 725 1HB PRO 96 2HB PRO 96 -6.175 -12.754 7.127 726 2HB PRO 96 1HB PRO 96 -5.245 -12.362 5.674 727 1HG PRO 96 2HG PRO 96 -8.159 -11.922 6.226 728 2HG PRO 96 1HG PRO 96 -6.982 -10.812 5.500 729 1HD PRO 96 2HD PRO 96 -8.739 -12.328 4.049 730 2HD PRO 96 1HD PRO 96 -7.170 -11.774 3.428 731 H LYS 97 HN LYS 97 -5.883 -16.078 6.919 732 HA LYS 97 HA LYS 97 -8.414 -16.150 8.376 733 1HB LYS 97 2HB LYS 97 -7.235 -18.502 6.899 734 2HB LYS 97 1HB LYS 97 -8.518 -18.629 8.093 735 1HG LYS 97 2HG LYS 97 -10.001 -17.340 6.726 736 2HG LYS 97 1HG LYS 97 -8.710 -17.004 5.570 737 1HD LYS 97 2HD LYS 97 -8.544 -19.423 5.108 738 2HD LYS 97 1HD LYS 97 -9.895 -19.704 6.208 739 1HE LYS 97 2HE LYS 97 -10.618 -19.657 3.863 740 2HE LYS 97 1HE LYS 97 -11.348 -18.356 4.805 741 1HZ LYS 97 1HZ LYS 97 -10.261 -16.802 3.659 742 2HZ LYS 97 2HZ LYS 97 -10.172 -17.976 2.458 743 3HZ LYS 97 3HZ LYS 97 -8.850 -17.708 3.479 Start of MODEL 24 1 1H TRP 6 1H TRP 6 1.252 -7.499 -14.620 2 2H TRP 6 2H TRP 6 1.321 -6.437 -13.305 3 3H TRP 6 3H TRP 6 2.746 -6.911 -14.081 4 HA TRP 6 HA TRP 6 0.985 -5.798 -15.975 5 1HB TRP 6 2HB TRP 6 1.462 -4.251 -13.431 6 2HB TRP 6 1HB TRP 6 1.101 -3.446 -14.955 7 HD1 TRP 6 HD1 TRP 6 -0.640 -6.712 -13.971 8 HE1 TRP 6 HE1 TRP 6 -3.140 -6.233 -13.625 9 HE3 TRP 6 HE3 TRP 6 -0.548 -1.612 -14.334 10 HZ2 TRP 6 HZ2 TRP 6 -4.854 -3.991 -13.513 11 HZ3 TRP 6 HZ3 TRP 6 -2.661 -0.377 -14.092 12 HH2 TRP 6 HH2 TRP 6 -4.768 -1.542 -13.691 13 H LYS 7 H LYS 7 2.329 -5.204 -17.587 14 HA LYS 7 HA LYS 7 5.162 -5.093 -17.125 15 1HB LYS 7 2HB LYS 7 3.566 -4.479 -19.623 16 2HB LYS 7 1HB LYS 7 5.310 -4.679 -19.551 17 1HG LYS 7 2HG LYS 7 5.046 -7.001 -18.910 18 2HG LYS 7 1HG LYS 7 3.291 -6.813 -18.884 19 1HD LYS 7 2HD LYS 7 3.387 -6.200 -21.298 20 2HD LYS 7 1HD LYS 7 5.110 -6.576 -21.278 21 1HE LYS 7 2HE LYS 7 2.894 -8.510 -20.608 22 2HE LYS 7 1HE LYS 7 3.743 -8.431 -22.150 23 1HZ LYS 7 1HZ LYS 7 4.695 -10.159 -20.835 24 2HZ LYS 7 2HZ LYS 7 4.908 -9.129 -19.511 25 3HZ LYS 7 3HZ LYS 7 5.819 -8.898 -20.918 26 H ILE 8 H ILE 8 6.330 -3.330 -16.630 27 HA ILE 8 HA ILE 8 5.159 -0.667 -17.154 28 HB ILE 8 HB ILE 8 6.897 -1.409 -14.798 29 1HG1 ILE 8 2HG1 ILE 8 4.371 -0.643 -13.884 30 2HG1 ILE 8 1HG1 ILE 8 4.055 -1.733 -15.231 31 1HG2 ILE 8 1HG2 ILE 8 7.236 0.838 -15.037 32 2HG2 ILE 8 2HG2 ILE 8 5.793 0.847 -14.022 33 3HG2 ILE 8 3HG2 ILE 8 5.652 1.115 -15.759 34 1HD1 ILE 8 1HD1 ILE 8 6.100 -2.882 -13.648 35 2HD1 ILE 8 2HD1 ILE 8 4.457 -3.456 -13.919 36 3HD1 ILE 8 3HD1 ILE 8 4.796 -2.370 -12.577 37 H THR 9 H THR 9 6.478 0.795 -18.193 38 HA THR 9 HA THR 9 9.031 -0.065 -19.183 39 HB THR 9 HB THR 9 8.384 2.842 -19.171 40 HG1 THR 9 HG1 THR 9 6.775 2.605 -20.698 41 1HG2 THR 9 1HG2 THR 9 9.156 1.065 -21.472 42 2HG2 THR 9 2HG2 THR 9 10.344 1.716 -20.340 43 3HG2 THR 9 3HG2 THR 9 9.362 2.810 -21.317 44 H ASP 10 H ASP 10 11.006 0.187 -18.234 45 HA ASP 10 HA ASP 10 11.327 0.854 -15.624 46 1HB ASP 10 2HB ASP 10 13.048 0.020 -17.502 47 2HB ASP 10 1HB ASP 10 13.592 1.688 -17.314 48 H GLU 11 H GLU 11 11.571 3.138 -18.370 49 HA GLU 11 HA GLU 11 12.312 5.416 -17.015 50 1HB GLU 11 2HB GLU 11 11.026 4.829 -19.486 51 2HB GLU 11 1HB GLU 11 10.081 6.083 -18.699 52 1HG GLU 11 2HG GLU 11 11.681 7.131 -20.118 53 2HG GLU 11 1HG GLU 11 12.158 7.416 -18.446 54 H GLN 12 H GLN 12 9.160 3.884 -17.240 55 HA GLN 12 HA GLN 12 7.866 5.739 -15.480 56 1HB GLN 12 2HB GLN 12 7.040 3.683 -17.273 57 2HB GLN 12 1HB GLN 12 6.417 3.281 -15.677 58 1HG GLN 12 2HG GLN 12 5.164 5.227 -15.524 59 2HG GLN 12 1HG GLN 12 6.078 6.035 -16.797 60 1HE2 GLN 12 1HE2 GLN 12 4.781 6.394 -18.440 61 2HE2 GLN 12 2HE2 GLN 12 3.646 5.275 -19.107 62 H ARG 13 H ARG 13 9.546 2.671 -15.145 63 HA ARG 13 HA ARG 13 8.596 2.030 -12.544 64 1HB ARG 13 2HB ARG 13 10.256 0.804 -14.364 65 2HB ARG 13 1HB ARG 13 11.370 1.242 -13.084 66 1HG ARG 13 2HG ARG 13 9.376 0.158 -11.629 67 2HG ARG 13 1HG ARG 13 9.187 -0.741 -13.130 68 1HD ARG 13 2HD ARG 13 11.312 -0.878 -11.101 69 2HD ARG 13 1HD ARG 13 10.681 -2.123 -12.171 70 HE ARG 13 HE ARG 13 12.272 -0.169 -13.536 71 1HH1 ARG 13 2HH1 ARG 13 12.366 -3.123 -11.747 72 2HH1 ARG 13 1HH1 ARG 13 13.961 -3.532 -12.263 73 1HH2 ARG 13 1HH2 ARG 13 14.351 -0.674 -14.197 74 2HH2 ARG 13 2HH2 ARG 13 15.072 -2.143 -13.661 75 H GLN 14 H GLN 14 11.575 3.618 -13.656 76 HA GLN 14 HA GLN 14 12.554 4.280 -11.117 77 1HB GLN 14 2HB GLN 14 13.876 6.024 -12.373 78 2HB GLN 14 1HB GLN 14 14.066 4.380 -12.960 79 1HG GLN 14 2HG GLN 14 12.606 4.822 -14.815 80 2HG GLN 14 1HG GLN 14 12.224 6.421 -14.178 81 1HE2 GLN 14 1HE2 GLN 14 13.065 7.812 -15.572 82 2HE2 GLN 14 2HE2 GLN 14 14.689 7.787 -16.163 83 H TYR 15 H TYR 15 10.429 6.014 -13.353 84 HA TYR 15 HA TYR 15 10.312 8.494 -12.201 85 1HB TYR 15 2HB TYR 15 9.039 7.613 -14.239 86 2HB TYR 15 1HB TYR 15 7.820 7.055 -13.099 87 HD1 TYR 15 HD1 TYR 15 9.828 10.188 -13.327 88 HD2 TYR 15 HD2 TYR 15 5.960 8.424 -13.222 89 HE1 TYR 15 HE1 TYR 15 8.817 12.427 -13.339 90 HE2 TYR 15 HE2 TYR 15 4.935 10.659 -13.234 91 HH TYR 15 HH TYR 15 6.896 13.580 -13.548 92 H TYR 16 H TYR 16 8.473 5.609 -11.167 93 HA TYR 16 HA TYR 16 7.172 6.966 -8.997 94 1HB TYR 16 2HB TYR 16 7.610 3.992 -9.335 95 2HB TYR 16 1HB TYR 16 6.400 4.771 -8.322 96 HD1 TYR 16 HD1 TYR 16 5.858 2.661 -10.400 97 HD2 TYR 16 HD2 TYR 16 5.852 6.910 -10.633 98 HE1 TYR 16 HE1 TYR 16 4.248 2.550 -12.250 99 HE2 TYR 16 HE2 TYR 16 4.238 6.806 -12.489 100 HH TYR 16 HH TYR 16 2.482 5.134 -13.311 101 H VAL 17 H VAL 17 9.723 4.500 -9.114 102 HA VAL 17 HA VAL 17 10.365 4.347 -6.441 103 HB VAL 17 HB VAL 17 12.334 4.220 -8.728 104 1HG1 VAL 17 1HG1 VAL 17 13.783 3.992 -7.035 105 2HG1 VAL 17 2HG1 VAL 17 13.114 2.365 -6.896 106 3HG1 VAL 17 3HG1 VAL 17 12.510 3.659 -5.861 107 1HG2 VAL 17 1HG2 VAL 17 11.829 1.892 -8.918 108 2HG2 VAL 17 2HG2 VAL 17 10.314 2.788 -9.028 109 3HG2 VAL 17 3HG2 VAL 17 10.743 1.961 -7.531 110 H ASN 18 H ASN 18 11.654 6.592 -8.859 111 HA ASN 18 HA ASN 18 13.615 7.892 -7.538 112 1HB ASN 18 2HB ASN 18 11.775 8.516 -9.660 113 2HB ASN 18 1HB ASN 18 12.065 9.947 -8.684 114 1HD2 ASN 18 1HD2 ASN 18 13.660 11.146 -9.381 115 2HD2 ASN 18 2HD2 ASN 18 15.060 10.594 -10.226 116 H GLN 19 H GLN 19 10.163 8.155 -6.896 117 HA GLN 19 HA GLN 19 10.602 10.271 -4.934 118 1HB GLN 19 2HB GLN 19 8.049 8.856 -5.714 119 2HB GLN 19 1HB GLN 19 8.171 10.292 -4.708 120 1HG GLN 19 2HG GLN 19 8.976 11.588 -6.557 121 2HG GLN 19 1HG GLN 19 9.053 10.152 -7.578 122 1HE2 GLN 19 1HE2 GLN 19 7.430 9.919 -8.917 123 2HE2 GLN 19 2HE2 GLN 19 5.825 10.526 -8.694 124 H PHE 20 H PHE 20 9.169 7.015 -4.982 125 HA PHE 20 HA PHE 20 8.835 6.791 -2.207 126 1HB PHE 20 2HB PHE 20 8.584 5.034 -4.505 127 2HB PHE 20 1HB PHE 20 9.060 4.194 -3.037 128 HD1 PHE 20 HD1 PHE 20 6.799 7.066 -3.740 129 HD2 PHE 20 HD2 PHE 20 7.261 3.200 -2.029 130 HE1 PHE 20 HE1 PHE 20 4.488 7.164 -2.905 131 HE2 PHE 20 HE2 PHE 20 4.948 3.288 -1.195 132 HZ PHE 20 HZ PHE 20 3.567 5.277 -1.632 133 H LYS 21 H LYS 21 11.667 6.324 -4.143 134 HA LYS 21 HA LYS 21 13.148 4.489 -2.816 135 1HB LYS 21 2HB LYS 21 14.014 7.117 -3.994 136 2HB LYS 21 1HB LYS 21 15.171 5.972 -3.325 137 1HG LYS 21 2HG LYS 21 14.517 4.292 -4.901 138 2HG LYS 21 1HG LYS 21 13.203 5.298 -5.496 139 1HD LYS 21 2HD LYS 21 14.984 5.427 -7.074 140 2HD LYS 21 1HD LYS 21 14.919 6.969 -6.220 141 1HE LYS 21 2HE LYS 21 16.767 6.270 -4.796 142 2HE LYS 21 1HE LYS 21 16.809 4.701 -5.599 143 1HZ LYS 21 1HZ LYS 21 16.974 6.700 -7.556 144 2HZ LYS 21 2HZ LYS 21 18.144 5.556 -7.125 145 3HZ LYS 21 3HZ LYS 21 18.107 7.060 -6.353 146 H THR 22 H THR 22 12.390 7.725 -1.611 147 HA THR 22 HA THR 22 14.205 7.845 0.505 148 HB THR 22 HB THR 22 11.324 8.777 0.502 149 HG1 THR 22 HG1 THR 22 12.062 10.449 -0.565 150 1HG2 THR 22 1HG2 THR 22 13.504 8.980 2.501 151 2HG2 THR 22 2HG2 THR 22 11.759 8.895 2.735 152 3HG2 THR 22 3HG2 THR 22 12.511 10.414 2.245 153 H ILE 23 H ILE 23 11.137 6.164 0.189 154 HA ILE 23 HA ILE 23 11.429 4.996 2.857 155 HB ILE 23 HB ILE 23 9.094 4.711 0.968 156 1HG1 ILE 23 2HG1 ILE 23 8.042 6.320 2.735 157 2HG1 ILE 23 1HG1 ILE 23 9.711 6.762 3.076 158 1HG2 ILE 23 1HG2 ILE 23 9.510 3.014 2.839 159 2HG2 ILE 23 2HG2 ILE 23 7.914 3.756 2.741 160 3HG2 ILE 23 3HG2 ILE 23 9.076 4.321 3.940 161 1HD1 ILE 23 1HD1 ILE 23 8.696 8.315 1.522 162 2HD1 ILE 23 2HD1 ILE 23 8.322 6.995 0.415 163 3HD1 ILE 23 3HD1 ILE 23 10.002 7.425 0.740 164 H GLN 24 H GLN 24 10.869 3.941 -0.518 165 HA GLN 24 HA GLN 24 11.690 1.239 0.286 166 1HB GLN 24 2HB GLN 24 9.469 1.911 -1.047 167 2HB GLN 24 1HB GLN 24 10.561 1.688 -2.409 168 1HG GLN 24 2HG GLN 24 9.443 -0.377 -2.004 169 2HG GLN 24 1HG GLN 24 11.129 -0.557 -1.512 170 1HE2 GLN 24 1HE2 GLN 24 11.551 -1.210 0.502 171 2HE2 GLN 24 2HE2 GLN 24 10.381 -1.355 1.767 172 HA PRO 25 HA PRO 25 15.118 2.997 -2.460 173 1HB PRO 25 2HB PRO 25 17.146 2.851 -0.662 174 2HB PRO 25 1HB PRO 25 16.122 4.280 -0.842 175 1HG PRO 25 2HG PRO 25 15.979 2.090 1.190 176 2HG PRO 25 1HG PRO 25 15.789 3.839 1.412 177 1HD PRO 25 2HD PRO 25 13.682 2.130 1.275 178 2HD PRO 25 1HD PRO 25 13.595 3.814 0.721 179 H ASP 26 H ASP 26 14.849 0.276 -0.254 180 HA ASP 26 HA ASP 26 16.684 -1.259 -1.955 181 1HB ASP 26 2HB ASP 26 17.378 -1.020 0.417 182 2HB ASP 26 1HB ASP 26 15.895 -1.836 0.907 183 H LEU 27 H LEU 27 15.874 -2.814 -3.138 184 HA LEU 27 HA LEU 27 13.191 -3.355 -3.512 185 1HB LEU 27 2HB LEU 27 15.001 -3.963 -5.087 186 2HB LEU 27 1HB LEU 27 15.471 -5.265 -4.011 187 HG LEU 27 HG LEU 27 12.940 -5.982 -4.346 188 1HD1 LEU 27 1HD1 LEU 27 12.041 -5.467 -6.465 189 2HD1 LEU 27 2HD1 LEU 27 13.533 -4.689 -6.992 190 3HD1 LEU 27 3HD1 LEU 27 12.533 -3.930 -5.753 191 1HD2 LEU 27 1HD2 LEU 27 14.662 -7.491 -4.855 192 2HD2 LEU 27 2HD2 LEU 27 15.275 -6.483 -6.165 193 3HD2 LEU 27 3HD2 LEU 27 13.738 -7.329 -6.348 194 H ASN 28 H ASN 28 15.237 -4.518 -1.035 195 HA ASN 28 HA ASN 28 13.478 -6.758 -0.390 196 1HB ASN 28 2HB ASN 28 16.042 -6.852 -0.349 197 2HB ASN 28 1HB ASN 28 15.943 -5.888 1.117 198 1HD2 ASN 28 1HD2 ASN 28 16.382 -8.864 0.078 199 2HD2 ASN 28 2HD2 ASN 28 15.706 -9.770 1.379 200 H GLY 29 H GLY 29 12.862 -3.821 -0.133 201 1HA GLY 29 2HA GLY 29 12.381 -3.680 2.764 202 2HA GLY 29 1HA GLY 29 12.317 -2.317 1.652 203 H PHE 30 H PHE 30 10.292 -2.980 3.523 204 HA PHE 30 HA PHE 30 8.080 -3.458 1.647 205 1HB PHE 30 2HB PHE 30 8.179 -4.659 4.421 206 2HB PHE 30 1HB PHE 30 6.942 -4.911 3.192 207 HD1 PHE 30 HD1 PHE 30 10.631 -5.269 3.610 208 HD2 PHE 30 HD2 PHE 30 7.041 -6.843 1.956 209 HE1 PHE 30 HE1 PHE 30 11.885 -7.200 2.742 210 HE2 PHE 30 HE2 PHE 30 8.288 -8.778 1.088 211 HZ PHE 30 HZ PHE 30 10.712 -8.958 1.480 212 H ILE 31 H ILE 31 6.640 -1.935 1.711 213 HA ILE 31 HA ILE 31 6.707 0.051 3.838 214 HB ILE 31 HB ILE 31 5.665 -0.018 1.056 215 1HG1 ILE 31 2HG1 ILE 31 6.927 2.215 2.643 216 2HG1 ILE 31 1HG1 ILE 31 7.870 0.988 1.799 217 1HG2 ILE 31 1HG2 ILE 31 4.522 1.739 3.219 218 2HG2 ILE 31 2HG2 ILE 31 3.655 0.596 2.192 219 3HG2 ILE 31 3HG2 ILE 31 4.351 2.059 1.493 220 1HD1 ILE 31 1HD1 ILE 31 5.891 2.206 0.076 221 2HD1 ILE 31 2HD1 ILE 31 7.631 2.033 -0.146 222 3HD1 ILE 31 3HD1 ILE 31 6.991 3.394 0.775 223 HA PRO 32 HA PRO 32 3.100 -1.682 5.772 224 1HB PRO 32 2HB PRO 32 2.670 0.327 7.539 225 2HB PRO 32 1HB PRO 32 3.960 -0.863 7.750 226 1HG PRO 32 2HG PRO 32 4.114 1.930 6.690 227 2HG PRO 32 1HG PRO 32 5.218 1.087 7.793 228 1HD PRO 32 2HD PRO 32 5.718 1.401 5.134 229 2HD PRO 32 1HD PRO 32 6.314 0.019 6.077 230 H GLY 33 H GLY 33 0.886 -1.424 5.511 231 1HA GLY 33 2HA GLY 33 -0.124 0.031 3.433 232 2HA GLY 33 1HA GLY 33 -1.093 -0.442 4.819 233 H SER 34 H SER 34 0.267 1.145 6.758 234 HA SER 34 HA SER 34 -1.150 3.519 6.678 235 1HB SER 34 2HB SER 34 1.512 3.051 8.048 236 2HB SER 34 1HB SER 34 0.357 4.319 8.446 237 HG SER 34 HG SER 34 0.445 1.894 9.428 238 H ALA 35 H ALA 35 2.313 3.067 5.873 239 HA ALA 35 HA ALA 35 2.752 5.717 5.034 240 1HB ALA 35 1HB ALA 35 4.362 3.648 3.707 241 2HB ALA 35 2HB ALA 35 4.353 3.581 5.469 242 3HB ALA 35 3HB ALA 35 4.865 5.054 4.646 243 H ALA 36 H ALA 36 2.126 2.771 3.112 244 HA ALA 36 HA ALA 36 2.160 3.966 0.595 245 1HB ALA 36 1HB ALA 36 0.178 1.810 1.089 246 2HB ALA 36 2HB ALA 36 1.878 1.453 1.394 247 3HB ALA 36 3HB ALA 36 1.361 1.984 -0.206 248 H LYS 37 H LYS 37 -0.688 3.314 2.653 249 HA LYS 37 HA LYS 37 -2.548 4.562 0.995 250 1HB LYS 37 2HB LYS 37 -2.474 3.423 3.643 251 2HB LYS 37 1HB LYS 37 -3.462 4.874 3.621 252 1HG LYS 37 2HG LYS 37 -4.991 3.982 2.149 253 2HG LYS 37 1HG LYS 37 -3.832 2.832 1.483 254 1HD LYS 37 2HD LYS 37 -5.455 1.634 2.790 255 2HD LYS 37 1HD LYS 37 -3.908 1.593 3.633 256 1HE LYS 37 2HE LYS 37 -4.637 3.335 5.136 257 2HE LYS 37 1HE LYS 37 -6.145 3.518 4.240 258 1HZ LYS 37 1HZ LYS 37 -5.352 0.975 5.535 259 2HZ LYS 37 2HZ LYS 37 -6.875 1.407 4.934 260 3HZ LYS 37 3HZ LYS 37 -6.273 2.157 6.327 261 H GLU 38 H GLU 38 -0.822 5.913 3.847 262 HA GLU 38 HA GLU 38 -1.927 8.475 3.661 263 1HB GLU 38 2HB GLU 38 0.395 7.229 4.963 264 2HB GLU 38 1HB GLU 38 0.578 8.939 4.632 265 1HG GLU 38 2HG GLU 38 -0.286 8.557 6.869 266 2HG GLU 38 1HG GLU 38 -1.456 9.420 5.872 267 H PHE 39 H PHE 39 1.115 7.207 2.284 268 HA PHE 39 HA PHE 39 1.981 9.536 1.025 269 1HB PHE 39 2HB PHE 39 2.798 6.868 1.178 270 2HB PHE 39 1HB PHE 39 2.543 7.159 -0.529 271 HD1 PHE 39 HD1 PHE 39 4.360 8.372 2.447 272 HD2 PHE 39 HD2 PHE 39 4.079 8.409 -1.799 273 HE1 PHE 39 HE1 PHE 39 6.538 9.511 2.316 274 HE2 PHE 39 HE2 PHE 39 6.257 9.544 -1.937 275 HZ PHE 39 HZ PHE 39 7.488 10.097 0.122 276 H PHE 40 H PHE 40 0.165 6.801 -0.368 277 HA PHE 40 HA PHE 40 -0.285 7.936 -2.879 278 1HB PHE 40 2HB PHE 40 -1.693 5.837 -1.277 279 2HB PHE 40 1HB PHE 40 -2.426 6.424 -2.764 280 HD1 PHE 40 HD1 PHE 40 -1.763 5.590 -4.822 281 HD2 PHE 40 HD2 PHE 40 0.692 4.911 -1.414 282 HE1 PHE 40 HE1 PHE 40 -0.365 4.054 -6.139 283 HE2 PHE 40 HE2 PHE 40 2.094 3.374 -2.726 284 HZ PHE 40 HZ PHE 40 1.567 2.946 -5.094 285 H THR 41 H THR 41 -2.349 7.991 0.028 286 HA THR 41 HA THR 41 -4.504 9.410 -0.884 287 HB THR 41 HB THR 41 -3.102 9.893 1.760 288 HG1 THR 41 HG1 THR 41 -3.738 7.895 2.084 289 1HG2 THR 41 1HG2 THR 41 -4.620 11.578 1.831 290 2HG2 THR 41 2HG2 THR 41 -5.713 10.267 2.275 291 3HG2 THR 41 3HG2 THR 41 -5.655 10.838 0.608 292 H LYS 42 H LYS 42 -1.399 10.711 0.242 293 HA LYS 42 HA LYS 42 -1.917 13.422 -0.135 294 1HB LYS 42 2HB LYS 42 0.661 11.869 -0.415 295 2HB LYS 42 1HB LYS 42 0.576 13.627 -0.413 296 1HG LYS 42 2HG LYS 42 -0.496 11.951 1.838 297 2HG LYS 42 1HG LYS 42 1.174 12.517 1.779 298 1HD LYS 42 2HD LYS 42 -1.204 14.356 1.578 299 2HD LYS 42 1HD LYS 42 -0.425 13.950 3.108 300 1HE LYS 42 2HE LYS 42 1.696 14.839 2.249 301 2HE LYS 42 1HE LYS 42 0.899 15.265 0.733 302 1HZ LYS 42 1HZ LYS 42 0.769 17.233 1.856 303 2HZ LYS 42 2HZ LYS 42 0.649 16.504 3.377 304 3HZ LYS 42 3HZ LYS 42 -0.693 16.534 2.348 305 H SER 43 H SER 43 -1.100 10.909 -2.433 306 HA SER 43 HA SER 43 -0.422 12.506 -4.645 307 1HB SER 43 2HB SER 43 0.025 10.228 -4.951 308 2HB SER 43 1HB SER 43 -1.568 9.736 -4.391 309 HG SER 43 HG SER 43 -0.766 10.661 -6.902 310 H LYS 44 H LYS 44 -3.563 11.293 -3.526 311 HA LYS 44 HA LYS 44 -5.139 13.393 -3.987 312 1HB LYS 44 2HB LYS 44 -4.238 13.432 -6.332 313 2HB LYS 44 1HB LYS 44 -5.085 11.919 -6.622 314 1HG LYS 44 2HG LYS 44 -7.196 12.943 -6.340 315 2HG LYS 44 1HG LYS 44 -6.473 14.411 -5.684 316 1HD LYS 44 2HD LYS 44 -5.369 14.769 -7.893 317 2HD LYS 44 1HD LYS 44 -6.285 13.394 -8.517 318 1HE LYS 44 2HE LYS 44 -8.373 14.525 -8.036 319 2HE LYS 44 1HE LYS 44 -7.504 15.871 -7.302 320 1HZ LYS 44 1HZ LYS 44 -7.481 16.805 -9.296 321 2HZ LYS 44 2HZ LYS 44 -8.118 15.419 -10.031 322 3HZ LYS 44 3HZ LYS 44 -6.446 15.576 -9.830 323 H LEU 45 H LEU 45 -5.020 9.964 -4.913 324 HA LEU 45 HA LEU 45 -7.749 9.414 -4.686 325 1HB LEU 45 2HB LEU 45 -5.318 7.694 -4.311 326 2HB LEU 45 1HB LEU 45 -6.939 7.048 -4.141 327 HG LEU 45 HG LEU 45 -5.834 8.332 -6.641 328 1HD1 LEU 45 1HD1 LEU 45 -5.887 5.564 -5.623 329 2HD1 LEU 45 2HD1 LEU 45 -4.781 6.341 -6.755 330 3HD1 LEU 45 3HD1 LEU 45 -6.361 5.785 -7.308 331 1HD2 LEU 45 1HD2 LEU 45 -8.511 7.253 -5.873 332 2HD2 LEU 45 2HD2 LEU 45 -7.956 7.098 -7.540 333 3HD2 LEU 45 3HD2 LEU 45 -8.105 8.695 -6.805 334 HA PRO 46 HA PRO 46 -8.482 9.655 -0.326 335 1HB PRO 46 2HB PRO 46 -10.851 8.372 -0.230 336 2HB PRO 46 1HB PRO 46 -10.677 9.988 -0.925 337 1HG PRO 46 2HG PRO 46 -10.823 7.338 -2.308 338 2HG PRO 46 1HG PRO 46 -11.621 8.863 -2.731 339 1HD PRO 46 2HD PRO 46 -9.358 7.967 -3.952 340 2HD PRO 46 1HD PRO 46 -9.748 9.690 -3.773 341 H ILE 47 H ILE 47 -8.153 8.449 1.492 342 HA ILE 47 HA ILE 47 -6.760 6.098 1.473 343 HB ILE 47 HB ILE 47 -8.659 6.980 3.648 344 1HG1 ILE 47 2HG1 ILE 47 -5.715 7.576 3.282 345 2HG1 ILE 47 1HG1 ILE 47 -7.022 8.722 3.003 346 1HG2 ILE 47 1HG2 ILE 47 -6.433 4.978 3.566 347 2HG2 ILE 47 2HG2 ILE 47 -8.077 4.788 4.175 348 3HG2 ILE 47 3HG2 ILE 47 -6.910 5.757 5.074 349 1HD1 ILE 47 1HD1 ILE 47 -5.743 8.829 5.219 350 2HD1 ILE 47 2HD1 ILE 47 -6.679 7.401 5.662 351 3HD1 ILE 47 3HD1 ILE 47 -7.505 8.907 5.263 352 H LEU 48 H LEU 48 -10.283 6.463 1.553 353 HA LEU 48 HA LEU 48 -10.991 3.843 2.166 354 1HB LEU 48 2HB LEU 48 -12.507 5.860 1.945 355 2HB LEU 48 1HB LEU 48 -12.463 5.602 0.211 356 HG LEU 48 HG LEU 48 -13.436 3.345 0.555 357 1HD1 LEU 48 1HD1 LEU 48 -14.460 3.835 3.206 358 2HD1 LEU 48 2HD1 LEU 48 -12.697 3.772 3.207 359 3HD1 LEU 48 3HD1 LEU 48 -13.628 2.418 2.565 360 1HD2 LEU 48 1HD2 LEU 48 -14.992 5.683 1.653 361 2HD2 LEU 48 2HD2 LEU 48 -15.701 4.146 1.155 362 3HD2 LEU 48 3HD2 LEU 48 -14.893 5.172 -0.033 363 H GLU 49 H GLU 49 -10.820 5.273 -1.085 364 HA GLU 49 HA GLU 49 -11.060 2.858 -2.494 365 1HB GLU 49 2HB GLU 49 -9.958 5.557 -3.244 366 2HB GLU 49 1HB GLU 49 -9.981 4.218 -4.384 367 1HG GLU 49 2HG GLU 49 -11.896 5.549 -4.804 368 2HG GLU 49 1HG GLU 49 -12.446 4.062 -4.035 369 H LEU 50 H LEU 50 -8.221 4.664 -1.370 370 HA LEU 50 HA LEU 50 -6.202 3.238 -2.634 371 1HB LEU 50 2HB LEU 50 -6.467 5.012 -0.400 372 2HB LEU 50 1HB LEU 50 -5.387 3.700 0.034 373 HG LEU 50 HG LEU 50 -4.184 5.639 -0.851 374 1HD1 LEU 50 1HD1 LEU 50 -3.570 3.122 -1.262 375 2HD1 LEU 50 2HD1 LEU 50 -2.657 4.406 -2.051 376 3HD1 LEU 50 3HD1 LEU 50 -3.899 3.532 -2.945 377 1HD2 LEU 50 1HD2 LEU 50 -5.547 5.056 -3.473 378 2HD2 LEU 50 2HD2 LEU 50 -4.405 6.353 -3.121 379 3HD2 LEU 50 3HD2 LEU 50 -6.010 6.368 -2.390 380 H SER 51 H SER 51 -7.906 2.528 0.373 381 HA SER 51 HA SER 51 -6.546 0.380 1.353 382 1HB SER 51 2HB SER 51 -9.552 0.676 1.202 383 2HB SER 51 1HB SER 51 -8.683 -0.381 2.314 384 HG SER 51 HG SER 51 -8.784 2.435 2.248 385 H HIS 52 H HIS 52 -8.881 0.313 -1.332 386 HA HIS 52 HA HIS 52 -8.813 -2.531 -1.603 387 1HB HIS 52 2HB HIS 52 -10.703 -1.217 -2.453 388 2HB HIS 52 1HB HIS 52 -9.643 -0.422 -3.609 389 HD1 HIS 52 HD1 HIS 52 -10.136 -4.129 -2.858 390 HD2 HIS 52 HD2 HIS 52 -10.323 -1.440 -5.999 391 HE1 HIS 52 HE1 HIS 52 -10.644 -5.496 -4.903 392 H ILE 53 H ILE 53 -7.297 0.099 -3.499 393 HA ILE 53 HA ILE 53 -5.909 -1.323 -5.383 394 HB ILE 53 HB ILE 53 -4.789 0.974 -3.750 395 1HG1 ILE 53 2HG1 ILE 53 -6.338 1.001 -6.348 396 2HG1 ILE 53 1HG1 ILE 53 -6.960 1.502 -4.778 397 1HG2 ILE 53 1HG2 ILE 53 -3.527 -0.604 -5.676 398 2HG2 ILE 53 2HG2 ILE 53 -2.980 0.939 -5.018 399 3HG2 ILE 53 3HG2 ILE 53 -3.945 0.903 -6.492 400 1HD1 ILE 53 1HD1 ILE 53 -5.245 2.927 -6.673 401 2HD1 ILE 53 2HD1 ILE 53 -4.750 3.056 -4.986 402 3HD1 ILE 53 3HD1 ILE 53 -6.374 3.545 -5.468 403 H TRP 54 H TRP 54 -4.929 -0.735 -2.010 404 HA TRP 54 HA TRP 54 -2.475 -2.032 -2.006 405 1HB TRP 54 2HB TRP 54 -3.230 -0.858 -0.019 406 2HB TRP 54 1HB TRP 54 -4.567 -1.990 0.182 407 HD1 TRP 54 HD1 TRP 54 -3.827 -4.596 0.786 408 HE1 TRP 54 HE1 TRP 54 -1.863 -5.448 2.214 409 HE3 TRP 54 HE3 TRP 54 -0.921 -0.395 0.726 410 HZ2 TRP 54 HZ2 TRP 54 0.586 -4.447 3.206 411 HZ3 TRP 54 HZ3 TRP 54 1.213 -0.421 1.944 412 HH2 TRP 54 HH2 TRP 54 1.947 -2.401 3.160 413 H GLU 55 H GLU 55 -5.720 -3.444 -1.607 414 HA GLU 55 HA GLU 55 -4.969 -6.074 -1.042 415 1HB GLU 55 2HB GLU 55 -7.301 -5.300 -2.787 416 2HB GLU 55 1HB GLU 55 -7.143 -6.737 -1.789 417 1HG GLU 55 2HG GLU 55 -7.149 -5.278 0.214 418 2HG GLU 55 1HG GLU 55 -7.467 -3.904 -0.847 419 H LEU 56 H LEU 56 -5.835 -4.659 -4.173 420 HA LEU 56 HA LEU 56 -5.277 -6.845 -5.784 421 1HB LEU 56 2HB LEU 56 -5.327 -3.893 -6.191 422 2HB LEU 56 1HB LEU 56 -4.721 -4.899 -7.487 423 HG LEU 56 HG LEU 56 -6.864 -6.137 -7.498 424 1HD1 LEU 56 1HD1 LEU 56 -7.345 -4.397 -5.160 425 2HD1 LEU 56 2HD1 LEU 56 -7.908 -6.035 -5.495 426 3HD1 LEU 56 3HD1 LEU 56 -8.705 -4.655 -6.251 427 1HD2 LEU 56 1HD2 LEU 56 -8.264 -4.180 -8.321 428 2HD2 LEU 56 2HD2 LEU 56 -6.706 -4.433 -9.107 429 3HD2 LEU 56 3HD2 LEU 56 -6.887 -3.162 -7.899 430 H SER 57 H SER 57 -3.164 -4.369 -4.511 431 HA SER 57 HA SER 57 -0.855 -5.398 -5.919 432 1HB SER 57 2HB SER 57 -1.083 -3.234 -3.820 433 2HB SER 57 1HB SER 57 0.328 -3.564 -4.815 434 HG SER 57 HG SER 57 -2.206 -2.615 -5.645 435 H ASP 58 H ASP 58 -2.396 -5.838 -2.867 436 HA ASP 58 HA ASP 58 0.012 -6.995 -1.661 437 1HB ASP 58 2HB ASP 58 -1.568 -5.314 -0.489 438 2HB ASP 58 1HB ASP 58 -2.658 -6.683 -0.303 439 H PHE 59 H PHE 59 -0.849 -8.553 -3.702 440 HA PHE 59 HA PHE 59 -2.796 -10.443 -3.329 441 1HB PHE 59 2HB PHE 59 -0.171 -10.494 -4.731 442 2HB PHE 59 1HB PHE 59 -1.046 -12.009 -4.540 443 HD1 PHE 59 HD1 PHE 59 -3.767 -11.470 -4.974 444 HD2 PHE 59 HD2 PHE 59 -0.408 -9.641 -6.837 445 HE1 PHE 59 HE1 PHE 59 -5.147 -10.956 -6.946 446 HE2 PHE 59 HE2 PHE 59 -1.784 -9.119 -8.811 447 HZ PHE 59 HZ PHE 59 -4.153 -9.783 -8.868 448 H ASP 60 H ASP 60 -0.219 -9.972 -1.231 449 HA ASP 60 HA ASP 60 -0.232 -12.756 -0.337 450 1HB ASP 60 2HB ASP 60 1.596 -11.879 1.226 451 2HB ASP 60 1HB ASP 60 1.974 -11.927 -0.496 452 H LYS 61 H LYS 61 -1.080 -9.481 0.733 453 HA LYS 61 HA LYS 61 -2.455 -8.771 2.420 454 1HB LYS 61 2HB LYS 61 -3.343 -11.513 1.922 455 2HB LYS 61 1HB LYS 61 -3.686 -10.943 3.551 456 1HG LYS 61 2HG LYS 61 -5.542 -10.533 2.000 457 2HG LYS 61 1HG LYS 61 -4.886 -9.042 2.675 458 1HD LYS 61 2HD LYS 61 -3.640 -8.627 0.635 459 2HD LYS 61 1HD LYS 61 -4.189 -10.164 -0.038 460 1HE LYS 61 2HE LYS 61 -5.492 -8.339 -0.959 461 2HE LYS 61 1HE LYS 61 -6.510 -9.359 0.056 462 1HZ LYS 61 1HZ LYS 61 -5.390 -6.696 0.730 463 2HZ LYS 61 2HZ LYS 61 -6.128 -7.705 1.870 464 3HZ LYS 61 3HZ LYS 61 -7.022 -7.116 0.559 465 H ASP 62 H ASP 62 0.074 -8.967 3.040 466 HA ASP 62 HA ASP 62 0.365 -10.376 5.594 467 1HB ASP 62 2HB ASP 62 2.733 -9.759 5.361 468 2HB ASP 62 1HB ASP 62 2.151 -10.537 3.887 469 H GLY 63 H GLY 63 0.030 -7.219 4.184 470 1HA GLY 63 2HA GLY 63 -0.880 -5.436 5.615 471 2HA GLY 63 1HA GLY 63 0.202 -6.013 6.881 472 H ALA 64 H ALA 64 2.192 -6.523 4.655 473 HA ALA 64 HA ALA 64 3.216 -3.774 4.427 474 1HB ALA 64 1HB ALA 64 4.947 -6.222 4.375 475 2HB ALA 64 2HB ALA 64 4.451 -5.484 5.897 476 3HB ALA 64 3HB ALA 64 5.395 -4.553 4.733 477 H LEU 65 H LEU 65 3.938 -3.066 2.470 478 HA LEU 65 HA LEU 65 3.397 -4.809 0.195 479 1HB LEU 65 2HB LEU 65 2.824 -2.104 0.765 480 2HB LEU 65 1HB LEU 65 3.960 -2.119 -0.568 481 HG LEU 65 HG LEU 65 2.492 -3.527 -1.871 482 1HD1 LEU 65 1HD1 LEU 65 0.096 -3.432 -0.348 483 2HD1 LEU 65 2HD1 LEU 65 1.365 -4.165 0.634 484 3HD1 LEU 65 3HD1 LEU 65 0.972 -4.840 -0.948 485 1HD2 LEU 65 1HD2 LEU 65 1.731 -0.905 -0.892 486 2HD2 LEU 65 2HD2 LEU 65 0.346 -1.840 -1.455 487 3HD2 LEU 65 3HD2 LEU 65 1.711 -1.547 -2.534 488 H THR 66 H THR 66 5.060 -5.712 -0.793 489 HA THR 66 HA THR 66 7.757 -4.853 -0.290 490 HB THR 66 HB THR 66 7.473 -7.205 -0.613 491 HG1 THR 66 HG1 THR 66 9.388 -6.334 -1.527 492 1HG2 THR 66 1HG2 THR 66 6.837 -7.467 -3.350 493 2HG2 THR 66 2HG2 THR 66 5.645 -6.376 -2.646 494 3HG2 THR 66 3HG2 THR 66 5.881 -7.982 -1.959 495 H LEU 67 H LEU 67 9.213 -3.993 -1.806 496 HA LEU 67 HA LEU 67 8.435 -1.859 -3.262 497 1HB LEU 67 2HB LEU 67 10.796 -2.824 -2.785 498 2HB LEU 67 1HB LEU 67 10.608 -3.634 -4.328 499 HG LEU 67 HG LEU 67 10.622 -0.657 -3.849 500 1HD1 LEU 67 1HD1 LEU 67 12.824 -1.584 -3.754 501 2HD1 LEU 67 2HD1 LEU 67 12.632 -0.779 -5.311 502 3HD1 LEU 67 3HD1 LEU 67 12.540 -2.537 -5.210 503 1HD2 LEU 67 1HD2 LEU 67 9.661 -2.270 -6.111 504 2HD2 LEU 67 2HD2 LEU 67 10.763 -0.960 -6.534 505 3HD2 LEU 67 3HD2 LEU 67 9.277 -0.610 -5.651 506 H ASP 68 H ASP 68 8.567 -5.214 -4.457 507 HA ASP 68 HA ASP 68 7.915 -4.647 -7.124 508 1HB ASP 68 2HB ASP 68 8.275 -6.957 -5.513 509 2HB ASP 68 1HB ASP 68 6.727 -7.119 -6.325 510 H GLU 69 H GLU 69 5.835 -5.388 -4.327 511 HA GLU 69 HA GLU 69 3.371 -5.216 -5.690 512 1HB GLU 69 2HB GLU 69 3.983 -4.513 -2.800 513 2HB GLU 69 1HB GLU 69 2.371 -4.729 -3.467 514 1HG GLU 69 2HG GLU 69 2.843 -7.064 -3.919 515 2HG GLU 69 1HG GLU 69 4.486 -6.863 -3.331 516 H PHE 70 H PHE 70 5.367 -2.838 -4.024 517 HA PHE 70 HA PHE 70 3.793 -0.564 -4.240 518 1HB PHE 70 2HB PHE 70 5.765 -0.367 -2.976 519 2HB PHE 70 1HB PHE 70 6.756 -1.059 -4.247 520 HD1 PHE 70 HD1 PHE 70 8.405 0.653 -4.147 521 HD2 PHE 70 HD2 PHE 70 4.328 1.614 -4.923 522 HE1 PHE 70 HE1 PHE 70 9.076 2.894 -4.896 523 HE2 PHE 70 HE2 PHE 70 4.998 3.863 -5.668 524 HZ PHE 70 HZ PHE 70 7.378 4.504 -5.644 525 H CYS 71 H CYS 71 6.285 -1.697 -6.501 526 HA CYS 71 HA CYS 71 6.023 0.118 -8.542 527 1HB CYS 71 2HB CYS 71 6.639 -2.812 -8.460 528 2HB CYS 71 1HB CYS 71 6.464 -2.023 -10.016 529 HG CYS 71 HG CYS 71 8.967 -1.499 -10.094 530 H ALA 72 H ALA 72 4.204 -2.902 -8.146 531 HA ALA 72 HA ALA 72 2.483 -2.530 -10.351 532 1HB ALA 72 1HB ALA 72 2.456 -4.705 -9.744 533 2HB ALA 72 2HB ALA 72 1.038 -4.182 -8.833 534 3HB ALA 72 3HB ALA 72 2.599 -4.342 -8.025 535 H ALA 73 H ALA 73 1.985 -1.820 -6.891 536 HA ALA 73 HA ALA 73 -0.688 -1.067 -7.008 537 1HB ALA 73 1HB ALA 73 -0.439 -0.476 -4.850 538 2HB ALA 73 2HB ALA 73 0.986 0.510 -5.174 539 3HB ALA 73 3HB ALA 73 1.141 -1.240 -5.026 540 H PHE 74 H PHE 74 2.174 1.076 -7.148 541 HA PHE 74 HA PHE 74 0.813 3.461 -7.581 542 1HB PHE 74 2HB PHE 74 3.325 3.070 -7.195 543 2HB PHE 74 1HB PHE 74 3.430 2.820 -8.935 544 HD1 PHE 74 HD1 PHE 74 1.965 4.777 -10.231 545 HD2 PHE 74 HD2 PHE 74 4.016 5.129 -6.521 546 HE1 PHE 74 HE1 PHE 74 2.129 7.208 -10.558 547 HE2 PHE 74 HE2 PHE 74 4.184 7.562 -6.839 548 HZ PHE 74 HZ PHE 74 3.237 8.605 -8.859 549 H HIS 75 H HIS 75 2.077 1.168 -10.000 550 HA HIS 75 HA HIS 75 1.222 2.520 -12.305 551 1HB HIS 75 2HB HIS 75 2.583 0.207 -11.747 552 2HB HIS 75 1HB HIS 75 1.079 -0.411 -12.401 553 HD1 HIS 75 HD1 HIS 75 3.263 2.521 -13.543 554 HD2 HIS 75 HD2 HIS 75 1.548 -0.987 -14.961 555 HE1 HIS 75 HE1 HIS 75 3.861 2.377 -15.989 556 H LEU 76 H LEU 76 -0.307 -0.104 -10.487 557 HA LEU 76 HA LEU 76 -2.632 -0.390 -11.947 558 1HB LEU 76 2HB LEU 76 -2.268 -1.983 -10.293 559 2HB LEU 76 1HB LEU 76 -1.926 -0.777 -9.067 560 HG LEU 76 HG LEU 76 -4.306 -0.158 -9.048 561 1HD1 LEU 76 1HD1 LEU 76 -5.602 -2.323 -10.146 562 2HD1 LEU 76 2HD1 LEU 76 -4.354 -1.950 -11.335 563 3HD1 LEU 76 3HD1 LEU 76 -5.506 -0.707 -10.845 564 1HD2 LEU 76 1HD2 LEU 76 -3.091 -2.516 -8.036 565 2HD2 LEU 76 2HD2 LEU 76 -4.764 -2.891 -8.451 566 3HD2 LEU 76 3HD2 LEU 76 -4.405 -1.569 -7.339 567 H VAL 77 H VAL 77 -1.982 1.780 -9.210 568 HA VAL 77 HA VAL 77 -4.446 3.005 -8.948 569 HB VAL 77 HB VAL 77 -1.689 4.232 -8.734 570 1HG1 VAL 77 1HG1 VAL 77 -4.386 5.370 -8.224 571 2HG1 VAL 77 2HG1 VAL 77 -2.937 6.137 -8.876 572 3HG1 VAL 77 3HG1 VAL 77 -3.061 5.813 -7.147 573 1HG2 VAL 77 1HG2 VAL 77 -1.828 2.556 -7.118 574 2HG2 VAL 77 2HG2 VAL 77 -3.522 2.899 -6.771 575 3HG2 VAL 77 3HG2 VAL 77 -2.269 4.023 -6.246 576 H VAL 78 H VAL 78 -1.794 3.853 -11.097 577 HA VAL 78 HA VAL 78 -2.871 6.079 -12.349 578 HB VAL 78 HB VAL 78 -1.126 3.913 -13.513 579 1HG1 VAL 78 1HG1 VAL 78 -1.404 4.962 -15.457 580 2HG1 VAL 78 2HG1 VAL 78 -0.500 6.304 -14.755 581 3HG1 VAL 78 3HG1 VAL 78 -2.263 6.301 -14.695 582 1HG2 VAL 78 1HG2 VAL 78 -0.568 5.614 -11.435 583 2HG2 VAL 78 2HG2 VAL 78 0.103 6.463 -12.827 584 3HG2 VAL 78 3HG2 VAL 78 0.624 4.818 -12.464 585 H ALA 79 H ALA 79 -3.276 2.638 -13.115 586 HA ALA 79 HA ALA 79 -4.707 2.865 -15.489 587 1HB ALA 79 1HB ALA 79 -4.380 0.813 -13.412 588 2HB ALA 79 2HB ALA 79 -4.255 0.685 -15.166 589 3HB ALA 79 3HB ALA 79 -5.840 0.668 -14.390 590 H ARG 80 H ARG 80 -6.065 2.529 -12.184 591 HA ARG 80 HA ARG 80 -8.735 2.909 -13.000 592 1HB ARG 80 2HB ARG 80 -8.189 1.956 -10.815 593 2HB ARG 80 1HB ARG 80 -7.488 3.487 -10.310 594 1HG ARG 80 2HG ARG 80 -9.530 4.545 -10.166 595 2HG ARG 80 1HG ARG 80 -10.328 3.389 -11.229 596 1HD ARG 80 2HD ARG 80 -11.032 3.135 -8.898 597 2HD ARG 80 1HD ARG 80 -10.222 1.692 -9.502 598 HE ARG 80 HE ARG 80 -8.293 3.246 -8.258 599 1HH1 ARG 80 2HH1 ARG 80 -11.199 1.545 -7.416 600 2HH1 ARG 80 1HH1 ARG 80 -10.693 1.275 -5.782 601 1HH2 ARG 80 1HH2 ARG 80 -7.655 2.893 -6.127 602 2HH2 ARG 80 2HH2 ARG 80 -8.706 2.039 -5.051 603 H LYS 81 H LYS 81 -6.223 5.171 -12.008 604 HA LYS 81 HA LYS 81 -7.742 7.500 -11.782 605 1HB LYS 81 2HB LYS 81 -5.436 7.528 -11.125 606 2HB LYS 81 1HB LYS 81 -4.915 7.086 -12.747 607 1HG LYS 81 2HG LYS 81 -5.826 9.243 -13.569 608 2HG LYS 81 1HG LYS 81 -6.164 9.687 -11.896 609 1HD LYS 81 2HD LYS 81 -3.821 9.584 -11.345 610 2HD LYS 81 1HD LYS 81 -3.432 8.971 -12.954 611 1HE LYS 81 2HE LYS 81 -2.947 11.375 -12.725 612 2HE LYS 81 1HE LYS 81 -4.163 11.049 -13.958 613 1HZ LYS 81 1HZ LYS 81 -5.630 12.288 -12.880 614 2HZ LYS 81 2HZ LYS 81 -4.388 12.788 -11.846 615 3HZ LYS 81 3HZ LYS 81 -5.364 11.475 -11.417 616 H ASN 82 H ASN 82 -6.135 6.145 -14.625 617 HA ASN 82 HA ASN 82 -7.440 8.116 -16.339 618 1HB ASN 82 2HB ASN 82 -5.285 6.071 -16.868 619 2HB ASN 82 1HB ASN 82 -6.008 7.057 -18.137 620 1HD2 ASN 82 1HD2 ASN 82 -6.062 8.850 -15.392 621 2HD2 ASN 82 2HD2 ASN 82 -4.581 9.717 -15.603 622 H GLY 83 H GLY 83 -9.181 6.333 -15.157 623 1HA GLY 83 2HA GLY 83 -10.558 5.347 -17.444 624 2HA GLY 83 1HA GLY 83 -9.808 4.024 -16.565 625 H TYR 84 H TYR 84 -10.748 3.277 -14.728 626 HA TYR 84 HA TYR 84 -12.660 4.800 -13.253 627 1HB TYR 84 2HB TYR 84 -13.590 3.098 -15.418 628 2HB TYR 84 1HB TYR 84 -14.290 2.642 -13.866 629 HD1 TYR 84 HD1 TYR 84 -14.755 4.655 -16.662 630 HD2 TYR 84 HD2 TYR 84 -15.068 4.756 -12.422 631 HE1 TYR 84 HE1 TYR 84 -16.356 6.515 -16.828 632 HE2 TYR 84 HE2 TYR 84 -16.668 6.612 -12.575 633 HH TYR 84 HH TYR 84 -17.698 7.890 -15.721 634 H ASP 85 H ASP 85 -14.026 3.003 -11.879 635 HA ASP 85 HA ASP 85 -12.059 1.848 -10.197 636 1HB ASP 85 2HB ASP 85 -14.187 2.746 -9.332 637 2HB ASP 85 1HB ASP 85 -15.046 1.425 -10.130 638 H LEU 86 H LEU 86 -11.803 -0.314 -9.587 639 HA LEU 86 HA LEU 86 -12.197 -2.186 -11.801 640 1HB LEU 86 2HB LEU 86 -10.351 -2.141 -9.432 641 2HB LEU 86 1HB LEU 86 -10.562 -3.581 -10.411 642 HG LEU 86 HG LEU 86 -8.562 -2.293 -11.046 643 1HD1 LEU 86 1HD1 LEU 86 -9.938 -3.673 -12.661 644 2HD1 LEU 86 2HD1 LEU 86 -8.874 -2.462 -13.375 645 3HD1 LEU 86 3HD1 LEU 86 -10.605 -2.149 -13.246 646 1HD2 LEU 86 1HD2 LEU 86 -9.490 -0.057 -10.488 647 2HD2 LEU 86 2HD2 LEU 86 -10.503 -0.158 -11.928 648 3HD2 LEU 86 3HD2 LEU 86 -8.747 -0.129 -12.087 649 HA PRO 87 HA PRO 87 -15.390 -4.381 -9.616 650 1HB PRO 87 2HB PRO 87 -15.244 -6.725 -10.996 651 2HB PRO 87 1HB PRO 87 -15.998 -5.264 -11.645 652 1HG PRO 87 2HG PRO 87 -13.256 -6.360 -12.142 653 2HG PRO 87 1HG PRO 87 -14.413 -5.673 -13.297 654 1HD PRO 87 2HD PRO 87 -12.324 -4.258 -12.339 655 2HD PRO 87 1HD PRO 87 -13.880 -3.500 -12.731 656 H GLU 88 H GLU 88 -13.259 -4.267 -8.011 657 HA GLU 88 HA GLU 88 -11.743 -5.413 -6.697 658 1HB GLU 88 2HB GLU 88 -12.941 -6.808 -5.059 659 2HB GLU 88 1HB GLU 88 -13.711 -5.258 -5.348 660 1HG GLU 88 2HG GLU 88 -15.435 -6.276 -6.647 661 2HG GLU 88 1HG GLU 88 -14.602 -7.834 -6.621 662 H LYS 89 H LYS 89 -10.737 -6.413 -8.667 663 HA LYS 89 HA LYS 89 -11.127 -8.919 -9.652 664 1HB LYS 89 2HB LYS 89 -8.485 -7.670 -8.877 665 2HB LYS 89 1HB LYS 89 -8.663 -9.052 -9.948 666 1HG LYS 89 2HG LYS 89 -9.940 -7.653 -11.509 667 2HG LYS 89 1HG LYS 89 -9.695 -6.269 -10.442 668 1HD LYS 89 2HD LYS 89 -7.306 -6.394 -10.753 669 2HD LYS 89 1HD LYS 89 -7.474 -7.876 -11.696 670 1HE LYS 89 2HE LYS 89 -8.772 -6.625 -13.375 671 2HE LYS 89 1HE LYS 89 -8.515 -5.149 -12.447 672 1HZ LYS 89 1HZ LYS 89 -6.409 -6.812 -13.715 673 2HZ LYS 89 2HZ LYS 89 -6.119 -5.447 -12.762 674 3HZ LYS 89 3HZ LYS 89 -6.934 -5.290 -14.235 675 H LEU 90 H LEU 90 -9.977 -8.067 -6.482 676 HA LEU 90 HA LEU 90 -8.743 -10.388 -5.634 677 1HB LEU 90 2HB LEU 90 -9.469 -8.008 -4.488 678 2HB LEU 90 1HB LEU 90 -10.478 -9.152 -3.622 679 HG LEU 90 HG LEU 90 -8.328 -10.471 -3.192 680 1HD1 LEU 90 1HD1 LEU 90 -6.252 -9.336 -3.362 681 2HD1 LEU 90 2HD1 LEU 90 -7.040 -7.824 -3.815 682 3HD1 LEU 90 3HD1 LEU 90 -7.041 -9.189 -4.932 683 1HD2 LEU 90 1HD2 LEU 90 -8.704 -7.743 -1.963 684 2HD2 LEU 90 2HD2 LEU 90 -7.744 -9.052 -1.275 685 3HD2 LEU 90 3HD2 LEU 90 -9.488 -9.239 -1.455 686 HA PRO 91 HA PRO 91 -12.363 -13.105 -5.997 687 1HB PRO 91 2HB PRO 91 -10.927 -15.395 -5.627 688 2HB PRO 91 1HB PRO 91 -11.070 -14.578 -7.188 689 1HG PRO 91 2HG PRO 91 -8.855 -14.445 -5.177 690 2HG PRO 91 1HG PRO 91 -8.755 -14.600 -6.942 691 1HD PRO 91 2HD PRO 91 -8.374 -12.242 -5.703 692 2HD PRO 91 1HD PRO 91 -9.167 -12.347 -7.288 693 H GLU 92 H GLU 92 -13.652 -13.806 -4.418 694 HA GLU 92 HA GLU 92 -12.979 -13.435 -1.692 695 1HB GLU 92 2HB GLU 92 -15.324 -14.995 -2.777 696 2HB GLU 92 1HB GLU 92 -15.206 -14.200 -1.214 697 1HG GLU 92 2HG GLU 92 -16.458 -12.656 -2.309 698 2HG GLU 92 1HG GLU 92 -14.855 -12.064 -2.741 699 H SER 93 H SER 93 -11.212 -15.320 -2.985 700 HA SER 93 HA SER 93 -11.875 -17.873 -1.694 701 1HB SER 93 2HB SER 93 -9.676 -17.265 -3.680 702 2HB SER 93 1HB SER 93 -10.162 -18.863 -3.108 703 HG SER 93 HG SER 93 -11.968 -18.757 -4.285 704 H LEU 94 H LEU 94 -9.350 -15.405 -1.818 705 HA LEU 94 HA LEU 94 -7.874 -16.781 0.303 706 1HB LEU 94 2HB LEU 94 -7.150 -14.369 -1.359 707 2HB LEU 94 1HB LEU 94 -6.127 -15.067 -0.118 708 HG LEU 94 HG LEU 94 -6.990 -16.431 -2.668 709 1HD1 LEU 94 1HD1 LEU 94 -5.045 -15.813 -3.596 710 2HD1 LEU 94 2HD1 LEU 94 -4.149 -16.002 -2.089 711 3HD1 LEU 94 3HD1 LEU 94 -5.072 -14.530 -2.387 712 1HD2 LEU 94 1HD2 LEU 94 -5.557 -17.378 -0.230 713 2HD2 LEU 94 2HD2 LEU 94 -5.111 -18.032 -1.806 714 3HD2 LEU 94 3HD2 LEU 94 -6.765 -18.201 -1.217 715 H MET 95 H MET 95 -9.726 -13.872 -0.282 716 HA MET 95 HA MET 95 -9.769 -13.390 2.589 717 1HB MET 95 2HB MET 95 -8.451 -11.684 0.625 718 2HB MET 95 1HB MET 95 -9.656 -10.827 1.574 719 1HG MET 95 2HG MET 95 -7.397 -12.454 2.712 720 2HG MET 95 1HG MET 95 -7.404 -10.699 2.541 721 1HE MET 95 1HE MET 95 -6.873 -10.409 5.190 722 2HE MET 95 2HE MET 95 -6.787 -12.169 5.249 723 3HE MET 95 3HE MET 95 -7.768 -11.296 6.425 724 HA PRO 96 HA PRO 96 -13.987 -12.905 1.055 725 1HB PRO 96 2HB PRO 96 -15.192 -13.659 3.358 726 2HB PRO 96 1HB PRO 96 -14.547 -14.816 2.192 727 1HG PRO 96 2HG PRO 96 -13.441 -13.941 4.802 728 2HG PRO 96 1HG PRO 96 -13.312 -15.510 3.992 729 1HD PRO 96 2HD PRO 96 -11.338 -13.536 4.066 730 2HD PRO 96 1HD PRO 96 -11.387 -14.914 2.954 731 H LYS 97 HN LYS 97 -15.815 -11.537 1.749 732 HA LYS 97 HA LYS 97 -14.834 -9.177 3.183 733 1HB LYS 97 2HB LYS 97 -17.352 -9.501 1.539 734 2HB LYS 97 1HB LYS 97 -16.727 -7.998 2.197 735 1HG LYS 97 2HG LYS 97 -14.854 -8.040 0.727 736 2HG LYS 97 1HG LYS 97 -15.251 -9.674 0.184 737 1HD LYS 97 2HD LYS 97 -17.363 -8.838 -0.749 738 2HD LYS 97 1HD LYS 97 -16.937 -7.209 -0.232 739 1HE LYS 97 2HE LYS 97 -15.165 -8.801 -2.050 740 2HE LYS 97 1HE LYS 97 -16.516 -7.859 -2.673 741 1HZ LYS 97 1HZ LYS 97 -15.544 -5.875 -1.961 742 2HZ LYS 97 2HZ LYS 97 -14.279 -6.747 -2.650 743 3HZ LYS 97 3HZ LYS 97 -14.415 -6.653 -0.965 Start of MODEL 25 1 1H TRP 6 1H TRP 6 3.701 -7.399 -16.492 2 2H TRP 6 2H TRP 6 4.357 -5.847 -16.369 3 3H TRP 6 3H TRP 6 4.074 -6.524 -17.892 4 HA TRP 6 HA TRP 6 1.673 -6.552 -17.418 5 1HB TRP 6 2HB TRP 6 2.115 -6.592 -14.913 6 2HB TRP 6 1HB TRP 6 2.425 -4.863 -15.029 7 HD1 TRP 6 HD1 TRP 6 -0.442 -7.316 -15.927 8 HE1 TRP 6 HE1 TRP 6 -2.675 -6.117 -15.498 9 HE3 TRP 6 HE3 TRP 6 1.339 -2.727 -14.521 10 HZ2 TRP 6 HZ2 TRP 6 -3.571 -3.579 -14.691 11 HZ3 TRP 6 HZ3 TRP 6 -0.284 -0.965 -13.943 12 HH2 TRP 6 HH2 TRP 6 -2.689 -1.388 -14.033 13 H LYS 7 H LYS 7 3.227 -5.234 -19.250 14 HA LYS 7 HA LYS 7 3.401 -3.322 -20.485 15 1HB LYS 7 2HB LYS 7 0.726 -3.447 -19.455 16 2HB LYS 7 1HB LYS 7 1.226 -1.766 -19.553 17 1HG LYS 7 2HG LYS 7 1.786 -2.066 -21.911 18 2HG LYS 7 1HG LYS 7 1.295 -3.757 -21.815 19 1HD LYS 7 2HD LYS 7 -0.505 -1.394 -21.282 20 2HD LYS 7 1HD LYS 7 -0.445 -2.296 -22.796 21 1HE LYS 7 2HE LYS 7 -2.306 -3.074 -21.481 22 2HE LYS 7 1HE LYS 7 -1.080 -4.340 -21.558 23 1HZ LYS 7 1HZ LYS 7 -2.187 -3.760 -19.312 24 2HZ LYS 7 2HZ LYS 7 -1.101 -2.464 -19.289 25 3HZ LYS 7 3HZ LYS 7 -0.524 -4.054 -19.361 26 H ILE 8 H ILE 8 5.056 -3.278 -18.353 27 HA ILE 8 HA ILE 8 4.807 -0.592 -17.179 28 HB ILE 8 HB ILE 8 6.591 -2.877 -16.309 29 1HG1 ILE 8 2HG1 ILE 8 4.024 -1.835 -15.088 30 2HG1 ILE 8 1HG1 ILE 8 4.225 -3.382 -15.905 31 1HG2 ILE 8 1HG2 ILE 8 6.291 -0.063 -15.431 32 2HG2 ILE 8 2HG2 ILE 8 7.718 -1.099 -15.461 33 3HG2 ILE 8 3HG2 ILE 8 6.521 -1.284 -14.179 34 1HD1 ILE 8 1HD1 ILE 8 5.823 -4.064 -14.170 35 2HD1 ILE 8 2HD1 ILE 8 4.228 -3.693 -13.513 36 3HD1 ILE 8 3HD1 ILE 8 5.546 -2.534 -13.337 37 H THR 9 H THR 9 6.193 0.979 -17.833 38 HA THR 9 HA THR 9 8.441 0.183 -19.561 39 HB THR 9 HB THR 9 7.463 3.011 -19.259 40 HG1 THR 9 HG1 THR 9 6.122 2.607 -21.078 41 1HG2 THR 9 1HG2 THR 9 8.370 2.239 -21.870 42 2HG2 THR 9 2HG2 THR 9 9.568 1.776 -20.662 43 3HG2 THR 9 3HG2 THR 9 9.033 3.452 -20.775 44 H ASP 10 H ASP 10 10.509 0.807 -19.154 45 HA ASP 10 HA ASP 10 11.409 1.113 -16.580 46 1HB ASP 10 2HB ASP 10 12.519 1.138 -19.191 47 2HB ASP 10 1HB ASP 10 13.200 2.509 -18.319 48 H GLU 11 H GLU 11 10.659 3.699 -18.926 49 HA GLU 11 HA GLU 11 11.530 5.884 -17.494 50 1HB GLU 11 2HB GLU 11 9.264 5.503 -19.420 51 2HB GLU 11 1HB GLU 11 9.636 7.072 -18.734 52 1HG GLU 11 2HG GLU 11 10.647 6.628 -20.974 53 2HG GLU 11 1HG GLU 11 11.796 7.080 -19.711 54 H GLN 12 H GLN 12 8.402 4.197 -17.220 55 HA GLN 12 HA GLN 12 7.362 6.041 -15.304 56 1HB GLN 12 2HB GLN 12 6.365 3.801 -16.722 57 2HB GLN 12 1HB GLN 12 6.147 3.463 -15.006 58 1HG GLN 12 2HG GLN 12 5.002 5.604 -14.730 59 2HG GLN 12 1HG GLN 12 5.207 5.935 -16.447 60 1HE2 GLN 12 1HE2 GLN 12 4.721 2.726 -16.327 61 2HE2 GLN 12 2HE2 GLN 12 3.006 2.681 -16.491 62 H ARG 13 H ARG 13 9.097 2.993 -15.110 63 HA ARG 13 HA ARG 13 8.853 2.303 -12.470 64 1HB ARG 13 2HB ARG 13 10.253 1.267 -14.394 65 2HB ARG 13 1HB ARG 13 11.536 2.320 -13.822 66 1HG ARG 13 2HG ARG 13 12.011 0.413 -12.675 67 2HG ARG 13 1HG ARG 13 10.982 1.242 -11.507 68 1HD ARG 13 2HD ARG 13 9.592 -0.503 -11.520 69 2HD ARG 13 1HD ARG 13 9.284 -0.225 -13.233 70 HE ARG 13 HE ARG 13 10.515 -2.442 -12.318 71 1HH1 ARG 13 2HH1 ARG 13 11.515 0.149 -14.409 72 2HH1 ARG 13 1HH1 ARG 13 12.714 -0.797 -15.203 73 1HH2 ARG 13 1HH2 ARG 13 12.041 -3.654 -13.398 74 2HH2 ARG 13 2HH2 ARG 13 13.002 -2.943 -14.644 75 H GLN 14 H GLN 14 11.353 4.450 -13.818 76 HA GLN 14 HA GLN 14 12.508 5.214 -11.395 77 1HB GLN 14 2HB GLN 14 13.554 7.013 -12.649 78 2HB GLN 14 1HB GLN 14 13.539 5.552 -13.624 79 1HG GLN 14 2HG GLN 14 11.553 6.387 -14.794 80 2HG GLN 14 1HG GLN 14 11.655 7.876 -13.861 81 1HE2 GLN 14 1HE2 GLN 14 14.729 6.809 -14.422 82 2HE2 GLN 14 2HE2 GLN 14 15.085 7.730 -15.841 83 H TYR 15 H TYR 15 9.881 6.679 -13.254 84 HA TYR 15 HA TYR 15 9.533 9.052 -11.940 85 1HB TYR 15 2HB TYR 15 8.132 8.494 -13.809 86 2HB TYR 15 1HB TYR 15 7.419 7.139 -12.939 87 HD1 TYR 15 HD1 TYR 15 5.172 7.625 -12.686 88 HD2 TYR 15 HD2 TYR 15 8.029 10.669 -11.865 89 HE1 TYR 15 HE1 TYR 15 3.372 9.083 -11.867 90 HE2 TYR 15 HE2 TYR 15 6.233 12.136 -11.041 91 HH TYR 15 HH TYR 15 3.845 12.416 -11.250 92 H TYR 16 H TYR 16 8.111 5.937 -10.957 93 HA TYR 16 HA TYR 16 6.927 6.922 -8.579 94 1HB TYR 16 2HB TYR 16 7.854 4.086 -9.034 95 2HB TYR 16 1HB TYR 16 6.515 4.639 -8.034 96 HD1 TYR 16 HD1 TYR 16 5.492 6.648 -10.218 97 HD2 TYR 16 HD2 TYR 16 6.509 2.514 -10.268 98 HE1 TYR 16 HE1 TYR 16 3.958 6.297 -12.110 99 HE2 TYR 16 HE2 TYR 16 4.978 2.155 -12.157 100 HH TYR 16 HH TYR 16 2.917 4.749 -13.382 101 H VAL 17 H VAL 17 9.905 5.088 -9.163 102 HA VAL 17 HA VAL 17 10.867 4.936 -6.571 103 HB VAL 17 HB VAL 17 12.522 5.288 -9.076 104 1HG1 VAL 17 1HG1 VAL 17 14.141 5.467 -7.505 105 2HG1 VAL 17 2HG1 VAL 17 13.998 3.709 -7.490 106 3HG1 VAL 17 3HG1 VAL 17 13.177 4.672 -6.261 107 1HG2 VAL 17 1HG2 VAL 17 12.620 2.650 -8.523 108 2HG2 VAL 17 2HG2 VAL 17 11.479 3.375 -9.654 109 3HG2 VAL 17 3HG2 VAL 17 10.978 3.022 -8.000 110 H ASN 18 H ASN 18 11.059 7.616 -8.864 111 HA ASN 18 HA ASN 18 12.966 9.221 -7.799 112 1HB ASN 18 2HB ASN 18 10.450 9.654 -9.234 113 2HB ASN 18 1HB ASN 18 10.979 11.032 -8.291 114 1HD2 ASN 18 1HD2 ASN 18 11.081 9.773 -11.244 115 2HD2 ASN 18 2HD2 ASN 18 12.582 10.411 -11.809 116 H GLN 19 H GLN 19 9.650 8.837 -6.563 117 HA GLN 19 HA GLN 19 10.340 10.518 -4.264 118 1HB GLN 19 2HB GLN 19 7.905 9.955 -5.655 119 2HB GLN 19 1HB GLN 19 7.718 9.467 -3.977 120 1HG GLN 19 2HG GLN 19 8.583 11.749 -3.345 121 2HG GLN 19 1HG GLN 19 8.422 12.185 -5.044 122 1HE2 GLN 19 1HE2 GLN 19 6.360 12.307 -5.948 123 2HE2 GLN 19 2HE2 GLN 19 4.947 12.446 -4.973 124 H PHE 20 H PHE 20 9.055 7.261 -4.930 125 HA PHE 20 HA PHE 20 9.022 6.334 -2.320 126 1HB PHE 20 2HB PHE 20 9.008 5.089 -4.953 127 2HB PHE 20 1HB PHE 20 9.699 4.080 -3.681 128 HD1 PHE 20 HD1 PHE 20 8.275 2.782 -2.433 129 HD2 PHE 20 HD2 PHE 20 6.790 6.335 -4.243 130 HE1 PHE 20 HE1 PHE 20 6.021 2.260 -1.602 131 HE2 PHE 20 HE2 PHE 20 4.532 5.817 -3.415 132 HZ PHE 20 HZ PHE 20 4.153 3.782 -2.089 133 H LYS 21 H LYS 21 11.682 6.950 -4.394 134 HA LYS 21 HA LYS 21 13.742 5.378 -3.585 135 1HB LYS 21 2HB LYS 21 13.452 8.138 -4.505 136 2HB LYS 21 1HB LYS 21 14.847 7.930 -3.462 137 1HG LYS 21 2HG LYS 21 14.434 6.016 -5.698 138 2HG LYS 21 1HG LYS 21 15.041 7.635 -6.050 139 1HD LYS 21 2HD LYS 21 16.822 7.264 -4.351 140 2HD LYS 21 1HD LYS 21 16.263 5.600 -4.192 141 1HE LYS 21 2HE LYS 21 18.140 5.653 -5.693 142 2HE LYS 21 1HE LYS 21 16.681 5.278 -6.613 143 1HZ LYS 21 1HZ LYS 21 16.649 7.361 -7.574 144 2HZ LYS 21 2HZ LYS 21 18.308 7.026 -7.527 145 3HZ LYS 21 3HZ LYS 21 17.621 8.061 -6.379 146 H THR 22 H THR 22 12.197 7.964 -1.832 147 HA THR 22 HA THR 22 13.923 8.284 0.318 148 HB THR 22 HB THR 22 10.919 8.382 0.574 149 HG1 THR 22 HG1 THR 22 11.117 9.669 -1.144 150 1HG2 THR 22 1HG2 THR 22 12.610 8.781 2.515 151 2HG2 THR 22 2HG2 THR 22 11.267 9.902 2.288 152 3HG2 THR 22 3HG2 THR 22 12.879 10.331 1.716 153 H ILE 23 H ILE 23 11.319 5.924 -0.154 154 HA ILE 23 HA ILE 23 12.123 4.619 2.358 155 HB ILE 23 HB ILE 23 9.519 4.281 0.873 156 1HG1 ILE 23 2HG1 ILE 23 10.127 5.876 3.374 157 2HG1 ILE 23 1HG1 ILE 23 9.762 6.560 1.794 158 1HG2 ILE 23 1HG2 ILE 23 10.667 3.141 3.378 159 2HG2 ILE 23 2HG2 ILE 23 9.744 2.350 2.100 160 3HG2 ILE 23 3HG2 ILE 23 8.926 3.398 3.260 161 1HD1 ILE 23 1HD1 ILE 23 7.971 5.355 3.803 162 2HD1 ILE 23 2HD1 ILE 23 7.589 5.050 2.110 163 3HD1 ILE 23 3HD1 ILE 23 7.705 6.707 2.702 164 H GLN 24 H GLN 24 11.132 3.841 -1.000 165 HA GLN 24 HA GLN 24 12.775 1.420 -0.834 166 1HB GLN 24 2HB GLN 24 10.070 1.345 -0.541 167 2HB GLN 24 1HB GLN 24 10.252 1.121 -2.273 168 1HG GLN 24 2HG GLN 24 10.155 -1.025 -1.234 169 2HG GLN 24 1HG GLN 24 11.798 -0.760 -1.817 170 1HE2 GLN 24 1HE2 GLN 24 9.774 -1.132 0.961 171 2HE2 GLN 24 2HE2 GLN 24 11.044 -1.255 2.127 172 HA PRO 25 HA PRO 25 13.534 3.799 -4.776 173 1HB PRO 25 2HB PRO 25 16.137 2.937 -4.958 174 2HB PRO 25 1HB PRO 25 15.629 4.411 -4.132 175 1HG PRO 25 2HG PRO 25 16.226 1.712 -2.983 176 2HG PRO 25 1HG PRO 25 16.696 3.313 -2.380 177 1HD PRO 25 2HD PRO 25 14.650 1.980 -1.293 178 2HD PRO 25 1HD PRO 25 14.583 3.742 -1.509 179 H ASP 26 H ASP 26 15.334 0.772 -4.282 180 HA ASP 26 HA ASP 26 13.791 -0.661 -6.238 181 1HB ASP 26 2HB ASP 26 15.391 0.845 -7.492 182 2HB ASP 26 1HB ASP 26 16.696 -0.121 -6.821 183 H LEU 27 H LEU 27 14.748 -0.896 -3.423 184 HA LEU 27 HA LEU 27 16.531 -3.193 -3.515 185 1HB LEU 27 2HB LEU 27 15.256 -1.798 -1.161 186 2HB LEU 27 1HB LEU 27 16.489 -3.042 -1.068 187 HG LEU 27 HG LEU 27 16.841 -0.288 -2.257 188 1HD1 LEU 27 1HD1 LEU 27 17.430 0.385 -0.228 189 2HD1 LEU 27 2HD1 LEU 27 18.589 -0.938 -0.088 190 3HD1 LEU 27 3HD1 LEU 27 16.913 -1.176 0.408 191 1HD2 LEU 27 1HD2 LEU 27 18.786 -2.571 -1.930 192 2HD2 LEU 27 2HD2 LEU 27 19.227 -0.924 -2.385 193 3HD2 LEU 27 3HD2 LEU 27 18.202 -1.888 -3.448 194 H ASN 28 H ASN 28 15.055 -4.077 -0.928 195 HA ASN 28 HA ASN 28 12.682 -5.302 -2.145 196 1HB ASN 28 2HB ASN 28 14.701 -6.849 -2.327 197 2HB ASN 28 1HB ASN 28 14.652 -6.948 -0.568 198 1HD2 ASN 28 1HD2 ASN 28 12.913 -7.968 0.427 199 2HD2 ASN 28 2HD2 ASN 28 11.887 -9.052 -0.441 200 H GLY 29 H GLY 29 12.597 -3.235 -0.417 201 1HA GLY 29 2HA GLY 29 12.166 -4.323 2.265 202 2HA GLY 29 1HA GLY 29 12.250 -2.620 1.843 203 H PHE 30 H PHE 30 10.260 -4.102 3.406 204 HA PHE 30 HA PHE 30 7.858 -3.849 1.742 205 1HB PHE 30 2HB PHE 30 7.980 -4.931 4.552 206 2HB PHE 30 1HB PHE 30 6.765 -5.236 3.313 207 HD1 PHE 30 HD1 PHE 30 8.338 -5.952 0.991 208 HD2 PHE 30 HD2 PHE 30 8.937 -6.962 5.080 209 HE1 PHE 30 HE1 PHE 30 9.562 -7.973 0.307 210 HE2 PHE 30 HE2 PHE 30 10.162 -8.986 4.405 211 HZ PHE 30 HZ PHE 30 10.475 -9.495 2.015 212 H ILE 31 H ILE 31 6.588 -2.159 1.915 213 HA ILE 31 HA ILE 31 7.010 -0.209 4.051 214 HB ILE 31 HB ILE 31 5.721 -0.144 1.356 215 1HG1 ILE 31 2HG1 ILE 31 7.494 1.897 2.692 216 2HG1 ILE 31 1HG1 ILE 31 8.144 0.498 1.836 217 1HG2 ILE 31 1HG2 ILE 31 5.051 2.285 2.147 218 2HG2 ILE 31 2HG2 ILE 31 4.936 1.476 3.710 219 3HG2 ILE 31 3HG2 ILE 31 3.968 0.908 2.349 220 1HD1 ILE 31 1HD1 ILE 31 6.696 2.873 0.761 221 2HD1 ILE 31 2HD1 ILE 31 6.669 1.346 -0.124 222 3HD1 ILE 31 3HD1 ILE 31 8.207 2.139 0.222 223 HA PRO 32 HA PRO 32 3.394 -1.732 6.206 224 1HB PRO 32 2HB PRO 32 3.041 0.475 7.801 225 2HB PRO 32 1HB PRO 32 4.190 -0.821 8.149 226 1HG PRO 32 2HG PRO 32 4.670 1.850 6.889 227 2HG PRO 32 1HG PRO 32 5.650 0.983 8.087 228 1HD PRO 32 2HD PRO 32 6.316 1.037 5.481 229 2HD PRO 32 1HD PRO 32 6.609 -0.394 6.490 230 H GLY 33 H GLY 33 1.156 -1.405 6.051 231 1HA GLY 33 2HA GLY 33 0.102 -0.118 3.879 232 2HA GLY 33 1HA GLY 33 -0.822 -0.435 5.337 233 H SER 34 H SER 34 0.937 1.315 6.936 234 HA SER 34 HA SER 34 -0.520 3.710 6.676 235 1HB SER 34 2HB SER 34 0.490 2.970 8.803 236 2HB SER 34 1HB SER 34 2.095 3.248 8.129 237 HG SER 34 HG SER 34 1.090 4.980 9.463 238 H ALA 35 H ALA 35 2.939 3.046 5.947 239 HA ALA 35 HA ALA 35 3.471 5.570 4.847 240 1HB ALA 35 1HB ALA 35 5.129 3.863 3.464 241 2HB ALA 35 2HB ALA 35 4.806 2.993 4.965 242 3HB ALA 35 3HB ALA 35 5.480 4.622 5.017 243 H ALA 36 H ALA 36 2.212 2.596 3.414 244 HA ALA 36 HA ALA 36 2.266 3.480 0.729 245 1HB ALA 36 1HB ALA 36 1.700 1.121 1.868 246 2HB ALA 36 2HB ALA 36 1.223 1.538 0.221 247 3HB ALA 36 3HB ALA 36 0.062 1.689 1.540 248 H LYS 37 H LYS 37 -0.381 3.459 3.140 249 HA LYS 37 HA LYS 37 -2.259 4.811 1.562 250 1HB LYS 37 2HB LYS 37 -2.087 3.901 4.248 251 2HB LYS 37 1HB LYS 37 -2.532 5.598 4.305 252 1HG LYS 37 2HG LYS 37 -4.586 4.581 4.228 253 2HG LYS 37 1HG LYS 37 -4.301 4.939 2.527 254 1HD LYS 37 2HD LYS 37 -5.169 2.712 2.700 255 2HD LYS 37 1HD LYS 37 -3.468 2.604 2.244 256 1HE LYS 37 2HE LYS 37 -2.828 1.970 4.435 257 2HE LYS 37 1HE LYS 37 -4.405 2.397 5.095 258 1HZ LYS 37 1HZ LYS 37 -4.618 0.148 4.930 259 2HZ LYS 37 2HZ LYS 37 -3.607 0.017 3.582 260 3HZ LYS 37 3HZ LYS 37 -5.191 0.578 3.397 261 H GLU 38 H GLU 38 0.024 6.056 3.996 262 HA GLU 38 HA GLU 38 -0.488 8.767 3.818 263 1HB GLU 38 2HB GLU 38 1.548 7.112 4.908 264 2HB GLU 38 1HB GLU 38 2.346 8.388 4.005 265 1HG GLU 38 2HG GLU 38 0.175 9.056 5.942 266 2HG GLU 38 1HG GLU 38 1.817 8.747 6.510 267 H PHE 39 H PHE 39 1.874 6.902 1.894 268 HA PHE 39 HA PHE 39 2.753 9.022 0.299 269 1HB PHE 39 2HB PHE 39 3.274 6.293 0.529 270 2HB PHE 39 1HB PHE 39 2.724 6.507 -1.120 271 HD1 PHE 39 HD1 PHE 39 5.260 7.488 1.340 272 HD2 PHE 39 HD2 PHE 39 4.055 7.655 -2.736 273 HE1 PHE 39 HE1 PHE 39 7.489 8.322 0.721 274 HE2 PHE 39 HE2 PHE 39 6.283 8.487 -3.366 275 HZ PHE 39 HZ PHE 39 8.005 8.820 -1.636 276 H PHE 40 H PHE 40 0.364 6.479 -0.509 277 HA PHE 40 HA PHE 40 -0.345 7.576 -2.996 278 1HB PHE 40 2HB PHE 40 -1.702 5.653 -1.137 279 2HB PHE 40 1HB PHE 40 -2.488 6.186 -2.616 280 HD1 PHE 40 HD1 PHE 40 0.213 4.189 -1.200 281 HD2 PHE 40 HD2 PHE 40 -1.606 5.570 -4.789 282 HE1 PHE 40 HE1 PHE 40 1.462 2.500 -2.476 283 HE2 PHE 40 HE2 PHE 40 -0.364 3.879 -6.073 284 HZ PHE 40 HZ PHE 40 1.172 2.341 -4.917 285 H THR 41 H THR 41 -1.907 7.953 0.176 286 HA THR 41 HA THR 41 -4.170 9.297 -0.446 287 HB THR 41 HB THR 41 -2.276 9.929 1.817 288 HG1 THR 41 HG1 THR 41 -3.067 7.967 2.205 289 1HG2 THR 41 1HG2 THR 41 -3.516 11.714 2.314 290 2HG2 THR 41 2HG2 THR 41 -4.926 10.669 2.487 291 3HG2 THR 41 3HG2 THR 41 -4.563 11.412 0.929 292 H LYS 42 H LYS 42 -0.930 10.789 -0.284 293 HA LYS 42 HA LYS 42 -1.618 13.451 -0.718 294 1HB LYS 42 2HB LYS 42 0.761 11.881 -0.834 295 2HB LYS 42 1HB LYS 42 0.698 12.862 -2.288 296 1HG LYS 42 2HG LYS 42 0.245 14.828 -0.697 297 2HG LYS 42 1HG LYS 42 0.830 13.745 0.567 298 1HD LYS 42 2HD LYS 42 2.316 14.685 -1.883 299 2HD LYS 42 1HD LYS 42 2.682 15.055 -0.198 300 1HE LYS 42 2HE LYS 42 3.382 12.838 0.237 301 2HE LYS 42 1HE LYS 42 2.705 12.247 -1.280 302 1HZ LYS 42 1HZ LYS 42 5.192 12.556 -1.218 303 2HZ LYS 42 2HZ LYS 42 4.910 14.223 -1.189 304 3HZ LYS 42 3HZ LYS 42 4.393 13.301 -2.506 305 H SER 43 H SER 43 -1.444 10.789 -2.979 306 HA SER 43 HA SER 43 -1.373 12.166 -5.398 307 1HB SER 43 2HB SER 43 -1.034 9.725 -5.114 308 2HB SER 43 1HB SER 43 -2.769 9.543 -4.843 309 HG SER 43 HG SER 43 -1.394 9.845 -7.176 310 H LYS 44 H LYS 44 -4.322 10.673 -4.003 311 HA LYS 44 HA LYS 44 -6.000 12.867 -4.247 312 1HB LYS 44 2HB LYS 44 -5.530 12.880 -6.626 313 2HB LYS 44 1HB LYS 44 -5.962 11.178 -6.751 314 1HG LYS 44 2HG LYS 44 -8.268 11.846 -5.949 315 2HG LYS 44 1HG LYS 44 -7.769 13.515 -6.220 316 1HD LYS 44 2HD LYS 44 -7.347 13.027 -8.568 317 2HD LYS 44 1HD LYS 44 -7.776 11.335 -8.307 318 1HE LYS 44 2HE LYS 44 -10.040 12.077 -7.597 319 2HE LYS 44 1HE LYS 44 -9.590 13.728 -8.018 320 1HZ LYS 44 1HZ LYS 44 -8.983 12.399 -10.268 321 2HZ LYS 44 2HZ LYS 44 -10.454 13.191 -9.995 322 3HZ LYS 44 3HZ LYS 44 -10.330 11.525 -9.732 323 H LEU 45 H LEU 45 -6.211 9.473 -5.354 324 HA LEU 45 HA LEU 45 -8.780 8.940 -4.597 325 1HB LEU 45 2HB LEU 45 -6.366 7.152 -4.591 326 2HB LEU 45 1HB LEU 45 -7.961 6.552 -4.183 327 HG LEU 45 HG LEU 45 -8.784 7.190 -6.404 328 1HD1 LEU 45 1HD1 LEU 45 -5.986 8.209 -6.741 329 2HD1 LEU 45 2HD1 LEU 45 -7.512 9.039 -7.049 330 3HD1 LEU 45 3HD1 LEU 45 -6.977 7.744 -8.122 331 1HD2 LEU 45 1HD2 LEU 45 -6.424 5.378 -6.138 332 2HD2 LEU 45 2HD2 LEU 45 -7.187 5.621 -7.710 333 3HD2 LEU 45 3HD2 LEU 45 -8.127 4.976 -6.365 334 HA PRO 46 HA PRO 46 -8.701 9.406 -0.196 335 1HB PRO 46 2HB PRO 46 -11.259 8.690 0.260 336 2HB PRO 46 1HB PRO 46 -10.836 10.242 -0.476 337 1HG PRO 46 2HG PRO 46 -11.758 7.712 -1.791 338 2HG PRO 46 1HG PRO 46 -12.265 9.383 -2.103 339 1HD PRO 46 2HD PRO 46 -10.454 8.071 -3.647 340 2HD PRO 46 1HD PRO 46 -10.421 9.829 -3.404 341 H ILE 47 H ILE 47 -8.209 8.068 1.460 342 HA ILE 47 HA ILE 47 -7.323 5.608 1.426 343 HB ILE 47 HB ILE 47 -7.495 6.792 3.520 344 1HG1 ILE 47 2HG1 ILE 47 -8.946 4.141 3.643 345 2HG1 ILE 47 1HG1 ILE 47 -7.198 4.355 3.610 346 1HG2 ILE 47 1HG2 ILE 47 -9.394 7.590 4.385 347 2HG2 ILE 47 2HG2 ILE 47 -10.243 6.061 4.157 348 3HG2 ILE 47 3HG2 ILE 47 -10.115 7.207 2.822 349 1HD1 ILE 47 1HD1 ILE 47 -7.230 4.397 5.817 350 2HD1 ILE 47 2HD1 ILE 47 -8.993 4.386 5.834 351 3HD1 ILE 47 3HD1 ILE 47 -8.121 5.916 5.738 352 H LEU 48 H LEU 48 -10.787 6.314 1.388 353 HA LEU 48 HA LEU 48 -11.935 3.840 1.676 354 1HB LEU 48 2HB LEU 48 -13.158 5.965 1.279 355 2HB LEU 48 1HB LEU 48 -12.643 5.928 -0.396 356 HG LEU 48 HG LEU 48 -13.871 3.664 -0.513 357 1HD1 LEU 48 1HD1 LEU 48 -15.352 4.825 1.833 358 2HD1 LEU 48 2HD1 LEU 48 -14.149 3.543 1.985 359 3HD1 LEU 48 3HD1 LEU 48 -15.612 3.272 1.038 360 1HD2 LEU 48 1HD2 LEU 48 -14.937 5.165 -1.807 361 2HD2 LEU 48 2HD2 LEU 48 -14.910 6.417 -0.566 362 3HD2 LEU 48 3HD2 LEU 48 -16.126 5.140 -0.504 363 H GLU 49 H GLU 49 -10.914 5.298 -1.390 364 HA GLU 49 HA GLU 49 -11.200 2.967 -2.964 365 1HB GLU 49 2HB GLU 49 -10.045 5.669 -3.292 366 2HB GLU 49 1HB GLU 49 -9.372 4.431 -4.339 367 1HG GLU 49 2HG GLU 49 -12.277 5.193 -4.127 368 2HG GLU 49 1HG GLU 49 -11.171 5.612 -5.437 369 H LEU 50 H LEU 50 -8.473 4.419 -1.269 370 HA LEU 50 HA LEU 50 -6.404 2.886 -2.232 371 1HB LEU 50 2HB LEU 50 -6.916 4.273 0.334 372 2HB LEU 50 1HB LEU 50 -5.592 3.124 0.304 373 HG LEU 50 HG LEU 50 -4.557 4.351 -1.554 374 1HD1 LEU 50 1HD1 LEU 50 -6.405 5.265 -2.702 375 2HD1 LEU 50 2HD1 LEU 50 -5.490 6.633 -2.070 376 3HD1 LEU 50 3HD1 LEU 50 -6.972 6.116 -1.266 377 1HD2 LEU 50 1HD2 LEU 50 -3.804 4.971 0.605 378 2HD2 LEU 50 2HD2 LEU 50 -5.248 5.936 0.911 379 3HD2 LEU 50 3HD2 LEU 50 -4.065 6.472 -0.284 380 H SER 51 H SER 51 -8.663 2.002 0.415 381 HA SER 51 HA SER 51 -7.437 -0.335 1.252 382 1HB SER 51 2HB SER 51 -9.440 0.440 2.370 383 2HB SER 51 1HB SER 51 -10.406 0.174 0.920 384 HG SER 51 HG SER 51 -10.154 -2.031 1.164 385 H HIS 52 H HIS 52 -9.887 -0.092 -1.335 386 HA HIS 52 HA HIS 52 -9.822 -2.734 -2.177 387 1HB HIS 52 2HB HIS 52 -11.419 -0.987 -2.996 388 2HB HIS 52 1HB HIS 52 -10.122 -0.309 -3.973 389 HD1 HIS 52 HD1 HIS 52 -11.523 -3.854 -3.583 390 HD2 HIS 52 HD2 HIS 52 -10.467 -1.089 -6.501 391 HE1 HIS 52 HE1 HIS 52 -11.949 -4.970 -5.808 392 H ILE 53 H ILE 53 -7.806 -0.011 -3.154 393 HA ILE 53 HA ILE 53 -6.234 -1.306 -5.086 394 HB ILE 53 HB ILE 53 -5.372 0.916 -3.237 395 1HG1 ILE 53 2HG1 ILE 53 -6.863 0.979 -5.866 396 2HG1 ILE 53 1HG1 ILE 53 -7.442 1.540 -4.300 397 1HG2 ILE 53 1HG2 ILE 53 -4.328 -0.129 -5.850 398 2HG2 ILE 53 2HG2 ILE 53 -3.463 0.129 -4.337 399 3HG2 ILE 53 3HG2 ILE 53 -3.985 1.511 -5.299 400 1HD1 ILE 53 1HD1 ILE 53 -5.037 2.902 -4.828 401 2HD1 ILE 53 2HD1 ILE 53 -6.675 3.551 -4.764 402 3HD1 ILE 53 3HD1 ILE 53 -6.015 2.970 -6.293 403 H TRP 54 H TRP 54 -5.645 -0.836 -1.596 404 HA TRP 54 HA TRP 54 -3.132 -2.074 -1.518 405 1HB TRP 54 2HB TRP 54 -3.925 -0.814 0.395 406 2HB TRP 54 1HB TRP 54 -5.262 -1.942 0.626 407 HD1 TRP 54 HD1 TRP 54 -4.596 -4.447 1.492 408 HE1 TRP 54 HE1 TRP 54 -2.589 -5.251 2.888 409 HE3 TRP 54 HE3 TRP 54 -1.523 -0.420 0.870 410 HZ2 TRP 54 HZ2 TRP 54 -0.041 -4.291 3.639 411 HZ3 TRP 54 HZ3 TRP 54 0.681 -0.441 1.955 412 HH2 TRP 54 HH2 TRP 54 1.408 -2.333 3.312 413 H GLU 55 H GLU 55 -6.358 -3.384 -0.878 414 HA GLU 55 HA GLU 55 -5.654 -6.006 -0.349 415 1HB GLU 55 2HB GLU 55 -8.085 -5.114 -1.894 416 2HB GLU 55 1HB GLU 55 -7.926 -6.572 -0.923 417 1HG GLU 55 2HG GLU 55 -7.635 -5.166 1.080 418 2HG GLU 55 1HG GLU 55 -7.899 -3.742 0.079 419 H LEU 56 H LEU 56 -6.550 -4.597 -3.515 420 HA LEU 56 HA LEU 56 -6.006 -6.925 -5.030 421 1HB LEU 56 2HB LEU 56 -6.307 -4.022 -5.659 422 2HB LEU 56 1HB LEU 56 -5.661 -5.084 -6.890 423 HG LEU 56 HG LEU 56 -8.086 -4.685 -7.126 424 1HD1 LEU 56 1HD1 LEU 56 -7.044 -6.737 -7.981 425 2HD1 LEU 56 2HD1 LEU 56 -8.720 -6.986 -7.493 426 3HD1 LEU 56 3HD1 LEU 56 -7.406 -7.542 -6.455 427 1HD2 LEU 56 1HD2 LEU 56 -8.392 -4.653 -4.555 428 2HD2 LEU 56 2HD2 LEU 56 -8.555 -6.400 -4.723 429 3HD2 LEU 56 3HD2 LEU 56 -9.669 -5.325 -5.568 430 H SER 57 H SER 57 -4.006 -4.304 -3.906 431 HA SER 57 HA SER 57 -1.721 -5.016 -5.498 432 1HB SER 57 2HB SER 57 -2.077 -3.107 -3.184 433 2HB SER 57 1HB SER 57 -0.585 -3.283 -4.102 434 HG SER 57 HG SER 57 -3.081 -2.272 -4.936 435 H ASP 58 H ASP 58 -2.928 -5.835 -2.351 436 HA ASP 58 HA ASP 58 -0.374 -7.042 -1.565 437 1HB ASP 58 2HB ASP 58 -1.618 -5.443 -0.038 438 2HB ASP 58 1HB ASP 58 -2.864 -6.677 0.112 439 H PHE 59 H PHE 59 -1.133 -8.645 -3.448 440 HA PHE 59 HA PHE 59 -3.168 -10.505 -2.815 441 1HB PHE 59 2HB PHE 59 -0.902 -10.516 -4.756 442 2HB PHE 59 1HB PHE 59 -1.750 -12.022 -4.433 443 HD1 PHE 59 HD1 PHE 59 -4.026 -12.349 -5.146 444 HD2 PHE 59 HD2 PHE 59 -2.014 -8.673 -5.887 445 HE1 PHE 59 HE1 PHE 59 -5.769 -11.727 -6.768 446 HE2 PHE 59 HE2 PHE 59 -3.757 -8.044 -7.506 447 HZ PHE 59 HZ PHE 59 -5.638 -9.570 -7.947 448 H ASP 60 H ASP 60 -0.339 -10.019 -1.198 449 HA ASP 60 HA ASP 60 0.068 -12.853 -0.565 450 1HB ASP 60 2HB ASP 60 2.052 -11.972 0.695 451 2HB ASP 60 1HB ASP 60 2.079 -11.628 -1.034 452 H LYS 61 H LYS 61 -0.849 -9.785 0.929 453 HA LYS 61 HA LYS 61 -2.119 -9.349 2.782 454 1HB LYS 61 2HB LYS 61 -2.422 -12.300 2.599 455 2HB LYS 61 1HB LYS 61 -2.801 -11.546 4.141 456 1HG LYS 61 2HG LYS 61 -4.723 -11.851 2.530 457 2HG LYS 61 1HG LYS 61 -4.514 -10.237 3.208 458 1HD LYS 61 2HD LYS 61 -3.215 -9.662 1.126 459 2HD LYS 61 1HD LYS 61 -3.771 -11.195 0.454 460 1HE LYS 61 2HE LYS 61 -6.088 -10.482 0.702 461 2HE LYS 61 1HE LYS 61 -5.557 -8.974 1.451 462 1HZ LYS 61 1HZ LYS 61 -4.245 -9.300 -1.013 463 2HZ LYS 61 2HZ LYS 61 -5.313 -8.079 -0.551 464 3HZ LYS 61 3HZ LYS 61 -5.905 -9.495 -1.261 465 H ASP 62 H ASP 62 0.504 -9.006 2.963 466 HA ASP 62 HA ASP 62 1.408 -10.242 5.474 467 1HB ASP 62 2HB ASP 62 3.587 -9.161 4.888 468 2HB ASP 62 1HB ASP 62 3.014 -10.271 3.640 469 H GLY 63 H GLY 63 -0.220 -7.572 4.362 470 1HA GLY 63 2HA GLY 63 -0.989 -5.721 5.531 471 2HA GLY 63 1HA GLY 63 0.014 -6.208 6.893 472 H ALA 64 H ALA 64 1.790 -6.232 4.084 473 HA ALA 64 HA ALA 64 2.588 -3.425 4.276 474 1HB ALA 64 1HB ALA 64 4.846 -3.840 4.692 475 2HB ALA 64 2HB ALA 64 4.701 -5.555 4.307 476 3HB ALA 64 3HB ALA 64 4.005 -4.924 5.800 477 H LEU 65 H LEU 65 3.628 -2.634 2.408 478 HA LEU 65 HA LEU 65 3.131 -4.287 0.070 479 1HB LEU 65 2HB LEU 65 3.025 -1.450 0.654 480 2HB LEU 65 1HB LEU 65 3.898 -1.790 -0.826 481 HG LEU 65 HG LEU 65 2.025 -2.833 -1.828 482 1HD1 LEU 65 1HD1 LEU 65 -0.084 -2.666 -0.028 483 2HD1 LEU 65 2HD1 LEU 65 1.261 -3.318 0.908 484 3HD1 LEU 65 3HD1 LEU 65 0.740 -4.128 -0.569 485 1HD2 LEU 65 1HD2 LEU 65 0.568 -1.052 -2.053 486 2HD2 LEU 65 2HD2 LEU 65 2.022 -0.263 -1.441 487 3HD2 LEU 65 3HD2 LEU 65 0.680 -0.609 -0.349 488 H THR 66 H THR 66 4.728 -5.329 -0.836 489 HA THR 66 HA THR 66 7.481 -4.730 -0.174 490 HB THR 66 HB THR 66 8.077 -6.650 -1.497 491 HG1 THR 66 HG1 THR 66 5.781 -7.602 -2.384 492 1HG2 THR 66 1HG2 THR 66 6.336 -6.756 0.674 493 2HG2 THR 66 2HG2 THR 66 7.337 -8.072 0.060 494 3HG2 THR 66 3HG2 THR 66 5.669 -7.906 -0.487 495 H LEU 67 H LEU 67 9.088 -4.005 -1.704 496 HA LEU 67 HA LEU 67 8.440 -1.934 -3.340 497 1HB LEU 67 2HB LEU 67 10.765 -3.196 -2.794 498 2HB LEU 67 1HB LEU 67 10.531 -3.715 -4.454 499 HG LEU 67 HG LEU 67 10.627 -0.839 -3.536 500 1HD1 LEU 67 1HD1 LEU 67 12.777 -2.178 -3.424 501 2HD1 LEU 67 2HD1 LEU 67 12.804 -0.718 -4.415 502 3HD1 LEU 67 3HD1 LEU 67 12.670 -2.301 -5.180 503 1HD2 LEU 67 1HD2 LEU 67 9.334 -1.739 -5.709 504 2HD2 LEU 67 2HD2 LEU 67 10.962 -1.589 -6.370 505 3HD2 LEU 67 3HD2 LEU 67 10.170 -0.187 -5.651 506 H ASP 68 H ASP 68 8.333 -5.361 -4.115 507 HA ASP 68 HA ASP 68 7.739 -5.257 -6.845 508 1HB ASP 68 2HB ASP 68 7.829 -7.190 -4.776 509 2HB ASP 68 1HB ASP 68 6.246 -7.327 -5.525 510 H GLU 69 H GLU 69 5.575 -5.473 -4.050 511 HA GLU 69 HA GLU 69 3.162 -5.179 -5.455 512 1HB GLU 69 2HB GLU 69 3.768 -4.336 -2.607 513 2HB GLU 69 1HB GLU 69 2.176 -4.683 -3.278 514 1HG GLU 69 2HG GLU 69 2.663 -6.981 -3.513 515 2HG GLU 69 1HG GLU 69 4.380 -6.721 -3.210 516 H PHE 70 H PHE 70 5.417 -2.862 -4.103 517 HA PHE 70 HA PHE 70 3.963 -0.485 -4.412 518 1HB PHE 70 2HB PHE 70 5.914 -0.307 -3.135 519 2HB PHE 70 1HB PHE 70 6.878 -1.186 -4.312 520 HD1 PHE 70 HD1 PHE 70 8.670 0.357 -4.428 521 HD2 PHE 70 HD2 PHE 70 4.675 1.647 -5.171 522 HE1 PHE 70 HE1 PHE 70 9.525 2.472 -5.337 523 HE2 PHE 70 HE2 PHE 70 5.531 3.770 -6.079 524 HZ PHE 70 HZ PHE 70 7.962 4.192 -6.142 525 H CYS 71 H CYS 71 6.388 -1.913 -6.597 526 HA CYS 71 HA CYS 71 6.111 -0.062 -8.672 527 1HB CYS 71 2HB CYS 71 7.456 -2.557 -8.222 528 2HB CYS 71 1HB CYS 71 6.754 -2.556 -9.834 529 HG CYS 71 HG CYS 71 8.270 0.314 -9.231 530 H ALA 72 H ALA 72 4.593 -3.276 -8.342 531 HA ALA 72 HA ALA 72 3.071 -3.079 -10.717 532 1HB ALA 72 1HB ALA 72 1.668 -4.893 -9.600 533 2HB ALA 72 2HB ALA 72 2.811 -4.784 -8.262 534 3HB ALA 72 3HB ALA 72 3.378 -5.237 -9.869 535 H ALA 73 H ALA 73 2.164 -2.494 -7.325 536 HA ALA 73 HA ALA 73 -0.508 -1.840 -7.776 537 1HB ALA 73 1HB ALA 73 0.409 -2.299 -5.557 538 2HB ALA 73 2HB ALA 73 -0.458 -0.764 -5.594 539 3HB ALA 73 3HB ALA 73 1.306 -0.781 -5.612 540 H PHE 74 H PHE 74 2.262 0.412 -7.381 541 HA PHE 74 HA PHE 74 0.893 2.773 -7.809 542 1HB PHE 74 2HB PHE 74 3.530 2.134 -7.497 543 2HB PHE 74 1HB PHE 74 3.501 2.637 -9.185 544 HD1 PHE 74 HD1 PHE 74 3.214 3.693 -5.731 545 HD2 PHE 74 HD2 PHE 74 2.827 4.920 -9.786 546 HE1 PHE 74 HE1 PHE 74 3.226 6.046 -5.014 547 HE2 PHE 74 HE2 PHE 74 2.842 7.277 -9.078 548 HZ PHE 74 HZ PHE 74 3.041 7.842 -6.689 549 H HIS 75 H HIS 75 2.305 0.574 -10.201 550 HA HIS 75 HA HIS 75 1.682 2.014 -12.514 551 1HB HIS 75 2HB HIS 75 2.856 -0.396 -11.939 552 2HB HIS 75 1HB HIS 75 1.362 -0.900 -12.702 553 HD1 HIS 75 HD1 HIS 75 0.940 0.284 -15.171 554 HD2 HIS 75 HD2 HIS 75 4.820 0.224 -13.685 555 HE1 HIS 75 HE1 HIS 75 2.463 0.693 -17.145 556 H LEU 76 H LEU 76 -0.131 -0.586 -10.900 557 HA LEU 76 HA LEU 76 -2.373 -0.550 -12.544 558 1HB LEU 76 2HB LEU 76 -1.710 -2.131 -10.583 559 2HB LEU 76 1HB LEU 76 -2.628 -1.008 -9.595 560 HG LEU 76 HG LEU 76 -3.656 -2.633 -11.910 561 1HD1 LEU 76 1HD1 LEU 76 -4.537 -4.068 -10.426 562 2HD1 LEU 76 2HD1 LEU 76 -4.903 -2.800 -9.257 563 3HD1 LEU 76 3HD1 LEU 76 -3.267 -3.451 -9.368 564 1HD2 LEU 76 1HD2 LEU 76 -5.093 -0.608 -10.202 565 2HD2 LEU 76 2HD2 LEU 76 -5.856 -1.692 -11.366 566 3HD2 LEU 76 3HD2 LEU 76 -4.725 -0.459 -11.920 567 H VAL 77 H VAL 77 -1.796 1.258 -9.538 568 HA VAL 77 HA VAL 77 -4.217 2.633 -9.440 569 HB VAL 77 HB VAL 77 -1.509 3.647 -8.565 570 1HG1 VAL 77 1HG1 VAL 77 -3.152 4.825 -6.866 571 2HG1 VAL 77 2HG1 VAL 77 -4.284 4.656 -8.208 572 3HG1 VAL 77 3HG1 VAL 77 -2.777 5.545 -8.432 573 1HG2 VAL 77 1HG2 VAL 77 -2.483 1.401 -7.653 574 2HG2 VAL 77 2HG2 VAL 77 -3.545 2.463 -6.729 575 3HG2 VAL 77 3HG2 VAL 77 -1.797 2.584 -6.539 576 H VAL 78 H VAL 78 -1.214 3.421 -11.105 577 HA VAL 78 HA VAL 78 -1.865 5.950 -12.062 578 HB VAL 78 HB VAL 78 -0.302 3.757 -13.429 579 1HG1 VAL 78 1HG1 VAL 78 -0.349 5.104 -15.222 580 2HG1 VAL 78 2HG1 VAL 78 0.727 6.155 -14.301 581 3HG1 VAL 78 3HG1 VAL 78 -1.011 6.453 -14.299 582 1HG2 VAL 78 1HG2 VAL 78 1.394 5.771 -12.496 583 2HG2 VAL 78 2HG2 VAL 78 1.202 4.144 -11.844 584 3HG2 VAL 78 3HG2 VAL 78 0.245 5.475 -11.193 585 H ALA 79 H ALA 79 -2.645 2.742 -13.315 586 HA ALA 79 HA ALA 79 -3.894 3.579 -15.685 587 1HB ALA 79 1HB ALA 79 -3.816 1.094 -14.102 588 2HB ALA 79 2HB ALA 79 -3.543 1.361 -15.823 589 3HB ALA 79 3HB ALA 79 -5.188 1.279 -15.196 590 H ARG 80 H ARG 80 -5.363 2.868 -12.478 591 HA ARG 80 HA ARG 80 -8.017 3.232 -13.133 592 1HB ARG 80 2HB ARG 80 -7.001 2.673 -10.843 593 2HB ARG 80 1HB ARG 80 -6.866 4.411 -10.610 594 1HG ARG 80 2HG ARG 80 -9.415 4.299 -11.345 595 2HG ARG 80 1HG ARG 80 -9.264 2.681 -10.673 596 1HD ARG 80 2HD ARG 80 -8.314 3.744 -8.598 597 2HD ARG 80 1HD ARG 80 -8.747 5.304 -9.289 598 HE ARG 80 HE ARG 80 -10.470 3.742 -7.813 599 1HH1 ARG 80 2HH1 ARG 80 -10.501 5.091 -11.003 600 2HH1 ARG 80 1HH1 ARG 80 -12.217 5.258 -11.027 601 1HH2 ARG 80 1HH2 ARG 80 -12.666 4.028 -7.841 602 2HH2 ARG 80 2HH2 ARG 80 -13.438 4.675 -9.250 603 H LYS 81 H LYS 81 -5.686 5.756 -12.205 604 HA LYS 81 HA LYS 81 -7.274 7.985 -12.239 605 1HB LYS 81 2HB LYS 81 -4.444 7.674 -13.253 606 2HB LYS 81 1HB LYS 81 -5.224 9.231 -12.996 607 1HG LYS 81 2HG LYS 81 -5.432 8.821 -10.654 608 2HG LYS 81 1HG LYS 81 -4.888 7.155 -10.845 609 1HD LYS 81 2HD LYS 81 -3.137 8.663 -9.955 610 2HD LYS 81 1HD LYS 81 -2.686 7.892 -11.475 611 1HE LYS 81 2HE LYS 81 -3.303 9.932 -12.686 612 2HE LYS 81 1HE LYS 81 -3.738 10.704 -11.160 613 1HZ LYS 81 1HZ LYS 81 -1.131 10.252 -12.318 614 2HZ LYS 81 2HZ LYS 81 -1.229 9.861 -10.675 615 3HZ LYS 81 3HZ LYS 81 -1.630 11.420 -11.198 616 H ASN 82 H ASN 82 -6.042 6.187 -14.990 617 HA ASN 82 HA ASN 82 -7.822 7.779 -16.705 618 1HB ASN 82 2HB ASN 82 -4.978 6.996 -17.243 619 2HB ASN 82 1HB ASN 82 -6.108 7.237 -18.574 620 1HD2 ASN 82 1HD2 ASN 82 -3.812 8.720 -16.841 621 2HD2 ASN 82 2HD2 ASN 82 -4.323 10.358 -17.015 622 H GLY 83 H GLY 83 -8.939 5.737 -15.676 623 1HA GLY 83 2HA GLY 83 -9.072 3.809 -17.874 624 2HA GLY 83 1HA GLY 83 -8.779 3.188 -16.256 625 H TYR 84 H TYR 84 -10.602 2.206 -15.653 626 HA TYR 84 HA TYR 84 -13.063 3.791 -15.651 627 1HB TYR 84 2HB TYR 84 -12.788 0.977 -16.706 628 2HB TYR 84 1HB TYR 84 -14.337 1.698 -16.279 629 HD1 TYR 84 HD1 TYR 84 -13.514 0.631 -19.008 630 HD2 TYR 84 HD2 TYR 84 -13.370 4.533 -17.326 631 HE1 TYR 84 HE1 TYR 84 -13.685 1.601 -21.262 632 HE2 TYR 84 HE2 TYR 84 -13.538 5.517 -19.574 633 HH TYR 84 HH TYR 84 -12.840 4.269 -22.189 634 H ASP 85 H ASP 85 -14.470 3.360 -13.955 635 HA ASP 85 HA ASP 85 -13.415 2.760 -11.522 636 1HB ASP 85 2HB ASP 85 -16.045 3.147 -12.590 637 2HB ASP 85 1HB ASP 85 -16.092 1.856 -11.396 638 H LEU 86 H LEU 86 -13.037 0.993 -10.305 639 HA LEU 86 HA LEU 86 -12.794 -1.525 -11.621 640 1HB LEU 86 2HB LEU 86 -12.410 -0.795 -8.721 641 2HB LEU 86 1HB LEU 86 -12.005 -2.353 -9.420 642 HG LEU 86 HG LEU 86 -10.721 0.307 -10.033 643 1HD1 LEU 86 1HD1 LEU 86 -9.974 -2.115 -8.478 644 2HD1 LEU 86 2HD1 LEU 86 -9.693 -0.410 -8.124 645 3HD1 LEU 86 3HD1 LEU 86 -8.707 -1.233 -9.332 646 1HD2 LEU 86 1HD2 LEU 86 -10.631 -2.299 -11.478 647 2HD2 LEU 86 2HD2 LEU 86 -9.161 -1.332 -11.368 648 3HD2 LEU 86 3HD2 LEU 86 -10.608 -0.656 -12.115 649 HA PRO 87 HA PRO 87 -17.045 -2.662 -10.604 650 1HB PRO 87 2HB PRO 87 -17.133 -4.745 -12.343 651 2HB PRO 87 1HB PRO 87 -17.379 -3.063 -12.828 652 1HG PRO 87 2HG PRO 87 -14.933 -4.766 -13.057 653 2HG PRO 87 1HG PRO 87 -15.609 -3.611 -14.220 654 1HD PRO 87 2HD PRO 87 -13.502 -3.026 -12.611 655 2HD PRO 87 1HD PRO 87 -14.660 -1.807 -13.172 656 H GLU 88 H GLU 88 -15.241 -3.393 -8.659 657 HA GLU 88 HA GLU 88 -15.075 -4.943 -6.978 658 1HB GLU 88 2HB GLU 88 -16.966 -6.562 -8.695 659 2HB GLU 88 1HB GLU 88 -16.497 -6.968 -7.052 660 1HG GLU 88 2HG GLU 88 -17.802 -4.356 -7.716 661 2HG GLU 88 1HG GLU 88 -18.736 -5.817 -7.393 662 H LYS 89 H LYS 89 -12.843 -4.963 -8.408 663 HA LYS 89 HA LYS 89 -12.306 -7.454 -9.702 664 1HB LYS 89 2HB LYS 89 -10.530 -5.243 -8.719 665 2HB LYS 89 1HB LYS 89 -9.854 -6.740 -9.342 666 1HG LYS 89 2HG LYS 89 -11.408 -6.233 -11.389 667 2HG LYS 89 1HG LYS 89 -11.321 -4.582 -10.769 668 1HD LYS 89 2HD LYS 89 -8.978 -4.500 -11.020 669 2HD LYS 89 1HD LYS 89 -8.862 -6.248 -11.237 670 1HE LYS 89 2HE LYS 89 -8.583 -5.211 -13.377 671 2HE LYS 89 1HE LYS 89 -10.158 -6.002 -13.349 672 1HZ LYS 89 1HZ LYS 89 -10.203 -3.257 -12.480 673 2HZ LYS 89 2HZ LYS 89 -11.219 -4.062 -13.566 674 3HZ LYS 89 3HZ LYS 89 -9.730 -3.451 -14.092 675 H LEU 90 H LEU 90 -11.863 -6.242 -6.451 676 HA LEU 90 HA LEU 90 -10.183 -8.070 -5.317 677 1HB LEU 90 2HB LEU 90 -11.909 -6.089 -4.448 678 2HB LEU 90 1HB LEU 90 -12.515 -7.526 -3.649 679 HG LEU 90 HG LEU 90 -9.627 -6.682 -3.503 680 1HD1 LEU 90 1HD1 LEU 90 -10.056 -5.527 -1.510 681 2HD1 LEU 90 2HD1 LEU 90 -11.707 -6.137 -1.409 682 3HD1 LEU 90 3HD1 LEU 90 -11.275 -4.955 -2.645 683 1HD2 LEU 90 1HD2 LEU 90 -10.482 -9.067 -2.943 684 2HD2 LEU 90 2HD2 LEU 90 -11.131 -8.304 -1.492 685 3HD2 LEU 90 3HD2 LEU 90 -9.398 -8.249 -1.817 686 HA PRO 91 HA PRO 91 -12.554 -11.811 -6.032 687 1HB PRO 91 2HB PRO 91 -10.627 -13.559 -5.393 688 2HB PRO 91 1HB PRO 91 -10.585 -12.634 -6.898 689 1HG PRO 91 2HG PRO 91 -9.101 -12.171 -4.344 690 2HG PRO 91 1HG PRO 91 -8.528 -12.021 -6.015 691 1HD PRO 91 2HD PRO 91 -9.320 -9.906 -4.443 692 2HD PRO 91 1HD PRO 91 -9.332 -9.888 -6.216 693 H GLU 92 H GLU 92 -13.934 -12.779 -4.737 694 HA GLU 92 HA GLU 92 -13.909 -12.515 -1.913 695 1HB GLU 92 2HB GLU 92 -15.914 -13.858 -1.936 696 2HB GLU 92 1HB GLU 92 -15.979 -12.714 -3.268 697 1HG GLU 92 2HG GLU 92 -15.119 -15.579 -3.564 698 2HG GLU 92 1HG GLU 92 -16.773 -15.018 -3.796 699 H SER 93 H SER 93 -11.487 -13.735 -2.578 700 HA SER 93 HA SER 93 -11.888 -16.492 -1.647 701 1HB SER 93 2HB SER 93 -9.602 -15.323 -3.243 702 2HB SER 93 1HB SER 93 -9.633 -16.965 -2.600 703 HG SER 93 HG SER 93 -11.904 -16.406 -3.949 704 H LEU 94 H LEU 94 -9.895 -13.613 -1.213 705 HA LEU 94 HA LEU 94 -8.901 -14.763 1.303 706 1HB LEU 94 2HB LEU 94 -7.786 -12.501 -0.361 707 2HB LEU 94 1HB LEU 94 -7.072 -13.128 1.112 708 HG LEU 94 HG LEU 94 -6.771 -15.332 -0.057 709 1HD1 LEU 94 1HD1 LEU 94 -7.448 -15.724 -2.155 710 2HD1 LEU 94 2HD1 LEU 94 -6.928 -14.136 -2.718 711 3HD1 LEU 94 3HD1 LEU 94 -8.494 -14.324 -1.938 712 1HD2 LEU 94 1HD2 LEU 94 -5.316 -13.439 -1.760 713 2HD2 LEU 94 2HD2 LEU 94 -4.714 -14.698 -0.680 714 3HD2 LEU 94 3HD2 LEU 94 -5.201 -13.134 -0.026 715 H MET 95 H MET 95 -11.499 -13.671 1.204 716 HA MET 95 HA MET 95 -11.296 -11.606 3.208 717 1HB MET 95 2HB MET 95 -12.194 -11.132 0.410 718 2HB MET 95 1HB MET 95 -13.023 -10.298 1.708 719 1HG MET 95 2HG MET 95 -10.068 -10.214 1.701 720 2HG MET 95 1HG MET 95 -10.915 -9.278 0.471 721 1HE MET 95 1HE MET 95 -12.334 -7.422 0.760 722 2HE MET 95 2HE MET 95 -12.661 -6.513 2.234 723 3HE MET 95 3HE MET 95 -13.530 -8.016 1.912 724 HA PRO 96 HA PRO 96 -15.009 -14.596 3.261 725 1HB PRO 96 2HB PRO 96 -14.416 -15.750 5.663 726 2HB PRO 96 1HB PRO 96 -13.881 -16.391 4.105 727 1HG PRO 96 2HG PRO 96 -12.386 -14.696 6.071 728 2HG PRO 96 1HG PRO 96 -11.828 -16.115 5.165 729 1HD PRO 96 2HD PRO 96 -11.203 -13.617 4.398 730 2HD PRO 96 1HD PRO 96 -11.512 -14.906 3.217 731 H LYS 97 HN LYS 97 -16.480 -12.967 3.628 732 HA LYS 97 HA LYS 97 -17.032 -12.400 6.440 733 1HB LYS 97 2HB LYS 97 -16.329 -10.381 4.393 734 2HB LYS 97 1HB LYS 97 -17.701 -9.994 5.422 735 1HG LYS 97 2HG LYS 97 -15.010 -10.814 6.483 736 2HG LYS 97 1HG LYS 97 -15.494 -9.136 6.221 737 1HD LYS 97 2HD LYS 97 -17.277 -9.335 7.811 738 2HD LYS 97 1HD LYS 97 -17.014 -11.074 7.965 739 1HE LYS 97 2HE LYS 97 -16.074 -9.783 9.851 740 2HE LYS 97 1HE LYS 97 -14.853 -10.698 8.966 741 1HZ LYS 97 1HZ LYS 97 -15.398 -7.867 8.330 742 2HZ LYS 97 2HZ LYS 97 -14.016 -8.781 7.989 743 3HZ LYS 97 3HZ LYS 97 -14.336 -8.292 9.576 Start of MODEL 26 1 1H TRP 6 1H TRP 6 -1.443 -7.632 -15.381 2 2H TRP 6 2H TRP 6 -0.274 -7.916 -16.573 3 3H TRP 6 3H TRP 6 -1.698 -7.088 -16.965 4 HA TRP 6 HA TRP 6 -0.766 -5.169 -16.495 5 1HB TRP 6 2HB TRP 6 -0.225 -6.467 -13.815 6 2HB TRP 6 1HB TRP 6 -0.004 -4.751 -14.141 7 HD1 TRP 6 HD1 TRP 6 -2.874 -7.367 -14.255 8 HE1 TRP 6 HE1 TRP 6 -5.069 -6.167 -13.645 9 HE3 TRP 6 HE3 TRP 6 -1.093 -2.594 -13.828 10 HZ2 TRP 6 HZ2 TRP 6 -5.928 -3.543 -13.067 11 HZ3 TRP 6 HZ3 TRP 6 -2.667 -0.800 -13.262 12 HH2 TRP 6 HH2 TRP 6 -5.033 -1.263 -12.883 13 H LYS 7 H LYS 7 1.291 -4.008 -16.349 14 HA LYS 7 HA LYS 7 3.745 -5.464 -16.055 15 1HB LYS 7 2HB LYS 7 2.950 -6.246 -18.271 16 2HB LYS 7 1HB LYS 7 2.948 -4.582 -18.835 17 1HG LYS 7 2HG LYS 7 5.367 -4.469 -18.498 18 2HG LYS 7 1HG LYS 7 5.361 -6.146 -17.941 19 1HD LYS 7 2HD LYS 7 4.312 -6.752 -20.153 20 2HD LYS 7 1HD LYS 7 4.659 -5.104 -20.677 21 1HE LYS 7 2HE LYS 7 7.037 -5.470 -20.291 22 2HE LYS 7 1HE LYS 7 6.703 -7.106 -19.720 23 1HZ LYS 7 1HZ LYS 7 7.423 -6.704 -22.164 24 2HZ LYS 7 2HZ LYS 7 5.796 -6.304 -22.399 25 3HZ LYS 7 3HZ LYS 7 6.215 -7.839 -21.825 26 H ILE 8 H ILE 8 5.668 -4.057 -16.465 27 HA ILE 8 HA ILE 8 5.006 -1.190 -16.515 28 HB ILE 8 HB ILE 8 6.828 -2.517 -14.508 29 1HG1 ILE 8 2HG1 ILE 8 4.236 -0.999 -14.158 30 2HG1 ILE 8 1HG1 ILE 8 4.422 -2.742 -14.010 31 1HG2 ILE 8 1HG2 ILE 8 6.132 0.402 -14.644 32 2HG2 ILE 8 2HG2 ILE 8 7.560 -0.270 -15.436 33 3HG2 ILE 8 3HG2 ILE 8 7.386 -0.386 -13.685 34 1HD1 ILE 8 1HD1 ILE 8 4.670 -2.339 -11.836 35 2HD1 ILE 8 2HD1 ILE 8 4.976 -0.623 -12.103 36 3HD1 ILE 8 3HD1 ILE 8 6.292 -1.788 -12.256 37 H THR 9 H THR 9 6.226 -0.039 -17.853 38 HA THR 9 HA THR 9 8.366 -1.255 -19.320 39 HB THR 9 HB THR 9 7.756 1.695 -19.355 40 HG1 THR 9 HG1 THR 9 6.453 0.385 -21.297 41 1HG2 THR 9 1HG2 THR 9 8.197 0.610 -21.915 42 2HG2 THR 9 2HG2 THR 9 9.414 -0.106 -20.861 43 3HG2 THR 9 3HG2 THR 9 9.281 1.647 -20.983 44 H ASP 10 H ASP 10 10.526 -0.795 -19.314 45 HA ASP 10 HA ASP 10 11.858 -0.418 -16.967 46 1HB ASP 10 2HB ASP 10 12.779 -1.148 -19.229 47 2HB ASP 10 1HB ASP 10 12.948 0.564 -19.603 48 H GLU 11 H GLU 11 10.991 2.137 -19.319 49 HA GLU 11 HA GLU 11 12.244 4.277 -18.062 50 1HB GLU 11 2HB GLU 11 10.179 3.918 -20.064 51 2HB GLU 11 1HB GLU 11 9.865 5.321 -19.058 52 1HG GLU 11 2HG GLU 11 12.135 6.153 -19.552 53 2HG GLU 11 1HG GLU 11 12.379 4.772 -20.618 54 H GLN 12 H GLN 12 8.747 3.510 -17.772 55 HA GLN 12 HA GLN 12 8.191 5.193 -15.669 56 1HB GLN 12 2HB GLN 12 6.989 2.766 -16.804 57 2HB GLN 12 1HB GLN 12 6.654 2.988 -15.096 58 1HG GLN 12 2HG GLN 12 4.883 3.999 -16.284 59 2HG GLN 12 1HG GLN 12 5.874 5.301 -15.629 60 1HE2 GLN 12 1HE2 GLN 12 4.135 4.544 -18.171 61 2HE2 GLN 12 2HE2 GLN 12 5.003 5.351 -19.428 62 H ARG 13 H ARG 13 9.580 1.962 -15.659 63 HA ARG 13 HA ARG 13 9.550 1.222 -13.029 64 1HB ARG 13 2HB ARG 13 10.571 -0.017 -14.983 65 2HB ARG 13 1HB ARG 13 11.977 1.025 -14.830 66 1HG ARG 13 2HG ARG 13 12.576 -0.931 -13.741 67 2HG ARG 13 1HG ARG 13 12.133 0.163 -12.435 68 1HD ARG 13 2HD ARG 13 11.239 -2.124 -12.153 69 2HD ARG 13 1HD ARG 13 9.995 -0.879 -12.198 70 HE ARG 13 HE ARG 13 10.214 -1.782 -14.772 71 1HH1 ARG 13 2HH1 ARG 13 9.585 -3.298 -11.728 72 2HH1 ARG 13 1HH1 ARG 13 8.624 -4.546 -12.417 73 1HH2 ARG 13 1HH2 ARG 13 8.894 -3.397 -15.658 74 2HH2 ARG 13 2HH2 ARG 13 8.231 -4.591 -14.598 75 H GLN 14 H GLN 14 12.095 3.162 -14.586 76 HA GLN 14 HA GLN 14 13.392 3.798 -12.137 77 1HB GLN 14 2HB GLN 14 14.800 5.227 -13.476 78 2HB GLN 14 1HB GLN 14 14.540 3.717 -14.332 79 1HG GLN 14 2HG GLN 14 12.891 4.782 -15.755 80 2HG GLN 14 1HG GLN 14 13.077 6.290 -14.866 81 1HE2 GLN 14 1HE2 GLN 14 16.040 4.816 -15.051 82 2HE2 GLN 14 2HE2 GLN 14 16.659 5.625 -16.445 83 H TYR 15 H TYR 15 11.070 5.465 -14.207 84 HA TYR 15 HA TYR 15 11.126 8.008 -13.162 85 1HB TYR 15 2HB TYR 15 9.664 7.234 -15.035 86 2HB TYR 15 1HB TYR 15 8.605 6.478 -13.849 87 HD1 TYR 15 HD1 TYR 15 7.037 7.775 -12.590 88 HD2 TYR 15 HD2 TYR 15 9.872 9.703 -15.115 89 HE1 TYR 15 HE1 TYR 15 5.807 9.892 -12.350 90 HE2 TYR 15 HE2 TYR 15 8.652 11.823 -14.878 91 HH TYR 15 HH TYR 15 7.072 12.851 -13.150 92 H TYR 16 H TYR 16 9.230 5.260 -11.941 93 HA TYR 16 HA TYR 16 8.191 6.637 -9.681 94 1HB TYR 16 2HB TYR 16 8.589 3.660 -10.037 95 2HB TYR 16 1HB TYR 16 7.495 4.440 -8.900 96 HD1 TYR 16 HD1 TYR 16 6.154 6.446 -10.453 97 HD2 TYR 16 HD2 TYR 16 7.335 2.525 -11.601 98 HE1 TYR 16 HE1 TYR 16 4.383 6.418 -12.153 99 HE2 TYR 16 HE2 TYR 16 5.565 2.486 -13.308 100 HH TYR 16 HH TYR 16 3.675 5.342 -14.049 101 H VAL 17 H VAL 17 10.737 4.184 -9.945 102 HA VAL 17 HA VAL 17 11.543 3.998 -7.348 103 HB VAL 17 HB VAL 17 13.360 4.019 -9.758 104 1HG1 VAL 17 1HG1 VAL 17 14.285 4.136 -7.306 105 2HG1 VAL 17 2HG1 VAL 17 15.004 3.038 -8.484 106 3HG1 VAL 17 3HG1 VAL 17 13.862 2.425 -7.288 107 1HG2 VAL 17 1HG2 VAL 17 12.750 1.413 -8.783 108 2HG2 VAL 17 2HG2 VAL 17 12.398 2.110 -10.363 109 3HG2 VAL 17 3HG2 VAL 17 11.240 2.284 -9.044 110 H ASN 18 H ASN 18 12.670 6.434 -9.708 111 HA ASN 18 HA ASN 18 14.640 7.683 -8.344 112 1HB ASN 18 2HB ASN 18 12.596 8.547 -10.267 113 2HB ASN 18 1HB ASN 18 13.294 9.840 -9.312 114 1HD2 ASN 18 1HD2 ASN 18 13.543 8.427 -12.148 115 2HD2 ASN 18 2HD2 ASN 18 15.233 8.598 -12.455 116 H GLN 19 H GLN 19 11.167 8.243 -7.818 117 HA GLN 19 HA GLN 19 11.872 9.846 -5.455 118 1HB GLN 19 2HB GLN 19 9.412 9.663 -7.151 119 2HB GLN 19 1HB GLN 19 9.308 10.287 -5.514 120 1HG GLN 19 2HG GLN 19 10.886 12.039 -6.036 121 2HG GLN 19 1HG GLN 19 11.121 11.382 -7.653 122 1HE2 GLN 19 1HE2 GLN 19 9.336 13.485 -5.731 123 2HE2 GLN 19 2HE2 GLN 19 8.112 13.890 -6.878 124 H PHE 20 H PHE 20 9.751 7.165 -6.417 125 HA PHE 20 HA PHE 20 8.569 6.566 -4.041 126 1HB PHE 20 2HB PHE 20 9.370 4.989 -6.389 127 2HB PHE 20 1HB PHE 20 8.988 4.073 -4.951 128 HD1 PHE 20 HD1 PHE 20 6.965 3.087 -5.802 129 HD2 PHE 20 HD2 PHE 20 7.494 7.310 -5.726 130 HE1 PHE 20 HE1 PHE 20 4.560 3.397 -6.203 131 HE2 PHE 20 HE2 PHE 20 5.092 7.626 -6.129 132 HZ PHE 20 HZ PHE 20 3.629 5.672 -6.354 133 H LYS 21 H LYS 21 11.900 5.886 -4.978 134 HA LYS 21 HA LYS 21 12.643 4.091 -3.026 135 1HB LYS 21 2HB LYS 21 14.130 6.373 -4.294 136 2HB LYS 21 1HB LYS 21 14.894 5.356 -3.076 137 1HG LYS 21 2HG LYS 21 14.367 3.382 -4.493 138 2HG LYS 21 1HG LYS 21 13.776 4.491 -5.730 139 1HD LYS 21 2HD LYS 21 16.069 3.826 -6.198 140 2HD LYS 21 1HD LYS 21 15.983 5.551 -5.830 141 1HE LYS 21 2HE LYS 21 16.717 5.101 -3.544 142 2HE LYS 21 1HE LYS 21 16.797 3.377 -3.902 143 1HZ LYS 21 1HZ LYS 21 18.305 4.551 -5.852 144 2HZ LYS 21 2HZ LYS 21 18.892 3.756 -4.481 145 3HZ LYS 21 3HZ LYS 21 18.694 5.435 -4.461 146 H THR 22 H THR 22 11.903 7.489 -2.679 147 HA THR 22 HA THR 22 13.074 8.094 -0.260 148 HB THR 22 HB THR 22 11.787 9.735 -1.581 149 HG1 THR 22 HG1 THR 22 10.488 9.788 0.889 150 1HG2 THR 22 1HG2 THR 22 9.228 8.907 -0.353 151 2HG2 THR 22 2HG2 THR 22 9.810 7.929 -1.700 152 3HG2 THR 22 3HG2 THR 22 9.547 9.659 -1.916 153 H ILE 23 H ILE 23 10.325 6.024 -0.908 154 HA ILE 23 HA ILE 23 9.876 5.713 1.976 155 HB ILE 23 HB ILE 23 8.248 4.409 -0.208 156 1HG1 ILE 23 2HG1 ILE 23 6.562 6.276 0.640 157 2HG1 ILE 23 1HG1 ILE 23 8.050 7.143 1.002 158 1HG2 ILE 23 1HG2 ILE 23 8.157 3.392 2.023 159 2HG2 ILE 23 2HG2 ILE 23 6.610 4.110 1.570 160 3HG2 ILE 23 3HG2 ILE 23 7.673 4.943 2.705 161 1HD1 ILE 23 1HD1 ILE 23 8.686 6.635 -1.436 162 2HD1 ILE 23 2HD1 ILE 23 7.478 7.880 -1.115 163 3HD1 ILE 23 3HD1 ILE 23 6.971 6.276 -1.647 164 H GLN 24 H GLN 24 10.433 3.691 -0.925 165 HA GLN 24 HA GLN 24 11.342 1.550 0.882 166 1HB GLN 24 2HB GLN 24 9.425 1.290 -0.931 167 2HB GLN 24 1HB GLN 24 10.796 1.003 -1.994 168 1HG GLN 24 2HG GLN 24 10.022 -1.101 -1.201 169 2HG GLN 24 1HG GLN 24 11.565 -0.760 -0.416 170 1HE2 GLN 24 1HE2 GLN 24 11.636 -0.513 1.765 171 2HE2 GLN 24 2HE2 GLN 24 10.272 -0.732 2.802 172 HA PRO 25 HA PRO 25 15.144 3.236 -1.345 173 1HB PRO 25 2HB PRO 25 16.700 3.078 0.931 174 2HB PRO 25 1HB PRO 25 15.864 4.534 0.384 175 1HG PRO 25 2HG PRO 25 15.056 2.546 2.463 176 2HG PRO 25 1HG PRO 25 14.889 4.313 2.472 177 1HD PRO 25 2HD PRO 25 12.807 2.692 1.953 178 2HD PRO 25 1HD PRO 25 12.992 4.263 1.143 179 H ASP 26 H ASP 26 14.911 0.708 1.151 180 HA ASP 26 HA ASP 26 17.050 -0.794 -0.065 181 1HB ASP 26 2HB ASP 26 16.821 -0.610 2.409 182 2HB ASP 26 1HB ASP 26 15.325 -1.535 2.303 183 H LEU 27 H LEU 27 16.801 -2.309 -1.469 184 HA LEU 27 HA LEU 27 14.516 -2.958 -2.838 185 1HB LEU 27 2HB LEU 27 17.086 -3.575 -3.135 186 2HB LEU 27 1HB LEU 27 16.543 -5.099 -2.459 187 HG LEU 27 HG LEU 27 14.818 -5.193 -4.295 188 1HD1 LEU 27 1HD1 LEU 27 16.501 -3.018 -5.531 189 2HD1 LEU 27 2HD1 LEU 27 14.939 -2.731 -4.765 190 3HD1 LEU 27 3HD1 LEU 27 15.045 -3.760 -6.193 191 1HD2 LEU 27 1HD2 LEU 27 16.601 -5.697 -6.067 192 2HD2 LEU 27 2HD2 LEU 27 16.672 -6.599 -4.553 193 3HD2 LEU 27 3HD2 LEU 27 17.773 -5.248 -4.829 194 H ASN 28 H ASN 28 15.714 -4.342 0.150 195 HA ASN 28 HA ASN 28 13.604 -6.373 0.150 196 1HB ASN 28 2HB ASN 28 15.959 -6.986 0.751 197 2HB ASN 28 1HB ASN 28 15.832 -5.928 2.147 198 1HD2 ASN 28 1HD2 ASN 28 12.853 -7.047 1.991 199 2HD2 ASN 28 2HD2 ASN 28 12.993 -8.480 2.933 200 H GLY 29 H GLY 29 13.128 -3.470 0.483 201 1HA GLY 29 2HA GLY 29 12.187 -3.387 3.262 202 2HA GLY 29 1HA GLY 29 12.305 -2.007 2.178 203 H PHE 30 H PHE 30 10.088 -3.496 3.797 204 HA PHE 30 HA PHE 30 8.153 -3.637 1.571 205 1HB PHE 30 2HB PHE 30 7.739 -4.796 4.325 206 2HB PHE 30 1HB PHE 30 6.877 -5.179 2.836 207 HD1 PHE 30 HD1 PHE 30 9.456 -6.157 5.024 208 HD2 PHE 30 HD2 PHE 30 8.310 -6.196 0.934 209 HE1 PHE 30 HE1 PHE 30 11.026 -8.007 4.607 210 HE2 PHE 30 HE2 PHE 30 9.870 -8.046 0.506 211 HZ PHE 30 HZ PHE 30 11.230 -8.957 2.345 212 H ILE 31 H ILE 31 6.583 -2.109 1.535 213 HA ILE 31 HA ILE 31 6.514 -0.145 3.660 214 HB ILE 31 HB ILE 31 5.349 -0.302 0.916 215 1HG1 ILE 31 2HG1 ILE 31 6.762 1.970 2.300 216 2HG1 ILE 31 1HG1 ILE 31 7.642 0.649 1.542 217 1HG2 ILE 31 1HG2 ILE 31 4.355 2.048 1.654 218 2HG2 ILE 31 2HG2 ILE 31 4.238 1.215 3.205 219 3HG2 ILE 31 3HG2 ILE 31 3.431 0.552 1.786 220 1HD1 ILE 31 1HD1 ILE 31 6.969 1.260 -0.588 221 2HD1 ILE 31 2HD1 ILE 31 7.253 2.804 0.211 222 3HD1 ILE 31 3HD1 ILE 31 5.606 2.205 0.011 223 HA PRO 32 HA PRO 32 3.063 -2.124 5.662 224 1HB PRO 32 2HB PRO 32 2.669 -0.218 7.549 225 2HB PRO 32 1HB PRO 32 3.987 -1.393 7.645 226 1HG PRO 32 2HG PRO 32 4.045 1.447 6.702 227 2HG PRO 32 1HG PRO 32 5.197 0.593 7.745 228 1HD PRO 32 2HD PRO 32 5.644 1.007 5.103 229 2HD PRO 32 1HD PRO 32 6.247 -0.427 5.958 230 H GLY 33 H GLY 33 0.819 -1.864 5.599 231 1HA GLY 33 2HA GLY 33 -0.345 -0.399 3.609 232 2HA GLY 33 1HA GLY 33 -1.211 -0.892 5.054 233 H SER 34 H SER 34 0.431 0.744 6.827 234 HA SER 34 HA SER 34 -1.092 3.063 6.927 235 1HB SER 34 2HB SER 34 0.187 2.239 8.847 236 2HB SER 34 1HB SER 34 1.698 2.602 8.015 237 HG SER 34 HG SER 34 0.665 4.190 9.613 238 H ALA 35 H ALA 35 2.197 2.620 5.596 239 HA ALA 35 HA ALA 35 2.576 5.289 4.811 240 1HB ALA 35 1HB ALA 35 3.842 2.707 4.252 241 2HB ALA 35 2HB ALA 35 4.568 4.269 4.624 242 3HB ALA 35 3HB ALA 35 4.034 3.912 2.980 243 H ALA 36 H ALA 36 1.436 2.490 2.902 244 HA ALA 36 HA ALA 36 0.973 3.864 0.516 245 1HB ALA 36 1HB ALA 36 -0.957 2.027 0.362 246 2HB ALA 36 2HB ALA 36 -0.043 1.348 1.708 247 3HB ALA 36 3HB ALA 36 0.749 1.632 0.159 248 H LYS 37 H LYS 37 -1.290 3.216 3.199 249 HA LYS 37 HA LYS 37 -3.504 4.561 2.176 250 1HB LYS 37 2HB LYS 37 -2.740 3.386 4.639 251 2HB LYS 37 1HB LYS 37 -3.327 5.001 4.999 252 1HG LYS 37 2HG LYS 37 -5.312 3.948 5.083 253 2HG LYS 37 1HG LYS 37 -5.262 4.188 3.337 254 1HD LYS 37 2HD LYS 37 -4.215 1.716 4.699 255 2HD LYS 37 1HD LYS 37 -5.866 1.864 4.092 256 1HE LYS 37 2HE LYS 37 -5.002 2.261 1.841 257 2HE LYS 37 1HE LYS 37 -3.351 2.137 2.449 258 1HZ LYS 37 1HZ LYS 37 -5.348 -0.048 2.639 259 2HZ LYS 37 2HZ LYS 37 -3.694 -0.140 2.986 260 3HZ LYS 37 3HZ LYS 37 -4.211 0.085 1.391 261 H GLU 38 H GLU 38 -0.930 5.781 4.309 262 HA GLU 38 HA GLU 38 -1.822 8.427 4.495 263 1HB GLU 38 2HB GLU 38 0.460 6.903 5.268 264 2HB GLU 38 1HB GLU 38 1.030 8.377 4.501 265 1HG GLU 38 2HG GLU 38 -1.102 8.567 6.567 266 2HG GLU 38 1HG GLU 38 0.564 8.285 7.075 267 H PHE 39 H PHE 39 0.560 7.006 2.263 268 HA PHE 39 HA PHE 39 1.133 9.327 0.807 269 1HB PHE 39 2HB PHE 39 1.957 6.693 0.793 270 2HB PHE 39 1HB PHE 39 1.174 6.874 -0.765 271 HD1 PHE 39 HD1 PHE 39 2.448 7.597 -2.539 272 HD2 PHE 39 HD2 PHE 39 3.590 8.696 1.411 273 HE1 PHE 39 HE1 PHE 39 4.468 8.687 -3.428 274 HE2 PHE 39 HE2 PHE 39 5.609 9.791 0.528 275 HZ PHE 39 HZ PHE 39 6.049 9.785 -1.897 276 H PHE 40 H PHE 40 -1.056 6.644 -0.023 277 HA PHE 40 HA PHE 40 -2.094 7.867 -2.342 278 1HB PHE 40 2HB PHE 40 -3.210 5.669 -0.599 279 2HB PHE 40 1HB PHE 40 -3.923 6.165 -2.127 280 HD1 PHE 40 HD1 PHE 40 -2.298 6.165 -4.172 281 HD2 PHE 40 HD2 PHE 40 -1.675 3.951 -0.596 282 HE1 PHE 40 HE1 PHE 40 -0.796 4.639 -5.382 283 HE2 PHE 40 HE2 PHE 40 -0.171 2.420 -1.798 284 HZ PHE 40 HZ PHE 40 0.269 2.762 -4.196 285 H THR 41 H THR 41 -3.570 7.489 0.894 286 HA THR 41 HA THR 41 -5.949 8.765 0.490 287 HB THR 41 HB THR 41 -4.207 9.049 2.948 288 HG1 THR 41 HG1 THR 41 -4.718 7.001 3.093 289 1HG2 THR 41 1HG2 THR 41 -6.165 9.704 4.148 290 2HG2 THR 41 2HG2 THR 41 -7.196 9.405 2.748 291 3HG2 THR 41 3HG2 THR 41 -6.054 10.749 2.731 292 H LYS 42 H LYS 42 -2.876 10.399 1.387 293 HA LYS 42 HA LYS 42 -3.857 12.984 1.424 294 1HB LYS 42 2HB LYS 42 -1.176 11.827 0.869 295 2HB LYS 42 1HB LYS 42 -1.437 13.508 0.417 296 1HG LYS 42 2HG LYS 42 -2.440 13.616 2.869 297 2HG LYS 42 1HG LYS 42 -1.342 12.254 3.101 298 1HD LYS 42 2HD LYS 42 -0.435 14.821 1.838 299 2HD LYS 42 1HD LYS 42 -0.456 14.610 3.589 300 1HE LYS 42 2HE LYS 42 1.076 12.759 3.433 301 2HE LYS 42 1HE LYS 42 0.994 12.790 1.669 302 1HZ LYS 42 1HZ LYS 42 2.995 13.879 2.695 303 2HZ LYS 42 2HZ LYS 42 1.963 15.088 3.273 304 3HZ LYS 42 3HZ LYS 42 2.127 14.845 1.608 305 H SER 43 H SER 43 -3.218 10.932 -1.327 306 HA SER 43 HA SER 43 -3.107 12.826 -3.361 307 1HB SER 43 2HB SER 43 -2.764 10.439 -3.798 308 2HB SER 43 1HB SER 43 -4.459 10.113 -3.425 309 HG SER 43 HG SER 43 -4.064 12.065 -5.323 310 H LYS 44 H LYS 44 -5.916 11.344 -1.821 311 HA LYS 44 HA LYS 44 -7.664 13.166 -1.387 312 1HB LYS 44 2HB LYS 44 -7.102 13.478 -4.180 313 2HB LYS 44 1HB LYS 44 -8.782 13.010 -3.976 314 1HG LYS 44 2HG LYS 44 -8.843 14.846 -2.168 315 2HG LYS 44 1HG LYS 44 -7.374 15.435 -2.952 316 1HD LYS 44 2HD LYS 44 -9.225 16.582 -3.923 317 2HD LYS 44 1HD LYS 44 -8.620 15.421 -5.107 318 1HE LYS 44 2HE LYS 44 -10.388 13.880 -4.586 319 2HE LYS 44 1HE LYS 44 -10.946 14.901 -3.263 320 1HZ LYS 44 1HZ LYS 44 -12.389 15.369 -4.997 321 2HZ LYS 44 2HZ LYS 44 -11.170 15.369 -6.169 322 3HZ LYS 44 3HZ LYS 44 -11.286 16.650 -5.071 323 H LEU 45 H LEU 45 -7.424 10.434 -3.600 324 HA LEU 45 HA LEU 45 -9.976 9.471 -3.591 325 1HB LEU 45 2HB LEU 45 -7.430 7.865 -3.413 326 2HB LEU 45 1HB LEU 45 -8.992 7.213 -3.870 327 HG LEU 45 HG LEU 45 -8.675 9.319 -5.622 328 1HD1 LEU 45 1HD1 LEU 45 -6.399 9.731 -5.074 329 2HD1 LEU 45 2HD1 LEU 45 -6.418 8.880 -6.618 330 3HD1 LEU 45 3HD1 LEU 45 -6.007 8.013 -5.139 331 1HD2 LEU 45 1HD2 LEU 45 -9.328 6.768 -5.822 332 2HD2 LEU 45 2HD2 LEU 45 -7.673 6.638 -6.417 333 3HD2 LEU 45 3HD2 LEU 45 -8.820 7.707 -7.226 334 HA PRO 46 HA PRO 46 -11.031 8.630 0.621 335 1HB PRO 46 2HB PRO 46 -12.996 6.771 0.086 336 2HB PRO 46 1HB PRO 46 -13.235 8.521 0.048 337 1HG PRO 46 2HG PRO 46 -12.721 6.626 -2.208 338 2HG PRO 46 1HG PRO 46 -13.840 8.001 -2.133 339 1HD PRO 46 2HD PRO 46 -11.491 8.188 -3.403 340 2HD PRO 46 1HD PRO 46 -12.144 9.555 -2.478 341 H ILE 47 H ILE 47 -10.309 7.226 2.117 342 HA ILE 47 HA ILE 47 -8.519 5.217 1.623 343 HB ILE 47 HB ILE 47 -10.461 5.215 3.942 344 1HG1 ILE 47 2HG1 ILE 47 -7.779 6.593 3.677 345 2HG1 ILE 47 1HG1 ILE 47 -9.342 7.403 3.663 346 1HG2 ILE 47 1HG2 ILE 47 -7.862 4.389 4.678 347 2HG2 ILE 47 2HG2 ILE 47 -8.301 3.496 3.221 348 3HG2 ILE 47 3HG2 ILE 47 -9.343 3.431 4.643 349 1HD1 ILE 47 1HD1 ILE 47 -8.450 5.712 5.968 350 2HD1 ILE 47 2HD1 ILE 47 -9.726 6.930 5.921 351 3HD1 ILE 47 3HD1 ILE 47 -8.033 7.420 5.834 352 H LEU 48 H LEU 48 -12.031 4.979 1.763 353 HA LEU 48 HA LEU 48 -12.460 2.277 1.884 354 1HB LEU 48 2HB LEU 48 -14.012 4.456 1.375 355 2HB LEU 48 1HB LEU 48 -14.055 3.647 -0.179 356 HG LEU 48 HG LEU 48 -15.949 2.916 1.073 357 1HD1 LEU 48 1HD1 LEU 48 -15.727 0.650 0.787 358 2HD1 LEU 48 2HD1 LEU 48 -14.098 0.615 1.467 359 3HD1 LEU 48 3HD1 LEU 48 -14.361 1.238 -0.162 360 1HD2 LEU 48 1HD2 LEU 48 -15.229 3.514 3.295 361 2HD2 LEU 48 2HD2 LEU 48 -13.983 2.268 3.266 362 3HD2 LEU 48 3HD2 LEU 48 -15.687 1.810 3.274 363 H GLU 49 H GLU 49 -12.116 4.102 -1.167 364 HA GLU 49 HA GLU 49 -11.918 1.835 -2.846 365 1HB GLU 49 2HB GLU 49 -10.953 4.681 -3.181 366 2HB GLU 49 1HB GLU 49 -10.877 3.475 -4.457 367 1HG GLU 49 2HG GLU 49 -13.456 4.162 -3.102 368 2HG GLU 49 1HG GLU 49 -12.834 5.102 -4.460 369 H LEU 50 H LEU 50 -9.555 3.852 -1.221 370 HA LEU 50 HA LEU 50 -7.191 2.996 -2.320 371 1HB LEU 50 2HB LEU 50 -7.950 3.977 0.386 372 2HB LEU 50 1HB LEU 50 -6.340 3.327 0.163 373 HG LEU 50 HG LEU 50 -5.897 4.990 -1.589 374 1HD1 LEU 50 1HD1 LEU 50 -8.089 6.766 -1.042 375 2HD1 LEU 50 2HD1 LEU 50 -8.677 5.240 -1.686 376 3HD1 LEU 50 3HD1 LEU 50 -7.489 6.173 -2.587 377 1HD2 LEU 50 1HD2 LEU 50 -5.843 6.969 -0.142 378 2HD2 LEU 50 2HD2 LEU 50 -5.310 5.518 0.707 379 3HD2 LEU 50 3HD2 LEU 50 -6.927 6.162 0.991 380 H SER 51 H SER 51 -8.876 1.475 0.439 381 HA SER 51 HA SER 51 -7.053 -0.492 1.059 382 1HB SER 51 2HB SER 51 -10.035 -0.988 0.879 383 2HB SER 51 1HB SER 51 -8.881 -1.792 1.942 384 HG SER 51 HG SER 51 -10.294 0.352 2.458 385 H HIS 52 H HIS 52 -9.695 -0.805 -1.313 386 HA HIS 52 HA HIS 52 -9.201 -3.311 -2.283 387 1HB HIS 52 2HB HIS 52 -11.021 -1.648 -2.963 388 2HB HIS 52 1HB HIS 52 -9.850 -1.006 -4.110 389 HD1 HIS 52 HD1 HIS 52 -10.942 -4.570 -3.277 390 HD2 HIS 52 HD2 HIS 52 -10.413 -2.023 -6.513 391 HE1 HIS 52 HE1 HIS 52 -11.545 -5.908 -5.337 392 H ILE 53 H ILE 53 -7.685 -0.286 -3.386 393 HA ILE 53 HA ILE 53 -6.046 -1.335 -5.370 394 HB ILE 53 HB ILE 53 -5.596 0.968 -3.475 395 1HG1 ILE 53 2HG1 ILE 53 -7.413 1.200 -5.119 396 2HG1 ILE 53 1HG1 ILE 53 -6.099 2.323 -5.453 397 1HG2 ILE 53 1HG2 ILE 53 -3.397 0.186 -4.119 398 2HG2 ILE 53 2HG2 ILE 53 -3.762 1.691 -4.963 399 3HG2 ILE 53 3HG2 ILE 53 -3.875 0.153 -5.816 400 1HD1 ILE 53 1HD1 ILE 53 -7.281 0.455 -7.198 401 2HD1 ILE 53 2HD1 ILE 53 -5.632 -0.093 -6.893 402 3HD1 ILE 53 3HD1 ILE 53 -5.920 1.533 -7.512 403 H TRP 54 H TRP 54 -5.409 -0.994 -1.882 404 HA TRP 54 HA TRP 54 -2.843 -2.177 -1.949 405 1HB TRP 54 2HB TRP 54 -3.580 -0.951 0.019 406 2HB TRP 54 1HB TRP 54 -4.871 -2.120 0.293 407 HD1 TRP 54 HD1 TRP 54 -4.073 -4.651 0.994 408 HE1 TRP 54 HE1 TRP 54 -2.020 -5.422 2.335 409 HE3 TRP 54 HE3 TRP 54 -1.190 -0.447 0.550 410 HZ2 TRP 54 HZ2 TRP 54 0.477 -4.377 3.122 411 HZ3 TRP 54 HZ3 TRP 54 1.014 -0.413 1.637 412 HH2 TRP 54 HH2 TRP 54 1.832 -2.338 2.896 413 H GLU 55 H GLU 55 -6.050 -3.591 -1.223 414 HA GLU 55 HA GLU 55 -5.208 -6.197 -0.817 415 1HB GLU 55 2HB GLU 55 -7.775 -5.113 -1.960 416 2HB GLU 55 1HB GLU 55 -7.529 -6.833 -1.684 417 1HG GLU 55 2HG GLU 55 -8.500 -6.312 0.292 418 2HG GLU 55 1HG GLU 55 -6.832 -5.952 0.720 419 H LEU 56 H LEU 56 -6.101 -4.661 -3.919 420 HA LEU 56 HA LEU 56 -5.576 -6.948 -5.513 421 1HB LEU 56 2HB LEU 56 -5.881 -4.030 -6.011 422 2HB LEU 56 1HB LEU 56 -5.133 -4.995 -7.269 423 HG LEU 56 HG LEU 56 -7.137 -6.430 -7.349 424 1HD1 LEU 56 1HD1 LEU 56 -8.034 -6.326 -5.186 425 2HD1 LEU 56 2HD1 LEU 56 -9.196 -5.472 -6.200 426 3HD1 LEU 56 3HD1 LEU 56 -8.071 -4.561 -5.194 427 1HD2 LEU 56 1HD2 LEU 56 -8.730 -4.550 -8.136 428 2HD2 LEU 56 2HD2 LEU 56 -7.192 -4.769 -8.972 429 3HD2 LEU 56 3HD2 LEU 56 -7.375 -3.476 -7.787 430 H SER 57 H SER 57 -3.607 -4.173 -4.574 431 HA SER 57 HA SER 57 -1.287 -4.945 -6.043 432 1HB SER 57 2HB SER 57 -1.545 -3.044 -3.706 433 2HB SER 57 1HB SER 57 -0.186 -3.140 -4.821 434 HG SER 57 HG SER 57 -2.761 -2.130 -5.230 435 H ASP 58 H ASP 58 -2.533 -5.826 -2.957 436 HA ASP 58 HA ASP 58 0.047 -6.875 -2.063 437 1HB ASP 58 2HB ASP 58 -1.369 -5.508 -0.525 438 2HB ASP 58 1HB ASP 58 -2.595 -6.768 -0.593 439 H PHE 59 H PHE 59 -0.519 -8.319 -4.119 440 HA PHE 59 HA PHE 59 -2.295 -10.351 -4.227 441 1HB PHE 59 2HB PHE 59 0.589 -10.230 -5.001 442 2HB PHE 59 1HB PHE 59 -0.292 -11.741 -5.182 443 HD1 PHE 59 HD1 PHE 59 -0.828 -12.118 -7.364 444 HD2 PHE 59 HD2 PHE 59 -1.148 -8.155 -5.846 445 HE1 PHE 59 HE1 PHE 59 -1.694 -11.361 -9.537 446 HE2 PHE 59 HE2 PHE 59 -2.016 -7.392 -8.019 447 HZ PHE 59 HZ PHE 59 -2.292 -8.997 -9.867 448 H ASP 60 H ASP 60 0.081 -10.043 -1.761 449 HA ASP 60 HA ASP 60 -0.106 -12.878 -1.062 450 1HB ASP 60 2HB ASP 60 1.606 -12.271 0.660 451 2HB ASP 60 1HB ASP 60 2.106 -11.948 -1.003 452 H LYS 61 H LYS 61 -1.112 -9.716 0.141 453 HA LYS 61 HA LYS 61 -2.669 -9.147 1.703 454 1HB LYS 61 2HB LYS 61 -3.173 -12.115 1.854 455 2HB LYS 61 1HB LYS 61 -4.180 -10.874 2.594 456 1HG LYS 61 2HG LYS 61 -3.732 -11.406 -0.327 457 2HG LYS 61 1HG LYS 61 -5.247 -11.466 0.579 458 1HD LYS 61 2HD LYS 61 -5.150 -9.054 0.925 459 2HD LYS 61 1HD LYS 61 -3.607 -8.978 0.073 460 1HE LYS 61 2HE LYS 61 -5.266 -8.305 -1.476 461 2HE LYS 61 1HE LYS 61 -4.792 -9.942 -1.926 462 1HZ LYS 61 1HZ LYS 61 -6.792 -10.798 -1.292 463 2HZ LYS 61 2HZ LYS 61 -7.302 -9.252 -1.753 464 3HZ LYS 61 3HZ LYS 61 -7.073 -9.612 -0.117 465 H ASP 62 H ASP 62 -0.070 -9.207 2.429 466 HA ASP 62 HA ASP 62 0.110 -10.535 5.039 467 1HB ASP 62 2HB ASP 62 2.506 -9.797 4.909 468 2HB ASP 62 1HB ASP 62 2.009 -10.830 3.571 469 H GLY 63 H GLY 63 -0.040 -7.345 3.603 470 1HA GLY 63 2HA GLY 63 -1.041 -5.536 4.907 471 2HA GLY 63 1HA GLY 63 -0.236 -6.193 6.326 472 H ALA 64 H ALA 64 1.791 -6.495 3.791 473 HA ALA 64 HA ALA 64 2.987 -3.833 3.999 474 1HB ALA 64 1HB ALA 64 4.184 -5.087 5.665 475 2HB ALA 64 2HB ALA 64 5.240 -4.874 4.268 476 3HB ALA 64 3HB ALA 64 4.439 -6.422 4.542 477 H LEU 65 H LEU 65 3.747 -3.122 2.087 478 HA LEU 65 HA LEU 65 3.573 -4.940 -0.185 479 1HB LEU 65 2HB LEU 65 3.275 -2.042 0.237 480 2HB LEU 65 1HB LEU 65 4.092 -2.490 -1.247 481 HG LEU 65 HG LEU 65 2.180 -3.731 -2.003 482 1HD1 LEU 65 1HD1 LEU 65 0.225 -3.100 -0.049 483 2HD1 LEU 65 2HD1 LEU 65 1.576 -3.907 0.746 484 3HD1 LEU 65 3HD1 LEU 65 0.758 -4.685 -0.608 485 1HD2 LEU 65 1HD2 LEU 65 1.251 -1.112 -0.844 486 2HD2 LEU 65 2HD2 LEU 65 0.575 -1.950 -2.241 487 3HD2 LEU 65 3HD2 LEU 65 2.205 -1.277 -2.320 488 H THR 66 H THR 66 5.358 -5.871 -0.847 489 HA THR 66 HA THR 66 7.971 -5.139 -0.087 490 HB THR 66 HB THR 66 8.702 -6.672 -1.875 491 HG1 THR 66 HG1 THR 66 5.914 -6.958 -2.432 492 1HG2 THR 66 1HG2 THR 66 7.116 -7.295 0.381 493 2HG2 THR 66 2HG2 THR 66 8.325 -8.308 -0.407 494 3HG2 THR 66 3HG2 THR 66 6.637 -8.396 -0.910 495 H LEU 67 H LEU 67 9.677 -4.225 -1.488 496 HA LEU 67 HA LEU 67 9.074 -1.842 -2.631 497 1HB LEU 67 2HB LEU 67 11.389 -2.918 -2.323 498 2HB LEU 67 1HB LEU 67 11.147 -3.607 -3.919 499 HG LEU 67 HG LEU 67 11.194 -0.656 -3.264 500 1HD1 LEU 67 1HD1 LEU 67 13.309 -0.573 -4.314 501 2HD1 LEU 67 2HD1 LEU 67 13.161 -2.229 -4.903 502 3HD1 LEU 67 3HD1 LEU 67 13.379 -1.923 -3.181 503 1HD2 LEU 67 1HD2 LEU 67 11.285 -0.478 -5.792 504 2HD2 LEU 67 2HD2 LEU 67 9.726 -0.908 -5.089 505 3HD2 LEU 67 3HD2 LEU 67 10.733 -2.153 -5.829 506 H ASP 68 H ASP 68 8.927 -5.016 -4.253 507 HA ASP 68 HA ASP 68 8.280 -4.061 -6.798 508 1HB ASP 68 2HB ASP 68 8.142 -6.606 -5.366 509 2HB ASP 68 1HB ASP 68 6.900 -6.406 -6.583 510 H GLU 69 H GLU 69 6.189 -5.056 -4.092 511 HA GLU 69 HA GLU 69 3.733 -4.437 -5.326 512 1HB GLU 69 2HB GLU 69 4.434 -4.203 -2.380 513 2HB GLU 69 1HB GLU 69 2.817 -4.260 -3.056 514 1HG GLU 69 2HG GLU 69 3.056 -6.523 -3.703 515 2HG GLU 69 1HG GLU 69 4.785 -6.505 -3.366 516 H PHE 70 H PHE 70 5.763 -2.562 -3.119 517 HA PHE 70 HA PHE 70 4.514 -0.152 -3.004 518 1HB PHE 70 2HB PHE 70 6.495 -0.457 -1.738 519 2HB PHE 70 1HB PHE 70 7.441 -0.855 -3.165 520 HD1 PHE 70 HD1 PHE 70 9.142 0.705 -3.170 521 HD2 PHE 70 HD2 PHE 70 5.123 1.990 -2.639 522 HE1 PHE 70 HE1 PHE 70 9.867 3.042 -3.389 523 HE2 PHE 70 HE2 PHE 70 5.841 4.333 -2.856 524 HZ PHE 70 HZ PHE 70 8.218 4.857 -3.253 525 H CYS 71 H CYS 71 6.725 -1.221 -5.580 526 HA CYS 71 HA CYS 71 6.518 1.166 -7.101 527 1HB CYS 71 2HB CYS 71 7.938 -1.279 -7.276 528 2HB CYS 71 1HB CYS 71 7.065 -1.076 -8.800 529 HG CYS 71 HG CYS 71 9.183 1.262 -7.474 530 H ALA 72 H ALA 72 5.002 -2.025 -7.511 531 HA ALA 72 HA ALA 72 3.486 -1.413 -9.780 532 1HB ALA 72 1HB ALA 72 3.620 -3.555 -7.828 533 2HB ALA 72 2HB ALA 72 3.309 -3.619 -9.563 534 3HB ALA 72 3HB ALA 72 1.986 -3.300 -8.442 535 H ALA 73 H ALA 73 2.712 -0.931 -6.378 536 HA ALA 73 HA ALA 73 0.022 -0.575 -6.375 537 1HB ALA 73 1HB ALA 73 1.457 -0.397 -4.398 538 2HB ALA 73 2HB ALA 73 0.302 0.931 -4.500 539 3HB ALA 73 3HB ALA 73 1.990 1.195 -4.939 540 H PHE 74 H PHE 74 2.351 2.011 -7.178 541 HA PHE 74 HA PHE 74 0.410 3.997 -7.679 542 1HB PHE 74 2HB PHE 74 2.841 4.407 -7.313 543 2HB PHE 74 1HB PHE 74 3.151 3.779 -8.929 544 HD1 PHE 74 HD1 PHE 74 1.124 6.361 -7.178 545 HD2 PHE 74 HD2 PHE 74 3.225 5.241 -10.699 546 HE1 PHE 74 HE1 PHE 74 0.741 8.604 -8.111 547 HE2 PHE 74 HE2 PHE 74 2.851 7.482 -11.641 548 HZ PHE 74 HZ PHE 74 1.607 9.168 -10.346 549 H HIS 75 H HIS 75 2.202 1.964 -10.001 550 HA HIS 75 HA HIS 75 1.197 2.828 -12.381 551 1HB HIS 75 2HB HIS 75 2.623 0.643 -11.444 552 2HB HIS 75 1HB HIS 75 1.201 -0.079 -12.167 553 HD1 HIS 75 HD1 HIS 75 3.449 2.786 -13.371 554 HD2 HIS 75 HD2 HIS 75 1.894 -0.858 -14.624 555 HE1 HIS 75 HE1 HIS 75 4.316 2.407 -15.708 556 H LEU 76 H LEU 76 -0.235 0.445 -10.194 557 HA LEU 76 HA LEU 76 -2.532 -0.120 -11.692 558 1HB LEU 76 2HB LEU 76 -2.037 -1.611 -9.982 559 2HB LEU 76 1HB LEU 76 -1.788 -0.330 -8.810 560 HG LEU 76 HG LEU 76 -4.197 0.105 -8.777 561 1HD1 LEU 76 1HD1 LEU 76 -4.564 -0.762 -11.121 562 2HD1 LEU 76 2HD1 LEU 76 -5.765 -1.248 -9.923 563 3HD1 LEU 76 3HD1 LEU 76 -4.515 -2.384 -10.432 564 1HD2 LEU 76 1HD2 LEU 76 -4.464 -1.417 -7.158 565 2HD2 LEU 76 2HD2 LEU 76 -2.825 -1.927 -7.566 566 3HD2 LEU 76 3HD2 LEU 76 -4.209 -2.768 -8.264 567 H VAL 77 H VAL 77 -2.181 2.058 -8.881 568 HA VAL 77 HA VAL 77 -4.739 3.052 -8.780 569 HB VAL 77 HB VAL 77 -2.202 4.644 -8.388 570 1HG1 VAL 77 1HG1 VAL 77 -4.989 5.385 -8.236 571 2HG1 VAL 77 2HG1 VAL 77 -3.548 6.391 -8.092 572 3HG1 VAL 77 3HG1 VAL 77 -4.195 5.571 -6.671 573 1HG2 VAL 77 1HG2 VAL 77 -2.050 3.812 -6.280 574 2HG2 VAL 77 2HG2 VAL 77 -2.809 2.425 -7.053 575 3HG2 VAL 77 3HG2 VAL 77 -3.787 3.563 -6.127 576 H VAL 78 H VAL 78 -2.102 4.099 -10.871 577 HA VAL 78 HA VAL 78 -3.095 6.326 -12.080 578 HB VAL 78 HB VAL 78 -1.763 3.997 -13.469 579 1HG1 VAL 78 1HG1 VAL 78 -2.138 6.861 -14.329 580 2HG1 VAL 78 2HG1 VAL 78 -2.676 5.399 -15.157 581 3HG1 VAL 78 3HG1 VAL 78 -0.955 5.769 -15.049 582 1HG2 VAL 78 1HG2 VAL 78 -0.833 5.887 -11.533 583 2HG2 VAL 78 2HG2 VAL 78 0.026 6.110 -13.058 584 3HG2 VAL 78 3HG2 VAL 78 0.016 4.531 -12.274 585 H ALA 79 H ALA 79 -3.828 2.969 -13.012 586 HA ALA 79 HA ALA 79 -5.492 3.338 -15.138 587 1HB ALA 79 1HB ALA 79 -4.984 1.279 -13.260 588 2HB ALA 79 2HB ALA 79 -5.685 1.148 -14.872 589 3HB ALA 79 3HB ALA 79 -6.732 1.395 -13.474 590 H ARG 80 H ARG 80 -6.490 3.374 -11.727 591 HA ARG 80 HA ARG 80 -9.177 3.985 -12.201 592 1HB ARG 80 2HB ARG 80 -8.208 3.204 -10.029 593 2HB ARG 80 1HB ARG 80 -7.591 4.834 -9.779 594 1HG ARG 80 2HG ARG 80 -9.743 5.733 -9.584 595 2HG ARG 80 1HG ARG 80 -10.491 4.306 -10.296 596 1HD ARG 80 2HD ARG 80 -9.342 3.151 -8.165 597 2HD ARG 80 1HD ARG 80 -9.543 4.781 -7.524 598 HE ARG 80 HE ARG 80 -11.657 3.970 -7.050 599 1HH1 ARG 80 2HH1 ARG 80 -10.833 3.017 -10.278 600 2HH1 ARG 80 1HH1 ARG 80 -12.448 2.614 -10.705 601 1HH2 ARG 80 1HH2 ARG 80 -13.763 3.357 -7.615 602 2HH2 ARG 80 2HH2 ARG 80 -14.097 2.827 -9.218 603 H LYS 81 H LYS 81 -6.371 6.090 -11.710 604 HA LYS 81 HA LYS 81 -7.810 8.534 -11.719 605 1HB LYS 81 2HB LYS 81 -5.287 7.993 -11.155 606 2HB LYS 81 1HB LYS 81 -5.051 8.341 -12.863 607 1HG LYS 81 2HG LYS 81 -4.646 10.375 -11.847 608 2HG LYS 81 1HG LYS 81 -6.320 10.524 -12.383 609 1HD LYS 81 2HD LYS 81 -6.438 11.318 -10.204 610 2HD LYS 81 1HD LYS 81 -6.873 9.618 -10.000 611 1HE LYS 81 2HE LYS 81 -5.235 10.379 -8.314 612 2HE LYS 81 1HE LYS 81 -4.613 9.076 -9.328 613 1HZ LYS 81 1HZ LYS 81 -4.058 11.709 -10.352 614 2HZ LYS 81 2HZ LYS 81 -3.023 10.384 -10.159 615 3HZ LYS 81 3HZ LYS 81 -3.340 11.409 -8.849 616 H ASN 82 H ASN 82 -6.376 6.542 -14.230 617 HA ASN 82 HA ASN 82 -6.733 8.297 -16.399 618 1HB ASN 82 2HB ASN 82 -6.539 5.282 -16.267 619 2HB ASN 82 1HB ASN 82 -6.606 6.177 -17.783 620 1HD2 ASN 82 1HD2 ASN 82 -4.671 6.333 -18.651 621 2HD2 ASN 82 2HD2 ASN 82 -3.195 6.613 -17.803 622 H GLY 83 H GLY 83 -8.795 5.753 -15.050 623 1HA GLY 83 2HA GLY 83 -11.228 6.524 -15.123 624 2HA GLY 83 1HA GLY 83 -10.953 6.668 -16.852 625 H TYR 84 H TYR 84 -9.166 4.156 -16.503 626 HA TYR 84 HA TYR 84 -10.871 2.273 -17.547 627 1HB TYR 84 2HB TYR 84 -8.201 2.297 -16.484 628 2HB TYR 84 1HB TYR 84 -9.025 0.831 -15.966 629 HD1 TYR 84 HD1 TYR 84 -6.813 1.841 -18.255 630 HD2 TYR 84 HD2 TYR 84 -10.666 0.038 -18.157 631 HE1 TYR 84 HE1 TYR 84 -6.394 0.839 -20.459 632 HE2 TYR 84 HE2 TYR 84 -10.257 -0.969 -20.363 633 HH TYR 84 HH TYR 84 -7.372 -0.197 -22.224 634 H ASP 85 H ASP 85 -12.318 0.831 -16.784 635 HA ASP 85 HA ASP 85 -13.512 1.224 -14.282 636 1HB ASP 85 2HB ASP 85 -14.653 0.219 -16.245 637 2HB ASP 85 1HB ASP 85 -13.704 -1.249 -16.011 638 H LEU 86 H LEU 86 -13.599 -0.104 -12.422 639 HA LEU 86 HA LEU 86 -11.184 -1.758 -12.057 640 1HB LEU 86 2HB LEU 86 -12.528 0.203 -10.279 641 2HB LEU 86 1HB LEU 86 -11.807 -1.208 -9.528 642 HG LEU 86 HG LEU 86 -10.351 0.790 -11.264 643 1HD1 LEU 86 1HD1 LEU 86 -11.117 1.038 -8.621 644 2HD1 LEU 86 2HD1 LEU 86 -9.811 1.919 -9.414 645 3HD1 LEU 86 3HD1 LEU 86 -9.460 0.441 -8.520 646 1HD2 LEU 86 1HD2 LEU 86 -8.381 -0.436 -10.870 647 2HD2 LEU 86 2HD2 LEU 86 -9.587 -1.641 -11.325 648 3HD2 LEU 86 3HD2 LEU 86 -9.149 -1.428 -9.630 649 HA PRO 87 HA PRO 87 -14.274 -4.933 -11.308 650 1HB PRO 87 2HB PRO 87 -12.622 -7.026 -11.658 651 2HB PRO 87 1HB PRO 87 -13.210 -6.087 -13.035 652 1HG PRO 87 2HG PRO 87 -10.559 -5.994 -11.666 653 2HG PRO 87 1HG PRO 87 -10.933 -5.874 -13.394 654 1HD PRO 87 2HD PRO 87 -10.403 -3.723 -11.732 655 2HD PRO 87 1HD PRO 87 -11.286 -3.622 -13.269 656 H GLU 88 H GLU 88 -12.949 -7.336 -10.079 657 HA GLU 88 HA GLU 88 -12.467 -8.131 -7.982 658 1HB GLU 88 2HB GLU 88 -11.023 -5.484 -7.857 659 2HB GLU 88 1HB GLU 88 -10.832 -6.772 -6.677 660 1HG GLU 88 2HG GLU 88 -10.380 -7.376 -9.550 661 2HG GLU 88 1HG GLU 88 -9.143 -6.498 -8.649 662 H LYS 89 H LYS 89 -13.508 -8.265 -6.053 663 HA LYS 89 HA LYS 89 -14.866 -5.866 -5.041 664 1HB LYS 89 2HB LYS 89 -16.092 -8.410 -5.900 665 2HB LYS 89 1HB LYS 89 -16.684 -7.739 -4.388 666 1HG LYS 89 2HG LYS 89 -18.052 -7.024 -6.241 667 2HG LYS 89 1HG LYS 89 -17.220 -5.649 -5.515 668 1HD LYS 89 2HD LYS 89 -15.647 -5.570 -7.307 669 2HD LYS 89 1HD LYS 89 -16.242 -7.097 -7.970 670 1HE LYS 89 2HE LYS 89 -17.069 -5.072 -9.171 671 2HE LYS 89 1HE LYS 89 -18.344 -6.110 -8.529 672 1HZ LYS 89 1HZ LYS 89 -18.680 -4.610 -6.703 673 2HZ LYS 89 2HZ LYS 89 -18.714 -3.705 -8.134 674 3HZ LYS 89 3HZ LYS 89 -17.339 -3.674 -7.153 675 H LEU 90 H LEU 90 -12.775 -6.208 -3.708 676 HA LEU 90 HA LEU 90 -12.613 -8.277 -1.815 677 1HB LEU 90 2HB LEU 90 -11.082 -6.098 -2.505 678 2HB LEU 90 1HB LEU 90 -11.630 -5.675 -0.895 679 HG LEU 90 HG LEU 90 -9.482 -6.766 -0.756 680 1HD1 LEU 90 1HD1 LEU 90 -11.688 -7.463 0.702 681 2HD1 LEU 90 2HD1 LEU 90 -10.026 -7.912 1.083 682 3HD1 LEU 90 3HD1 LEU 90 -11.060 -9.030 0.193 683 1HD2 LEU 90 1HD2 LEU 90 -9.893 -9.412 -1.443 684 2HD2 LEU 90 2HD2 LEU 90 -8.964 -8.223 -2.358 685 3HD2 LEU 90 3HD2 LEU 90 -10.660 -8.510 -2.751 686 HA PRO 91 HA PRO 91 -14.955 -5.358 1.281 687 1HB PRO 91 2HB PRO 91 -16.141 -3.147 0.323 688 2HB PRO 91 1HB PRO 91 -14.426 -3.161 0.759 689 1HG PRO 91 2HG PRO 91 -15.685 -3.491 -1.949 690 2HG PRO 91 1HG PRO 91 -14.345 -2.428 -1.473 691 1HD PRO 91 2HD PRO 91 -13.920 -4.810 -2.663 692 2HD PRO 91 1HD PRO 91 -12.818 -4.174 -1.421 693 H GLU 92 H GLU 92 -16.259 -5.495 -1.968 694 HA GLU 92 HA GLU 92 -19.002 -5.502 -1.405 695 1HB GLU 92 2HB GLU 92 -17.706 -5.308 -3.634 696 2HB GLU 92 1HB GLU 92 -17.711 -7.061 -3.636 697 1HG GLU 92 2HG GLU 92 -19.527 -6.624 -4.938 698 2HG GLU 92 1HG GLU 92 -20.292 -6.759 -3.357 699 H SER 93 H SER 93 -19.291 -8.175 -2.992 700 HA SER 93 HA SER 93 -18.790 -10.061 -0.800 701 1HB SER 93 2HB SER 93 -21.010 -10.966 -0.856 702 2HB SER 93 1HB SER 93 -21.166 -9.219 -0.666 703 HG SER 93 HG SER 93 -21.516 -10.750 -3.028 704 H LEU 94 H LEU 94 -17.199 -9.957 -2.921 705 HA LEU 94 HA LEU 94 -18.032 -12.260 -4.568 706 1HB LEU 94 2HB LEU 94 -16.290 -9.933 -5.388 707 2HB LEU 94 1HB LEU 94 -16.640 -11.334 -6.382 708 HG LEU 94 HG LEU 94 -19.020 -10.723 -6.417 709 1HD1 LEU 94 1HD1 LEU 94 -19.795 -9.440 -4.767 710 2HD1 LEU 94 2HD1 LEU 94 -19.040 -8.070 -5.584 711 3HD1 LEU 94 3HD1 LEU 94 -18.171 -8.928 -4.312 712 1HD2 LEU 94 1HD2 LEU 94 -17.473 -8.282 -7.188 713 2HD2 LEU 94 2HD2 LEU 94 -18.813 -9.058 -8.025 714 3HD2 LEU 94 3HD2 LEU 94 -17.217 -9.808 -8.025 715 H MET 95 H MET 95 -15.141 -10.487 -3.422 716 HA MET 95 HA MET 95 -13.438 -12.772 -3.774 717 1HB MET 95 2HB MET 95 -13.054 -10.063 -2.516 718 2HB MET 95 1HB MET 95 -11.813 -11.300 -2.453 719 1HG MET 95 2HG MET 95 -12.844 -10.833 -5.139 720 2HG MET 95 1HG MET 95 -12.093 -9.415 -4.408 721 1HE MET 95 1HE MET 95 -11.889 -13.095 -4.571 722 2HE MET 95 2HE MET 95 -10.330 -13.317 -3.776 723 3HE MET 95 3HE MET 95 -10.443 -13.415 -5.531 724 HA PRO 96 HA PRO 96 -14.432 -14.633 0.162 725 1HB PRO 96 2HB PRO 96 -12.536 -16.569 0.095 726 2HB PRO 96 1HB PRO 96 -14.010 -16.647 -0.878 727 1HG PRO 96 2HG PRO 96 -11.254 -15.787 -1.679 728 2HG PRO 96 1HG PRO 96 -12.400 -16.826 -2.552 729 1HD PRO 96 2HD PRO 96 -12.060 -14.208 -3.154 730 2HD PRO 96 1HD PRO 96 -13.616 -15.036 -3.341 731 H LYS 97 HN LYS 97 -12.866 -15.592 2.004 732 HA LYS 97 HA LYS 97 -10.568 -13.827 2.367 733 1HB LYS 97 2HB LYS 97 -13.007 -13.785 4.033 734 2HB LYS 97 1HB LYS 97 -11.493 -13.886 4.920 735 1HG LYS 97 2HG LYS 97 -12.175 -11.766 2.892 736 2HG LYS 97 1HG LYS 97 -12.222 -11.580 4.648 737 1HD LYS 97 2HD LYS 97 -9.768 -12.281 3.040 738 2HD LYS 97 1HD LYS 97 -10.140 -10.679 3.686 739 1HE LYS 97 2HE LYS 97 -8.749 -11.528 5.323 740 2HE LYS 97 1HE LYS 97 -10.340 -11.952 5.948 741 1HZ LYS 97 1HZ LYS 97 -8.511 -13.729 5.910 742 2HZ LYS 97 2HZ LYS 97 -8.860 -13.870 4.263 743 3HZ LYS 97 3HZ LYS 97 -10.066 -14.168 5.411 Start of MODEL 27 1 1H TRP 6 1H TRP 6 -2.877 -5.674 -18.310 2 2H TRP 6 2H TRP 6 -1.872 -5.728 -19.673 3 3H TRP 6 3H TRP 6 -3.285 -4.795 -19.698 4 HA TRP 6 HA TRP 6 -2.245 -3.046 -18.871 5 1HB TRP 6 2HB TRP 6 -1.341 -5.029 -16.776 6 2HB TRP 6 1HB TRP 6 -0.967 -3.311 -16.687 7 HD1 TRP 6 HD1 TRP 6 -4.204 -5.445 -17.093 8 HE1 TRP 6 HE1 TRP 6 -6.043 -4.351 -15.661 9 HE3 TRP 6 HE3 TRP 6 -1.567 -1.454 -15.305 10 HZ2 TRP 6 HZ2 TRP 6 -6.334 -2.083 -13.991 11 HZ3 TRP 6 HZ3 TRP 6 -2.692 0.135 -13.813 12 HH2 TRP 6 HH2 TRP 6 -5.026 -0.172 -13.160 13 H LYS 7 H LYS 7 0.210 -2.504 -17.854 14 HA LYS 7 HA LYS 7 2.413 -3.870 -18.829 15 1HB LYS 7 2HB LYS 7 3.026 -2.581 -20.824 16 2HB LYS 7 1HB LYS 7 1.533 -3.476 -21.065 17 1HG LYS 7 2HG LYS 7 0.265 -1.399 -20.623 18 2HG LYS 7 1HG LYS 7 1.798 -0.528 -20.516 19 1HD LYS 7 2HD LYS 7 0.827 -0.285 -22.739 20 2HD LYS 7 1HD LYS 7 2.333 -1.202 -22.814 21 1HE LYS 7 2HE LYS 7 1.070 -3.287 -22.917 22 2HE LYS 7 1HE LYS 7 -0.443 -2.385 -22.803 23 1HZ LYS 7 1HZ LYS 7 1.505 -2.401 -25.031 24 2HZ LYS 7 2HZ LYS 7 0.305 -1.218 -24.889 25 3HZ LYS 7 3HZ LYS 7 -0.128 -2.843 -25.069 26 H ILE 8 H ILE 8 4.386 -2.762 -18.412 27 HA ILE 8 HA ILE 8 4.096 -0.099 -17.183 28 HB ILE 8 HB ILE 8 5.651 -2.394 -15.989 29 1HG1 ILE 8 2HG1 ILE 8 3.092 -1.048 -15.096 30 2HG1 ILE 8 1HG1 ILE 8 3.261 -2.707 -15.663 31 1HG2 ILE 8 1HG2 ILE 8 5.526 -0.520 -14.054 32 2HG2 ILE 8 2HG2 ILE 8 5.604 0.504 -15.489 33 3HG2 ILE 8 3HG2 ILE 8 6.872 -0.684 -15.183 34 1HD1 ILE 8 1HD1 ILE 8 4.832 -3.053 -13.695 35 2HD1 ILE 8 2HD1 ILE 8 3.118 -2.859 -13.331 36 3HD1 ILE 8 3HD1 ILE 8 4.229 -1.511 -13.091 37 H THR 9 H THR 9 5.538 1.329 -17.959 38 HA THR 9 HA THR 9 7.794 0.336 -19.522 39 HB THR 9 HB THR 9 7.052 3.224 -19.061 40 HG1 THR 9 HG1 THR 9 6.256 2.647 -21.425 41 1HG2 THR 9 1HG2 THR 9 9.343 2.561 -19.959 42 2HG2 THR 9 2HG2 THR 9 8.406 3.708 -20.917 43 3HG2 THR 9 3HG2 THR 9 8.492 2.016 -21.404 44 H ASP 10 H ASP 10 9.833 0.317 -18.853 45 HA ASP 10 HA ASP 10 10.635 0.461 -16.276 46 1HB ASP 10 2HB ASP 10 11.989 -0.345 -18.223 47 2HB ASP 10 1HB ASP 10 12.364 1.334 -18.595 48 H GLU 11 H GLU 11 10.373 3.211 -18.514 49 HA GLU 11 HA GLU 11 11.665 5.158 -16.993 50 1HB GLU 11 2HB GLU 11 9.950 5.135 -19.247 51 2HB GLU 11 1HB GLU 11 9.283 6.293 -18.105 52 1HG GLU 11 2HG GLU 11 11.875 6.991 -18.019 53 2HG GLU 11 1HG GLU 11 11.766 6.392 -19.675 54 H GLN 12 H GLN 12 8.248 4.254 -16.970 55 HA GLN 12 HA GLN 12 7.506 5.917 -14.837 56 1HB GLN 12 2HB GLN 12 6.321 3.526 -16.205 57 2HB GLN 12 1HB GLN 12 5.540 4.228 -14.802 58 1HG GLN 12 2HG GLN 12 5.089 6.235 -15.896 59 2HG GLN 12 1HG GLN 12 6.290 5.919 -17.147 60 1HE2 GLN 12 1HE2 GLN 12 3.040 5.614 -16.228 61 2HE2 GLN 12 2HE2 GLN 12 2.500 4.704 -17.593 62 H ARG 13 H ARG 13 8.724 2.616 -15.040 63 HA ARG 13 HA ARG 13 8.219 1.849 -12.365 64 1HB ARG 13 2HB ARG 13 8.878 0.112 -13.823 65 2HB ARG 13 1HB ARG 13 10.270 1.015 -14.401 66 1HG ARG 13 2HG ARG 13 11.543 -0.032 -12.925 67 2HG ARG 13 1HG ARG 13 10.604 0.690 -11.619 68 1HD ARG 13 2HD ARG 13 10.618 -1.704 -11.361 69 2HD ARG 13 1HD ARG 13 8.993 -1.178 -11.804 70 HE ARG 13 HE ARG 13 10.562 -1.936 -14.072 71 1HH1 ARG 13 2HH1 ARG 13 8.612 -3.143 -11.496 72 2HH1 ARG 13 1HH1 ARG 13 8.162 -4.582 -12.340 73 1HH2 ARG 13 1HH2 ARG 13 10.000 -3.815 -15.180 74 2HH2 ARG 13 2HH2 ARG 13 8.951 -4.958 -14.422 75 H GLN 14 H GLN 14 11.175 3.099 -13.871 76 HA GLN 14 HA GLN 14 12.609 3.451 -11.465 77 1HB GLN 14 2HB GLN 14 14.088 4.876 -12.897 78 2HB GLN 14 1HB GLN 14 13.792 3.267 -13.541 79 1HG GLN 14 2HG GLN 14 13.360 4.349 -15.446 80 2HG GLN 14 1HG GLN 14 11.792 4.673 -14.707 81 1HE2 GLN 14 1HE2 GLN 14 13.852 6.117 -16.540 82 2HE2 GLN 14 2HE2 GLN 14 13.839 7.726 -15.911 83 H TYR 15 H TYR 15 10.707 5.648 -13.465 84 HA TYR 15 HA TYR 15 11.202 8.063 -12.297 85 1HB TYR 15 2HB TYR 15 9.634 7.524 -14.238 86 2HB TYR 15 1HB TYR 15 8.410 7.176 -13.018 87 HD1 TYR 15 HD1 TYR 15 7.916 9.052 -11.314 88 HD2 TYR 15 HD2 TYR 15 9.911 9.693 -15.014 89 HE1 TYR 15 HE1 TYR 15 7.346 11.439 -11.198 90 HE2 TYR 15 HE2 TYR 15 9.349 12.084 -14.911 91 HH TYR 15 HH TYR 15 8.804 13.765 -12.966 92 H TYR 16 H TYR 16 8.864 5.622 -11.225 93 HA TYR 16 HA TYR 16 7.907 7.055 -8.985 94 1HB TYR 16 2HB TYR 16 8.091 4.055 -9.313 95 2HB TYR 16 1HB TYR 16 7.015 4.929 -8.230 96 HD1 TYR 16 HD1 TYR 16 6.491 7.113 -10.495 97 HD2 TYR 16 HD2 TYR 16 6.194 2.875 -10.280 98 HE1 TYR 16 HE1 TYR 16 4.789 7.148 -12.266 99 HE2 TYR 16 HE2 TYR 16 4.490 2.897 -12.049 100 HH TYR 16 HH TYR 16 2.857 5.610 -12.994 101 H VAL 17 H VAL 17 10.265 4.394 -9.199 102 HA VAL 17 HA VAL 17 11.051 4.177 -6.595 103 HB VAL 17 HB VAL 17 12.898 4.134 -8.986 104 1HG1 VAL 17 1HG1 VAL 17 14.199 2.548 -7.494 105 2HG1 VAL 17 2HG1 VAL 17 13.221 3.162 -6.161 106 3HG1 VAL 17 3HG1 VAL 17 14.262 4.259 -7.072 107 1HG2 VAL 17 1HG2 VAL 17 11.836 2.281 -9.592 108 2HG2 VAL 17 2HG2 VAL 17 10.778 2.383 -8.185 109 3HG2 VAL 17 3HG2 VAL 17 12.321 1.539 -8.069 110 H ASN 18 H ASN 18 12.187 6.584 -8.945 111 HA ASN 18 HA ASN 18 14.198 7.783 -7.552 112 1HB ASN 18 2HB ASN 18 12.559 8.466 -9.742 113 2HB ASN 18 1HB ASN 18 12.557 9.858 -8.669 114 1HD2 ASN 18 1HD2 ASN 18 15.360 8.908 -7.777 115 2HD2 ASN 18 2HD2 ASN 18 16.378 9.513 -9.025 116 H GLN 19 H GLN 19 10.726 8.441 -7.135 117 HA GLN 19 HA GLN 19 11.308 10.278 -4.964 118 1HB GLN 19 2HB GLN 19 8.645 9.302 -6.003 119 2HB GLN 19 1HB GLN 19 8.887 10.620 -4.863 120 1HG GLN 19 2HG GLN 19 10.154 11.837 -6.594 121 2HG GLN 19 1HG GLN 19 9.790 10.538 -7.730 122 1HE2 GLN 19 1HE2 GLN 19 8.316 11.208 -9.104 123 2HE2 GLN 19 2HE2 GLN 19 6.893 12.108 -8.712 124 H PHE 20 H PHE 20 9.584 7.183 -5.333 125 HA PHE 20 HA PHE 20 8.998 6.855 -2.604 126 1HB PHE 20 2HB PHE 20 8.678 5.336 -4.992 127 2HB PHE 20 1HB PHE 20 9.243 4.290 -3.695 128 HD1 PHE 20 HD1 PHE 20 7.484 3.148 -2.754 129 HD2 PHE 20 HD2 PHE 20 6.972 7.239 -3.807 130 HE1 PHE 20 HE1 PHE 20 5.223 3.111 -1.785 131 HE2 PHE 20 HE2 PHE 20 4.710 7.209 -2.843 132 HZ PHE 20 HZ PHE 20 3.839 5.146 -1.829 133 H LYS 21 H LYS 21 11.943 6.304 -4.344 134 HA LYS 21 HA LYS 21 13.233 4.344 -2.983 135 1HB LYS 21 2HB LYS 21 14.152 6.870 -4.220 136 2HB LYS 21 1HB LYS 21 15.285 6.065 -3.140 137 1HG LYS 21 2HG LYS 21 14.273 4.045 -4.771 138 2HG LYS 21 1HG LYS 21 14.552 5.418 -5.845 139 1HD LYS 21 2HD LYS 21 16.561 4.196 -3.949 140 2HD LYS 21 1HD LYS 21 16.539 4.017 -5.706 141 1HE LYS 21 2HE LYS 21 16.999 6.336 -6.023 142 2HE LYS 21 1HE LYS 21 16.765 6.677 -4.310 143 1HZ LYS 21 1HZ LYS 21 18.841 4.760 -5.115 144 2HZ LYS 21 2HZ LYS 21 18.781 5.767 -3.760 145 3HZ LYS 21 3HZ LYS 21 19.151 6.417 -5.278 146 H THR 22 H THR 22 12.481 7.544 -1.751 147 HA THR 22 HA THR 22 14.151 7.673 0.446 148 HB THR 22 HB THR 22 11.250 8.521 0.316 149 HG1 THR 22 HG1 THR 22 13.110 9.418 -1.121 150 1HG2 THR 22 1HG2 THR 22 11.637 9.886 2.209 151 2HG2 THR 22 2HG2 THR 22 13.375 9.588 2.160 152 3HG2 THR 22 3HG2 THR 22 12.271 8.295 2.628 153 H ILE 23 H ILE 23 11.300 5.745 -0.070 154 HA ILE 23 HA ILE 23 11.640 4.517 2.581 155 HB ILE 23 HB ILE 23 9.187 4.483 0.816 156 1HG1 ILE 23 2HG1 ILE 23 9.732 5.905 3.435 157 2HG1 ILE 23 1HG1 ILE 23 9.610 6.677 1.856 158 1HG2 ILE 23 1HG2 ILE 23 9.148 2.468 1.994 159 2HG2 ILE 23 2HG2 ILE 23 8.179 3.554 2.988 160 3HG2 ILE 23 3HG2 ILE 23 9.844 3.193 3.443 161 1HD1 ILE 23 1HD1 ILE 23 7.245 5.496 1.875 162 2HD1 ILE 23 2HD1 ILE 23 7.517 7.066 2.632 163 3HD1 ILE 23 3HD1 ILE 23 7.488 5.605 3.619 164 H GLN 24 H GLN 24 11.229 3.850 -0.876 165 HA GLN 24 HA GLN 24 12.029 1.067 -0.363 166 1HB GLN 24 2HB GLN 24 9.769 2.058 -1.649 167 2HB GLN 24 1HB GLN 24 10.827 1.515 -2.939 168 1HG GLN 24 2HG GLN 24 9.408 -0.295 -2.356 169 2HG GLN 24 1HG GLN 24 11.025 -0.672 -1.767 170 1HE2 GLN 24 1HE2 GLN 24 11.017 0.864 0.615 171 2HE2 GLN 24 2HE2 GLN 24 9.849 0.181 1.689 172 HA PRO 25 HA PRO 25 15.421 3.321 -2.708 173 1HB PRO 25 2HB PRO 25 17.404 1.992 -1.318 174 2HB PRO 25 1HB PRO 25 16.763 3.583 -0.903 175 1HG PRO 25 2HG PRO 25 16.089 0.907 0.241 176 2HG PRO 25 1HG PRO 25 16.274 2.467 1.064 177 1HD PRO 25 2HD PRO 25 13.854 1.428 0.536 178 2HD PRO 25 1HD PRO 25 14.155 3.179 0.464 179 H ASP 26 H ASP 26 15.338 -0.129 -1.733 180 HA ASP 26 HA ASP 26 16.134 -0.820 -4.477 181 1HB ASP 26 2HB ASP 26 18.049 -0.968 -2.837 182 2HB ASP 26 1HB ASP 26 17.153 -2.239 -2.011 183 H LEU 27 H LEU 27 16.154 -3.650 -3.992 184 HA LEU 27 HA LEU 27 13.344 -4.181 -4.171 185 1HB LEU 27 2HB LEU 27 15.606 -5.349 -5.166 186 2HB LEU 27 1HB LEU 27 15.156 -6.465 -3.892 187 HG LEU 27 HG LEU 27 12.887 -6.631 -4.923 188 1HD1 LEU 27 1HD1 LEU 27 13.985 -5.470 -7.424 189 2HD1 LEU 27 2HD1 LEU 27 13.437 -4.356 -6.172 190 3HD1 LEU 27 3HD1 LEU 27 12.319 -5.542 -6.846 191 1HD2 LEU 27 1HD2 LEU 27 14.275 -8.426 -5.413 192 2HD2 LEU 27 2HD2 LEU 27 15.393 -7.435 -6.349 193 3HD2 LEU 27 3HD2 LEU 27 13.814 -7.852 -7.015 194 H ASN 28 H ASN 28 15.640 -4.147 -1.657 195 HA ASN 28 HA ASN 28 14.087 -5.978 0.010 196 1HB ASN 28 2HB ASN 28 16.613 -6.069 -0.081 197 2HB ASN 28 1HB ASN 28 16.626 -4.512 0.744 198 1HD2 ASN 28 1HD2 ASN 28 17.905 -6.464 1.963 199 2HD2 ASN 28 2HD2 ASN 28 17.015 -7.057 3.318 200 H GLY 29 H GLY 29 12.812 -3.619 -0.747 201 1HA GLY 29 2HA GLY 29 12.722 -2.106 1.791 202 2HA GLY 29 1HA GLY 29 12.373 -1.394 0.222 203 H PHE 30 H PHE 30 10.790 -1.859 2.826 204 HA PHE 30 HA PHE 30 8.390 -2.921 1.489 205 1HB PHE 30 2HB PHE 30 9.051 -3.438 4.393 206 2HB PHE 30 1HB PHE 30 7.739 -4.134 3.447 207 HD1 PHE 30 HD1 PHE 30 11.470 -3.876 3.274 208 HD2 PHE 30 HD2 PHE 30 8.003 -6.291 2.765 209 HE1 PHE 30 HE1 PHE 30 12.897 -5.797 2.693 210 HE2 PHE 30 HE2 PHE 30 9.421 -8.211 2.184 211 HZ PHE 30 HZ PHE 30 11.870 -7.969 2.150 212 H ILE 31 H ILE 31 6.435 -2.014 2.063 213 HA ILE 31 HA ILE 31 6.552 0.373 3.782 214 HB ILE 31 HB ILE 31 5.494 0.097 1.002 215 1HG1 ILE 31 2HG1 ILE 31 6.855 2.409 2.378 216 2HG1 ILE 31 1HG1 ILE 31 7.747 1.097 1.609 217 1HG2 ILE 31 1HG2 ILE 31 4.239 2.232 1.365 218 2HG2 ILE 31 2HG2 ILE 31 4.469 1.997 3.097 219 3HG2 ILE 31 3HG2 ILE 31 3.544 0.823 2.164 220 1HD1 ILE 31 1HD1 ILE 31 6.389 3.393 0.432 221 2HD1 ILE 31 2HD1 ILE 31 6.036 1.864 -0.374 222 3HD1 ILE 31 3HD1 ILE 31 7.706 2.401 -0.197 223 HA PRO 32 HA PRO 32 3.048 -1.656 5.681 224 1HB PRO 32 2HB PRO 32 2.597 0.277 7.530 225 2HB PRO 32 1HB PRO 32 3.902 -0.904 7.689 226 1HG PRO 32 2HG PRO 32 4.014 1.929 6.726 227 2HG PRO 32 1HG PRO 32 5.129 1.069 7.804 228 1HD PRO 32 2HD PRO 32 5.652 1.470 5.175 229 2HD PRO 32 1HD PRO 32 6.224 0.042 6.059 230 H GLY 33 H GLY 33 0.816 -1.421 5.466 231 1HA GLY 33 2HA GLY 33 -0.270 0.144 3.495 232 2HA GLY 33 1HA GLY 33 -1.198 -0.421 4.880 233 H SER 34 H SER 34 0.422 1.080 6.789 234 HA SER 34 HA SER 34 -1.066 3.416 7.021 235 1HB SER 34 2HB SER 34 0.165 2.541 8.918 236 2HB SER 34 1HB SER 34 1.701 2.800 8.088 237 HG SER 34 HG SER 34 0.286 4.517 9.586 238 H ALA 35 H ALA 35 2.293 3.098 5.814 239 HA ALA 35 HA ALA 35 2.518 5.813 5.040 240 1HB ALA 35 1HB ALA 35 4.497 4.490 5.429 241 2HB ALA 35 2HB ALA 35 4.491 5.043 3.754 242 3HB ALA 35 3HB ALA 35 4.049 3.380 4.135 243 H ALA 36 H ALA 36 1.872 2.847 3.172 244 HA ALA 36 HA ALA 36 1.647 3.975 0.651 245 1HB ALA 36 1HB ALA 36 -0.103 2.049 0.338 246 2HB ALA 36 2HB ALA 36 0.445 1.570 1.944 247 3HB ALA 36 3HB ALA 36 1.597 1.675 0.613 248 H LYS 37 H LYS 37 -0.880 3.588 3.115 249 HA LYS 37 HA LYS 37 -2.994 4.639 1.606 250 1HB LYS 37 2HB LYS 37 -2.496 3.792 4.313 251 2HB LYS 37 1HB LYS 37 -3.466 5.254 4.304 252 1HG LYS 37 2HG LYS 37 -5.221 4.245 3.191 253 2HG LYS 37 1HG LYS 37 -4.198 2.970 2.526 254 1HD LYS 37 2HD LYS 37 -3.963 2.006 4.770 255 2HD LYS 37 1HD LYS 37 -5.013 3.269 5.418 256 1HE LYS 37 2HE LYS 37 -6.178 1.112 4.997 257 2HE LYS 37 1HE LYS 37 -6.868 2.476 4.120 258 1HZ LYS 37 1HZ LYS 37 -6.096 1.697 2.118 259 2HZ LYS 37 2HZ LYS 37 -6.443 0.239 2.902 260 3HZ LYS 37 3HZ LYS 37 -4.846 0.790 2.808 261 H GLU 38 H GLU 38 -0.957 6.241 4.083 262 HA GLU 38 HA GLU 38 -2.082 8.791 3.716 263 1HB GLU 38 2HB GLU 38 0.224 7.625 5.092 264 2HB GLU 38 1HB GLU 38 0.475 9.282 4.568 265 1HG GLU 38 2HG GLU 38 -0.420 9.032 6.883 266 2HG GLU 38 1HG GLU 38 -1.393 10.048 5.820 267 H PHE 39 H PHE 39 0.775 7.272 2.304 268 HA PHE 39 HA PHE 39 1.677 9.457 0.787 269 1HB PHE 39 2HB PHE 39 2.498 6.850 1.253 270 2HB PHE 39 1HB PHE 39 2.101 6.856 -0.454 271 HD1 PHE 39 HD1 PHE 39 4.750 7.128 1.644 272 HD2 PHE 39 HD2 PHE 39 2.935 9.256 -1.563 273 HE1 PHE 39 HE1 PHE 39 6.907 8.203 1.141 274 HE2 PHE 39 HE2 PHE 39 5.086 10.332 -2.073 275 HZ PHE 39 HZ PHE 39 7.076 9.807 -0.720 276 H PHE 40 H PHE 40 -0.219 6.611 -0.199 277 HA PHE 40 HA PHE 40 -0.715 7.392 -2.819 278 1HB PHE 40 2HB PHE 40 -2.160 5.577 -0.916 279 2HB PHE 40 1HB PHE 40 -2.824 5.905 -2.510 280 HD1 PHE 40 HD1 PHE 40 0.726 5.471 -1.486 281 HD2 PHE 40 HD2 PHE 40 -2.575 3.917 -3.678 282 HE1 PHE 40 HE1 PHE 40 2.190 3.757 -2.473 283 HE2 PHE 40 HE2 PHE 40 -1.118 2.199 -4.664 284 HZ PHE 40 HZ PHE 40 1.266 2.121 -4.067 285 H THR 41 H THR 41 -2.742 7.921 0.079 286 HA THR 41 HA THR 41 -4.905 9.182 -1.022 287 HB THR 41 HB THR 41 -3.431 10.000 1.490 288 HG1 THR 41 HG1 THR 41 -4.238 8.104 2.036 289 1HG2 THR 41 1HG2 THR 41 -5.496 11.105 2.169 290 2HG2 THR 41 2HG2 THR 41 -6.237 10.697 0.622 291 3HG2 THR 41 3HG2 THR 41 -4.874 11.815 0.680 292 H LYS 42 H LYS 42 -1.822 10.737 -0.147 293 HA LYS 42 HA LYS 42 -2.304 13.330 -0.881 294 1HB LYS 42 2HB LYS 42 0.080 11.586 -0.839 295 2HB LYS 42 1HB LYS 42 0.220 13.036 -1.822 296 1HG LYS 42 2HG LYS 42 -0.168 14.446 0.038 297 2HG LYS 42 1HG LYS 42 -0.667 13.087 1.049 298 1HD LYS 42 2HD LYS 42 1.668 13.953 1.449 299 2HD LYS 42 1HD LYS 42 1.537 12.222 1.135 300 1HE LYS 42 2HE LYS 42 2.107 12.674 -1.244 301 2HE LYS 42 1HE LYS 42 2.374 14.365 -0.815 302 1HZ LYS 42 1HZ LYS 42 4.380 13.880 -0.048 303 2HZ LYS 42 2HZ LYS 42 4.208 12.319 -0.682 304 3HZ LYS 42 3HZ LYS 42 3.789 12.630 0.927 305 H SER 43 H SER 43 -1.790 10.568 -2.954 306 HA SER 43 HA SER 43 -1.233 11.739 -5.384 307 1HB SER 43 2HB SER 43 -3.043 9.365 -4.878 308 2HB SER 43 1HB SER 43 -2.289 9.764 -6.420 309 HG SER 43 HG SER 43 -1.157 8.743 -4.078 310 H LYS 44 H LYS 44 -4.466 11.089 -4.014 311 HA LYS 44 HA LYS 44 -5.870 13.274 -4.528 312 1HB LYS 44 2HB LYS 44 -4.898 12.421 -7.059 313 2HB LYS 44 1HB LYS 44 -6.630 12.149 -7.050 314 1HG LYS 44 2HG LYS 44 -7.020 14.298 -7.379 315 2HG LYS 44 1HG LYS 44 -6.069 14.737 -5.959 316 1HD LYS 44 2HD LYS 44 -4.314 15.363 -7.204 317 2HD LYS 44 1HD LYS 44 -4.431 13.939 -8.238 318 1HE LYS 44 2HE LYS 44 -4.769 15.990 -9.519 319 2HE LYS 44 1HE LYS 44 -6.226 14.998 -9.507 320 1HZ LYS 44 1HZ LYS 44 -6.526 16.640 -7.353 321 2HZ LYS 44 2HZ LYS 44 -7.266 16.839 -8.860 322 3HZ LYS 44 3HZ LYS 44 -5.824 17.653 -8.514 323 H LEU 45 H LEU 45 -5.991 9.894 -5.596 324 HA LEU 45 HA LEU 45 -8.747 9.519 -5.421 325 1HB LEU 45 2HB LEU 45 -6.503 7.539 -5.062 326 2HB LEU 45 1HB LEU 45 -8.192 7.093 -5.223 327 HG LEU 45 HG LEU 45 -6.529 8.503 -7.314 328 1HD1 LEU 45 1HD1 LEU 45 -5.901 6.482 -7.961 329 2HD1 LEU 45 2HD1 LEU 45 -7.592 6.037 -8.195 330 3HD1 LEU 45 3HD1 LEU 45 -6.812 5.755 -6.638 331 1HD2 LEU 45 1HD2 LEU 45 -8.993 9.091 -7.214 332 2HD2 LEU 45 2HD2 LEU 45 -9.313 7.405 -7.623 333 3HD2 LEU 45 3HD2 LEU 45 -8.408 8.427 -8.740 334 HA PRO 46 HA PRO 46 -9.555 9.612 -1.068 335 1HB PRO 46 2HB PRO 46 -11.994 8.402 -1.148 336 2HB PRO 46 1HB PRO 46 -11.730 10.083 -1.628 337 1HG PRO 46 2HG PRO 46 -11.934 7.633 -3.344 338 2HG PRO 46 1HG PRO 46 -12.676 9.227 -3.581 339 1HD PRO 46 2HD PRO 46 -10.454 8.485 -4.902 340 2HD PRO 46 1HD PRO 46 -10.713 10.161 -4.375 341 H ILE 47 H ILE 47 -9.136 8.293 0.603 342 HA ILE 47 HA ILE 47 -7.866 5.945 0.557 343 HB ILE 47 HB ILE 47 -9.992 6.440 2.644 344 1HG1 ILE 47 2HG1 ILE 47 -8.120 7.543 3.929 345 2HG1 ILE 47 1HG1 ILE 47 -7.184 7.552 2.439 346 1HG2 ILE 47 1HG2 ILE 47 -7.795 5.367 3.875 347 2HG2 ILE 47 2HG2 ILE 47 -7.801 4.540 2.318 348 3HG2 ILE 47 3HG2 ILE 47 -9.222 4.467 3.360 349 1HD1 ILE 47 1HD1 ILE 47 -9.894 8.804 2.526 350 2HD1 ILE 47 2HD1 ILE 47 -8.536 9.146 1.455 351 3HD1 ILE 47 3HD1 ILE 47 -8.483 9.667 3.137 352 H LEU 48 H LEU 48 -11.287 6.317 0.010 353 HA LEU 48 HA LEU 48 -12.341 3.864 0.534 354 1HB LEU 48 2HB LEU 48 -13.027 6.083 -1.061 355 2HB LEU 48 1HB LEU 48 -13.233 4.663 -2.069 356 HG LEU 48 HG LEU 48 -14.680 3.671 -0.315 357 1HD1 LEU 48 1HD1 LEU 48 -14.810 6.368 0.966 358 2HD1 LEU 48 2HD1 LEU 48 -13.592 5.196 1.470 359 3HD1 LEU 48 3HD1 LEU 48 -15.305 4.799 1.602 360 1HD2 LEU 48 1HD2 LEU 48 -16.501 4.623 -1.225 361 2HD2 LEU 48 2HD2 LEU 48 -15.327 5.452 -2.245 362 3HD2 LEU 48 3HD2 LEU 48 -15.981 6.258 -0.819 363 H GLU 49 H GLU 49 -11.601 4.495 -2.892 364 HA GLU 49 HA GLU 49 -11.354 1.833 -3.595 365 1HB GLU 49 2HB GLU 49 -10.573 4.390 -4.804 366 2HB GLU 49 1HB GLU 49 -9.641 3.004 -5.359 367 1HG GLU 49 2HG GLU 49 -11.820 1.857 -5.828 368 2HG GLU 49 1HG GLU 49 -12.615 3.396 -5.496 369 H LEU 50 H LEU 50 -8.924 4.006 -2.285 370 HA LEU 50 HA LEU 50 -6.599 2.609 -2.723 371 1HB LEU 50 2HB LEU 50 -7.568 4.295 -0.456 372 2HB LEU 50 1HB LEU 50 -6.041 3.450 -0.287 373 HG LEU 50 HG LEU 50 -5.166 4.609 -2.263 374 1HD1 LEU 50 1HD1 LEU 50 -7.486 4.863 -3.299 375 2HD1 LEU 50 2HD1 LEU 50 -6.353 6.200 -3.490 376 3HD1 LEU 50 3HD1 LEU 50 -7.641 6.301 -2.290 377 1HD2 LEU 50 1HD2 LEU 50 -4.732 5.657 -0.166 378 2HD2 LEU 50 2HD2 LEU 50 -6.343 6.374 -0.124 379 3HD2 LEU 50 3HD2 LEU 50 -5.163 6.923 -1.316 380 H SER 51 H SER 51 -9.167 1.903 -0.414 381 HA SER 51 HA SER 51 -7.827 -0.063 1.096 382 1HB SER 51 2HB SER 51 -9.980 0.917 1.781 383 2HB SER 51 1HB SER 51 -10.777 0.098 0.438 384 HG SER 51 HG SER 51 -10.888 -1.610 1.640 385 H HIS 52 H HIS 52 -9.909 -0.400 -1.778 386 HA HIS 52 HA HIS 52 -9.624 -3.216 -1.954 387 1HB HIS 52 2HB HIS 52 -11.478 -2.012 -3.021 388 2HB HIS 52 1HB HIS 52 -10.346 -1.221 -4.112 389 HD1 HIS 52 HD1 HIS 52 -11.223 -4.844 -3.240 390 HD2 HIS 52 HD2 HIS 52 -10.239 -2.441 -6.480 391 HE1 HIS 52 HE1 HIS 52 -11.297 -6.337 -5.277 392 H ILE 53 H ILE 53 -7.896 -0.511 -3.473 393 HA ILE 53 HA ILE 53 -6.317 -1.925 -5.270 394 HB ILE 53 HB ILE 53 -5.443 0.457 -3.613 395 1HG1 ILE 53 2HG1 ILE 53 -6.779 0.356 -6.327 396 2HG1 ILE 53 1HG1 ILE 53 -7.562 0.841 -4.826 397 1HG2 ILE 53 1HG2 ILE 53 -4.367 -0.810 -6.111 398 2HG2 ILE 53 2HG2 ILE 53 -3.511 -0.382 -4.629 399 3HG2 ILE 53 3HG2 ILE 53 -4.063 0.882 -5.725 400 1HD1 ILE 53 1HD1 ILE 53 -5.164 2.363 -5.256 401 2HD1 ILE 53 2HD1 ILE 53 -6.825 2.914 -5.045 402 3HD1 ILE 53 3HD1 ILE 53 -6.240 2.471 -6.649 403 H TRP 54 H TRP 54 -5.729 -1.296 -1.800 404 HA TRP 54 HA TRP 54 -3.202 -2.430 -1.593 405 1HB TRP 54 2HB TRP 54 -4.237 -1.243 0.267 406 2HB TRP 54 1HB TRP 54 -5.425 -2.535 0.449 407 HD1 TRP 54 HD1 TRP 54 -4.629 -4.795 1.580 408 HE1 TRP 54 HE1 TRP 54 -2.556 -5.405 2.970 409 HE3 TRP 54 HE3 TRP 54 -1.696 -0.729 0.534 410 HZ2 TRP 54 HZ2 TRP 54 -0.020 -4.313 3.565 411 HZ3 TRP 54 HZ3 TRP 54 0.531 -0.585 1.569 412 HH2 TRP 54 HH2 TRP 54 1.354 -2.342 3.045 413 H GLU 55 H GLU 55 -6.325 -4.113 -1.010 414 HA GLU 55 HA GLU 55 -5.330 -6.624 -0.485 415 1HB GLU 55 2HB GLU 55 -7.806 -5.842 -2.020 416 2HB GLU 55 1HB GLU 55 -7.447 -7.504 -1.579 417 1HG GLU 55 2HG GLU 55 -7.817 -5.220 0.350 418 2HG GLU 55 1HG GLU 55 -9.026 -6.440 -0.042 419 H LEU 56 H LEU 56 -6.212 -5.343 -3.684 420 HA LEU 56 HA LEU 56 -5.235 -7.561 -5.128 421 1HB LEU 56 2HB LEU 56 -6.049 -4.772 -5.787 422 2HB LEU 56 1HB LEU 56 -5.148 -5.662 -6.994 423 HG LEU 56 HG LEU 56 -7.577 -5.793 -7.353 424 1HD1 LEU 56 1HD1 LEU 56 -7.208 -7.767 -8.281 425 2HD1 LEU 56 2HD1 LEU 56 -7.268 -8.558 -6.706 426 3HD1 LEU 56 3HD1 LEU 56 -5.740 -7.920 -7.313 427 1HD2 LEU 56 1HD2 LEU 56 -8.250 -5.650 -4.988 428 2HD2 LEU 56 2HD2 LEU 56 -7.646 -7.288 -4.737 429 3HD2 LEU 56 3HD2 LEU 56 -9.006 -7.007 -5.825 430 H SER 57 H SER 57 -3.706 -4.668 -3.936 431 HA SER 57 HA SER 57 -1.326 -4.901 -5.486 432 1HB SER 57 2HB SER 57 -1.875 -3.381 -2.923 433 2HB SER 57 1HB SER 57 -0.424 -3.210 -3.900 434 HG SER 57 HG SER 57 -3.081 -2.655 -4.729 435 H ASP 58 H ASP 58 -2.299 -6.089 -2.305 436 HA ASP 58 HA ASP 58 0.414 -7.125 -1.859 437 1HB ASP 58 2HB ASP 58 -0.874 -5.791 -0.110 438 2HB ASP 58 1HB ASP 58 -1.875 -7.219 0.095 439 H PHE 59 H PHE 59 -0.432 -8.621 -3.808 440 HA PHE 59 HA PHE 59 -2.170 -10.724 -3.396 441 1HB PHE 59 2HB PHE 59 0.247 -10.364 -5.083 442 2HB PHE 59 1HB PHE 59 -0.338 -12.005 -4.862 443 HD1 PHE 59 HD1 PHE 59 -0.593 -9.110 -6.823 444 HD2 PHE 59 HD2 PHE 59 -2.900 -12.332 -5.276 445 HE1 PHE 59 HE1 PHE 59 -2.254 -8.772 -8.607 446 HE2 PHE 59 HE2 PHE 59 -4.565 -12.000 -7.052 447 HZ PHE 59 HZ PHE 59 -4.246 -10.219 -8.723 448 H ASP 60 H ASP 60 0.530 -10.113 -1.484 449 HA ASP 60 HA ASP 60 0.988 -12.957 -0.939 450 1HB ASP 60 2HB ASP 60 2.849 -12.097 0.501 451 2HB ASP 60 1HB ASP 60 2.989 -11.660 -1.204 452 H LYS 61 H LYS 61 -0.480 -10.112 0.471 453 HA LYS 61 HA LYS 61 -1.806 -9.854 2.318 454 1HB LYS 61 2HB LYS 61 -1.706 -12.855 2.176 455 2HB LYS 61 1HB LYS 61 -2.511 -12.042 3.513 456 1HG LYS 61 2HG LYS 61 -3.168 -11.642 0.604 457 2HG LYS 61 1HG LYS 61 -4.062 -12.680 1.721 458 1HD LYS 61 2HD LYS 61 -3.668 -9.701 1.981 459 2HD LYS 61 1HD LYS 61 -5.161 -10.519 1.502 460 1HE LYS 61 2HE LYS 61 -5.225 -11.645 3.687 461 2HE LYS 61 1HE LYS 61 -3.751 -10.796 4.158 462 1HZ LYS 61 1HZ LYS 61 -5.014 -9.132 4.849 463 2HZ LYS 61 2HZ LYS 61 -6.419 -9.899 4.293 464 3HZ LYS 61 3HZ LYS 61 -5.549 -8.880 3.259 465 H ASP 62 H ASP 62 0.904 -9.430 2.638 466 HA ASP 62 HA ASP 62 1.590 -10.716 5.193 467 1HB ASP 62 2HB ASP 62 3.815 -10.079 4.836 468 2HB ASP 62 1HB ASP 62 3.240 -10.446 3.212 469 H GLY 63 H GLY 63 0.491 -7.723 3.876 470 1HA GLY 63 2HA GLY 63 -0.486 -6.014 5.205 471 2HA GLY 63 1HA GLY 63 0.457 -6.581 6.578 472 H ALA 64 H ALA 64 2.337 -6.524 3.847 473 HA ALA 64 HA ALA 64 3.188 -3.749 4.185 474 1HB ALA 64 1HB ALA 64 4.931 -4.391 5.433 475 2HB ALA 64 2HB ALA 64 5.595 -5.070 3.947 476 3HB ALA 64 3HB ALA 64 4.682 -6.095 5.052 477 H LEU 65 H LEU 65 3.911 -2.818 2.332 478 HA LEU 65 HA LEU 65 3.666 -4.393 -0.104 479 1HB LEU 65 2HB LEU 65 3.149 -1.654 0.664 480 2HB LEU 65 1HB LEU 65 4.137 -1.729 -0.781 481 HG LEU 65 HG LEU 65 2.468 -3.006 -1.945 482 1HD1 LEU 65 1HD1 LEU 65 1.566 -3.620 0.698 483 2HD1 LEU 65 2HD1 LEU 65 1.153 -4.385 -0.837 484 3HD1 LEU 65 3HD1 LEU 65 0.236 -2.989 -0.273 485 1HD2 LEU 65 1HD2 LEU 65 1.304 -1.184 -2.454 486 2HD2 LEU 65 2HD2 LEU 65 2.105 -0.383 -1.102 487 3HD2 LEU 65 3HD2 LEU 65 0.536 -1.155 -0.867 488 H THR 66 H THR 66 5.379 -5.143 -1.064 489 HA THR 66 HA THR 66 8.025 -4.102 -0.457 490 HB THR 66 HB THR 66 8.866 -6.043 -1.680 491 HG1 THR 66 HG1 THR 66 6.147 -6.816 -2.071 492 1HG2 THR 66 1HG2 THR 66 7.170 -7.731 -0.301 493 2HG2 THR 66 2HG2 THR 66 7.033 -6.208 0.579 494 3HG2 THR 66 3HG2 THR 66 8.613 -6.959 0.353 495 H LEU 67 H LEU 67 9.547 -3.796 -2.303 496 HA LEU 67 HA LEU 67 8.831 -1.768 -3.956 497 1HB LEU 67 2HB LEU 67 11.139 -2.602 -3.628 498 2HB LEU 67 1HB LEU 67 10.774 -3.974 -4.657 499 HG LEU 67 HG LEU 67 12.074 -2.201 -5.800 500 1HD1 LEU 67 1HD1 LEU 67 9.516 -2.117 -7.243 501 2HD1 LEU 67 2HD1 LEU 67 10.079 -3.726 -6.792 502 3HD1 LEU 67 3HD1 LEU 67 11.103 -2.676 -7.770 503 1HD2 LEU 67 1HD2 LEU 67 10.643 -0.398 -4.504 504 2HD2 LEU 67 2HD2 LEU 67 9.644 -0.497 -5.954 505 3HD2 LEU 67 3HD2 LEU 67 11.346 -0.057 -6.085 506 H ASP 68 H ASP 68 8.418 -5.230 -4.584 507 HA ASP 68 HA ASP 68 7.592 -5.100 -7.261 508 1HB ASP 68 2HB ASP 68 7.754 -7.042 -5.223 509 2HB ASP 68 1HB ASP 68 6.086 -7.058 -5.771 510 H GLU 69 H GLU 69 5.620 -5.192 -4.319 511 HA GLU 69 HA GLU 69 3.171 -4.723 -5.577 512 1HB GLU 69 2HB GLU 69 4.078 -4.122 -2.759 513 2HB GLU 69 1HB GLU 69 2.401 -4.128 -3.303 514 1HG GLU 69 2HG GLU 69 2.337 -6.414 -3.537 515 2HG GLU 69 1HG GLU 69 4.073 -6.536 -3.784 516 H PHE 70 H PHE 70 5.555 -2.527 -4.154 517 HA PHE 70 HA PHE 70 4.188 -0.122 -4.395 518 1HB PHE 70 2HB PHE 70 6.335 -0.113 -3.336 519 2HB PHE 70 1HB PHE 70 7.105 -0.828 -4.747 520 HD1 PHE 70 HD1 PHE 70 8.799 0.877 -4.844 521 HD2 PHE 70 HD2 PHE 70 4.666 1.862 -5.102 522 HE1 PHE 70 HE1 PHE 70 9.386 3.106 -5.698 523 HE2 PHE 70 HE2 PHE 70 5.244 4.096 -5.950 524 HZ PHE 70 HZ PHE 70 7.611 4.723 -6.239 525 H CYS 71 H CYS 71 6.300 -1.742 -6.722 526 HA CYS 71 HA CYS 71 6.016 -0.033 -8.890 527 1HB CYS 71 2HB CYS 71 6.710 -2.914 -8.564 528 2HB CYS 71 1HB CYS 71 6.437 -2.297 -10.184 529 HG CYS 71 HG CYS 71 8.641 -0.768 -8.084 530 H ALA 72 H ALA 72 4.198 -3.049 -8.267 531 HA ALA 72 HA ALA 72 2.479 -2.699 -10.495 532 1HB ALA 72 1HB ALA 72 1.061 -4.425 -9.236 533 2HB ALA 72 2HB ALA 72 2.383 -4.451 -8.068 534 3HB ALA 72 3HB ALA 72 2.682 -4.890 -9.750 535 H ALA 73 H ALA 73 1.807 -2.305 -7.014 536 HA ALA 73 HA ALA 73 -0.810 -1.436 -7.216 537 1HB ALA 73 1HB ALA 73 1.151 -0.505 -5.133 538 2HB ALA 73 2HB ALA 73 0.388 -2.095 -5.131 539 3HB ALA 73 3HB ALA 73 -0.601 -0.643 -4.980 540 H PHE 74 H PHE 74 2.082 0.649 -6.877 541 HA PHE 74 HA PHE 74 0.795 3.095 -7.021 542 1HB PHE 74 2HB PHE 74 3.285 2.566 -6.618 543 2HB PHE 74 1HB PHE 74 3.444 2.596 -8.371 544 HD1 PHE 74 HD1 PHE 74 3.911 4.587 -9.425 545 HD2 PHE 74 HD2 PHE 74 2.171 4.654 -5.543 546 HE1 PHE 74 HE1 PHE 74 4.178 7.031 -9.353 547 HE2 PHE 74 HE2 PHE 74 2.430 7.099 -5.464 548 HZ PHE 74 HZ PHE 74 3.435 8.291 -7.371 549 H HIS 75 H HIS 75 2.121 1.158 -9.687 550 HA HIS 75 HA HIS 75 1.379 2.845 -11.803 551 1HB HIS 75 2HB HIS 75 2.727 0.499 -11.575 552 2HB HIS 75 1HB HIS 75 1.224 -0.063 -12.278 553 HD1 HIS 75 HD1 HIS 75 0.515 1.459 -14.542 554 HD2 HIS 75 HD2 HIS 75 4.512 1.255 -13.429 555 HE1 HIS 75 HE1 HIS 75 1.855 2.082 -16.593 556 H LEU 76 H LEU 76 -0.223 -0.068 -10.571 557 HA LEU 76 HA LEU 76 -2.487 -0.049 -12.122 558 1HB LEU 76 2HB LEU 76 -1.721 -1.750 -10.387 559 2HB LEU 76 1HB LEU 76 -2.518 -0.737 -9.195 560 HG LEU 76 HG LEU 76 -3.860 -2.037 -11.555 561 1HD1 LEU 76 1HD1 LEU 76 -4.299 -3.826 -10.295 562 2HD1 LEU 76 2HD1 LEU 76 -4.698 -2.840 -8.888 563 3HD1 LEU 76 3HD1 LEU 76 -3.016 -3.244 -9.234 564 1HD2 LEU 76 1HD2 LEU 76 -4.960 -0.427 -9.259 565 2HD2 LEU 76 2HD2 LEU 76 -5.943 -1.352 -10.395 566 3HD2 LEU 76 3HD2 LEU 76 -4.978 0.007 -10.969 567 H VAL 77 H VAL 77 -1.936 1.649 -9.059 568 HA VAL 77 HA VAL 77 -4.473 2.820 -8.822 569 HB VAL 77 HB VAL 77 -1.809 3.898 -7.890 570 1HG1 VAL 77 1HG1 VAL 77 -4.618 4.654 -7.102 571 2HG1 VAL 77 2HG1 VAL 77 -3.433 5.674 -7.918 572 3HG1 VAL 77 3HG1 VAL 77 -3.161 5.167 -6.249 573 1HG2 VAL 77 1HG2 VAL 77 -2.214 1.740 -6.928 574 2HG2 VAL 77 2HG2 VAL 77 -3.873 2.176 -6.527 575 3HG2 VAL 77 3HG2 VAL 77 -2.529 2.959 -5.695 576 H VAL 78 H VAL 78 -1.475 4.182 -10.164 577 HA VAL 78 HA VAL 78 -2.371 6.629 -11.021 578 HB VAL 78 HB VAL 78 -0.538 4.739 -12.489 579 1HG1 VAL 78 1HG1 VAL 78 -0.556 6.221 -14.155 580 2HG1 VAL 78 2HG1 VAL 78 0.190 7.376 -13.050 581 3HG1 VAL 78 3HG1 VAL 78 -1.565 7.334 -13.229 582 1HG2 VAL 78 1HG2 VAL 78 0.670 5.090 -10.622 583 2HG2 VAL 78 2HG2 VAL 78 -0.217 6.552 -10.193 584 3HG2 VAL 78 3HG2 VAL 78 1.059 6.619 -11.408 585 H ALA 79 H ALA 79 -2.508 3.586 -12.854 586 HA ALA 79 HA ALA 79 -3.775 4.499 -15.145 587 1HB ALA 79 1HB ALA 79 -3.837 1.861 -13.729 588 2HB ALA 79 2HB ALA 79 -2.961 2.316 -15.190 589 3HB ALA 79 3HB ALA 79 -4.713 2.122 -15.237 590 H ARG 80 H ARG 80 -5.085 3.828 -11.986 591 HA ARG 80 HA ARG 80 -7.759 3.521 -12.455 592 1HB ARG 80 2HB ARG 80 -6.427 3.745 -10.222 593 2HB ARG 80 1HB ARG 80 -6.923 5.434 -10.308 594 1HG ARG 80 2HG ARG 80 -8.599 4.468 -9.061 595 2HG ARG 80 1HG ARG 80 -9.281 4.468 -10.687 596 1HD ARG 80 2HD ARG 80 -8.457 2.227 -8.988 597 2HD ARG 80 1HD ARG 80 -9.688 2.295 -10.249 598 HE ARG 80 HE ARG 80 -6.968 2.305 -11.254 599 1HH1 ARG 80 2HH1 ARG 80 -9.654 0.454 -10.183 600 2HH1 ARG 80 1HH1 ARG 80 -9.259 -0.931 -11.128 601 1HH2 ARG 80 1HH2 ARG 80 -6.406 0.512 -12.522 602 2HH2 ARG 80 2HH2 ARG 80 -7.384 -0.908 -12.474 603 H LYS 81 H LYS 81 -5.865 6.465 -12.795 604 HA LYS 81 HA LYS 81 -7.794 8.414 -12.783 605 1HB LYS 81 2HB LYS 81 -5.225 8.034 -14.142 606 2HB LYS 81 1HB LYS 81 -6.299 9.161 -14.961 607 1HG LYS 81 2HG LYS 81 -4.770 10.277 -13.406 608 2HG LYS 81 1HG LYS 81 -6.460 10.507 -12.956 609 1HD LYS 81 2HD LYS 81 -6.248 8.738 -11.274 610 2HD LYS 81 1HD LYS 81 -4.557 8.509 -11.729 611 1HE LYS 81 2HE LYS 81 -4.092 10.839 -11.075 612 2HE LYS 81 1HE LYS 81 -5.772 11.021 -10.572 613 1HZ LYS 81 1HZ LYS 81 -5.175 10.247 -8.598 614 2HZ LYS 81 2HZ LYS 81 -3.600 9.930 -9.134 615 3HZ LYS 81 3HZ LYS 81 -4.803 8.754 -9.308 616 H ASN 82 H ASN 82 -7.053 6.139 -15.351 617 HA ASN 82 HA ASN 82 -9.592 6.884 -16.642 618 1HB ASN 82 2HB ASN 82 -7.012 6.021 -17.953 619 2HB ASN 82 1HB ASN 82 -8.549 6.194 -18.801 620 1HD2 ASN 82 1HD2 ASN 82 -8.715 8.040 -19.853 621 2HD2 ASN 82 2HD2 ASN 82 -8.034 9.550 -19.364 622 H GLY 83 H GLY 83 -9.377 5.025 -14.610 623 1HA GLY 83 2HA GLY 83 -9.778 2.462 -16.035 624 2HA GLY 83 1HA GLY 83 -9.166 2.579 -14.392 625 H TYR 84 H TYR 84 -11.987 3.699 -16.269 626 HA TYR 84 HA TYR 84 -13.763 4.186 -14.284 627 1HB TYR 84 2HB TYR 84 -14.218 2.867 -16.954 628 2HB TYR 84 1HB TYR 84 -15.552 3.224 -15.869 629 HD1 TYR 84 HD1 TYR 84 -16.763 5.014 -16.656 630 HD2 TYR 84 HD2 TYR 84 -12.521 5.179 -16.941 631 HE1 TYR 84 HE1 TYR 84 -16.917 7.281 -17.593 632 HE2 TYR 84 HE2 TYR 84 -12.665 7.444 -17.872 633 HH TYR 84 HH TYR 84 -15.769 8.923 -18.660 634 H ASP 85 H ASP 85 -13.608 0.969 -15.849 635 HA ASP 85 HA ASP 85 -15.043 -0.265 -13.690 636 1HB ASP 85 2HB ASP 85 -14.971 -0.959 -16.195 637 2HB ASP 85 1HB ASP 85 -13.487 -1.798 -15.748 638 H LEU 86 H LEU 86 -14.134 -2.250 -12.555 639 HA LEU 86 HA LEU 86 -11.240 -2.120 -12.126 640 1HB LEU 86 2HB LEU 86 -13.220 -2.000 -9.851 641 2HB LEU 86 1HB LEU 86 -11.478 -2.096 -9.699 642 HG LEU 86 HG LEU 86 -11.355 0.131 -10.889 643 1HD1 LEU 86 1HD1 LEU 86 -14.232 0.457 -10.129 644 2HD1 LEU 86 2HD1 LEU 86 -13.785 -0.149 -11.719 645 3HD1 LEU 86 3HD1 LEU 86 -13.244 1.445 -11.204 646 1HD2 LEU 86 1HD2 LEU 86 -12.933 0.531 -8.414 647 2HD2 LEU 86 2HD2 LEU 86 -11.383 1.221 -8.898 648 3HD2 LEU 86 3HD2 LEU 86 -11.462 -0.436 -8.298 649 HA PRO 87 HA PRO 87 -12.197 -6.513 -12.383 650 1HB PRO 87 2HB PRO 87 -9.595 -7.321 -12.430 651 2HB PRO 87 1HB PRO 87 -10.464 -6.742 -13.854 652 1HG PRO 87 2HG PRO 87 -8.531 -5.302 -12.092 653 2HG PRO 87 1HG PRO 87 -8.709 -5.234 -13.853 654 1HD PRO 87 2HD PRO 87 -9.664 -3.307 -12.194 655 2HD PRO 87 1HD PRO 87 -10.424 -3.709 -13.747 656 H GLU 88 H GLU 88 -12.837 -5.867 -9.952 657 HA GLU 88 HA GLU 88 -11.329 -6.100 -7.748 658 1HB GLU 88 2HB GLU 88 -13.868 -7.691 -8.145 659 2HB GLU 88 1HB GLU 88 -13.165 -7.233 -6.602 660 1HG GLU 88 2HG GLU 88 -13.543 -4.876 -7.132 661 2HG GLU 88 1HG GLU 88 -14.265 -5.349 -8.672 662 H LYS 89 H LYS 89 -12.661 -9.037 -9.320 663 HA LYS 89 HA LYS 89 -12.076 -11.243 -9.078 664 1HB LYS 89 2HB LYS 89 -9.488 -9.864 -9.772 665 2HB LYS 89 1HB LYS 89 -9.610 -11.614 -9.663 666 1HG LYS 89 2HG LYS 89 -11.177 -9.840 -11.525 667 2HG LYS 89 1HG LYS 89 -9.818 -10.879 -11.965 668 1HD LYS 89 2HD LYS 89 -11.177 -12.804 -11.061 669 2HD LYS 89 1HD LYS 89 -12.552 -11.702 -11.005 670 1HE LYS 89 2HE LYS 89 -12.744 -12.842 -13.054 671 2HE LYS 89 1HE LYS 89 -12.088 -11.256 -13.464 672 1HZ LYS 89 1HZ LYS 89 -9.896 -12.211 -13.613 673 2HZ LYS 89 2HZ LYS 89 -10.948 -13.077 -14.616 674 3HZ LYS 89 3HZ LYS 89 -10.474 -13.728 -13.127 675 H LEU 90 H LEU 90 -11.894 -9.560 -6.569 676 HA LEU 90 HA LEU 90 -9.728 -10.551 -5.013 677 1HB LEU 90 2HB LEU 90 -11.690 -8.616 -4.707 678 2HB LEU 90 1HB LEU 90 -12.107 -9.811 -3.494 679 HG LEU 90 HG LEU 90 -9.429 -8.430 -3.740 680 1HD1 LEU 90 1HD1 LEU 90 -11.907 -7.661 -2.489 681 2HD1 LEU 90 2HD1 LEU 90 -10.407 -6.751 -2.666 682 3HD1 LEU 90 3HD1 LEU 90 -10.622 -7.839 -1.294 683 1HD2 LEU 90 1HD2 LEU 90 -9.060 -10.569 -2.786 684 2HD2 LEU 90 2HD2 LEU 90 -10.497 -10.441 -1.773 685 3HD2 LEU 90 3HD2 LEU 90 -9.095 -9.419 -1.449 686 HA PRO 91 HA PRO 91 -12.903 -13.668 -3.221 687 1HB PRO 91 2HB PRO 91 -15.343 -13.880 -4.346 688 2HB PRO 91 1HB PRO 91 -14.980 -12.681 -3.099 689 1HG PRO 91 2HG PRO 91 -15.156 -12.340 -6.064 690 2HG PRO 91 1HG PRO 91 -15.747 -11.273 -4.777 691 1HD PRO 91 2HD PRO 91 -13.412 -10.863 -6.149 692 2HD PRO 91 1HD PRO 91 -13.703 -10.280 -4.498 693 H GLU 92 H GLU 92 -11.250 -13.784 -5.691 694 HA GLU 92 HA GLU 92 -12.502 -15.923 -7.235 695 1HB GLU 92 2HB GLU 92 -9.844 -14.512 -7.548 696 2HB GLU 92 1HB GLU 92 -10.417 -15.786 -8.615 697 1HG GLU 92 2HG GLU 92 -12.332 -13.618 -8.296 698 2HG GLU 92 1HG GLU 92 -10.787 -13.089 -8.958 699 H SER 93 H SER 93 -9.228 -15.524 -5.879 700 HA SER 93 HA SER 93 -9.426 -18.184 -4.673 701 1HB SER 93 2HB SER 93 -7.176 -18.779 -5.601 702 2HB SER 93 1HB SER 93 -8.446 -18.655 -6.819 703 HG SER 93 HG SER 93 -7.064 -17.361 -7.745 704 H LEU 94 H LEU 94 -9.019 -15.177 -3.923 705 HA LEU 94 HA LEU 94 -6.579 -15.534 -2.337 706 1HB LEU 94 2HB LEU 94 -8.084 -13.055 -3.133 707 2HB LEU 94 1HB LEU 94 -6.783 -13.046 -1.957 708 HG LEU 94 HG LEU 94 -5.270 -13.979 -3.716 709 1HD1 LEU 94 1HD1 LEU 94 -5.929 -13.949 -6.016 710 2HD1 LEU 94 2HD1 LEU 94 -7.514 -13.295 -5.601 711 3HD1 LEU 94 3HD1 LEU 94 -7.082 -14.935 -5.117 712 1HD2 LEU 94 1HD2 LEU 94 -4.692 -11.841 -3.822 713 2HD2 LEU 94 2HD2 LEU 94 -6.343 -11.325 -3.478 714 3HD2 LEU 94 3HD2 LEU 94 -5.846 -11.641 -5.140 715 H MET 95 H MET 95 -9.895 -14.246 -1.925 716 HA MET 95 HA MET 95 -9.595 -14.576 0.961 717 1HB MET 95 2HB MET 95 -11.407 -12.994 -0.778 718 2HB MET 95 1HB MET 95 -12.034 -13.523 0.777 719 1HG MET 95 2HG MET 95 -10.078 -12.472 1.866 720 2HG MET 95 1HG MET 95 -9.578 -11.854 0.294 721 1HE MET 95 1HE MET 95 -9.540 -9.352 1.106 722 2HE MET 95 2HE MET 95 -9.922 -9.928 2.730 723 3HE MET 95 3HE MET 95 -10.846 -8.605 2.022 724 HA PRO 96 HA PRO 96 -11.800 -18.529 -0.183 725 1HB PRO 96 2HB PRO 96 -10.778 -19.797 2.063 726 2HB PRO 96 1HB PRO 96 -10.073 -19.871 0.446 727 1HG PRO 96 2HG PRO 96 -9.318 -18.152 2.767 728 2HG PRO 96 1HG PRO 96 -8.275 -18.955 1.578 729 1HD PRO 96 2HD PRO 96 -8.791 -16.329 1.443 730 2HD PRO 96 1HD PRO 96 -8.635 -17.317 -0.025 731 H LYS 97 HN LYS 97 -13.810 -18.883 0.520 732 HA LYS 97 HA LYS 97 -14.540 -17.995 3.236 733 1HB LYS 97 2HB LYS 97 -16.052 -17.685 0.645 734 2HB LYS 97 1HB LYS 97 -16.818 -17.510 2.217 735 1HG LYS 97 2HG LYS 97 -15.757 -15.536 2.673 736 2HG LYS 97 1HG LYS 97 -14.382 -15.909 1.629 737 1HD LYS 97 2HD LYS 97 -15.456 -15.208 -0.267 738 2HD LYS 97 1HD LYS 97 -17.057 -15.596 0.366 739 1HE LYS 97 2HE LYS 97 -15.382 -13.340 1.438 740 2HE LYS 97 1HE LYS 97 -16.509 -13.135 0.097 741 1HZ LYS 97 1HZ LYS 97 -17.198 -12.776 2.626 742 2HZ LYS 97 2HZ LYS 97 -17.552 -14.424 2.491 743 3HZ LYS 97 3HZ LYS 97 -18.290 -13.314 1.450 Start of MODEL 28 1 1H TRP 6 1H TRP 6 0.066 -0.048 -23.127 2 2H TRP 6 2H TRP 6 -1.478 0.213 -22.483 3 3H TRP 6 3H TRP 6 -0.581 -1.136 -22.000 4 HA TRP 6 HA TRP 6 0.696 1.434 -21.593 5 1HB TRP 6 2HB TRP 6 -0.650 1.943 -19.602 6 2HB TRP 6 1HB TRP 6 -1.648 1.936 -21.053 7 HD1 TRP 6 HD1 TRP 6 -3.254 -0.259 -21.394 8 HE1 TRP 6 HE1 TRP 6 -4.373 -1.770 -19.640 9 HE3 TRP 6 HE3 TRP 6 -0.428 0.984 -17.311 10 HZ2 TRP 6 HZ2 TRP 6 -4.108 -2.355 -16.897 11 HZ3 TRP 6 HZ3 TRP 6 -0.939 -0.099 -15.152 12 HH2 TRP 6 HH2 TRP 6 -2.739 -1.729 -14.955 13 H LYS 7 H LYS 7 1.747 -1.162 -21.790 14 HA LYS 7 HA LYS 7 1.988 -2.575 -19.386 15 1HB LYS 7 2HB LYS 7 3.556 -2.368 -21.895 16 2HB LYS 7 1HB LYS 7 4.396 -3.020 -20.499 17 1HG LYS 7 2HG LYS 7 1.759 -4.203 -20.966 18 2HG LYS 7 1HG LYS 7 2.929 -4.475 -22.262 19 1HD LYS 7 2HD LYS 7 3.448 -6.247 -20.915 20 2HD LYS 7 1HD LYS 7 4.518 -5.030 -20.219 21 1HE LYS 7 2HE LYS 7 3.473 -6.026 -18.373 22 2HE LYS 7 1HE LYS 7 2.607 -4.508 -18.615 23 1HZ LYS 7 1HZ LYS 7 1.665 -7.071 -19.762 24 2HZ LYS 7 2HZ LYS 7 0.800 -5.629 -19.582 25 3HZ LYS 7 3HZ LYS 7 1.203 -6.546 -18.220 26 H ILE 8 H ILE 8 4.371 -2.787 -18.412 27 HA ILE 8 HA ILE 8 4.856 -0.296 -17.066 28 HB ILE 8 HB ILE 8 6.346 -2.915 -16.896 29 1HG1 ILE 8 2HG1 ILE 8 4.196 -1.748 -15.115 30 2HG1 ILE 8 1HG1 ILE 8 3.986 -3.099 -16.224 31 1HG2 ILE 8 1HG2 ILE 8 6.910 -0.319 -15.830 32 2HG2 ILE 8 2HG2 ILE 8 7.842 -1.812 -15.689 33 3HG2 ILE 8 3HG2 ILE 8 6.574 -1.447 -14.517 34 1HD1 ILE 8 1HD1 ILE 8 5.932 -4.152 -14.848 35 2HD1 ILE 8 2HD1 ILE 8 4.282 -4.182 -14.227 36 3HD1 ILE 8 3HD1 ILE 8 5.430 -2.985 -13.626 37 H THR 9 H THR 9 6.465 1.159 -17.441 38 HA THR 9 HA THR 9 8.577 0.374 -19.351 39 HB THR 9 HB THR 9 7.480 3.176 -19.263 40 HG1 THR 9 HG1 THR 9 5.730 2.107 -20.026 41 1HG2 THR 9 1HG2 THR 9 9.284 1.608 -21.072 42 2HG2 THR 9 2HG2 THR 9 9.560 3.172 -20.306 43 3HG2 THR 9 3HG2 THR 9 8.439 3.040 -21.660 44 H ASP 10 H ASP 10 10.621 1.116 -18.922 45 HA ASP 10 HA ASP 10 11.435 1.557 -16.375 46 1HB ASP 10 2HB ASP 10 12.612 1.677 -18.946 47 2HB ASP 10 1HB ASP 10 13.123 3.120 -18.070 48 H GLU 11 H GLU 11 10.601 4.111 -18.738 49 HA GLU 11 HA GLU 11 11.203 6.338 -17.241 50 1HB GLU 11 2HB GLU 11 9.409 5.692 -19.456 51 2HB GLU 11 1HB GLU 11 8.857 7.047 -18.492 52 1HG GLU 11 2HG GLU 11 10.185 7.810 -20.365 53 2HG GLU 11 1HG GLU 11 10.996 8.175 -18.844 54 H GLN 12 H GLN 12 8.025 4.672 -17.304 55 HA GLN 12 HA GLN 12 6.852 6.178 -15.234 56 1HB GLN 12 2HB GLN 12 6.323 3.423 -16.341 57 2HB GLN 12 1HB GLN 12 5.328 4.153 -15.103 58 1HG GLN 12 2HG GLN 12 4.656 5.907 -16.582 59 2HG GLN 12 1HG GLN 12 5.803 5.357 -17.802 60 1HE2 GLN 12 1HE2 GLN 12 2.636 5.145 -16.697 61 2HE2 GLN 12 2HE2 GLN 12 2.132 3.801 -17.653 62 H ARG 13 H ARG 13 8.323 2.970 -15.306 63 HA ARG 13 HA ARG 13 8.072 2.190 -12.701 64 1HB ARG 13 2HB ARG 13 9.215 1.088 -14.818 65 2HB ARG 13 1HB ARG 13 10.688 1.701 -14.078 66 1HG ARG 13 2HG ARG 13 10.276 0.433 -12.087 67 2HG ARG 13 1HG ARG 13 8.709 -0.096 -12.698 68 1HD ARG 13 2HD ARG 13 9.916 -1.919 -13.290 69 2HD ARG 13 1HD ARG 13 10.228 -0.931 -14.714 70 HE ARG 13 HE ARG 13 12.203 -0.412 -12.818 71 1HH1 ARG 13 2HH1 ARG 13 11.155 -2.880 -14.992 72 2HH1 ARG 13 1HH1 ARG 13 12.677 -3.692 -15.013 73 1HH2 ARG 13 1HH2 ARG 13 14.207 -1.487 -12.819 74 2HH2 ARG 13 2HH2 ARG 13 14.392 -2.922 -13.766 75 H GLN 14 H GLN 14 10.840 4.026 -14.050 76 HA GLN 14 HA GLN 14 12.007 4.504 -11.512 77 1HB GLN 14 2HB GLN 14 13.438 6.111 -12.678 78 2HB GLN 14 1HB GLN 14 13.373 4.575 -13.519 79 1HG GLN 14 2HG GLN 14 11.925 5.491 -15.191 80 2HG GLN 14 1HG GLN 14 11.753 6.995 -14.290 81 1HE2 GLN 14 1HE2 GLN 14 12.810 8.555 -15.307 82 2HE2 GLN 14 2HE2 GLN 14 14.375 8.423 -16.022 83 H TYR 15 H TYR 15 9.693 6.214 -13.503 84 HA TYR 15 HA TYR 15 9.713 8.701 -12.266 85 1HB TYR 15 2HB TYR 15 8.359 8.181 -14.261 86 2HB TYR 15 1HB TYR 15 7.319 7.151 -13.281 87 HD1 TYR 15 HD1 TYR 15 5.341 8.055 -12.512 88 HD2 TYR 15 HD2 TYR 15 8.617 10.655 -13.295 89 HE1 TYR 15 HE1 TYR 15 3.931 9.991 -11.948 90 HE2 TYR 15 HE2 TYR 15 7.219 12.598 -12.734 91 HH TYR 15 HH TYR 15 4.046 12.245 -11.346 92 H TYR 16 H TYR 16 8.116 5.695 -11.346 93 HA TYR 16 HA TYR 16 6.749 6.779 -9.083 94 1HB TYR 16 2HB TYR 16 7.459 3.882 -9.580 95 2HB TYR 16 1HB TYR 16 6.149 4.507 -8.579 96 HD1 TYR 16 HD1 TYR 16 5.849 6.716 -11.029 97 HD2 TYR 16 HD2 TYR 16 5.525 2.497 -10.565 98 HE1 TYR 16 HE1 TYR 16 4.348 6.625 -12.971 99 HE2 TYR 16 HE2 TYR 16 4.019 2.396 -12.509 100 HH TYR 16 HH TYR 16 2.563 5.115 -13.844 101 H VAL 17 H VAL 17 9.626 4.685 -9.368 102 HA VAL 17 HA VAL 17 10.232 4.585 -6.628 103 HB VAL 17 HB VAL 17 12.165 4.417 -8.945 104 1HG1 VAL 17 1HG1 VAL 17 12.892 2.788 -6.731 105 2HG1 VAL 17 2HG1 VAL 17 12.601 4.425 -6.142 106 3HG1 VAL 17 3HG1 VAL 17 13.770 4.147 -7.434 107 1HG2 VAL 17 1HG2 VAL 17 11.505 1.900 -7.758 108 2HG2 VAL 17 2HG2 VAL 17 11.309 2.428 -9.429 109 3HG2 VAL 17 3HG2 VAL 17 10.027 2.724 -8.254 110 H ASN 18 H ASN 18 10.963 6.978 -9.070 111 HA ASN 18 HA ASN 18 13.055 8.402 -8.146 112 1HB ASN 18 2HB ASN 18 10.668 8.942 -9.675 113 2HB ASN 18 1HB ASN 18 11.102 10.345 -8.710 114 1HD2 ASN 18 1HD2 ASN 18 11.838 8.424 -11.424 115 2HD2 ASN 18 2HD2 ASN 18 13.202 9.335 -11.979 116 H GLN 19 H GLN 19 9.717 8.846 -6.959 117 HA GLN 19 HA GLN 19 10.702 10.495 -4.773 118 1HB GLN 19 2HB GLN 19 7.888 9.583 -5.388 119 2HB GLN 19 1HB GLN 19 8.346 10.805 -4.209 120 1HG GLN 19 2HG GLN 19 9.203 12.219 -6.000 121 2HG GLN 19 1HG GLN 19 8.753 10.992 -7.183 122 1HE2 GLN 19 1HE2 GLN 19 7.826 13.829 -5.896 123 2HE2 GLN 19 2HE2 GLN 19 6.122 13.727 -6.151 124 H PHE 20 H PHE 20 9.151 7.357 -5.257 125 HA PHE 20 HA PHE 20 8.784 6.703 -2.582 126 1HB PHE 20 2HB PHE 20 8.686 5.296 -5.096 127 2HB PHE 20 1HB PHE 20 9.256 4.276 -3.774 128 HD1 PHE 20 HD1 PHE 20 6.607 6.790 -4.506 129 HD2 PHE 20 HD2 PHE 20 7.706 3.237 -2.441 130 HE1 PHE 20 HE1 PHE 20 4.309 6.576 -3.661 131 HE2 PHE 20 HE2 PHE 20 5.406 3.012 -1.595 132 HZ PHE 20 HZ PHE 20 3.710 4.687 -2.203 133 H LYS 21 H LYS 21 11.735 6.704 -4.425 134 HA LYS 21 HA LYS 21 13.256 4.819 -3.139 135 1HB LYS 21 2HB LYS 21 14.029 7.589 -4.051 136 2HB LYS 21 1HB LYS 21 15.200 6.464 -3.375 137 1HG LYS 21 2HG LYS 21 14.633 4.855 -5.153 138 2HG LYS 21 1HG LYS 21 13.538 6.048 -5.847 139 1HD LYS 21 2HD LYS 21 15.789 5.954 -6.928 140 2HD LYS 21 1HD LYS 21 15.341 7.545 -6.311 141 1HE LYS 21 2HE LYS 21 17.674 6.969 -5.781 142 2HE LYS 21 1HE LYS 21 16.698 7.192 -4.331 143 1HZ LYS 21 1HZ LYS 21 18.276 5.050 -4.856 144 2HZ LYS 21 2HZ LYS 21 16.736 4.477 -5.258 145 3HZ LYS 21 3HZ LYS 21 17.031 5.093 -3.710 146 H THR 22 H THR 22 11.976 7.773 -1.885 147 HA THR 22 HA THR 22 13.516 8.290 0.342 148 HB THR 22 HB THR 22 10.495 8.361 0.377 149 HG1 THR 22 HG1 THR 22 10.777 9.607 -1.340 150 1HG2 THR 22 1HG2 THR 22 10.986 9.132 2.439 151 2HG2 THR 22 2HG2 THR 22 11.386 10.623 1.586 152 3HG2 THR 22 3HG2 THR 22 12.663 9.486 2.019 153 H ILE 23 H ILE 23 11.639 5.519 -0.311 154 HA ILE 23 HA ILE 23 12.139 4.492 2.392 155 HB ILE 23 HB ILE 23 9.511 4.218 0.931 156 1HG1 ILE 23 2HG1 ILE 23 10.144 5.700 3.490 157 2HG1 ILE 23 1HG1 ILE 23 9.912 6.465 1.921 158 1HG2 ILE 23 1HG2 ILE 23 9.313 2.355 2.136 159 2HG2 ILE 23 2HG2 ILE 23 9.144 3.412 3.538 160 3HG2 ILE 23 3HG2 ILE 23 10.722 2.742 3.123 161 1HD1 ILE 23 1HD1 ILE 23 7.932 6.557 3.407 162 2HD1 ILE 23 2HD1 ILE 23 7.832 4.799 3.310 163 3HD1 ILE 23 3HD1 ILE 23 7.627 5.775 1.855 164 H GLN 24 H GLN 24 10.595 3.432 -0.663 165 HA GLN 24 HA GLN 24 12.108 0.930 -0.479 166 1HB GLN 24 2HB GLN 24 9.416 1.542 -1.113 167 2HB GLN 24 1HB GLN 24 10.168 0.911 -2.565 168 1HG GLN 24 2HG GLN 24 9.397 -1.015 -1.592 169 2HG GLN 24 1HG GLN 24 11.041 -0.955 -0.958 170 1HE2 GLN 24 1HE2 GLN 24 11.357 -0.727 1.209 171 2HE2 GLN 24 2HE2 GLN 24 10.073 -0.666 2.364 172 HA PRO 25 HA PRO 25 14.130 3.412 -3.893 173 1HB PRO 25 2HB PRO 25 16.670 2.592 -3.264 174 2HB PRO 25 1HB PRO 25 15.909 4.053 -2.631 175 1HG PRO 25 2HG PRO 25 16.206 1.367 -1.361 176 2HG PRO 25 1HG PRO 25 16.377 2.975 -0.634 177 1HD PRO 25 2HD PRO 25 14.160 1.477 -0.298 178 2HD PRO 25 1HD PRO 25 14.096 3.250 -0.400 179 H ASP 26 H ASP 26 15.544 0.252 -2.889 180 HA ASP 26 HA ASP 26 14.735 -0.948 -5.379 181 1HB ASP 26 2HB ASP 26 16.789 0.516 -5.781 182 2HB ASP 26 1HB ASP 26 17.685 -0.698 -4.882 183 H LEU 27 H LEU 27 16.495 -1.212 -2.342 184 HA LEU 27 HA LEU 27 17.241 -3.874 -2.366 185 1HB LEU 27 2HB LEU 27 17.241 -3.770 0.061 186 2HB LEU 27 1HB LEU 27 17.910 -2.304 -0.626 187 HG LEU 27 HG LEU 27 15.031 -2.425 0.232 188 1HD1 LEU 27 1HD1 LEU 27 17.176 -2.833 1.961 189 2HD1 LEU 27 2HD1 LEU 27 15.535 -2.358 2.397 190 3HD1 LEU 27 3HD1 LEU 27 16.770 -1.126 2.134 191 1HD2 LEU 27 1HD2 LEU 27 15.092 -0.120 0.125 192 2HD2 LEU 27 2HD2 LEU 27 16.159 -0.561 -1.207 193 3HD2 LEU 27 3HD2 LEU 27 16.840 -0.052 0.335 194 H ASN 28 H ASN 28 15.733 -4.642 0.145 195 HA ASN 28 HA ASN 28 13.246 -5.557 -1.138 196 1HB ASN 28 2HB ASN 28 15.142 -7.279 -0.680 197 2HB ASN 28 1HB ASN 28 14.647 -7.122 1.002 198 1HD2 ASN 28 1HD2 ASN 28 14.385 -9.131 -1.394 199 2HD2 ASN 28 2HD2 ASN 28 12.769 -9.708 -1.206 200 H GLY 29 H GLY 29 13.011 -3.286 0.058 201 1HA GLY 29 2HA GLY 29 12.309 -3.685 2.869 202 2HA GLY 29 1HA GLY 29 12.422 -2.138 2.043 203 H PHE 30 H PHE 30 10.274 -3.492 3.686 204 HA PHE 30 HA PHE 30 8.123 -3.324 1.689 205 1HB PHE 30 2HB PHE 30 7.865 -4.666 4.368 206 2HB PHE 30 1HB PHE 30 6.850 -4.862 2.944 207 HD1 PHE 30 HD1 PHE 30 7.122 -6.767 1.686 208 HD2 PHE 30 HD2 PHE 30 10.395 -5.330 3.994 209 HE1 PHE 30 HE1 PHE 30 8.439 -8.744 1.046 210 HE2 PHE 30 HE2 PHE 30 11.720 -7.301 3.354 211 HZ PHE 30 HZ PHE 30 10.741 -9.013 1.878 212 H ILE 31 H ILE 31 6.673 -1.789 1.877 213 HA ILE 31 HA ILE 31 6.779 0.062 4.113 214 HB ILE 31 HB ILE 31 5.542 0.117 1.384 215 1HG1 ILE 31 2HG1 ILE 31 7.140 2.266 2.745 216 2HG1 ILE 31 1HG1 ILE 31 7.935 0.890 1.984 217 1HG2 ILE 31 1HG2 ILE 31 4.879 2.551 2.471 218 2HG2 ILE 31 2HG2 ILE 31 4.497 1.416 3.766 219 3HG2 ILE 31 3HG2 ILE 31 3.770 1.213 2.174 220 1HD1 ILE 31 1HD1 ILE 31 7.312 1.541 -0.137 221 2HD1 ILE 31 2HD1 ILE 31 7.583 3.093 0.656 222 3HD1 ILE 31 3HD1 ILE 31 5.940 2.484 0.446 223 HA PRO 32 HA PRO 32 3.174 -1.791 5.982 224 1HB PRO 32 2HB PRO 32 2.754 0.116 7.855 225 2HB PRO 32 1HB PRO 32 4.064 -1.063 7.989 226 1HG PRO 32 2HG PRO 32 4.160 1.777 7.049 227 2HG PRO 32 1HG PRO 32 5.283 0.914 8.117 228 1HD PRO 32 2HD PRO 32 5.784 1.335 5.480 229 2HD PRO 32 1HD PRO 32 6.380 -0.089 6.359 230 H GLY 33 H GLY 33 0.894 -1.327 6.128 231 1HA GLY 33 2HA GLY 33 -0.244 0.037 4.034 232 2HA GLY 33 1HA GLY 33 -1.078 -0.268 5.550 233 H SER 34 H SER 34 0.643 1.357 7.179 234 HA SER 34 HA SER 34 -0.658 3.831 6.974 235 1HB SER 34 2HB SER 34 1.946 3.237 8.400 236 2HB SER 34 1HB SER 34 0.869 4.598 8.718 237 HG SER 34 HG SER 34 0.775 2.434 9.992 238 H ALA 35 H ALA 35 2.754 3.044 6.246 239 HA ALA 35 HA ALA 35 3.432 5.582 5.256 240 1HB ALA 35 1HB ALA 35 5.337 4.415 5.627 241 2HB ALA 35 2HB ALA 35 5.151 4.014 3.920 242 3HB ALA 35 3HB ALA 35 4.615 2.877 5.157 243 H ALA 36 H ALA 36 2.333 2.631 3.597 244 HA ALA 36 HA ALA 36 2.424 3.660 0.981 245 1HB ALA 36 1HB ALA 36 2.067 1.430 0.842 246 2HB ALA 36 2HB ALA 36 0.374 1.923 0.809 247 3HB ALA 36 3HB ALA 36 1.106 1.384 2.320 248 H LYS 37 H LYS 37 -0.213 3.549 3.350 249 HA LYS 37 HA LYS 37 -2.170 4.811 1.807 250 1HB LYS 37 2HB LYS 37 -1.785 3.999 4.550 251 2HB LYS 37 1HB LYS 37 -2.624 5.535 4.464 252 1HG LYS 37 2HG LYS 37 -4.406 4.629 3.255 253 2HG LYS 37 1HG LYS 37 -3.487 3.185 2.823 254 1HD LYS 37 2HD LYS 37 -3.476 2.533 5.211 255 2HD LYS 37 1HD LYS 37 -4.494 3.931 5.567 256 1HE LYS 37 2HE LYS 37 -6.253 3.063 4.171 257 2HE LYS 37 1HE LYS 37 -5.228 1.727 3.646 258 1HZ LYS 37 1HZ LYS 37 -6.596 0.833 5.292 259 2HZ LYS 37 2HZ LYS 37 -6.434 2.176 6.307 260 3HZ LYS 37 3HZ LYS 37 -5.132 1.117 6.093 261 H GLU 38 H GLU 38 0.177 6.183 4.121 262 HA GLU 38 HA GLU 38 -0.714 8.843 3.897 263 1HB GLU 38 2HB GLU 38 1.425 7.479 5.178 264 2HB GLU 38 1HB GLU 38 2.121 8.813 4.265 265 1HG GLU 38 2HG GLU 38 0.555 10.356 5.358 266 2HG GLU 38 1HG GLU 38 -0.076 9.016 6.312 267 H PHE 39 H PHE 39 1.893 7.118 2.197 268 HA PHE 39 HA PHE 39 2.736 9.186 0.536 269 1HB PHE 39 2HB PHE 39 3.237 6.451 0.851 270 2HB PHE 39 1HB PHE 39 2.702 6.625 -0.810 271 HD1 PHE 39 HD1 PHE 39 3.929 8.264 -2.307 272 HD2 PHE 39 HD2 PHE 39 5.388 7.062 1.506 273 HE1 PHE 39 HE1 PHE 39 6.189 9.008 -2.940 274 HE2 PHE 39 HE2 PHE 39 7.648 7.808 0.882 275 HZ PHE 39 HZ PHE 39 8.051 8.782 -1.345 276 H PHE 40 H PHE 40 0.383 6.602 -0.151 277 HA PHE 40 HA PHE 40 -0.428 7.536 -2.655 278 1HB PHE 40 2HB PHE 40 -1.642 5.715 -0.620 279 2HB PHE 40 1HB PHE 40 -2.585 6.199 -2.024 280 HD1 PHE 40 HD1 PHE 40 1.065 5.588 -1.894 281 HD2 PHE 40 HD2 PHE 40 -2.732 4.184 -3.210 282 HE1 PHE 40 HE1 PHE 40 2.178 3.862 -3.250 283 HE2 PHE 40 HE2 PHE 40 -1.626 2.453 -4.566 284 HZ PHE 40 HZ PHE 40 0.831 2.292 -4.588 285 H THR 41 H THR 41 -1.649 8.374 0.567 286 HA THR 41 HA THR 41 -4.009 9.631 -0.040 287 HB THR 41 HB THR 41 -1.895 10.564 1.911 288 HG1 THR 41 HG1 THR 41 -2.870 8.538 2.382 289 1HG2 THR 41 1HG2 THR 41 -3.971 11.706 2.970 290 2HG2 THR 41 2HG2 THR 41 -4.648 11.610 1.343 291 3HG2 THR 41 3HG2 THR 41 -3.153 12.503 1.626 292 H LYS 42 H LYS 42 -0.752 10.822 -0.587 293 HA LYS 42 HA LYS 42 -1.188 13.472 -1.209 294 1HB LYS 42 2HB LYS 42 0.662 11.578 -2.666 295 2HB LYS 42 1HB LYS 42 0.801 13.329 -2.621 296 1HG LYS 42 2HG LYS 42 0.770 11.931 -0.021 297 2HG LYS 42 1HG LYS 42 2.197 11.710 -1.032 298 1HD LYS 42 2HD LYS 42 2.471 13.589 0.520 299 2HD LYS 42 1HD LYS 42 2.504 14.125 -1.159 300 1HE LYS 42 2HE LYS 42 0.237 14.918 -1.002 301 2HE LYS 42 1HE LYS 42 0.072 14.245 0.620 302 1HZ LYS 42 1HZ LYS 42 0.549 16.415 1.092 303 2HZ LYS 42 2HZ LYS 42 1.536 16.632 -0.263 304 3HZ LYS 42 3HZ LYS 42 2.117 15.781 1.078 305 H SER 43 H SER 43 -1.922 10.634 -3.118 306 HA SER 43 HA SER 43 -2.334 11.917 -5.601 307 1HB SER 43 2HB SER 43 -2.067 9.521 -5.527 308 2HB SER 43 1HB SER 43 -3.503 9.347 -4.517 309 HG SER 43 HG SER 43 -4.565 10.483 -6.421 310 H LYS 44 H LYS 44 -4.155 12.088 -2.760 311 HA LYS 44 HA LYS 44 -6.122 13.139 -2.254 312 1HB LYS 44 2HB LYS 44 -5.279 14.285 -4.738 313 2HB LYS 44 1HB LYS 44 -7.026 14.094 -4.774 314 1HG LYS 44 2HG LYS 44 -7.214 15.355 -2.689 315 2HG LYS 44 1HG LYS 44 -5.458 15.538 -2.647 316 1HD LYS 44 2HD LYS 44 -5.637 16.643 -4.909 317 2HD LYS 44 1HD LYS 44 -7.385 16.668 -4.667 318 1HE LYS 44 2HE LYS 44 -5.304 17.998 -2.930 319 2HE LYS 44 1HE LYS 44 -6.419 18.800 -4.034 320 1HZ LYS 44 1HZ LYS 44 -7.493 17.106 -1.885 321 2HZ LYS 44 2HZ LYS 44 -8.192 18.446 -2.646 322 3HZ LYS 44 3HZ LYS 44 -6.954 18.668 -1.513 323 H LEU 45 H LEU 45 -6.001 10.366 -3.249 324 HA LEU 45 HA LEU 45 -8.510 9.967 -4.662 325 1HB LEU 45 2HB LEU 45 -6.477 7.992 -3.628 326 2HB LEU 45 1HB LEU 45 -7.894 7.572 -4.574 327 HG LEU 45 HG LEU 45 -5.595 9.289 -5.514 328 1HD1 LEU 45 1HD1 LEU 45 -4.599 7.372 -6.014 329 2HD1 LEU 45 2HD1 LEU 45 -5.930 7.013 -7.114 330 3HD1 LEU 45 3HD1 LEU 45 -5.991 6.450 -5.443 331 1HD2 LEU 45 1HD2 LEU 45 -6.852 9.939 -7.228 332 2HD2 LEU 45 2HD2 LEU 45 -8.247 9.248 -6.399 333 3HD2 LEU 45 3HD2 LEU 45 -7.344 8.279 -7.564 334 HA PRO 46 HA PRO 46 -10.973 9.122 -1.103 335 1HB PRO 46 2HB PRO 46 -12.748 7.327 -2.053 336 2HB PRO 46 1HB PRO 46 -12.756 9.019 -2.558 337 1HG PRO 46 2HG PRO 46 -11.623 6.630 -3.962 338 2HG PRO 46 1HG PRO 46 -12.568 7.974 -4.629 339 1HD PRO 46 2HD PRO 46 -9.856 7.820 -4.823 340 2HD PRO 46 1HD PRO 46 -10.737 9.360 -4.758 341 H ILE 47 H ILE 47 -10.377 8.008 0.648 342 HA ILE 47 HA ILE 47 -8.779 5.800 0.821 343 HB ILE 47 HB ILE 47 -11.064 6.458 2.696 344 1HG1 ILE 47 2HG1 ILE 47 -9.228 7.466 4.080 345 2HG1 ILE 47 1HG1 ILE 47 -8.139 7.237 2.718 346 1HG2 ILE 47 1HG2 ILE 47 -9.227 4.250 2.635 347 2HG2 ILE 47 2HG2 ILE 47 -10.571 4.558 3.734 348 3HG2 ILE 47 3HG2 ILE 47 -8.974 5.218 4.087 349 1HD1 ILE 47 1HD1 ILE 47 -9.275 8.825 1.416 350 2HD1 ILE 47 2HD1 ILE 47 -9.131 9.538 3.022 351 3HD1 ILE 47 3HD1 ILE 47 -10.665 8.839 2.503 352 H LEU 48 H LEU 48 -12.287 5.861 0.380 353 HA LEU 48 HA LEU 48 -12.968 3.253 0.832 354 1HB LEU 48 2HB LEU 48 -14.540 5.044 0.140 355 2HB LEU 48 1HB LEU 48 -13.934 4.910 -1.500 356 HG LEU 48 HG LEU 48 -15.339 2.691 0.000 357 1HD1 LEU 48 1HD1 LEU 48 -16.483 4.964 -1.035 358 2HD1 LEU 48 2HD1 LEU 48 -17.303 3.428 -0.756 359 3HD1 LEU 48 3HD1 LEU 48 -16.646 3.800 -2.350 360 1HD2 LEU 48 1HD2 LEU 48 -13.664 2.536 -2.217 361 2HD2 LEU 48 2HD2 LEU 48 -15.292 2.511 -2.884 362 3HD2 LEU 48 3HD2 LEU 48 -14.819 1.320 -1.674 363 H GLU 49 H GLU 49 -11.613 4.553 -2.212 364 HA GLU 49 HA GLU 49 -11.478 1.909 -3.338 365 1HB GLU 49 2HB GLU 49 -10.315 4.512 -4.326 366 2HB GLU 49 1HB GLU 49 -10.377 3.004 -5.237 367 1HG GLU 49 2HG GLU 49 -12.790 3.028 -5.194 368 2HG GLU 49 1HG GLU 49 -12.787 4.484 -4.201 369 H LEU 50 H LEU 50 -9.268 4.105 -1.716 370 HA LEU 50 HA LEU 50 -6.799 3.050 -2.272 371 1HB LEU 50 2HB LEU 50 -8.037 4.341 0.051 372 2HB LEU 50 1HB LEU 50 -6.696 3.299 0.478 373 HG LEU 50 HG LEU 50 -5.679 4.766 -1.626 374 1HD1 LEU 50 1HD1 LEU 50 -7.905 6.210 -0.514 375 2HD1 LEU 50 2HD1 LEU 50 -6.866 6.625 -1.878 376 3HD1 LEU 50 3HD1 LEU 50 -6.396 7.078 -0.238 377 1HD2 LEU 50 1HD2 LEU 50 -4.832 6.154 0.550 378 2HD2 LEU 50 2HD2 LEU 50 -4.169 4.605 0.030 379 3HD2 LEU 50 3HD2 LEU 50 -5.398 4.659 1.293 380 H SER 51 H SER 51 -9.259 1.754 -0.111 381 HA SER 51 HA SER 51 -7.883 -0.410 0.982 382 1HB SER 51 2HB SER 51 -10.077 -1.386 1.400 383 2HB SER 51 1HB SER 51 -10.161 0.357 1.667 384 HG SER 51 HG SER 51 -11.500 0.534 0.041 385 H HIS 52 H HIS 52 -10.037 -0.403 -1.850 386 HA HIS 52 HA HIS 52 -9.766 -3.002 -2.694 387 1HB HIS 52 2HB HIS 52 -11.316 -1.523 -3.775 388 2HB HIS 52 1HB HIS 52 -10.022 -0.454 -4.297 389 HD1 HIS 52 HD1 HIS 52 -10.909 -4.140 -4.904 390 HD2 HIS 52 HD2 HIS 52 -9.474 -0.777 -6.871 391 HE1 HIS 52 HE1 HIS 52 -10.599 -4.810 -7.325 392 H ILE 53 H ILE 53 -7.672 -0.255 -3.451 393 HA ILE 53 HA ILE 53 -5.888 -1.553 -5.170 394 HB ILE 53 HB ILE 53 -5.283 0.677 -3.218 395 1HG1 ILE 53 2HG1 ILE 53 -6.182 0.776 -6.107 396 2HG1 ILE 53 1HG1 ILE 53 -7.158 1.216 -4.708 397 1HG2 ILE 53 1HG2 ILE 53 -3.860 0.073 -5.797 398 2HG2 ILE 53 2HG2 ILE 53 -3.327 -0.564 -4.242 399 3HG2 ILE 53 3HG2 ILE 53 -3.375 1.179 -4.510 400 1HD1 ILE 53 1HD1 ILE 53 -5.879 3.012 -6.164 401 2HD1 ILE 53 2HD1 ILE 53 -4.567 2.603 -5.059 402 3HD1 ILE 53 3HD1 ILE 53 -6.100 3.200 -4.424 403 H TRP 54 H TRP 54 -5.613 -1.063 -1.617 404 HA TRP 54 HA TRP 54 -3.175 -2.373 -1.310 405 1HB TRP 54 2HB TRP 54 -4.262 -1.129 0.522 406 2HB TRP 54 1HB TRP 54 -5.468 -2.407 0.656 407 HD1 TRP 54 HD1 TRP 54 -4.692 -4.728 1.755 408 HE1 TRP 54 HE1 TRP 54 -2.664 -5.357 3.208 409 HE3 TRP 54 HE3 TRP 54 -1.781 -0.602 0.933 410 HZ2 TRP 54 HZ2 TRP 54 -0.170 -4.246 3.931 411 HZ3 TRP 54 HZ3 TRP 54 0.403 -0.456 2.056 412 HH2 TRP 54 HH2 TRP 54 1.193 -2.244 3.518 413 H GLU 55 H GLU 55 -6.437 -3.814 -0.930 414 HA GLU 55 HA GLU 55 -5.671 -6.417 -0.429 415 1HB GLU 55 2HB GLU 55 -7.975 -5.536 -2.173 416 2HB GLU 55 1HB GLU 55 -7.815 -7.100 -1.384 417 1HG GLU 55 2HG GLU 55 -8.040 -6.133 0.767 418 2HG GLU 55 1HG GLU 55 -7.899 -4.501 0.116 419 H LEU 56 H LEU 56 -6.358 -5.022 -3.634 420 HA LEU 56 HA LEU 56 -5.496 -7.266 -5.108 421 1HB LEU 56 2HB LEU 56 -5.985 -4.385 -5.722 422 2HB LEU 56 1HB LEU 56 -5.241 -5.402 -6.937 423 HG LEU 56 HG LEU 56 -7.679 -5.208 -7.243 424 1HD1 LEU 56 1HD1 LEU 56 -7.280 -8.024 -6.387 425 2HD1 LEU 56 2HD1 LEU 56 -6.209 -7.368 -7.627 426 3HD1 LEU 56 3HD1 LEU 56 -7.954 -7.378 -7.885 427 1HD2 LEU 56 1HD2 LEU 56 -8.048 -5.073 -4.690 428 2HD2 LEU 56 2HD2 LEU 56 -8.055 -6.835 -4.759 429 3HD2 LEU 56 3HD2 LEU 56 -9.243 -5.913 -5.678 430 H SER 57 H SER 57 -3.746 -4.539 -3.772 431 HA SER 57 HA SER 57 -1.346 -5.044 -5.278 432 1HB SER 57 2HB SER 57 -1.845 -3.279 -2.872 433 2HB SER 57 1HB SER 57 -0.348 -3.327 -3.795 434 HG SER 57 HG SER 57 -2.903 -2.468 -4.645 435 H ASP 58 H ASP 58 -2.644 -6.051 -2.219 436 HA ASP 58 HA ASP 58 -0.062 -7.136 -1.374 437 1HB ASP 58 2HB ASP 58 -1.281 -5.873 0.298 438 2HB ASP 58 1HB ASP 58 -2.701 -6.880 0.070 439 H PHE 59 H PHE 59 -0.630 -8.488 -3.451 440 HA PHE 59 HA PHE 59 -2.410 -10.616 -3.401 441 1HB PHE 59 2HB PHE 59 -0.150 -9.789 -4.967 442 2HB PHE 59 1HB PHE 59 -0.096 -11.530 -4.717 443 HD1 PHE 59 HD1 PHE 59 -3.063 -9.326 -5.053 444 HD2 PHE 59 HD2 PHE 59 -0.686 -12.406 -6.773 445 HE1 PHE 59 HE1 PHE 59 -4.749 -9.632 -6.820 446 HE2 PHE 59 HE2 PHE 59 -2.365 -12.719 -8.543 447 HZ PHE 59 HZ PHE 59 -4.399 -11.331 -8.568 448 H ASP 60 H ASP 60 0.231 -10.145 -1.359 449 HA ASP 60 HA ASP 60 0.657 -13.011 -0.910 450 1HB ASP 60 2HB ASP 60 2.468 -12.162 0.640 451 2HB ASP 60 1HB ASP 60 2.679 -11.725 -1.057 452 H LYS 61 H LYS 61 -0.608 -10.129 0.659 453 HA LYS 61 HA LYS 61 -2.064 -9.913 2.400 454 1HB LYS 61 2HB LYS 61 -2.223 -12.753 1.836 455 2HB LYS 61 1HB LYS 61 -2.397 -12.425 3.557 456 1HG LYS 61 2HG LYS 61 -4.004 -11.125 1.369 457 2HG LYS 61 1HG LYS 61 -4.554 -12.447 2.403 458 1HD LYS 61 2HD LYS 61 -4.678 -11.104 4.276 459 2HD LYS 61 1HD LYS 61 -3.517 -9.935 3.642 460 1HE LYS 61 2HE LYS 61 -6.366 -10.334 2.733 461 2HE LYS 61 1HE LYS 61 -5.728 -8.965 3.645 462 1HZ LYS 61 1HZ LYS 61 -4.759 -8.076 1.820 463 2HZ LYS 61 2HZ LYS 61 -5.991 -8.911 1.021 464 3HZ LYS 61 3HZ LYS 61 -4.435 -9.569 1.099 465 H ASP 62 H ASP 62 0.657 -9.541 2.713 466 HA ASP 62 HA ASP 62 1.326 -10.726 5.324 467 1HB ASP 62 2HB ASP 62 3.567 -9.965 4.903 468 2HB ASP 62 1HB ASP 62 2.980 -10.682 3.400 469 H GLY 63 H GLY 63 -0.381 -8.183 4.243 470 1HA GLY 63 2HA GLY 63 -1.102 -6.238 5.250 471 2HA GLY 63 1HA GLY 63 -0.278 -6.775 6.708 472 H ALA 64 H ALA 64 1.683 -6.674 3.952 473 HA ALA 64 HA ALA 64 2.605 -3.941 4.466 474 1HB ALA 64 1HB ALA 64 4.665 -6.094 4.208 475 2HB ALA 64 2HB ALA 64 3.930 -5.762 5.778 476 3HB ALA 64 3HB ALA 64 4.800 -4.488 4.923 477 H LEU 65 H LEU 65 4.067 -3.146 2.734 478 HA LEU 65 HA LEU 65 3.455 -4.495 0.200 479 1HB LEU 65 2HB LEU 65 3.187 -1.743 1.069 480 2HB LEU 65 1HB LEU 65 4.130 -1.874 -0.403 481 HG LEU 65 HG LEU 65 2.329 -2.979 -1.536 482 1HD1 LEU 65 1HD1 LEU 65 1.436 -3.542 1.130 483 2HD1 LEU 65 2HD1 LEU 65 0.940 -4.270 -0.398 484 3HD1 LEU 65 3HD1 LEU 65 0.144 -2.807 0.181 485 1HD2 LEU 65 1HD2 LEU 65 1.390 -1.018 -1.982 486 2HD2 LEU 65 2HD2 LEU 65 2.223 -0.357 -0.575 487 3HD2 LEU 65 3HD2 LEU 65 0.587 -0.997 -0.411 488 H THR 66 H THR 66 5.087 -5.342 -0.802 489 HA THR 66 HA THR 66 7.815 -4.594 -0.145 490 HB THR 66 HB THR 66 7.400 -6.968 -0.365 491 HG1 THR 66 HG1 THR 66 9.412 -6.583 -1.106 492 1HG2 THR 66 1HG2 THR 66 6.629 -6.511 -3.242 493 2HG2 THR 66 2HG2 THR 66 5.443 -6.678 -1.947 494 3HG2 THR 66 3HG2 THR 66 6.538 -8.010 -2.319 495 H LEU 67 H LEU 67 9.338 -3.863 -1.774 496 HA LEU 67 HA LEU 67 8.531 -1.792 -3.337 497 1HB LEU 67 2HB LEU 67 10.917 -2.952 -2.910 498 2HB LEU 67 1HB LEU 67 10.631 -3.514 -4.547 499 HG LEU 67 HG LEU 67 10.667 -0.623 -3.673 500 1HD1 LEU 67 1HD1 LEU 67 12.680 -0.971 -5.486 501 2HD1 LEU 67 2HD1 LEU 67 12.750 -2.468 -4.556 502 3HD1 LEU 67 3HD1 LEU 67 12.881 -0.912 -3.736 503 1HD2 LEU 67 1HD2 LEU 67 9.254 -1.547 -5.739 504 2HD2 LEU 67 2HD2 LEU 67 10.830 -1.419 -6.519 505 3HD2 LEU 67 3HD2 LEU 67 10.096 0.002 -5.776 506 H ASP 68 H ASP 68 8.471 -5.213 -4.138 507 HA ASP 68 HA ASP 68 7.775 -5.100 -6.837 508 1HB ASP 68 2HB ASP 68 7.939 -7.034 -4.759 509 2HB ASP 68 1HB ASP 68 6.364 -7.210 -5.515 510 H GLU 69 H GLU 69 5.649 -5.331 -3.984 511 HA GLU 69 HA GLU 69 3.200 -5.041 -5.312 512 1HB GLU 69 2HB GLU 69 4.030 -4.249 -2.513 513 2HB GLU 69 1HB GLU 69 2.366 -4.234 -3.081 514 1HG GLU 69 2HG GLU 69 2.379 -6.599 -3.392 515 2HG GLU 69 1HG GLU 69 4.108 -6.682 -3.083 516 H PHE 70 H PHE 70 5.432 -2.694 -3.953 517 HA PHE 70 HA PHE 70 3.962 -0.359 -4.247 518 1HB PHE 70 2HB PHE 70 5.971 -0.161 -3.066 519 2HB PHE 70 1HB PHE 70 6.894 -0.993 -4.312 520 HD1 PHE 70 HD1 PHE 70 8.594 0.564 -4.680 521 HD2 PHE 70 HD2 PHE 70 4.523 1.788 -4.865 522 HE1 PHE 70 HE1 PHE 70 9.289 2.714 -5.648 523 HE2 PHE 70 HE2 PHE 70 5.209 3.941 -5.833 524 HZ PHE 70 HZ PHE 70 7.598 4.415 -6.215 525 H CYS 71 H CYS 71 6.332 -1.719 -6.535 526 HA CYS 71 HA CYS 71 5.894 0.146 -8.582 527 1HB CYS 71 2HB CYS 71 7.447 -2.200 -8.226 528 2HB CYS 71 1HB CYS 71 6.550 -2.395 -9.724 529 HG CYS 71 HG CYS 71 9.090 -0.329 -9.013 530 H ALA 72 H ALA 72 4.587 -3.161 -8.250 531 HA ALA 72 HA ALA 72 2.941 -3.132 -10.493 532 1HB ALA 72 1HB ALA 72 3.181 -4.706 -8.065 533 2HB ALA 72 2HB ALA 72 2.771 -5.212 -9.705 534 3HB ALA 72 3HB ALA 72 1.516 -4.594 -8.631 535 H ALA 73 H ALA 73 2.083 -2.287 -7.144 536 HA ALA 73 HA ALA 73 -0.555 -1.505 -7.648 537 1HB ALA 73 1HB ALA 73 0.215 -1.988 -5.413 538 2HB ALA 73 2HB ALA 73 -0.413 -0.340 -5.478 539 3HB ALA 73 3HB ALA 73 1.328 -0.621 -5.470 540 H PHE 74 H PHE 74 2.327 0.592 -7.221 541 HA PHE 74 HA PHE 74 1.070 3.013 -7.689 542 1HB PHE 74 2HB PHE 74 3.549 2.491 -7.060 543 2HB PHE 74 1HB PHE 74 3.812 2.511 -8.801 544 HD1 PHE 74 HD1 PHE 74 3.212 4.595 -10.089 545 HD2 PHE 74 HD2 PHE 74 3.380 4.478 -5.839 546 HE1 PHE 74 HE1 PHE 74 3.388 7.049 -10.032 547 HE2 PHE 74 HE2 PHE 74 3.554 6.931 -5.774 548 HZ PHE 74 HZ PHE 74 3.558 8.220 -7.872 549 H HIS 75 H HIS 75 2.579 0.832 -10.075 550 HA HIS 75 HA HIS 75 2.079 2.374 -12.355 551 1HB HIS 75 2HB HIS 75 3.216 -0.058 -11.853 552 2HB HIS 75 1HB HIS 75 1.746 -0.524 -12.686 553 HD1 HIS 75 HD1 HIS 75 1.461 1.382 -14.941 554 HD2 HIS 75 HD2 HIS 75 5.181 0.036 -13.665 555 HE1 HIS 75 HE1 HIS 75 3.041 1.683 -16.897 556 H LEU 76 H LEU 76 0.176 -0.324 -11.030 557 HA LEU 76 HA LEU 76 -1.949 -0.214 -12.797 558 1HB LEU 76 2HB LEU 76 -1.440 -1.904 -10.942 559 2HB LEU 76 1HB LEU 76 -2.277 -0.800 -9.865 560 HG LEU 76 HG LEU 76 -3.514 -1.992 -12.331 561 1HD1 LEU 76 1HD1 LEU 76 -3.655 -3.898 -11.202 562 2HD1 LEU 76 2HD1 LEU 76 -4.761 -3.069 -10.106 563 3HD1 LEU 76 3HD1 LEU 76 -3.041 -3.150 -9.728 564 1HD2 LEU 76 1HD2 LEU 76 -4.352 -0.014 -10.361 565 2HD2 LEU 76 2HD2 LEU 76 -5.509 -1.329 -10.568 566 3HD2 LEU 76 3HD2 LEU 76 -5.007 -0.369 -11.960 567 H VAL 77 H VAL 77 -1.576 1.492 -9.695 568 HA VAL 77 HA VAL 77 -4.021 2.808 -9.651 569 HB VAL 77 HB VAL 77 -1.368 3.870 -8.673 570 1HG1 VAL 77 1HG1 VAL 77 -2.436 5.578 -7.658 571 2HG1 VAL 77 2HG1 VAL 77 -3.874 4.616 -7.317 572 3HG1 VAL 77 3HG1 VAL 77 -3.638 5.312 -8.921 573 1HG2 VAL 77 1HG2 VAL 77 -2.323 1.579 -7.847 574 2HG2 VAL 77 2HG2 VAL 77 -3.423 2.599 -6.921 575 3HG2 VAL 77 3HG2 VAL 77 -1.682 2.745 -6.688 576 H VAL 78 H VAL 78 -1.024 3.686 -11.264 577 HA VAL 78 HA VAL 78 -1.589 6.246 -12.090 578 HB VAL 78 HB VAL 78 -0.205 4.069 -13.656 579 1HG1 VAL 78 1HG1 VAL 78 -0.067 7.066 -14.003 580 2HG1 VAL 78 2HG1 VAL 78 -0.849 5.936 -15.107 581 3HG1 VAL 78 3HG1 VAL 78 0.898 5.877 -14.878 582 1HG2 VAL 78 1HG2 VAL 78 1.506 4.309 -12.261 583 2HG2 VAL 78 2HG2 VAL 78 0.477 5.324 -11.250 584 3HG2 VAL 78 3HG2 VAL 78 1.502 6.059 -12.482 585 H ALA 79 H ALA 79 -3.007 3.251 -13.237 586 HA ALA 79 HA ALA 79 -4.058 4.292 -15.672 587 1HB ALA 79 1HB ALA 79 -4.577 2.171 -16.033 588 2HB ALA 79 2HB ALA 79 -5.653 2.142 -14.636 589 3HB ALA 79 3HB ALA 79 -3.936 1.795 -14.433 590 H ARG 80 H ARG 80 -5.642 3.625 -12.554 591 HA ARG 80 HA ARG 80 -8.192 4.440 -13.079 592 1HB ARG 80 2HB ARG 80 -7.683 3.549 -10.943 593 2HB ARG 80 1HB ARG 80 -6.486 4.797 -10.628 594 1HG ARG 80 2HG ARG 80 -8.211 6.457 -10.422 595 2HG ARG 80 1HG ARG 80 -9.447 5.278 -10.858 596 1HD ARG 80 2HD ARG 80 -8.691 3.940 -8.862 597 2HD ARG 80 1HD ARG 80 -7.727 5.333 -8.386 598 HE ARG 80 HE ARG 80 -10.391 5.005 -7.823 599 1HH1 ARG 80 2HH1 ARG 80 -8.438 7.371 -9.366 600 2HH1 ARG 80 1HH1 ARG 80 -9.472 8.682 -8.942 601 1HH2 ARG 80 1HH2 ARG 80 -11.744 6.676 -7.226 602 2HH2 ARG 80 2HH2 ARG 80 -11.363 8.292 -7.732 603 H LYS 81 H LYS 81 -5.403 6.475 -12.440 604 HA LYS 81 HA LYS 81 -6.765 8.925 -12.179 605 1HB LYS 81 2HB LYS 81 -4.456 8.515 -11.424 606 2HB LYS 81 1HB LYS 81 -3.933 8.433 -13.101 607 1HG LYS 81 2HG LYS 81 -4.241 10.704 -13.443 608 2HG LYS 81 1HG LYS 81 -5.321 10.866 -12.054 609 1HD LYS 81 2HD LYS 81 -3.410 10.392 -10.557 610 2HD LYS 81 1HD LYS 81 -2.350 10.335 -11.968 611 1HE LYS 81 2HE LYS 81 -2.826 12.640 -12.478 612 2HE LYS 81 1HE LYS 81 -4.023 12.716 -11.187 613 1HZ LYS 81 1HZ LYS 81 -2.234 12.324 -9.584 614 2HZ LYS 81 2HZ LYS 81 -1.967 13.729 -10.486 615 3HZ LYS 81 3HZ LYS 81 -1.099 12.322 -10.839 616 H ASN 82 H ASN 82 -5.954 7.083 -14.995 617 HA ASN 82 HA ASN 82 -7.458 8.774 -16.695 618 1HB ASN 82 2HB ASN 82 -5.544 9.466 -18.194 619 2HB ASN 82 1HB ASN 82 -5.649 10.308 -16.650 620 1HD2 ASN 82 1HD2 ASN 82 -3.720 8.441 -18.695 621 2HD2 ASN 82 2HD2 ASN 82 -2.381 8.221 -17.626 622 H GLY 83 H GLY 83 -7.981 6.284 -16.591 623 1HA GLY 83 2HA GLY 83 -7.435 5.247 -19.173 624 2HA GLY 83 1HA GLY 83 -6.475 4.395 -17.971 625 H TYR 84 H TYR 84 -7.491 2.417 -17.978 626 HA TYR 84 HA TYR 84 -10.383 2.308 -17.810 627 1HB TYR 84 2HB TYR 84 -8.239 0.227 -18.062 628 2HB TYR 84 1HB TYR 84 -9.903 -0.216 -17.691 629 HD1 TYR 84 HD1 TYR 84 -8.318 2.231 -20.037 630 HD2 TYR 84 HD2 TYR 84 -10.987 -1.044 -19.532 631 HE1 TYR 84 HE1 TYR 84 -8.897 2.342 -22.425 632 HE2 TYR 84 HE2 TYR 84 -11.571 -0.945 -21.917 633 HH TYR 84 HH TYR 84 -11.425 1.236 -23.753 634 H ASP 85 H ASP 85 -11.590 1.802 -16.052 635 HA ASP 85 HA ASP 85 -10.519 2.243 -13.499 636 1HB ASP 85 2HB ASP 85 -12.907 2.589 -14.092 637 2HB ASP 85 1HB ASP 85 -13.121 0.842 -14.160 638 H LEU 86 H LEU 86 -10.373 0.802 -11.693 639 HA LEU 86 HA LEU 86 -8.949 -1.579 -12.315 640 1HB LEU 86 2HB LEU 86 -10.005 -0.488 -9.711 641 2HB LEU 86 1HB LEU 86 -9.073 -1.968 -9.814 642 HG LEU 86 HG LEU 86 -7.180 -0.668 -10.774 643 1HD1 LEU 86 1HD1 LEU 86 -8.598 1.182 -11.668 644 2HD1 LEU 86 2HD1 LEU 86 -7.178 1.713 -10.771 645 3HD1 LEU 86 3HD1 LEU 86 -8.771 1.772 -10.016 646 1HD2 LEU 86 1HD2 LEU 86 -8.171 -0.599 -8.077 647 2HD2 LEU 86 2HD2 LEU 86 -7.263 0.868 -8.436 648 3HD2 LEU 86 3HD2 LEU 86 -6.511 -0.710 -8.659 649 HA PRO 87 HA PRO 87 -12.269 -4.460 -12.839 650 1HB PRO 87 2HB PRO 87 -10.869 -6.727 -12.124 651 2HB PRO 87 1HB PRO 87 -10.851 -5.986 -13.727 652 1HG PRO 87 2HG PRO 87 -8.869 -5.743 -11.504 653 2HG PRO 87 1HG PRO 87 -8.593 -5.871 -13.251 654 1HD PRO 87 2HD PRO 87 -8.405 -3.520 -11.957 655 2HD PRO 87 1HD PRO 87 -9.036 -3.627 -13.615 656 H GLU 88 H GLU 88 -13.179 -6.450 -11.610 657 HA GLU 88 HA GLU 88 -13.201 -5.850 -8.717 658 1HB GLU 88 2HB GLU 88 -15.563 -6.499 -8.693 659 2HB GLU 88 1HB GLU 88 -15.289 -5.171 -9.813 660 1HG GLU 88 2HG GLU 88 -15.653 -8.072 -10.528 661 2HG GLU 88 1HG GLU 88 -16.816 -6.774 -10.774 662 H LYS 89 H LYS 89 -11.346 -7.621 -9.514 663 HA LYS 89 HA LYS 89 -12.370 -10.315 -9.531 664 1HB LYS 89 2HB LYS 89 -9.641 -9.100 -9.614 665 2HB LYS 89 1HB LYS 89 -9.836 -10.823 -9.320 666 1HG LYS 89 2HG LYS 89 -11.430 -9.996 -11.562 667 2HG LYS 89 1HG LYS 89 -9.740 -9.527 -11.782 668 1HD LYS 89 2HD LYS 89 -9.032 -11.811 -11.330 669 2HD LYS 89 1HD LYS 89 -10.707 -12.291 -11.046 670 1HE LYS 89 2HE LYS 89 -9.498 -11.326 -13.634 671 2HE LYS 89 1HE LYS 89 -10.083 -12.950 -13.267 672 1HZ LYS 89 1HZ LYS 89 -11.750 -10.493 -13.402 673 2HZ LYS 89 2HZ LYS 89 -12.315 -12.040 -13.016 674 3HZ LYS 89 3HZ LYS 89 -11.703 -11.726 -14.561 675 H LEU 90 H LEU 90 -10.140 -8.629 -7.278 676 HA LEU 90 HA LEU 90 -10.377 -10.718 -5.356 677 1HB LEU 90 2HB LEU 90 -8.421 -9.150 -5.642 678 2HB LEU 90 1HB LEU 90 -9.386 -7.922 -4.847 679 HG LEU 90 HG LEU 90 -8.563 -10.554 -3.614 680 1HD1 LEU 90 1HD1 LEU 90 -6.921 -9.412 -2.414 681 2HD1 LEU 90 2HD1 LEU 90 -7.591 -7.833 -2.823 682 3HD1 LEU 90 3HD1 LEU 90 -6.768 -8.787 -4.056 683 1HD2 LEU 90 1HD2 LEU 90 -9.271 -8.906 -1.572 684 2HD2 LEU 90 2HD2 LEU 90 -10.320 -10.131 -2.284 685 3HD2 LEU 90 3HD2 LEU 90 -10.443 -8.451 -2.807 686 HA PRO 91 HA PRO 91 -14.196 -9.190 -3.619 687 1HB PRO 91 2HB PRO 91 -14.715 -11.348 -2.097 688 2HB PRO 91 1HB PRO 91 -14.934 -11.353 -3.849 689 1HG PRO 91 2HG PRO 91 -12.767 -12.548 -2.205 690 2HG PRO 91 1HG PRO 91 -13.474 -13.121 -3.723 691 1HD PRO 91 2HD PRO 91 -11.053 -11.748 -3.452 692 2HD PRO 91 1HD PRO 91 -11.953 -11.981 -4.962 693 H GLU 92 H GLU 92 -14.749 -8.162 -1.771 694 HA GLU 92 HA GLU 92 -12.916 -7.202 0.016 695 1HB GLU 92 2HB GLU 92 -15.807 -7.731 0.715 696 2HB GLU 92 1HB GLU 92 -14.763 -6.479 1.370 697 1HG GLU 92 2HG GLU 92 -14.923 -5.167 -0.509 698 2HG GLU 92 1HG GLU 92 -15.317 -6.525 -1.558 699 H SER 93 H SER 93 -15.236 -9.823 0.737 700 HA SER 93 HA SER 93 -13.248 -10.984 2.546 701 1HB SER 93 2HB SER 93 -16.079 -10.291 3.344 702 2HB SER 93 1HB SER 93 -14.977 -11.269 4.315 703 HG SER 93 HG SER 93 -13.663 -9.078 3.661 704 H LEU 94 H LEU 94 -13.612 -12.144 0.224 705 HA LEU 94 HA LEU 94 -15.339 -14.466 0.797 706 1HB LEU 94 2HB LEU 94 -14.942 -12.919 -1.702 707 2HB LEU 94 1HB LEU 94 -15.110 -14.656 -1.862 708 HG LEU 94 HG LEU 94 -17.121 -12.849 -0.512 709 1HD1 LEU 94 1HD1 LEU 94 -16.927 -12.501 -2.967 710 2HD1 LEU 94 2HD1 LEU 94 -18.491 -13.146 -2.465 711 3HD1 LEU 94 3HD1 LEU 94 -17.291 -14.211 -3.196 712 1HD2 LEU 94 1HD2 LEU 94 -16.765 -15.447 0.007 713 2HD2 LEU 94 2HD2 LEU 94 -17.775 -15.585 -1.432 714 3HD2 LEU 94 3HD2 LEU 94 -18.359 -14.690 -0.027 715 H MET 95 H MET 95 -12.451 -13.452 -1.022 716 HA MET 95 HA MET 95 -11.417 -16.063 -1.362 717 1HB MET 95 2HB MET 95 -10.681 -13.407 -2.084 718 2HB MET 95 1HB MET 95 -9.293 -14.161 -1.311 719 1HG MET 95 2HG MET 95 -9.446 -16.032 -2.878 720 2HG MET 95 1HG MET 95 -10.821 -15.258 -3.659 721 1HE MET 95 1HE MET 95 -8.800 -14.850 -6.463 722 2HE MET 95 2HE MET 95 -9.191 -16.182 -5.372 723 3HE MET 95 3HE MET 95 -7.520 -15.650 -5.557 724 HA PRO 96 HA PRO 96 -8.594 -15.054 2.425 725 1HB PRO 96 2HB PRO 96 -9.201 -12.893 3.932 726 2HB PRO 96 1HB PRO 96 -8.161 -12.793 2.506 727 1HG PRO 96 2HG PRO 96 -11.070 -12.133 2.774 728 2HG PRO 96 1HG PRO 96 -9.789 -11.230 1.946 729 1HD PRO 96 2HD PRO 96 -11.536 -12.833 0.630 730 2HD PRO 96 1HD PRO 96 -9.867 -12.580 0.080 731 H LYS 97 HN LYS 97 -10.751 -16.664 2.397 732 HA LYS 97 HA LYS 97 -11.972 -16.336 5.063 733 1HB LYS 97 2HB LYS 97 -13.170 -16.779 2.534 734 2HB LYS 97 1HB LYS 97 -13.370 -18.258 3.464 735 1HG LYS 97 2HG LYS 97 -14.417 -17.001 5.265 736 2HG LYS 97 1HG LYS 97 -14.188 -15.502 4.359 737 1HD LYS 97 2HD LYS 97 -15.649 -16.287 2.607 738 2HD LYS 97 1HD LYS 97 -15.793 -17.864 3.388 739 1HE LYS 97 2HE LYS 97 -16.704 -15.243 4.571 740 2HE LYS 97 1HE LYS 97 -17.753 -16.420 3.781 741 1HZ LYS 97 1HZ LYS 97 -17.146 -16.354 6.429 742 2HZ LYS 97 2HZ LYS 97 -16.137 -17.578 5.843 743 3HZ LYS 97 3HZ LYS 97 -17.809 -17.674 5.603 Start of MODEL 29 1 1H TRP 6 1H TRP 6 -1.609 -4.279 -21.098 2 2H TRP 6 2H TRP 6 -1.042 -2.697 -21.298 3 3H TRP 6 3H TRP 6 -2.508 -2.974 -20.500 4 HA TRP 6 HA TRP 6 -0.799 -2.455 -18.902 5 1HB TRP 6 2HB TRP 6 -1.729 -5.331 -18.950 6 2HB TRP 6 1HB TRP 6 -1.010 -4.557 -17.542 7 HD1 TRP 6 HD1 TRP 6 -4.249 -4.797 -19.495 8 HE1 TRP 6 HE1 TRP 6 -6.105 -3.553 -18.212 9 HE3 TRP 6 HE3 TRP 6 -1.372 -2.512 -15.949 10 HZ2 TRP 6 HZ2 TRP 6 -6.307 -1.814 -15.985 11 HZ3 TRP 6 HZ3 TRP 6 -2.466 -1.073 -14.285 12 HH2 TRP 6 HH2 TRP 6 -4.878 -0.731 -14.301 13 H LYS 7 H LYS 7 1.329 -2.117 -19.141 14 HA LYS 7 HA LYS 7 3.148 -4.311 -18.933 15 1HB LYS 7 2HB LYS 7 3.439 -2.596 -21.406 16 2HB LYS 7 1HB LYS 7 4.335 -4.051 -20.990 17 1HG LYS 7 2HG LYS 7 2.270 -5.367 -21.236 18 2HG LYS 7 1HG LYS 7 1.418 -3.901 -21.720 19 1HD LYS 7 2HD LYS 7 2.058 -5.207 -23.663 20 2HD LYS 7 1HD LYS 7 2.924 -3.668 -23.641 21 1HE LYS 7 2HE LYS 7 4.871 -4.831 -22.648 22 2HE LYS 7 1HE LYS 7 3.997 -6.356 -22.791 23 1HZ LYS 7 1HZ LYS 7 3.855 -5.881 -25.223 24 2HZ LYS 7 2HZ LYS 7 5.421 -6.179 -24.653 25 3HZ LYS 7 3HZ LYS 7 4.927 -4.594 -24.983 26 H ILE 8 H ILE 8 4.555 -3.554 -17.458 27 HA ILE 8 HA ILE 8 4.752 -0.761 -16.908 28 HB ILE 8 HB ILE 8 6.429 -3.012 -15.794 29 1HG1 ILE 8 2HG1 ILE 8 3.927 -1.699 -14.704 30 2HG1 ILE 8 1HG1 ILE 8 4.009 -3.320 -15.388 31 1HG2 ILE 8 1HG2 ILE 8 5.951 -0.203 -14.808 32 2HG2 ILE 8 2HG2 ILE 8 7.456 -0.828 -15.484 33 3HG2 ILE 8 3HG2 ILE 8 6.853 -1.450 -13.946 34 1HD1 ILE 8 1HD1 ILE 8 4.626 -2.398 -12.731 35 2HD1 ILE 8 2HD1 ILE 8 5.966 -3.303 -13.437 36 3HD1 ILE 8 3HD1 ILE 8 4.365 -4.037 -13.326 37 H THR 9 H THR 9 6.096 0.699 -17.724 38 HA THR 9 HA THR 9 8.385 -0.216 -19.318 39 HB THR 9 HB THR 9 7.436 2.641 -19.083 40 HG1 THR 9 HG1 THR 9 6.052 2.255 -20.767 41 1HG2 THR 9 1HG2 THR 9 9.710 2.100 -20.030 42 2HG2 THR 9 2HG2 THR 9 8.634 2.986 -21.113 43 3HG2 THR 9 3HG2 THR 9 8.880 1.254 -21.338 44 H ASP 10 H ASP 10 10.447 0.123 -18.691 45 HA ASP 10 HA ASP 10 11.179 0.502 -16.092 46 1HB ASP 10 2HB ASP 10 12.745 -0.309 -17.754 47 2HB ASP 10 1HB ASP 10 12.732 1.250 -18.580 48 H GLU 11 H GLU 11 10.646 3.028 -18.520 49 HA GLU 11 HA GLU 11 11.703 5.216 -17.165 50 1HB GLU 11 2HB GLU 11 10.012 4.785 -19.414 51 2HB GLU 11 1HB GLU 11 9.249 6.002 -18.403 52 1HG GLU 11 2HG GLU 11 11.236 7.370 -18.487 53 2HG GLU 11 1HG GLU 11 12.075 6.128 -19.420 54 H GLN 12 H GLN 12 8.382 3.940 -17.040 55 HA GLN 12 HA GLN 12 7.487 5.721 -15.057 56 1HB GLN 12 2HB GLN 12 6.492 3.221 -16.317 57 2HB GLN 12 1HB GLN 12 5.744 3.729 -14.816 58 1HG GLN 12 2HG GLN 12 5.206 5.888 -15.789 59 2HG GLN 12 1HG GLN 12 6.006 5.421 -17.285 60 1HE2 GLN 12 1HE2 GLN 12 4.472 2.728 -16.104 61 2HE2 GLN 12 2HE2 GLN 12 2.999 2.869 -16.991 62 H ARG 13 H ARG 13 9.007 2.556 -14.928 63 HA ARG 13 HA ARG 13 8.553 1.972 -12.215 64 1HB ARG 13 2HB ARG 13 9.427 0.220 -13.530 65 2HB ARG 13 1HB ARG 13 10.694 1.241 -14.188 66 1HG ARG 13 2HG ARG 13 11.989 1.117 -12.262 67 2HG ARG 13 1HG ARG 13 10.653 0.518 -11.278 68 1HD ARG 13 2HD ARG 13 11.676 -1.046 -13.623 69 2HD ARG 13 1HD ARG 13 12.452 -1.147 -12.048 70 HE ARG 13 HE ARG 13 9.833 -1.607 -11.501 71 1HH1 ARG 13 2HH1 ARG 13 12.103 -3.036 -13.683 72 2HH1 ARG 13 1HH1 ARG 13 11.417 -4.626 -13.551 73 1HH2 ARG 13 1HH2 ARG 13 8.930 -3.640 -11.341 74 2HH2 ARG 13 2HH2 ARG 13 9.619 -4.947 -12.226 75 H GLN 14 H GLN 14 11.378 3.446 -13.756 76 HA GLN 14 HA GLN 14 12.682 4.141 -11.364 77 1HB GLN 14 2HB GLN 14 13.989 5.677 -12.862 78 2HB GLN 14 1HB GLN 14 13.941 3.996 -13.376 79 1HG GLN 14 2HG GLN 14 12.027 4.658 -14.892 80 2HG GLN 14 1HG GLN 14 12.452 6.330 -14.528 81 1HE2 GLN 14 1HE2 GLN 14 13.199 3.553 -16.332 82 2HE2 GLN 14 2HE2 GLN 14 14.582 4.163 -17.160 83 H TYR 15 H TYR 15 10.419 5.898 -13.466 84 HA TYR 15 HA TYR 15 10.555 8.431 -12.406 85 1HB TYR 15 2HB TYR 15 8.984 7.724 -14.239 86 2HB TYR 15 1HB TYR 15 7.956 6.997 -13.010 87 HD1 TYR 15 HD1 TYR 15 6.942 8.491 -11.239 88 HD2 TYR 15 HD2 TYR 15 8.828 10.023 -14.732 89 HE1 TYR 15 HE1 TYR 15 5.790 10.635 -10.910 90 HE2 TYR 15 HE2 TYR 15 7.685 12.175 -14.412 91 HH TYR 15 HH TYR 15 5.751 13.086 -13.314 92 H TYR 16 H TYR 16 8.631 5.709 -11.170 93 HA TYR 16 HA TYR 16 7.697 7.096 -8.868 94 1HB TYR 16 2HB TYR 16 7.869 4.106 -9.245 95 2HB TYR 16 1HB TYR 16 6.759 4.996 -8.207 96 HD1 TYR 16 HD1 TYR 16 6.034 7.180 -10.173 97 HD2 TYR 16 HD2 TYR 16 6.310 2.956 -10.615 98 HE1 TYR 16 HE1 TYR 16 4.410 7.275 -12.011 99 HE2 TYR 16 HE2 TYR 16 4.683 3.038 -12.457 100 HH TYR 16 HH TYR 16 2.853 5.849 -13.170 101 H VAL 17 H VAL 17 10.077 4.455 -9.213 102 HA VAL 17 HA VAL 17 10.899 4.218 -6.612 103 HB VAL 17 HB VAL 17 12.722 4.164 -9.020 104 1HG1 VAL 17 1HG1 VAL 17 14.191 4.185 -7.242 105 2HG1 VAL 17 2HG1 VAL 17 13.891 2.456 -7.417 106 3HG1 VAL 17 3HG1 VAL 17 13.059 3.373 -6.161 107 1HG2 VAL 17 1HG2 VAL 17 10.996 2.064 -7.727 108 2HG2 VAL 17 2HG2 VAL 17 12.340 1.668 -8.799 109 3HG2 VAL 17 3HG2 VAL 17 10.978 2.609 -9.404 110 H ASN 18 H ASN 18 12.004 6.618 -8.973 111 HA ASN 18 HA ASN 18 14.031 7.850 -7.591 112 1HB ASN 18 2HB ASN 18 12.364 8.454 -9.794 113 2HB ASN 18 1HB ASN 18 12.380 9.879 -8.760 114 1HD2 ASN 18 1HD2 ASN 18 13.800 11.268 -9.507 115 2HD2 ASN 18 2HD2 ASN 18 15.381 10.899 -10.085 116 H GLN 19 H GLN 19 10.558 8.185 -7.086 117 HA GLN 19 HA GLN 19 10.968 10.174 -4.979 118 1HB GLN 19 2HB GLN 19 8.458 8.974 -6.150 119 2HB GLN 19 1HB GLN 19 8.480 10.199 -4.888 120 1HG GLN 19 2HG GLN 19 9.539 10.494 -7.686 121 2HG GLN 19 1HG GLN 19 8.058 11.204 -7.041 122 1HE2 GLN 19 1HE2 GLN 19 11.095 11.930 -7.875 123 2HE2 GLN 19 2HE2 GLN 19 11.411 13.241 -6.798 124 H PHE 20 H PHE 20 9.405 7.001 -5.346 125 HA PHE 20 HA PHE 20 8.844 6.609 -2.628 126 1HB PHE 20 2HB PHE 20 8.609 5.116 -5.035 127 2HB PHE 20 1HB PHE 20 9.262 4.076 -3.774 128 HD1 PHE 20 HD1 PHE 20 7.669 2.873 -2.629 129 HD2 PHE 20 HD2 PHE 20 6.717 6.790 -3.992 130 HE1 PHE 20 HE1 PHE 20 5.423 2.667 -1.648 131 HE2 PHE 20 HE2 PHE 20 4.471 6.588 -3.016 132 HZ PHE 20 HZ PHE 20 3.827 4.528 -1.842 133 H LYS 21 H LYS 21 11.807 6.272 -4.361 134 HA LYS 21 HA LYS 21 13.260 4.392 -3.073 135 1HB LYS 21 2HB LYS 21 13.882 6.954 -4.333 136 2HB LYS 21 1HB LYS 21 15.063 6.480 -3.120 137 1HG LYS 21 2HG LYS 21 15.386 4.347 -4.262 138 2HG LYS 21 1HG LYS 21 14.195 4.818 -5.477 139 1HD LYS 21 2HD LYS 21 15.587 6.669 -6.177 140 2HD LYS 21 1HD LYS 21 16.751 6.314 -4.898 141 1HE LYS 21 2HE LYS 21 17.238 4.160 -5.920 142 2HE LYS 21 1HE LYS 21 16.038 4.468 -7.175 143 1HZ LYS 21 1HZ LYS 21 18.060 5.029 -8.149 144 2HZ LYS 21 2HZ LYS 21 18.645 5.793 -6.759 145 3HZ LYS 21 3HZ LYS 21 17.431 6.530 -7.678 146 H THR 22 H THR 22 12.266 7.477 -1.696 147 HA THR 22 HA THR 22 13.913 7.640 0.516 148 HB THR 22 HB THR 22 12.338 9.403 0.074 149 HG1 THR 22 HG1 THR 22 11.574 9.698 2.194 150 1HG2 THR 22 1HG2 THR 22 10.260 8.940 -0.567 151 2HG2 THR 22 2HG2 THR 22 9.896 8.410 1.077 152 3HG2 THR 22 3HG2 THR 22 10.470 7.247 -0.120 153 H ILE 23 H ILE 23 11.167 5.532 -0.009 154 HA ILE 23 HA ILE 23 11.699 4.258 2.599 155 HB ILE 23 HB ILE 23 9.091 4.306 1.075 156 1HG1 ILE 23 2HG1 ILE 23 9.878 5.686 3.650 157 2HG1 ILE 23 1HG1 ILE 23 9.673 6.481 2.092 158 1HG2 ILE 23 1HG2 ILE 23 9.212 2.263 2.256 159 2HG2 ILE 23 2HG2 ILE 23 8.219 3.341 3.237 160 3HG2 ILE 23 3HG2 ILE 23 9.899 3.042 3.681 161 1HD1 ILE 23 1HD1 ILE 23 7.328 5.934 2.082 162 2HD1 ILE 23 2HD1 ILE 23 7.744 6.768 3.580 163 3HD1 ILE 23 3HD1 ILE 23 7.510 5.020 3.580 164 H GLN 24 H GLN 24 10.845 3.709 -0.800 165 HA GLN 24 HA GLN 24 11.622 0.900 -0.451 166 1HB GLN 24 2HB GLN 24 9.263 2.008 -1.449 167 2HB GLN 24 1HB GLN 24 10.141 1.446 -2.860 168 1HG GLN 24 2HG GLN 24 8.702 -0.308 -2.102 169 2HG GLN 24 1HG GLN 24 10.372 -0.771 -1.794 170 1HE2 GLN 24 1HE2 GLN 24 10.728 0.815 0.607 171 2HE2 GLN 24 2HE2 GLN 24 9.754 0.093 1.828 172 HA PRO 25 HA PRO 25 14.829 2.884 -3.188 173 1HB PRO 25 2HB PRO 25 16.900 1.452 -2.123 174 2HB PRO 25 1HB PRO 25 16.359 3.011 -1.495 175 1HG PRO 25 2HG PRO 25 15.735 0.252 -0.516 176 2HG PRO 25 1HG PRO 25 16.127 1.710 0.416 177 1HD PRO 25 2HD PRO 25 13.596 0.830 0.132 178 2HD PRO 25 1HD PRO 25 13.984 2.561 0.225 179 H ASP 26 H ASP 26 14.839 -0.547 -2.142 180 HA ASP 26 HA ASP 26 14.801 -1.365 -4.947 181 1HB ASP 26 2HB ASP 26 17.185 -1.233 -3.818 182 2HB ASP 26 1HB ASP 26 16.694 -2.765 -3.104 183 H LEU 27 H LEU 27 15.291 -4.139 -4.344 184 HA LEU 27 HA LEU 27 12.662 -4.928 -3.540 185 1HB LEU 27 2HB LEU 27 15.124 -6.573 -4.119 186 2HB LEU 27 1HB LEU 27 13.500 -7.209 -3.932 187 HG LEU 27 HG LEU 27 13.985 -5.126 -6.012 188 1HD1 LEU 27 1HD1 LEU 27 14.838 -6.614 -7.575 189 2HD1 LEU 27 2HD1 LEU 27 14.407 -8.029 -6.615 190 3HD1 LEU 27 3HD1 LEU 27 15.750 -7.001 -6.115 191 1HD2 LEU 27 1HD2 LEU 27 11.712 -5.860 -5.534 192 2HD2 LEU 27 2HD2 LEU 27 12.181 -7.536 -5.820 193 3HD2 LEU 27 3HD2 LEU 27 12.210 -6.375 -7.147 194 H ASN 28 H ASN 28 15.171 -3.991 -1.687 195 HA ASN 28 HA ASN 28 14.827 -6.050 0.356 196 1HB ASN 28 2HB ASN 28 17.105 -5.202 -0.355 197 2HB ASN 28 1HB ASN 28 16.689 -3.676 0.409 198 1HD2 ASN 28 1HD2 ASN 28 15.172 -5.677 2.346 199 2HD2 ASN 28 2HD2 ASN 28 16.424 -6.065 3.464 200 H GLY 29 H GLY 29 13.504 -3.103 -0.501 201 1HA GLY 29 2HA GLY 29 12.887 -2.340 2.266 202 2HA GLY 29 1HA GLY 29 12.626 -1.344 0.844 203 H PHE 30 H PHE 30 10.837 -2.264 3.102 204 HA PHE 30 HA PHE 30 8.611 -3.127 1.391 205 1HB PHE 30 2HB PHE 30 8.942 -4.244 4.170 206 2HB PHE 30 1HB PHE 30 7.890 -4.809 2.879 207 HD1 PHE 30 HD1 PHE 30 11.387 -4.635 4.023 208 HD2 PHE 30 HD2 PHE 30 8.634 -6.408 1.308 209 HE1 PHE 30 HE1 PHE 30 13.090 -6.292 3.388 210 HE2 PHE 30 HE2 PHE 30 10.333 -8.067 0.670 211 HZ PHE 30 HZ PHE 30 12.560 -8.013 1.711 212 H ILE 31 H ILE 31 6.800 -1.955 1.747 213 HA ILE 31 HA ILE 31 6.796 -0.068 3.994 214 HB ILE 31 HB ILE 31 5.462 -0.088 1.312 215 1HG1 ILE 31 2HG1 ILE 31 6.765 2.249 2.661 216 2HG1 ILE 31 1HG1 ILE 31 7.763 0.988 1.926 217 1HG2 ILE 31 1HG2 ILE 31 4.667 1.630 3.657 218 2HG2 ILE 31 2HG2 ILE 31 3.672 0.416 2.851 219 3HG2 ILE 31 3HG2 ILE 31 4.148 1.879 1.989 220 1HD1 ILE 31 1HD1 ILE 31 6.864 3.166 0.621 221 2HD1 ILE 31 2HD1 ILE 31 5.588 2.009 0.238 222 3HD1 ILE 31 3HD1 ILE 31 7.264 1.638 -0.168 223 HA PRO 32 HA PRO 32 3.653 -2.830 5.719 224 1HB PRO 32 2HB PRO 32 3.381 -1.407 8.041 225 2HB PRO 32 1HB PRO 32 4.648 -2.612 7.782 226 1HG PRO 32 2HG PRO 32 4.793 0.369 7.557 227 2HG PRO 32 1HG PRO 32 5.962 -0.758 8.271 228 1HD PRO 32 2HD PRO 32 6.302 0.293 5.808 229 2HD PRO 32 1HD PRO 32 6.830 -1.356 6.210 230 H GLY 33 H GLY 33 1.383 -2.316 6.625 231 1HA GLY 33 2HA GLY 33 0.101 -0.491 4.847 232 2HA GLY 33 1HA GLY 33 -0.671 -1.326 6.187 233 H SER 34 H SER 34 2.082 0.828 6.449 234 HA SER 34 HA SER 34 0.643 2.498 8.324 235 1HB SER 34 2HB SER 34 2.806 1.833 9.051 236 2HB SER 34 1HB SER 34 3.541 2.268 7.508 237 HG SER 34 HG SER 34 3.065 3.804 9.695 238 H ALA 35 H ALA 35 3.154 4.151 6.794 239 HA ALA 35 HA ALA 35 1.599 6.325 6.014 240 1HB ALA 35 1HB ALA 35 3.568 7.204 5.007 241 2HB ALA 35 2HB ALA 35 4.276 5.597 4.853 242 3HB ALA 35 3HB ALA 35 4.058 6.313 6.450 243 H ALA 36 H ALA 36 2.050 3.355 4.396 244 HA ALA 36 HA ALA 36 2.018 3.858 1.737 245 1HB ALA 36 1HB ALA 36 0.509 1.823 3.346 246 2HB ALA 36 2HB ALA 36 1.970 1.613 2.379 247 3HB ALA 36 3HB ALA 36 0.413 1.856 1.587 248 H LYS 37 H LYS 37 -0.860 3.995 3.849 249 HA LYS 37 HA LYS 37 -2.653 4.714 1.772 250 1HB LYS 37 2HB LYS 37 -2.768 4.179 4.575 251 2HB LYS 37 1HB LYS 37 -3.624 5.680 4.252 252 1HG LYS 37 2HG LYS 37 -5.318 4.633 3.238 253 2HG LYS 37 1HG LYS 37 -4.242 3.555 2.351 254 1HD LYS 37 2HD LYS 37 -4.164 2.853 5.113 255 2HD LYS 37 1HD LYS 37 -5.852 2.965 4.605 256 1HE LYS 37 2HE LYS 37 -5.048 0.718 4.238 257 2HE LYS 37 1HE LYS 37 -5.338 1.504 2.686 258 1HZ LYS 37 1HZ LYS 37 -3.260 1.048 2.136 259 2HZ LYS 37 2HZ LYS 37 -2.955 0.374 3.658 260 3HZ LYS 37 3HZ LYS 37 -2.703 2.027 3.401 261 H GLU 38 H GLU 38 -1.052 6.673 4.285 262 HA GLU 38 HA GLU 38 -2.112 9.139 3.550 263 1HB GLU 38 2HB GLU 38 0.203 8.156 5.097 264 2HB GLU 38 1HB GLU 38 0.312 9.809 4.524 265 1HG GLU 38 2HG GLU 38 -0.620 9.633 6.799 266 2HG GLU 38 1HG GLU 38 -1.729 10.391 5.658 267 H PHE 39 H PHE 39 0.898 7.566 2.535 268 HA PHE 39 HA PHE 39 1.995 9.518 0.933 269 1HB PHE 39 2HB PHE 39 2.466 6.845 1.490 270 2HB PHE 39 1HB PHE 39 2.163 6.859 -0.237 271 HD1 PHE 39 HD1 PHE 39 3.751 7.740 -1.762 272 HD2 PHE 39 HD2 PHE 39 4.299 8.220 2.430 273 HE1 PHE 39 HE1 PHE 39 6.060 8.490 -2.152 274 HE2 PHE 39 HE2 PHE 39 6.606 8.976 2.046 275 HZ PHE 39 HZ PHE 39 7.489 9.112 -0.248 276 H PHE 40 H PHE 40 -0.165 6.881 -0.088 277 HA PHE 40 HA PHE 40 -0.486 7.734 -2.740 278 1HB PHE 40 2HB PHE 40 -2.030 5.945 -0.909 279 2HB PHE 40 1HB PHE 40 -2.764 6.432 -2.431 280 HD1 PHE 40 HD1 PHE 40 -2.809 4.366 -3.542 281 HD2 PHE 40 HD2 PHE 40 0.838 5.790 -1.868 282 HE1 PHE 40 HE1 PHE 40 -1.579 2.593 -4.722 283 HE2 PHE 40 HE2 PHE 40 2.071 4.016 -3.045 284 HZ PHE 40 HZ PHE 40 0.862 2.416 -4.474 285 H THR 41 H THR 41 -2.385 8.422 0.168 286 HA THR 41 HA THR 41 -4.568 9.721 -0.777 287 HB THR 41 HB THR 41 -2.818 10.640 1.509 288 HG1 THR 41 HG1 THR 41 -3.561 8.706 2.132 289 1HG2 THR 41 1HG2 THR 41 -5.697 11.204 1.580 290 2HG2 THR 41 2HG2 THR 41 -4.798 12.114 0.365 291 3HG2 THR 41 3HG2 THR 41 -4.333 12.209 2.065 292 H LYS 42 H LYS 42 -1.351 11.159 -0.405 293 HA LYS 42 HA LYS 42 -1.806 13.765 -1.120 294 1HB LYS 42 2HB LYS 42 0.499 11.949 -1.806 295 2HB LYS 42 1HB LYS 42 0.519 13.677 -2.120 296 1HG LYS 42 2HG LYS 42 -0.115 12.764 0.631 297 2HG LYS 42 1HG LYS 42 1.555 12.651 0.071 298 1HD LYS 42 2HD LYS 42 -0.173 15.116 0.255 299 2HD LYS 42 1HD LYS 42 1.315 14.765 1.138 300 1HE LYS 42 2HE LYS 42 2.639 15.002 -0.802 301 2HE LYS 42 1HE LYS 42 1.233 14.972 -1.859 302 1HZ LYS 42 1HZ LYS 42 1.634 17.182 -1.814 303 2HZ LYS 42 2HZ LYS 42 2.315 17.164 -0.264 304 3HZ LYS 42 3HZ LYS 42 0.634 17.095 -0.450 305 H SER 43 H SER 43 -1.569 10.979 -3.262 306 HA SER 43 HA SER 43 -1.317 12.189 -5.727 307 1HB SER 43 2HB SER 43 -2.280 10.206 -6.676 308 2HB SER 43 1HB SER 43 -1.373 9.713 -5.245 309 HG SER 43 HG SER 43 -3.176 9.184 -4.254 310 H LYS 44 H LYS 44 -4.397 11.163 -4.270 311 HA LYS 44 HA LYS 44 -5.896 13.392 -4.444 312 1HB LYS 44 2HB LYS 44 -5.072 12.779 -7.050 313 2HB LYS 44 1HB LYS 44 -6.764 12.306 -6.974 314 1HG LYS 44 2HG LYS 44 -7.305 14.551 -6.097 315 2HG LYS 44 1HG LYS 44 -5.615 15.005 -6.325 316 1HD LYS 44 2HD LYS 44 -5.772 14.724 -8.679 317 2HD LYS 44 1HD LYS 44 -7.360 13.963 -8.541 318 1HE LYS 44 2HE LYS 44 -8.270 16.073 -7.677 319 2HE LYS 44 1HE LYS 44 -6.684 16.822 -7.872 320 1HZ LYS 44 1HZ LYS 44 -8.146 17.321 -9.732 321 2HZ LYS 44 2HZ LYS 44 -8.322 15.669 -10.062 322 3HZ LYS 44 3HZ LYS 44 -6.811 16.412 -10.237 323 H LEU 45 H LEU 45 -5.914 10.016 -5.504 324 HA LEU 45 HA LEU 45 -8.666 9.568 -5.094 325 1HB LEU 45 2HB LEU 45 -6.391 7.591 -4.993 326 2HB LEU 45 1HB LEU 45 -8.091 7.177 -5.105 327 HG LEU 45 HG LEU 45 -8.041 8.610 -7.278 328 1HD1 LEU 45 1HD1 LEU 45 -5.984 9.623 -7.356 329 2HD1 LEU 45 2HD1 LEU 45 -5.682 8.185 -8.333 330 3HD1 LEU 45 3HD1 LEU 45 -5.154 8.236 -6.652 331 1HD2 LEU 45 1HD2 LEU 45 -8.513 6.445 -7.736 332 2HD2 LEU 45 2HD2 LEU 45 -7.162 5.831 -6.785 333 3HD2 LEU 45 3HD2 LEU 45 -6.879 6.484 -8.399 334 HA PRO 46 HA PRO 46 -8.845 9.543 -0.651 335 1HB PRO 46 2HB PRO 46 -11.339 8.501 -0.415 336 2HB PRO 46 1HB PRO 46 -11.045 10.173 -0.907 337 1HG PRO 46 2HG PRO 46 -11.619 7.774 -2.610 338 2HG PRO 46 1HG PRO 46 -12.317 9.403 -2.711 339 1HD PRO 46 2HD PRO 46 -10.339 8.600 -4.351 340 2HD PRO 46 1HD PRO 46 -10.445 10.273 -3.764 341 H ILE 47 H ILE 47 -8.451 8.086 0.972 342 HA ILE 47 HA ILE 47 -7.316 5.657 0.616 343 HB ILE 47 HB ILE 47 -9.118 6.372 2.931 344 1HG1 ILE 47 2HG1 ILE 47 -6.143 6.793 2.571 345 2HG1 ILE 47 1HG1 ILE 47 -7.369 8.054 2.479 346 1HG2 ILE 47 1HG2 ILE 47 -7.365 4.083 2.393 347 2HG2 ILE 47 2HG2 ILE 47 -8.721 4.245 3.509 348 3HG2 ILE 47 3HG2 ILE 47 -7.128 4.848 3.966 349 1HD1 ILE 47 1HD1 ILE 47 -7.744 8.039 4.743 350 2HD1 ILE 47 2HD1 ILE 47 -6.016 7.695 4.665 351 3HD1 ILE 47 3HD1 ILE 47 -7.165 6.384 4.935 352 H LEU 48 H LEU 48 -10.775 6.271 0.842 353 HA LEU 48 HA LEU 48 -11.882 3.824 1.259 354 1HB LEU 48 2HB LEU 48 -12.784 6.262 0.400 355 2HB LEU 48 1HB LEU 48 -13.096 5.249 -0.994 356 HG LEU 48 HG LEU 48 -14.397 3.709 0.455 357 1HD1 LEU 48 1HD1 LEU 48 -13.713 5.789 2.507 358 2HD1 LEU 48 2HD1 LEU 48 -13.513 4.040 2.601 359 3HD1 LEU 48 3HD1 LEU 48 -15.127 4.749 2.670 360 1HD2 LEU 48 1HD2 LEU 48 -15.353 6.569 0.554 361 2HD2 LEU 48 2HD2 LEU 48 -16.350 5.115 0.610 362 3HD2 LEU 48 3HD2 LEU 48 -15.464 5.521 -0.860 363 H GLU 49 H GLU 49 -11.119 5.110 -1.978 364 HA GLU 49 HA GLU 49 -11.561 2.608 -3.261 365 1HB GLU 49 2HB GLU 49 -10.161 5.089 -4.259 366 2HB GLU 49 1HB GLU 49 -10.668 3.734 -5.257 367 1HG GLU 49 2HG GLU 49 -13.018 4.178 -4.479 368 2HG GLU 49 1HG GLU 49 -12.413 5.670 -3.767 369 H LEU 50 H LEU 50 -8.804 4.202 -1.869 370 HA LEU 50 HA LEU 50 -6.693 2.845 -3.083 371 1HB LEU 50 2HB LEU 50 -7.107 4.231 -0.514 372 2HB LEU 50 1HB LEU 50 -5.762 3.112 -0.566 373 HG LEU 50 HG LEU 50 -4.813 4.334 -2.473 374 1HD1 LEU 50 1HD1 LEU 50 -5.791 6.114 -3.503 375 2HD1 LEU 50 2HD1 LEU 50 -6.698 6.589 -2.066 376 3HD1 LEU 50 3HD1 LEU 50 -7.244 5.225 -3.041 377 1HD2 LEU 50 1HD2 LEU 50 -3.741 5.267 -0.752 378 2HD2 LEU 50 2HD2 LEU 50 -5.217 5.412 0.202 379 3HD2 LEU 50 3HD2 LEU 50 -4.814 6.645 -0.994 380 H SER 51 H SER 51 -8.638 1.885 -0.269 381 HA SER 51 HA SER 51 -7.294 -0.268 0.693 382 1HB SER 51 2HB SER 51 -9.601 0.590 1.376 383 2HB SER 51 1HB SER 51 -10.247 -0.431 0.093 384 HG SER 51 HG SER 51 -9.144 -2.218 1.172 385 H HIS 52 H HIS 52 -9.612 -0.434 -2.006 386 HA HIS 52 HA HIS 52 -9.330 -3.067 -2.737 387 1HB HIS 52 2HB HIS 52 -10.927 -1.559 -3.801 388 2HB HIS 52 1HB HIS 52 -9.613 -0.667 -4.556 389 HD1 HIS 52 HD1 HIS 52 -11.062 -4.206 -4.637 390 HD2 HIS 52 HD2 HIS 52 -8.961 -1.512 -7.000 391 HE1 HIS 52 HE1 HIS 52 -10.834 -5.284 -6.911 392 H ILE 53 H ILE 53 -7.214 -0.346 -3.478 393 HA ILE 53 HA ILE 53 -5.511 -1.733 -5.261 394 HB ILE 53 HB ILE 53 -4.871 0.637 -3.486 395 1HG1 ILE 53 2HG1 ILE 53 -6.711 1.102 -5.021 396 2HG1 ILE 53 1HG1 ILE 53 -5.263 1.950 -5.549 397 1HG2 ILE 53 1HG2 ILE 53 -3.038 1.065 -5.052 398 2HG2 ILE 53 2HG2 ILE 53 -3.422 -0.429 -5.905 399 3HG2 ILE 53 3HG2 ILE 53 -2.843 -0.488 -4.240 400 1HD1 ILE 53 1HD1 ILE 53 -5.110 -0.430 -6.913 401 2HD1 ILE 53 2HD1 ILE 53 -5.695 1.104 -7.557 402 3HD1 ILE 53 3HD1 ILE 53 -6.838 -0.074 -6.910 403 H TRP 54 H TRP 54 -5.569 -1.329 -1.764 404 HA TRP 54 HA TRP 54 -3.071 -2.645 -1.342 405 1HB TRP 54 2HB TRP 54 -4.093 -1.086 0.302 406 2HB TRP 54 1HB TRP 54 -5.343 -2.290 0.618 407 HD1 TRP 54 HD1 TRP 54 -4.611 -4.506 1.946 408 HE1 TRP 54 HE1 TRP 54 -2.598 -4.974 3.487 409 HE3 TRP 54 HE3 TRP 54 -1.633 -0.555 0.630 410 HZ2 TRP 54 HZ2 TRP 54 -0.082 -3.811 4.070 411 HZ3 TRP 54 HZ3 TRP 54 0.552 -0.307 1.724 412 HH2 TRP 54 HH2 TRP 54 1.314 -1.903 3.400 413 H GLU 55 H GLU 55 -6.476 -3.693 -0.803 414 HA GLU 55 HA GLU 55 -6.005 -6.285 -0.067 415 1HB GLU 55 2HB GLU 55 -8.180 -4.954 -1.599 416 2HB GLU 55 1HB GLU 55 -8.142 -6.711 -1.628 417 1HG GLU 55 2HG GLU 55 -9.589 -6.011 0.138 418 2HG GLU 55 1HG GLU 55 -8.138 -6.714 0.844 419 H LEU 56 H LEU 56 -6.227 -5.090 -3.419 420 HA LEU 56 HA LEU 56 -5.553 -7.556 -4.627 421 1HB LEU 56 2HB LEU 56 -5.819 -4.749 -5.461 422 2HB LEU 56 1HB LEU 56 -4.711 -5.700 -6.432 423 HG LEU 56 HG LEU 56 -7.001 -5.633 -7.361 424 1HD1 LEU 56 1HD1 LEU 56 -6.614 -8.456 -6.538 425 2HD1 LEU 56 2HD1 LEU 56 -5.294 -7.658 -7.393 426 3HD1 LEU 56 3HD1 LEU 56 -6.888 -7.765 -8.139 427 1HD2 LEU 56 1HD2 LEU 56 -8.094 -5.612 -5.068 428 2HD2 LEU 56 2HD2 LEU 56 -7.822 -7.355 -5.038 429 3HD2 LEU 56 3HD2 LEU 56 -8.840 -6.643 -6.291 430 H SER 57 H SER 57 -3.503 -4.664 -4.094 431 HA SER 57 HA SER 57 -1.143 -5.683 -5.109 432 1HB SER 57 2HB SER 57 -1.525 -3.707 -2.859 433 2HB SER 57 1HB SER 57 -0.007 -3.990 -3.699 434 HG SER 57 HG SER 57 -2.298 -2.682 -4.565 435 H ASP 58 H ASP 58 -2.566 -6.254 -1.951 436 HA ASP 58 HA ASP 58 -0.112 -7.588 -1.074 437 1HB ASP 58 2HB ASP 58 -1.591 -5.973 0.350 438 2HB ASP 58 1HB ASP 58 -2.606 -7.394 0.580 439 H PHE 59 H PHE 59 -0.687 -9.176 -2.922 440 HA PHE 59 HA PHE 59 -2.813 -10.996 -2.575 441 1HB PHE 59 2HB PHE 59 -0.261 -11.086 -4.142 442 2HB PHE 59 1HB PHE 59 -1.282 -12.518 -4.028 443 HD1 PHE 59 HD1 PHE 59 -0.611 -9.664 -5.913 444 HD2 PHE 59 HD2 PHE 59 -3.846 -12.036 -4.495 445 HE1 PHE 59 HE1 PHE 59 -2.037 -8.796 -7.720 446 HE2 PHE 59 HE2 PHE 59 -5.277 -11.175 -6.299 447 HZ PHE 59 HZ PHE 59 -4.371 -9.553 -7.914 448 H ASP 60 H ASP 60 -0.195 -10.542 -0.625 449 HA ASP 60 HA ASP 60 -0.001 -13.362 0.150 450 1HB ASP 60 2HB ASP 60 1.852 -12.442 1.657 451 2HB ASP 60 1HB ASP 60 2.143 -12.377 -0.082 452 H LYS 61 H LYS 61 -0.926 -10.171 1.391 453 HA LYS 61 HA LYS 61 -2.354 -9.609 3.082 454 1HB LYS 61 2HB LYS 61 -2.821 -12.531 2.897 455 2HB LYS 61 1HB LYS 61 -3.308 -11.748 4.394 456 1HG LYS 61 2HG LYS 61 -5.083 -11.940 2.620 457 2HG LYS 61 1HG LYS 61 -4.817 -10.320 3.267 458 1HD LYS 61 2HD LYS 61 -3.388 -9.808 1.330 459 2HD LYS 61 1HD LYS 61 -3.730 -11.410 0.673 460 1HE LYS 61 2HE LYS 61 -6.114 -10.846 0.573 461 2HE LYS 61 1HE LYS 61 -5.756 -9.244 1.217 462 1HZ LYS 61 1HZ LYS 61 -5.665 -8.712 -0.930 463 2HZ LYS 61 2HZ LYS 61 -5.376 -10.288 -1.450 464 3HZ LYS 61 3HZ LYS 61 -4.104 -9.344 -0.862 465 H ASP 62 H ASP 62 0.257 -9.463 3.478 466 HA ASP 62 HA ASP 62 0.811 -10.603 6.129 467 1HB ASP 62 2HB ASP 62 3.126 -10.118 5.689 468 2HB ASP 62 1HB ASP 62 2.465 -10.867 4.236 469 H GLY 63 H GLY 63 0.338 -7.637 4.365 470 1HA GLY 63 2HA GLY 63 -0.553 -5.688 5.463 471 2HA GLY 63 1HA GLY 63 0.302 -6.169 6.925 472 H ALA 64 H ALA 64 2.157 -6.631 4.166 473 HA ALA 64 HA ALA 64 3.366 -3.967 4.346 474 1HB ALA 64 1HB ALA 64 5.143 -4.747 5.411 475 2HB ALA 64 2HB ALA 64 5.507 -5.739 3.998 476 3HB ALA 64 3HB ALA 64 4.536 -6.400 5.315 477 H LEU 65 H LEU 65 4.124 -3.167 2.496 478 HA LEU 65 HA LEU 65 3.631 -4.698 0.056 479 1HB LEU 65 2HB LEU 65 3.359 -1.905 0.840 480 2HB LEU 65 1HB LEU 65 4.225 -2.092 -0.671 481 HG LEU 65 HG LEU 65 2.376 -3.228 -1.678 482 1HD1 LEU 65 1HD1 LEU 65 1.194 -4.560 -0.347 483 2HD1 LEU 65 2HD1 LEU 65 0.251 -3.118 0.032 484 3HD1 LEU 65 3HD1 LEU 65 1.575 -3.609 1.089 485 1HD2 LEU 65 1HD2 LEU 65 0.518 -1.416 -0.967 486 2HD2 LEU 65 2HD2 LEU 65 1.855 -1.074 -2.066 487 3HD2 LEU 65 3HD2 LEU 65 1.977 -0.631 -0.363 488 H THR 66 H THR 66 5.227 -5.156 -1.367 489 HA THR 66 HA THR 66 7.962 -4.432 -0.617 490 HB THR 66 HB THR 66 8.709 -6.244 -1.973 491 HG1 THR 66 HG1 THR 66 7.308 -7.358 -3.371 492 1HG2 THR 66 1HG2 THR 66 7.046 -6.619 0.203 493 2HG2 THR 66 2HG2 THR 66 8.099 -7.836 -0.514 494 3HG2 THR 66 3HG2 THR 66 6.406 -7.740 -0.998 495 H LEU 67 H LEU 67 9.435 -3.771 -2.403 496 HA LEU 67 HA LEU 67 8.596 -1.594 -3.798 497 1HB LEU 67 2HB LEU 67 10.955 -2.732 -3.582 498 2HB LEU 67 1HB LEU 67 10.536 -3.452 -5.124 499 HG LEU 67 HG LEU 67 10.794 -0.504 -4.529 500 1HD1 LEU 67 1HD1 LEU 67 12.937 -0.885 -4.989 501 2HD1 LEU 67 2HD1 LEU 67 12.431 -1.215 -6.647 502 3HD1 LEU 67 3HD1 LEU 67 12.607 -2.542 -5.499 503 1HD2 LEU 67 1HD2 LEU 67 8.953 -1.118 -6.151 504 2HD2 LEU 67 2HD2 LEU 67 10.216 -1.750 -7.205 505 3HD2 LEU 67 3HD2 LEU 67 10.206 -0.043 -6.769 506 H ASP 68 H ASP 68 8.245 -4.980 -4.761 507 HA ASP 68 HA ASP 68 7.307 -4.451 -7.382 508 1HB ASP 68 2HB ASP 68 7.828 -6.736 -5.769 509 2HB ASP 68 1HB ASP 68 6.191 -6.868 -6.395 510 H GLU 69 H GLU 69 5.570 -5.333 -4.373 511 HA GLU 69 HA GLU 69 2.966 -5.033 -5.310 512 1HB GLU 69 2HB GLU 69 4.093 -4.374 -2.567 513 2HB GLU 69 1HB GLU 69 2.377 -4.461 -2.932 514 1HG GLU 69 2HG GLU 69 2.499 -6.792 -3.366 515 2HG GLU 69 1HG GLU 69 4.258 -6.776 -3.337 516 H PHE 70 H PHE 70 5.364 -2.725 -4.322 517 HA PHE 70 HA PHE 70 3.794 -0.366 -4.319 518 1HB PHE 70 2HB PHE 70 5.871 -0.205 -3.221 519 2HB PHE 70 1HB PHE 70 6.724 -0.989 -4.539 520 HD1 PHE 70 HD1 PHE 70 4.361 1.834 -4.904 521 HD2 PHE 70 HD2 PHE 70 8.421 0.562 -4.881 522 HE1 PHE 70 HE1 PHE 70 5.051 4.023 -5.793 523 HE2 PHE 70 HE2 PHE 70 9.117 2.743 -5.771 524 HZ PHE 70 HZ PHE 70 7.438 4.480 -6.214 525 H CYS 71 H CYS 71 6.057 -1.668 -6.733 526 HA CYS 71 HA CYS 71 5.679 0.194 -8.754 527 1HB CYS 71 2HB CYS 71 6.664 -2.582 -8.597 528 2HB CYS 71 1HB CYS 71 6.059 -2.107 -10.179 529 HG CYS 71 HG CYS 71 8.119 0.159 -8.860 530 H ALA 72 H ALA 72 3.970 -2.878 -8.226 531 HA ALA 72 HA ALA 72 2.226 -2.678 -10.413 532 1HB ALA 72 1HB ALA 72 2.714 -4.546 -8.485 533 2HB ALA 72 2HB ALA 72 1.410 -4.626 -9.672 534 3HB ALA 72 3HB ALA 72 1.100 -3.988 -8.055 535 H ALA 73 H ALA 73 1.717 -1.797 -7.001 536 HA ALA 73 HA ALA 73 -0.891 -0.867 -7.214 537 1HB ALA 73 1HB ALA 73 1.356 -0.407 -5.339 538 2HB ALA 73 2HB ALA 73 -0.255 -1.065 -5.046 539 3HB ALA 73 3HB ALA 73 -0.033 0.674 -5.246 540 H PHE 74 H PHE 74 2.105 1.108 -7.306 541 HA PHE 74 HA PHE 74 0.813 3.538 -7.802 542 1HB PHE 74 2HB PHE 74 3.320 2.982 -7.245 543 2HB PHE 74 1HB PHE 74 3.504 2.993 -8.995 544 HD1 PHE 74 HD1 PHE 74 5.064 4.864 -7.501 545 HD2 PHE 74 HD2 PHE 74 1.021 5.191 -8.791 546 HE1 PHE 74 HE1 PHE 74 5.249 7.316 -7.449 547 HE2 PHE 74 HE2 PHE 74 1.201 7.640 -8.742 548 HZ PHE 74 HZ PHE 74 3.316 8.707 -8.070 549 H HIS 75 H HIS 75 2.108 1.156 -10.091 550 HA HIS 75 HA HIS 75 1.568 2.536 -12.474 551 1HB HIS 75 2HB HIS 75 2.673 0.126 -11.780 552 2HB HIS 75 1HB HIS 75 1.169 -0.378 -12.530 553 HD1 HIS 75 HD1 HIS 75 0.811 0.575 -15.071 554 HD2 HIS 75 HD2 HIS 75 4.659 0.732 -13.510 555 HE1 HIS 75 HE1 HIS 75 2.364 0.913 -17.036 556 H LEU 76 H LEU 76 -0.311 0.008 -10.837 557 HA LEU 76 HA LEU 76 -2.560 0.023 -12.463 558 1HB LEU 76 2HB LEU 76 -1.922 -1.533 -10.532 559 2HB LEU 76 1HB LEU 76 -2.637 -0.335 -9.472 560 HG LEU 76 HG LEU 76 -4.057 -1.848 -11.649 561 1HD1 LEU 76 1HD1 LEU 76 -3.440 -3.130 -9.589 562 2HD1 LEU 76 2HD1 LEU 76 -5.174 -3.025 -9.899 563 3HD1 LEU 76 3HD1 LEU 76 -4.434 -2.003 -8.667 564 1HD2 LEU 76 1HD2 LEU 76 -5.695 -0.352 -11.552 565 2HD2 LEU 76 2HD2 LEU 76 -4.705 0.637 -10.481 566 3HD2 LEU 76 3HD2 LEU 76 -5.807 -0.558 -9.805 567 H VAL 77 H VAL 77 -1.955 1.897 -9.480 568 HA VAL 77 HA VAL 77 -4.314 3.289 -9.276 569 HB VAL 77 HB VAL 77 -1.526 4.375 -8.820 570 1HG1 VAL 77 1HG1 VAL 77 -4.195 5.426 -7.887 571 2HG1 VAL 77 2HG1 VAL 77 -3.109 6.200 -9.041 572 3HG1 VAL 77 3HG1 VAL 77 -2.623 6.025 -7.353 573 1HG2 VAL 77 1HG2 VAL 77 -2.602 2.302 -7.525 574 2HG2 VAL 77 2HG2 VAL 77 -3.320 3.612 -6.590 575 3HG2 VAL 77 3HG2 VAL 77 -1.567 3.488 -6.727 576 H VAL 78 H VAL 78 -1.480 4.136 -11.183 577 HA VAL 78 HA VAL 78 -2.397 6.476 -12.373 578 HB VAL 78 HB VAL 78 -0.610 4.309 -13.472 579 1HG1 VAL 78 1HG1 VAL 78 -0.876 7.145 -14.461 580 2HG1 VAL 78 2HG1 VAL 78 -1.592 5.739 -15.250 581 3HG1 VAL 78 3HG1 VAL 78 0.161 5.877 -15.117 582 1HG2 VAL 78 1HG2 VAL 78 0.372 5.201 -11.529 583 2HG2 VAL 78 2HG2 VAL 78 -0.094 6.848 -11.950 584 3HG2 VAL 78 3HG2 VAL 78 1.165 6.024 -12.872 585 H ALA 79 H ALA 79 -2.873 3.096 -13.263 586 HA ALA 79 HA ALA 79 -4.189 3.465 -15.722 587 1HB ALA 79 1HB ALA 79 -5.273 1.197 -14.443 588 2HB ALA 79 2HB ALA 79 -3.587 1.316 -13.942 589 3HB ALA 79 3HB ALA 79 -3.995 1.250 -15.658 590 H ARG 80 H ARG 80 -5.461 3.024 -12.436 591 HA ARG 80 HA ARG 80 -8.202 3.285 -13.103 592 1HB ARG 80 2HB ARG 80 -7.465 2.329 -10.954 593 2HB ARG 80 1HB ARG 80 -6.815 3.888 -10.476 594 1HG ARG 80 2HG ARG 80 -9.111 4.829 -10.600 595 2HG ARG 80 1HG ARG 80 -9.714 3.203 -10.915 596 1HD ARG 80 2HD ARG 80 -8.561 2.530 -8.738 597 2HD ARG 80 1HD ARG 80 -8.386 4.255 -8.432 598 HE ARG 80 HE ARG 80 -10.584 4.294 -7.782 599 1HH1 ARG 80 2HH1 ARG 80 -10.146 1.627 -9.940 600 2HH1 ARG 80 1HH1 ARG 80 -11.733 1.001 -9.674 601 1HH2 ARG 80 1HH2 ARG 80 -12.611 3.489 -7.410 602 2HH2 ARG 80 2HH2 ARG 80 -13.128 2.034 -8.222 603 H LYS 81 H LYS 81 -5.755 5.589 -12.090 604 HA LYS 81 HA LYS 81 -7.345 7.829 -11.722 605 1HB LYS 81 2HB LYS 81 -4.925 7.576 -11.141 606 2HB LYS 81 1HB LYS 81 -4.544 7.782 -12.843 607 1HG LYS 81 2HG LYS 81 -4.238 9.828 -11.505 608 2HG LYS 81 1HG LYS 81 -5.402 10.026 -12.818 609 1HD LYS 81 2HD LYS 81 -6.272 9.310 -10.032 610 2HD LYS 81 1HD LYS 81 -6.012 10.986 -10.517 611 1HE LYS 81 2HE LYS 81 -7.866 9.069 -11.925 612 2HE LYS 81 1HE LYS 81 -8.379 10.247 -10.723 613 1HZ LYS 81 1HZ LYS 81 -6.826 11.162 -13.030 614 2HZ LYS 81 2HZ LYS 81 -8.009 11.981 -12.139 615 3HZ LYS 81 3HZ LYS 81 -8.460 10.790 -13.259 616 H ASN 82 H ASN 82 -5.866 6.555 -14.678 617 HA ASN 82 HA ASN 82 -6.911 8.719 -16.285 618 1HB ASN 82 2HB ASN 82 -4.911 6.759 -16.622 619 2HB ASN 82 1HB ASN 82 -6.102 6.485 -17.893 620 1HD2 ASN 82 1HD2 ASN 82 -3.327 8.003 -17.267 621 2HD2 ASN 82 2HD2 ASN 82 -3.457 9.342 -18.347 622 H GLY 83 H GLY 83 -7.546 5.181 -16.199 623 1HA GLY 83 2HA GLY 83 -10.266 5.236 -16.172 624 2HA GLY 83 1HA GLY 83 -9.890 5.532 -17.858 625 H TYR 84 H TYR 84 -8.150 3.351 -15.639 626 HA TYR 84 HA TYR 84 -8.856 1.156 -17.462 627 1HB TYR 84 2HB TYR 84 -6.531 1.543 -15.586 628 2HB TYR 84 1HB TYR 84 -6.920 -0.028 -16.273 629 HD1 TYR 84 HD1 TYR 84 -5.359 -0.569 -17.879 630 HD2 TYR 84 HD2 TYR 84 -6.833 3.425 -17.739 631 HE1 TYR 84 HE1 TYR 84 -4.043 -0.020 -19.878 632 HE2 TYR 84 HE2 TYR 84 -5.520 3.981 -19.745 633 HH TYR 84 HH TYR 84 -4.502 2.826 -21.663 634 H ASP 85 H ASP 85 -10.156 -0.422 -16.813 635 HA ASP 85 HA ASP 85 -11.455 -0.388 -14.325 636 1HB ASP 85 2HB ASP 85 -12.613 -1.317 -16.169 637 2HB ASP 85 1HB ASP 85 -11.286 -2.410 -16.553 638 H LEU 86 H LEU 86 -11.528 -2.736 -13.058 639 HA LEU 86 HA LEU 86 -8.708 -3.465 -12.598 640 1HB LEU 86 2HB LEU 86 -10.702 -3.011 -10.387 641 2HB LEU 86 1HB LEU 86 -8.998 -3.398 -10.211 642 HG LEU 86 HG LEU 86 -8.484 -1.216 -11.378 643 1HD1 LEU 86 1HD1 LEU 86 -10.095 0.106 -12.165 644 2HD1 LEU 86 2HD1 LEU 86 -11.024 -0.017 -10.669 645 3HD1 LEU 86 3HD1 LEU 86 -11.197 -1.248 -11.917 646 1HD2 LEU 86 1HD2 LEU 86 -9.931 -1.217 -8.737 647 2HD2 LEU 86 2HD2 LEU 86 -9.034 0.167 -9.363 648 3HD2 LEU 86 3HD2 LEU 86 -8.195 -1.347 -9.017 649 HA PRO 87 HA PRO 87 -10.078 -7.643 -12.883 650 1HB PRO 87 2HB PRO 87 -7.912 -8.837 -11.769 651 2HB PRO 87 1HB PRO 87 -7.896 -8.143 -13.395 652 1HG PRO 87 2HG PRO 87 -6.925 -6.951 -10.821 653 2HG PRO 87 1HG PRO 87 -6.126 -6.982 -12.406 654 1HD PRO 87 2HD PRO 87 -7.446 -4.807 -11.530 655 2HD PRO 87 1HD PRO 87 -7.446 -5.272 -13.245 656 H GLU 88 H GLU 88 -11.739 -6.980 -11.147 657 HA GLU 88 HA GLU 88 -11.399 -7.286 -8.431 658 1HB GLU 88 2HB GLU 88 -13.522 -6.754 -9.947 659 2HB GLU 88 1HB GLU 88 -13.867 -8.444 -9.620 660 1HG GLU 88 2HG GLU 88 -14.058 -6.108 -7.870 661 2HG GLU 88 1HG GLU 88 -14.943 -7.626 -7.839 662 H LYS 89 H LYS 89 -9.744 -9.052 -8.468 663 HA LYS 89 HA LYS 89 -10.707 -11.753 -8.878 664 1HB LYS 89 2HB LYS 89 -8.048 -10.543 -8.219 665 2HB LYS 89 1HB LYS 89 -8.309 -12.274 -8.048 666 1HG LYS 89 2HG LYS 89 -8.923 -12.420 -10.398 667 2HG LYS 89 1HG LYS 89 -8.684 -10.681 -10.574 668 1HD LYS 89 2HD LYS 89 -6.398 -10.844 -10.423 669 2HD LYS 89 1HD LYS 89 -6.459 -12.340 -9.488 670 1HE LYS 89 2HE LYS 89 -7.125 -12.058 -12.414 671 2HE LYS 89 1HE LYS 89 -5.631 -12.727 -11.758 672 1HZ LYS 89 1HZ LYS 89 -8.202 -13.873 -10.924 673 2HZ LYS 89 2HZ LYS 89 -6.685 -14.611 -11.034 674 3HZ LYS 89 3HZ LYS 89 -7.572 -14.292 -12.440 675 H LEU 90 H LEU 90 -10.081 -9.642 -6.160 676 HA LEU 90 HA LEU 90 -9.939 -11.711 -4.198 677 1HB LEU 90 2HB LEU 90 -9.327 -9.066 -4.219 678 2HB LEU 90 1HB LEU 90 -10.847 -9.042 -3.343 679 HG LEU 90 HG LEU 90 -9.775 -10.872 -1.858 680 1HD1 LEU 90 1HD1 LEU 90 -7.742 -11.542 -2.489 681 2HD1 LEU 90 2HD1 LEU 90 -7.153 -9.965 -1.957 682 3HD1 LEU 90 3HD1 LEU 90 -7.591 -10.220 -3.647 683 1HD2 LEU 90 1HD2 LEU 90 -8.697 -8.062 -1.763 684 2HD2 LEU 90 2HD2 LEU 90 -8.801 -9.196 -0.418 685 3HD2 LEU 90 3HD2 LEU 90 -10.272 -8.565 -1.155 686 HA PRO 91 HA PRO 91 -14.305 -12.478 -3.827 687 1HB PRO 91 2HB PRO 91 -14.296 -13.913 -1.545 688 2HB PRO 91 1HB PRO 91 -13.687 -14.567 -3.071 689 1HG PRO 91 2HG PRO 91 -12.171 -13.418 -0.761 690 2HG PRO 91 1HG PRO 91 -11.809 -14.858 -1.729 691 1HD PRO 91 2HD PRO 91 -10.585 -12.448 -2.111 692 2HD PRO 91 1HD PRO 91 -10.832 -13.633 -3.410 693 H GLU 92 H GLU 92 -15.241 -10.502 -3.434 694 HA GLU 92 HA GLU 92 -14.923 -8.976 -1.079 695 1HB GLU 92 2HB GLU 92 -16.968 -7.781 -1.920 696 2HB GLU 92 1HB GLU 92 -15.630 -7.877 -3.057 697 1HG GLU 92 2HG GLU 92 -16.907 -8.889 -4.551 698 2HG GLU 92 1HG GLU 92 -17.336 -10.143 -3.390 699 H SER 93 H SER 93 -16.489 -11.885 -1.410 700 HA SER 93 HA SER 93 -18.610 -11.235 0.502 701 1HB SER 93 2HB SER 93 -18.085 -13.729 -1.114 702 2HB SER 93 1HB SER 93 -19.405 -13.561 0.043 703 HG SER 93 HG SER 93 -19.174 -11.551 -1.864 704 H LEU 94 H LEU 94 -15.950 -13.588 0.176 705 HA LEU 94 HA LEU 94 -16.245 -14.198 3.020 706 1HB LEU 94 2HB LEU 94 -14.781 -15.606 0.798 707 2HB LEU 94 1HB LEU 94 -14.583 -16.044 2.485 708 HG LEU 94 HG LEU 94 -17.040 -16.490 2.600 709 1HD1 LEU 94 1HD1 LEU 94 -16.889 -15.409 -0.104 710 2HD1 LEU 94 2HD1 LEU 94 -18.272 -15.570 0.978 711 3HD1 LEU 94 3HD1 LEU 94 -17.760 -16.940 -0.009 712 1HD2 LEU 94 1HD2 LEU 94 -15.843 -18.133 0.403 713 2HD2 LEU 94 2HD2 LEU 94 -16.872 -18.641 1.743 714 3HD2 LEU 94 3HD2 LEU 94 -15.191 -18.194 2.040 715 H MET 95 H MET 95 -15.219 -11.696 2.490 716 HA MET 95 HA MET 95 -12.754 -11.824 3.934 717 1HB MET 95 2HB MET 95 -12.746 -11.465 1.035 718 2HB MET 95 1HB MET 95 -11.912 -10.182 1.893 719 1HG MET 95 2HG MET 95 -10.596 -11.934 3.086 720 2HG MET 95 1HG MET 95 -11.354 -13.133 2.039 721 1HE MET 95 1HE MET 95 -8.799 -13.980 1.078 722 2HE MET 95 2HE MET 95 -8.390 -12.949 2.446 723 3HE MET 95 3HE MET 95 -7.561 -12.733 0.905 724 HA PRO 96 HA PRO 96 -15.203 -8.208 5.235 725 1HB PRO 96 2HB PRO 96 -13.639 -7.810 7.475 726 2HB PRO 96 1HB PRO 96 -15.065 -8.850 7.414 727 1HG PRO 96 2HG PRO 96 -12.174 -9.570 7.223 728 2HG PRO 96 1HG PRO 96 -13.491 -10.426 8.048 729 1HD PRO 96 2HD PRO 96 -12.534 -11.256 5.680 730 2HD PRO 96 1HD PRO 96 -14.255 -11.395 6.088 731 H LYS 97 HN LYS 97 -14.843 -6.285 4.307 732 HA LYS 97 HA LYS 97 -12.257 -4.995 4.703 733 1HB LYS 97 2HB LYS 97 -13.521 -5.406 1.991 734 2HB LYS 97 1HB LYS 97 -12.155 -4.338 2.307 735 1HG LYS 97 2HG LYS 97 -12.189 -7.303 2.824 736 2HG LYS 97 1HG LYS 97 -11.450 -6.513 1.425 737 1HD LYS 97 2HD LYS 97 -9.811 -5.494 2.713 738 2HD LYS 97 1HD LYS 97 -10.717 -5.698 4.209 739 1HE LYS 97 2HE LYS 97 -10.312 -8.082 4.152 740 2HE LYS 97 1HE LYS 97 -9.464 -7.923 2.611 741 1HZ LYS 97 1HZ LYS 97 -8.005 -8.037 4.620 742 2HZ LYS 97 2HZ LYS 97 -8.626 -6.532 5.086 743 3HZ LYS 97 3HZ LYS 97 -7.757 -6.673 3.640 Start of MODEL 30 1 1H TRP 6 1H TRP 6 -0.352 -7.570 -17.329 2 2H TRP 6 2H TRP 6 1.332 -7.686 -17.215 3 3H TRP 6 3H TRP 6 0.596 -7.503 -18.729 4 HA TRP 6 HA TRP 6 0.392 -5.297 -18.541 5 1HB TRP 6 2HB TRP 6 -1.130 -6.063 -16.428 6 2HB TRP 6 1HB TRP 6 0.136 -5.167 -15.596 7 HD1 TRP 6 HD1 TRP 6 -1.479 -4.263 -18.994 8 HE1 TRP 6 HE1 TRP 6 -2.534 -1.925 -18.776 9 HE3 TRP 6 HE3 TRP 6 -0.599 -3.426 -14.025 10 HZ2 TRP 6 HZ2 TRP 6 -2.936 0.011 -16.762 11 HZ3 TRP 6 HZ3 TRP 6 -1.350 -1.303 -13.038 12 HH2 TRP 6 HH2 TRP 6 -2.492 0.382 -14.382 13 H LYS 7 H LYS 7 2.845 -6.229 -18.773 14 HA LYS 7 HA LYS 7 4.680 -5.792 -16.724 15 1HB LYS 7 2HB LYS 7 6.378 -5.573 -18.539 16 2HB LYS 7 1HB LYS 7 5.367 -7.006 -18.660 17 1HG LYS 7 2HG LYS 7 4.152 -6.127 -20.466 18 2HG LYS 7 1HG LYS 7 4.769 -4.494 -20.192 19 1HD LYS 7 2HD LYS 7 6.979 -5.164 -20.879 20 2HD LYS 7 1HD LYS 7 6.471 -6.851 -21.007 21 1HE LYS 7 2HE LYS 7 5.451 -4.549 -22.672 22 2HE LYS 7 1HE LYS 7 6.583 -5.792 -23.204 23 1HZ LYS 7 1HZ LYS 7 4.939 -7.256 -23.526 24 2HZ LYS 7 2HZ LYS 7 3.916 -5.908 -23.524 25 3HZ LYS 7 3HZ LYS 7 4.116 -6.818 -22.113 26 H ILE 8 H ILE 8 6.222 -4.120 -16.403 27 HA ILE 8 HA ILE 8 5.298 -1.450 -17.241 28 HB ILE 8 HB ILE 8 6.607 -2.087 -14.594 29 1HG1 ILE 8 2HG1 ILE 8 4.000 -1.270 -14.097 30 2HG1 ILE 8 1HG1 ILE 8 3.839 -2.355 -15.475 31 1HG2 ILE 8 1HG2 ILE 8 5.391 0.378 -15.801 32 2HG2 ILE 8 2HG2 ILE 8 7.003 0.168 -15.118 33 3HG2 ILE 8 3HG2 ILE 8 5.592 0.198 -14.059 34 1HD1 ILE 8 1HD1 ILE 8 5.582 -3.545 -13.558 35 2HD1 ILE 8 2HD1 ILE 8 4.015 -4.108 -14.144 36 3HD1 ILE 8 3HD1 ILE 8 4.101 -3.021 -12.759 37 H THR 9 H THR 9 6.873 0.007 -17.904 38 HA THR 9 HA THR 9 9.382 -1.133 -18.701 39 HB THR 9 HB THR 9 8.635 1.792 -18.813 40 HG1 THR 9 HG1 THR 9 8.009 1.189 -21.022 41 1HG2 THR 9 1HG2 THR 9 10.271 1.929 -20.563 42 2HG2 THR 9 2HG2 THR 9 10.502 0.182 -20.551 43 3HG2 THR 9 3HG2 THR 9 11.030 1.146 -19.172 44 H ASP 10 H ASP 10 11.397 -0.879 -17.883 45 HA ASP 10 HA ASP 10 11.890 -0.409 -15.238 46 1HB ASP 10 2HB ASP 10 13.468 -0.793 -17.566 47 2HB ASP 10 1HB ASP 10 14.136 0.597 -16.715 48 H GLU 11 H GLU 11 11.711 1.947 -17.853 49 HA GLU 11 HA GLU 11 12.679 4.197 -16.523 50 1HB GLU 11 2HB GLU 11 11.353 3.683 -18.966 51 2HB GLU 11 1HB GLU 11 10.437 4.942 -18.149 52 1HG GLU 11 2HG GLU 11 12.570 6.196 -17.851 53 2HG GLU 11 1HG GLU 11 13.355 4.987 -18.865 54 H GLN 12 H GLN 12 9.288 3.119 -16.832 55 HA GLN 12 HA GLN 12 8.261 5.048 -15.068 56 1HB GLN 12 2HB GLN 12 7.323 2.541 -16.335 57 2HB GLN 12 1HB GLN 12 6.481 3.016 -14.874 58 1HG GLN 12 2HG GLN 12 5.442 4.725 -15.879 59 2HG GLN 12 1HG GLN 12 6.890 5.202 -16.765 60 1HE2 GLN 12 1HE2 GLN 12 6.544 5.174 -18.858 61 2HE2 GLN 12 2HE2 GLN 12 5.609 4.005 -19.720 62 H ARG 13 H ARG 13 9.573 1.823 -14.652 63 HA ARG 13 HA ARG 13 8.971 1.361 -11.969 64 1HB ARG 13 2HB ARG 13 9.889 -0.419 -13.213 65 2HB ARG 13 1HB ARG 13 11.248 0.543 -13.761 66 1HG ARG 13 2HG ARG 13 11.070 0.114 -10.858 67 2HG ARG 13 1HG ARG 13 11.400 -1.313 -11.842 68 1HD ARG 13 2HD ARG 13 13.087 0.479 -12.962 69 2HD ARG 13 1HD ARG 13 13.076 1.029 -11.283 70 HE ARG 13 HE ARG 13 14.444 -1.186 -12.245 71 1HH1 ARG 13 2HH1 ARG 13 12.327 -0.347 -9.635 72 2HH1 ARG 13 1HH1 ARG 13 12.831 -1.662 -8.630 73 1HH2 ARG 13 1HH2 ARG 13 15.122 -2.878 -10.922 74 2HH2 ARG 13 2HH2 ARG 13 14.416 -3.088 -9.359 75 H GLN 14 H GLN 14 11.812 2.959 -13.386 76 HA GLN 14 HA GLN 14 12.936 3.725 -10.884 77 1HB GLN 14 2HB GLN 14 14.441 5.104 -12.304 78 2HB GLN 14 1HB GLN 14 14.345 3.427 -12.821 79 1HG GLN 14 2HG GLN 14 12.842 4.016 -14.602 80 2HG GLN 14 1HG GLN 14 12.777 5.683 -14.043 81 1HE2 GLN 14 1HE2 GLN 14 15.793 3.986 -13.971 82 2HE2 GLN 14 2HE2 GLN 14 16.512 4.793 -15.320 83 H TYR 15 H TYR 15 11.028 5.464 -13.359 84 HA TYR 15 HA TYR 15 11.104 8.036 -12.442 85 1HB TYR 15 2HB TYR 15 9.831 7.369 -14.445 86 2HB TYR 15 1HB TYR 15 8.617 6.606 -13.422 87 HD1 TYR 15 HD1 TYR 15 6.643 7.839 -13.618 88 HD2 TYR 15 HD2 TYR 15 10.337 9.917 -13.175 89 HE1 TYR 15 HE1 TYR 15 5.424 9.972 -13.479 90 HE2 TYR 15 HE2 TYR 15 9.124 12.051 -13.034 91 HH TYR 15 HH TYR 15 7.049 13.032 -13.555 92 H TYR 16 H TYR 16 8.984 5.452 -11.231 93 HA TYR 16 HA TYR 16 7.747 7.104 -9.242 94 1HB TYR 16 2HB TYR 16 7.936 4.085 -9.308 95 2HB TYR 16 1HB TYR 16 6.792 5.041 -8.377 96 HD1 TYR 16 HD1 TYR 16 5.420 6.777 -10.000 97 HD2 TYR 16 HD2 TYR 16 7.083 3.030 -11.143 98 HE1 TYR 16 HE1 TYR 16 3.779 6.608 -11.828 99 HE2 TYR 16 HE2 TYR 16 5.455 2.856 -12.975 100 HH TYR 16 HH TYR 16 3.804 5.257 -14.217 101 H VAL 17 H VAL 17 10.158 4.511 -9.099 102 HA VAL 17 HA VAL 17 10.667 4.502 -6.389 103 HB VAL 17 HB VAL 17 12.655 3.986 -8.601 104 1HG1 VAL 17 1HG1 VAL 17 12.630 3.133 -5.708 105 2HG1 VAL 17 2HG1 VAL 17 13.772 4.241 -6.471 106 3HG1 VAL 17 3HG1 VAL 17 13.756 2.537 -6.929 107 1HG2 VAL 17 1HG2 VAL 17 10.263 2.677 -8.047 108 2HG2 VAL 17 2HG2 VAL 17 11.510 1.665 -7.317 109 3HG2 VAL 17 3HG2 VAL 17 11.598 2.075 -9.031 110 H ASN 18 H ASN 18 11.995 6.699 -8.839 111 HA ASN 18 HA ASN 18 14.137 7.775 -7.559 112 1HB ASN 18 2HB ASN 18 11.984 9.168 -9.142 113 2HB ASN 18 1HB ASN 18 13.496 9.917 -8.674 114 1HD2 ASN 18 1HD2 ASN 18 14.301 6.822 -9.091 115 2HD2 ASN 18 2HD2 ASN 18 14.735 6.842 -10.761 116 H GLN 19 H GLN 19 10.728 8.488 -6.931 117 HA GLN 19 HA GLN 19 11.492 10.307 -4.770 118 1HB GLN 19 2HB GLN 19 8.850 9.655 -6.056 119 2HB GLN 19 1HB GLN 19 8.957 10.588 -4.571 120 1HG GLN 19 2HG GLN 19 10.432 12.199 -5.790 121 2HG GLN 19 1HG GLN 19 10.065 11.313 -7.271 122 1HE2 GLN 19 1HE2 GLN 19 8.586 12.318 -8.434 123 2HE2 GLN 19 2HE2 GLN 19 7.214 13.170 -7.821 124 H PHE 20 H PHE 20 9.583 7.336 -5.236 125 HA PHE 20 HA PHE 20 8.948 6.947 -2.531 126 1HB PHE 20 2HB PHE 20 8.670 5.449 -4.960 127 2HB PHE 20 1HB PHE 20 9.197 4.391 -3.654 128 HD1 PHE 20 HD1 PHE 20 6.843 7.254 -4.058 129 HD2 PHE 20 HD2 PHE 20 7.518 3.351 -2.501 130 HE1 PHE 20 HE1 PHE 20 4.562 7.229 -3.140 131 HE2 PHE 20 HE2 PHE 20 5.235 3.319 -1.585 132 HZ PHE 20 HZ PHE 20 3.760 5.262 -1.903 133 H LYS 21 H LYS 21 11.876 6.462 -4.250 134 HA LYS 21 HA LYS 21 13.263 4.506 -2.982 135 1HB LYS 21 2HB LYS 21 15.293 5.842 -3.319 136 2HB LYS 21 1HB LYS 21 14.229 5.954 -4.717 137 1HG LYS 21 2HG LYS 21 13.491 8.125 -4.081 138 2HG LYS 21 1HG LYS 21 14.306 8.007 -2.521 139 1HD LYS 21 2HD LYS 21 16.470 7.941 -3.665 140 2HD LYS 21 1HD LYS 21 15.647 8.066 -5.223 141 1HE LYS 21 2HE LYS 21 14.781 10.246 -4.633 142 2HE LYS 21 1HE LYS 21 15.468 10.114 -3.015 143 1HZ LYS 21 1HZ LYS 21 16.761 11.472 -4.669 144 2HZ LYS 21 2HZ LYS 21 17.132 10.026 -5.462 145 3HZ LYS 21 3HZ LYS 21 17.637 10.268 -3.867 146 H THR 22 H THR 22 12.399 7.643 -1.723 147 HA THR 22 HA THR 22 13.942 7.943 0.507 148 HB THR 22 HB THR 22 10.953 8.381 0.595 149 HG1 THR 22 HG1 THR 22 11.427 9.396 -1.275 150 1HG2 THR 22 1HG2 THR 22 11.615 10.382 1.890 151 2HG2 THR 22 2HG2 THR 22 13.299 9.876 1.776 152 3HG2 THR 22 3HG2 THR 22 12.138 8.883 2.659 153 H ILE 23 H ILE 23 11.150 5.847 0.088 154 HA ILE 23 HA ILE 23 11.714 4.599 2.697 155 HB ILE 23 HB ILE 23 9.106 4.600 1.178 156 1HG1 ILE 23 2HG1 ILE 23 9.014 5.918 3.733 157 2HG1 ILE 23 1HG1 ILE 23 10.277 6.642 2.740 158 1HG2 ILE 23 1HG2 ILE 23 8.592 2.886 2.489 159 2HG2 ILE 23 2HG2 ILE 23 8.694 3.981 3.867 160 3HG2 ILE 23 3HG2 ILE 23 10.105 3.041 3.380 161 1HD1 ILE 23 1HD1 ILE 23 7.806 6.184 1.282 162 2HD1 ILE 23 2HD1 ILE 23 8.802 7.634 1.407 163 3HD1 ILE 23 3HD1 ILE 23 7.615 7.267 2.659 164 H GLN 24 H GLN 24 10.891 3.966 -0.702 165 HA GLN 24 HA GLN 24 11.571 1.150 -0.261 166 1HB GLN 24 2HB GLN 24 9.308 2.284 -1.395 167 2HB GLN 24 1HB GLN 24 10.244 1.701 -2.762 168 1HG GLN 24 2HG GLN 24 8.729 -0.019 -2.042 169 2HG GLN 24 1HG GLN 24 10.382 -0.515 -1.673 170 1HE2 GLN 24 1HE2 GLN 24 11.073 0.331 0.621 171 2HE2 GLN 24 2HE2 GLN 24 9.934 0.014 1.874 172 HA PRO 25 HA PRO 25 14.941 3.032 -2.904 173 1HB PRO 25 2HB PRO 25 16.955 1.739 -1.576 174 2HB PRO 25 1HB PRO 25 16.363 3.347 -1.155 175 1HG PRO 25 2HG PRO 25 15.690 0.701 0.071 176 2HG PRO 25 1HG PRO 25 16.019 2.253 0.867 177 1HD PRO 25 2HD PRO 25 13.513 1.338 0.531 178 2HD PRO 25 1HD PRO 25 13.898 3.071 0.427 179 H ASP 26 H ASP 26 14.897 -0.299 -1.589 180 HA ASP 26 HA ASP 26 15.041 -1.368 -4.285 181 1HB ASP 26 2HB ASP 26 17.377 -1.043 -3.308 182 2HB ASP 26 1HB ASP 26 16.961 -2.290 -2.143 183 H LEU 27 H LEU 27 15.095 -3.949 -3.953 184 HA LEU 27 HA LEU 27 12.629 -4.671 -2.876 185 1HB LEU 27 2HB LEU 27 15.015 -6.398 -3.514 186 2HB LEU 27 1HB LEU 27 13.417 -7.020 -3.148 187 HG LEU 27 HG LEU 27 14.159 -5.292 -5.505 188 1HD1 LEU 27 1HD1 LEU 27 12.964 -7.979 -5.798 189 2HD1 LEU 27 2HD1 LEU 27 14.645 -7.906 -5.271 190 3HD1 LEU 27 3HD1 LEU 27 14.164 -7.152 -6.791 191 1HD2 LEU 27 1HD2 LEU 27 11.499 -6.401 -4.625 192 2HD2 LEU 27 2HD2 LEU 27 11.816 -5.712 -6.216 193 3HD2 LEU 27 3HD2 LEU 27 11.950 -4.702 -4.777 194 H ASN 28 H ASN 28 14.998 -3.637 -0.977 195 HA ASN 28 HA ASN 28 14.658 -5.695 1.077 196 1HB ASN 28 2HB ASN 28 16.957 -4.789 0.480 197 2HB ASN 28 1HB ASN 28 16.459 -3.284 1.249 198 1HD2 ASN 28 1HD2 ASN 28 17.214 -3.120 3.225 199 2HD2 ASN 28 2HD2 ASN 28 17.403 -4.412 4.354 200 H GLY 29 H GLY 29 13.378 -2.731 0.135 201 1HA GLY 29 2HA GLY 29 12.595 -2.021 2.879 202 2HA GLY 29 1HA GLY 29 12.457 -0.975 1.477 203 H PHE 30 H PHE 30 10.510 -1.962 3.580 204 HA PHE 30 HA PHE 30 8.405 -2.804 1.687 205 1HB PHE 30 2HB PHE 30 8.502 -3.754 4.552 206 2HB PHE 30 1HB PHE 30 7.512 -4.366 3.234 207 HD1 PHE 30 HD1 PHE 30 8.114 -6.371 2.315 208 HD2 PHE 30 HD2 PHE 30 11.127 -3.939 4.082 209 HE1 PHE 30 HE1 PHE 30 9.775 -8.138 1.911 210 HE2 PHE 30 HE2 PHE 30 12.797 -5.702 3.672 211 HZ PHE 30 HZ PHE 30 12.119 -7.806 2.587 212 H ILE 31 H ILE 31 6.649 -1.510 1.767 213 HA ILE 31 HA ILE 31 6.477 0.490 3.897 214 HB ILE 31 HB ILE 31 5.384 0.348 1.110 215 1HG1 ILE 31 2HG1 ILE 31 6.772 2.607 2.537 216 2HG1 ILE 31 1HG1 ILE 31 7.660 1.327 1.712 217 1HG2 ILE 31 1HG2 ILE 31 4.347 2.662 1.881 218 2HG2 ILE 31 2HG2 ILE 31 4.265 1.820 3.429 219 3HG2 ILE 31 3HG2 ILE 31 3.458 1.145 2.014 220 1HD1 ILE 31 1HD1 ILE 31 5.718 2.279 -0.097 221 2HD1 ILE 31 2HD1 ILE 31 7.471 2.461 -0.179 222 3HD1 ILE 31 3HD1 ILE 31 6.492 3.687 0.631 223 HA PRO 32 HA PRO 32 3.106 -1.979 5.586 224 1HB PRO 32 2HB PRO 32 2.561 -0.211 7.613 225 2HB PRO 32 1HB PRO 32 3.811 -1.458 7.701 226 1HG PRO 32 2HG PRO 32 4.080 1.452 7.072 227 2HG PRO 32 1HG PRO 32 5.118 0.421 8.074 228 1HD PRO 32 2HD PRO 32 5.790 1.105 5.554 229 2HD PRO 32 1HD PRO 32 6.207 -0.483 6.236 230 H GLY 33 H GLY 33 0.828 -1.723 5.579 231 1HA GLY 33 2HA GLY 33 -0.309 -0.197 3.616 232 2HA GLY 33 1HA GLY 33 -1.198 -0.738 5.031 233 H SER 34 H SER 34 0.443 0.832 6.871 234 HA SER 34 HA SER 34 -1.077 3.207 6.921 235 1HB SER 34 2HB SER 34 0.432 3.922 8.723 236 2HB SER 34 1HB SER 34 -0.030 2.234 8.941 237 HG SER 34 HG SER 34 2.321 2.938 9.094 238 H ALA 35 H ALA 35 2.421 2.801 6.318 239 HA ALA 35 HA ALA 35 2.872 5.435 5.457 240 1HB ALA 35 1HB ALA 35 4.417 3.170 5.896 241 2HB ALA 35 2HB ALA 35 4.995 4.756 5.379 242 3HB ALA 35 3HB ALA 35 4.625 3.516 4.180 243 H ALA 36 H ALA 36 2.178 2.463 3.630 244 HA ALA 36 HA ALA 36 2.417 3.600 1.070 245 1HB ALA 36 1HB ALA 36 1.905 1.088 2.026 246 2HB ALA 36 2HB ALA 36 1.843 1.563 0.328 247 3HB ALA 36 3HB ALA 36 0.364 1.526 1.290 248 H LYS 37 H LYS 37 -0.535 3.000 2.992 249 HA LYS 37 HA LYS 37 -2.272 4.270 1.190 250 1HB LYS 37 2HB LYS 37 -2.474 2.963 3.688 251 2HB LYS 37 1HB LYS 37 -3.251 4.529 3.868 252 1HG LYS 37 2HG LYS 37 -4.802 4.079 2.165 253 2HG LYS 37 1HG LYS 37 -3.860 2.717 1.558 254 1HD LYS 37 2HD LYS 37 -5.835 1.953 2.774 255 2HD LYS 37 1HD LYS 37 -4.354 1.459 3.595 256 1HE LYS 37 2HE LYS 37 -4.596 3.319 5.159 257 2HE LYS 37 1HE LYS 37 -6.065 3.834 4.329 258 1HZ LYS 37 1HZ LYS 37 -6.532 2.537 6.333 259 2HZ LYS 37 2HZ LYS 37 -5.702 1.212 5.682 260 3HZ LYS 37 3HZ LYS 37 -7.121 1.767 4.943 261 H GLU 38 H GLU 38 -0.656 5.537 4.117 262 HA GLU 38 HA GLU 38 -1.783 8.095 4.002 263 1HB GLU 38 2HB GLU 38 0.520 6.832 5.327 264 2HB GLU 38 1HB GLU 38 0.661 8.560 5.078 265 1HG GLU 38 2HG GLU 38 -1.580 8.811 6.172 266 2HG GLU 38 1HG GLU 38 -1.489 7.097 6.575 267 H PHE 39 H PHE 39 1.280 6.871 2.636 268 HA PHE 39 HA PHE 39 2.201 9.245 1.537 269 1HB PHE 39 2HB PHE 39 2.939 6.567 1.484 270 2HB PHE 39 1HB PHE 39 2.647 6.964 -0.197 271 HD1 PHE 39 HD1 PHE 39 4.325 8.446 2.781 272 HD2 PHE 39 HD2 PHE 39 4.417 7.775 -1.420 273 HE1 PHE 39 HE1 PHE 39 6.519 9.551 2.657 274 HE2 PHE 39 HE2 PHE 39 6.614 8.874 -1.552 275 HZ PHE 39 HZ PHE 39 7.667 9.766 0.488 276 H PHE 40 H PHE 40 0.250 6.716 -0.038 277 HA PHE 40 HA PHE 40 -0.127 7.957 -2.485 278 1HB PHE 40 2HB PHE 40 -1.698 5.955 -0.933 279 2HB PHE 40 1HB PHE 40 -2.430 6.671 -2.362 280 HD1 PHE 40 HD1 PHE 40 0.608 4.861 -1.215 281 HD2 PHE 40 HD2 PHE 40 -1.942 5.855 -4.476 282 HE1 PHE 40 HE1 PHE 40 1.835 3.284 -2.648 283 HE2 PHE 40 HE2 PHE 40 -0.721 4.276 -5.914 284 HZ PHE 40 HZ PHE 40 1.169 2.988 -5.001 285 H THR 41 H THR 41 -1.687 8.651 0.565 286 HA THR 41 HA THR 41 -4.009 9.876 -0.095 287 HB THR 41 HB THR 41 -1.961 10.973 1.837 288 HG1 THR 41 HG1 THR 41 -4.237 9.321 2.287 289 1HG2 THR 41 1HG2 THR 41 -3.692 12.626 1.180 290 2HG2 THR 41 2HG2 THR 41 -3.789 12.160 2.878 291 3HG2 THR 41 3HG2 THR 41 -4.931 11.486 1.716 292 H LYS 42 H LYS 42 -0.781 11.197 -0.648 293 HA LYS 42 HA LYS 42 -1.386 13.816 -1.259 294 1HB LYS 42 2HB LYS 42 0.618 12.075 -2.703 295 2HB LYS 42 1HB LYS 42 0.615 13.833 -2.670 296 1HG LYS 42 2HG LYS 42 0.744 13.519 -0.091 297 2HG LYS 42 1HG LYS 42 1.306 11.899 -0.504 298 1HD LYS 42 2HD LYS 42 3.201 13.383 -0.193 299 2HD LYS 42 1HD LYS 42 3.090 12.893 -1.887 300 1HE LYS 42 2HE LYS 42 2.065 14.999 -2.473 301 2HE LYS 42 1HE LYS 42 2.009 15.483 -0.779 302 1HZ LYS 42 1HZ LYS 42 3.915 16.288 -2.362 303 2HZ LYS 42 2HZ LYS 42 4.613 14.806 -1.940 304 3HZ LYS 42 3HZ LYS 42 4.227 15.931 -0.738 305 H SER 43 H SER 43 -1.923 10.961 -3.232 306 HA SER 43 HA SER 43 -2.428 12.225 -5.692 307 1HB SER 43 2HB SER 43 -3.385 9.612 -4.534 308 2HB SER 43 1HB SER 43 -3.881 10.151 -6.139 309 HG SER 43 HG SER 43 -1.157 9.981 -5.373 310 H LYS 44 H LYS 44 -4.215 12.294 -2.822 311 HA LYS 44 HA LYS 44 -6.169 13.336 -2.273 312 1HB LYS 44 2HB LYS 44 -5.274 14.703 -4.462 313 2HB LYS 44 1HB LYS 44 -6.866 14.189 -5.001 314 1HG LYS 44 2HG LYS 44 -7.956 15.420 -3.374 315 2HG LYS 44 1HG LYS 44 -6.526 15.500 -2.340 316 1HD LYS 44 2HD LYS 44 -7.146 17.638 -3.557 317 2HD LYS 44 1HD LYS 44 -5.478 17.085 -3.741 318 1HE LYS 44 2HE LYS 44 -5.895 16.245 -5.910 319 2HE LYS 44 1HE LYS 44 -7.640 16.402 -5.717 320 1HZ LYS 44 1HZ LYS 44 -7.533 18.694 -5.936 321 2HZ LYS 44 2HZ LYS 44 -6.412 18.155 -7.083 322 3HZ LYS 44 3HZ LYS 44 -5.876 18.764 -5.599 323 H LEU 45 H LEU 45 -5.953 10.588 -3.403 324 HA LEU 45 HA LEU 45 -8.568 10.120 -4.604 325 1HB LEU 45 2HB LEU 45 -6.152 8.423 -4.116 326 2HB LEU 45 1HB LEU 45 -7.702 7.654 -4.395 327 HG LEU 45 HG LEU 45 -7.867 8.694 -6.589 328 1HD1 LEU 45 1HD1 LEU 45 -5.702 9.848 -7.396 329 2HD1 LEU 45 2HD1 LEU 45 -5.403 10.117 -5.679 330 3HD1 LEU 45 3HD1 LEU 45 -6.858 10.770 -6.433 331 1HD2 LEU 45 1HD2 LEU 45 -6.551 7.156 -7.571 332 2HD2 LEU 45 2HD2 LEU 45 -6.228 6.643 -5.915 333 3HD2 LEU 45 3HD2 LEU 45 -5.101 7.719 -6.739 334 HA PRO 46 HA PRO 46 -10.635 9.101 -0.833 335 1HB PRO 46 2HB PRO 46 -12.398 7.235 -1.751 336 2HB PRO 46 1HB PRO 46 -12.589 8.969 -2.026 337 1HG PRO 46 2HG PRO 46 -11.486 6.871 -3.854 338 2HG PRO 46 1HG PRO 46 -12.593 8.205 -4.225 339 1HD PRO 46 2HD PRO 46 -9.964 8.326 -4.799 340 2HD PRO 46 1HD PRO 46 -10.884 9.764 -4.308 341 H ILE 47 H ILE 47 -9.904 7.870 0.790 342 HA ILE 47 HA ILE 47 -8.180 5.738 0.643 343 HB ILE 47 HB ILE 47 -10.282 6.165 2.778 344 1HG1 ILE 47 2HG1 ILE 47 -7.426 7.148 2.587 345 2HG1 ILE 47 1HG1 ILE 47 -8.868 8.143 2.400 346 1HG2 ILE 47 1HG2 ILE 47 -8.343 4.103 2.414 347 2HG2 ILE 47 2HG2 ILE 47 -9.496 4.324 3.730 348 3HG2 ILE 47 3HG2 ILE 47 -7.902 5.070 3.820 349 1HD1 ILE 47 1HD1 ILE 47 -7.474 7.770 4.716 350 2HD1 ILE 47 2HD1 ILE 47 -8.816 6.640 4.892 351 3HD1 ILE 47 3HD1 ILE 47 -9.136 8.349 4.599 352 H LEU 48 H LEU 48 -11.638 5.727 0.234 353 HA LEU 48 HA LEU 48 -12.180 3.004 0.617 354 1HB LEU 48 2HB LEU 48 -13.934 4.685 0.359 355 2HB LEU 48 1HB LEU 48 -13.434 4.980 -1.295 356 HG LEU 48 HG LEU 48 -14.359 2.256 -0.455 357 1HD1 LEU 48 1HD1 LEU 48 -16.448 2.932 -0.158 358 2HD1 LEU 48 2HD1 LEU 48 -16.442 3.704 -1.744 359 3HD1 LEU 48 3HD1 LEU 48 -15.920 4.607 -0.322 360 1HD2 LEU 48 1HD2 LEU 48 -14.523 1.829 -2.688 361 2HD2 LEU 48 2HD2 LEU 48 -13.236 3.033 -2.736 362 3HD2 LEU 48 3HD2 LEU 48 -14.897 3.504 -3.094 363 H GLU 49 H GLU 49 -11.097 4.817 -2.201 364 HA GLU 49 HA GLU 49 -10.963 2.578 -3.967 365 1HB GLU 49 2HB GLU 49 -10.159 5.439 -4.018 366 2HB GLU 49 1HB GLU 49 -9.288 4.366 -5.105 367 1HG GLU 49 2HG GLU 49 -12.272 4.791 -5.025 368 2HG GLU 49 1HG GLU 49 -11.147 5.388 -6.246 369 H LEU 50 H LEU 50 -8.629 4.341 -1.962 370 HA LEU 50 HA LEU 50 -6.296 2.992 -2.721 371 1HB LEU 50 2HB LEU 50 -7.185 4.591 -0.408 372 2HB LEU 50 1HB LEU 50 -5.854 3.502 -0.085 373 HG LEU 50 HG LEU 50 -4.562 4.532 -1.905 374 1HD1 LEU 50 1HD1 LEU 50 -6.356 5.232 -3.357 375 2HD1 LEU 50 2HD1 LEU 50 -5.388 6.636 -2.904 376 3HD1 LEU 50 3HD1 LEU 50 -6.950 6.356 -2.135 377 1HD2 LEU 50 1HD2 LEU 50 -5.656 6.437 0.154 378 2HD2 LEU 50 2HD2 LEU 50 -4.226 6.740 -0.832 379 3HD2 LEU 50 3HD2 LEU 50 -4.241 5.399 0.313 380 H SER 51 H SER 51 -8.556 2.274 -0.094 381 HA SER 51 HA SER 51 -7.315 0.075 1.018 382 1HB SER 51 2HB SER 51 -10.290 0.512 0.644 383 2HB SER 51 1HB SER 51 -9.552 -0.602 1.796 384 HG SER 51 HG SER 51 -9.651 2.200 1.825 385 H HIS 52 H HIS 52 -9.804 0.012 -1.574 386 HA HIS 52 HA HIS 52 -9.755 -2.731 -2.007 387 1HB HIS 52 2HB HIS 52 -11.436 -1.446 -3.109 388 2HB HIS 52 1HB HIS 52 -10.237 -0.469 -3.948 389 HD1 HIS 52 HD1 HIS 52 -10.740 -4.264 -3.790 390 HD2 HIS 52 HD2 HIS 52 -10.331 -1.165 -6.523 391 HE1 HIS 52 HE1 HIS 52 -10.749 -5.334 -6.080 392 H ILE 53 H ILE 53 -7.735 -0.224 -3.510 393 HA ILE 53 HA ILE 53 -6.292 -1.824 -5.258 394 HB ILE 53 HB ILE 53 -5.221 0.522 -3.680 395 1HG1 ILE 53 2HG1 ILE 53 -6.656 0.384 -6.336 396 2HG1 ILE 53 1HG1 ILE 53 -7.258 1.122 -4.857 397 1HG2 ILE 53 1HG2 ILE 53 -3.305 -0.136 -4.656 398 2HG2 ILE 53 2HG2 ILE 53 -4.005 0.596 -6.099 399 3HG2 ILE 53 3HG2 ILE 53 -4.136 -1.143 -5.840 400 1HD1 ILE 53 1HD1 ILE 53 -6.384 3.041 -5.504 401 2HD1 ILE 53 2HD1 ILE 53 -5.681 2.271 -6.925 402 3HD1 ILE 53 3HD1 ILE 53 -4.777 2.321 -5.412 403 H TRP 54 H TRP 54 -5.796 -1.351 -1.769 404 HA TRP 54 HA TRP 54 -3.282 -2.583 -1.621 405 1HB TRP 54 2HB TRP 54 -4.298 -1.355 0.276 406 2HB TRP 54 1HB TRP 54 -5.445 -2.681 0.494 407 HD1 TRP 54 HD1 TRP 54 -4.490 -4.995 1.436 408 HE1 TRP 54 HE1 TRP 54 -2.340 -5.575 2.724 409 HE3 TRP 54 HE3 TRP 54 -1.835 -0.708 0.569 410 HZ2 TRP 54 HZ2 TRP 54 0.133 -4.366 3.318 411 HZ3 TRP 54 HZ3 TRP 54 0.412 -0.496 1.550 412 HH2 TRP 54 HH2 TRP 54 1.378 -2.293 2.889 413 H GLU 55 H GLU 55 -6.528 -4.050 -1.277 414 HA GLU 55 HA GLU 55 -5.764 -6.657 -0.741 415 1HB GLU 55 2HB GLU 55 -8.112 -5.334 -1.831 416 2HB GLU 55 1HB GLU 55 -7.882 -6.938 -2.517 417 1HG GLU 55 2HG GLU 55 -9.299 -7.070 -0.589 418 2HG GLU 55 1HG GLU 55 -7.764 -7.870 -0.252 419 H LEU 56 H LEU 56 -6.118 -5.073 -3.867 420 HA LEU 56 HA LEU 56 -5.397 -7.326 -5.426 421 1HB LEU 56 2HB LEU 56 -5.651 -4.382 -5.928 422 2HB LEU 56 1HB LEU 56 -5.021 -5.438 -7.177 423 HG LEU 56 HG LEU 56 -7.100 -6.747 -7.123 424 1HD1 LEU 56 1HD1 LEU 56 -8.156 -4.658 -5.230 425 2HD1 LEU 56 2HD1 LEU 56 -7.612 -6.258 -4.725 426 3HD1 LEU 56 3HD1 LEU 56 -8.988 -6.099 -5.818 427 1HD2 LEU 56 1HD2 LEU 56 -7.103 -3.831 -7.702 428 2HD2 LEU 56 2HD2 LEU 56 -8.630 -4.710 -7.793 429 3HD2 LEU 56 3HD2 LEU 56 -7.266 -5.203 -8.797 430 H SER 57 H SER 57 -3.579 -4.377 -4.571 431 HA SER 57 HA SER 57 -1.155 -5.257 -5.758 432 1HB SER 57 2HB SER 57 -1.818 -3.042 -3.822 433 2HB SER 57 1HB SER 57 -0.184 -3.323 -4.411 434 HG SER 57 HG SER 57 -0.853 -2.866 -6.473 435 H ASP 58 H ASP 58 -2.573 -5.791 -2.650 436 HA ASP 58 HA ASP 58 -0.029 -6.751 -1.558 437 1HB ASP 58 2HB ASP 58 -1.470 -5.159 -0.220 438 2HB ASP 58 1HB ASP 58 -2.642 -6.464 -0.060 439 H PHE 59 H PHE 59 -0.450 -8.450 -3.325 440 HA PHE 59 HA PHE 59 -2.278 -10.450 -3.336 441 1HB PHE 59 2HB PHE 59 0.566 -10.272 -4.014 442 2HB PHE 59 1HB PHE 59 0.004 -11.907 -3.684 443 HD1 PHE 59 HD1 PHE 59 -0.839 -8.885 -5.686 444 HD2 PHE 59 HD2 PHE 59 -1.028 -13.123 -5.333 445 HE1 PHE 59 HE1 PHE 59 -1.782 -9.031 -7.954 446 HE2 PHE 59 HE2 PHE 59 -1.968 -13.277 -7.599 447 HZ PHE 59 HZ PHE 59 -2.345 -11.229 -8.914 448 H ASP 60 H ASP 60 0.167 -9.978 -0.915 449 HA ASP 60 HA ASP 60 -0.369 -12.596 0.256 450 1HB ASP 60 2HB ASP 60 1.486 -11.944 1.812 451 2HB ASP 60 1HB ASP 60 1.949 -11.968 0.109 452 H LYS 61 H LYS 61 -1.310 -9.323 0.630 453 HA LYS 61 HA LYS 61 -2.612 -8.260 2.170 454 1HB LYS 61 2HB LYS 61 -3.409 -11.133 2.534 455 2HB LYS 61 1HB LYS 61 -4.101 -9.885 3.560 456 1HG LYS 61 2HG LYS 61 -4.280 -10.064 0.558 457 2HG LYS 61 1HG LYS 61 -5.583 -10.325 1.719 458 1HD LYS 61 2HD LYS 61 -4.088 -7.723 1.447 459 2HD LYS 61 1HD LYS 61 -5.595 -8.081 0.600 460 1HE LYS 61 2HE LYS 61 -5.880 -6.790 2.713 461 2HE LYS 61 1HE LYS 61 -6.787 -8.299 2.648 462 1HZ LYS 61 1HZ LYS 61 -5.567 -7.762 4.778 463 2HZ LYS 61 2HZ LYS 61 -4.138 -8.116 3.944 464 3HZ LYS 61 3HZ LYS 61 -5.321 -9.308 4.134 465 H ASP 62 H ASP 62 0.042 -8.612 2.836 466 HA ASP 62 HA ASP 62 0.118 -9.430 5.652 467 1HB ASP 62 2HB ASP 62 2.580 -9.136 5.398 468 2HB ASP 62 1HB ASP 62 1.897 -10.283 4.247 469 H GLY 63 H GLY 63 -0.832 -6.715 4.254 470 1HA GLY 63 2HA GLY 63 -0.940 -4.510 4.941 471 2HA GLY 63 1HA GLY 63 -0.377 -5.074 6.510 472 H ALA 64 H ALA 64 1.660 -5.896 3.945 473 HA ALA 64 HA ALA 64 3.355 -3.527 4.338 474 1HB ALA 64 1HB ALA 64 3.900 -6.090 5.367 475 2HB ALA 64 2HB ALA 64 4.975 -4.692 5.320 476 3HB ALA 64 3HB ALA 64 4.988 -5.859 3.998 477 H LEU 65 H LEU 65 3.946 -2.658 2.476 478 HA LEU 65 HA LEU 65 3.556 -4.172 0.039 479 1HB LEU 65 2HB LEU 65 3.191 -1.423 0.791 480 2HB LEU 65 1HB LEU 65 4.218 -1.544 -0.623 481 HG LEU 65 HG LEU 65 2.533 -2.671 -1.870 482 1HD1 LEU 65 1HD1 LEU 65 0.280 -2.645 -0.159 483 2HD1 LEU 65 2HD1 LEU 65 1.589 -3.494 0.664 484 3HD1 LEU 65 3HD1 LEU 65 1.062 -4.022 -0.934 485 1HD2 LEU 65 1HD2 LEU 65 1.852 -0.580 -2.244 486 2HD2 LEU 65 2HD2 LEU 65 1.942 -0.151 -0.536 487 3HD2 LEU 65 3HD2 LEU 65 0.513 -0.971 -1.166 488 H THR 66 H THR 66 5.114 -4.703 -1.330 489 HA THR 66 HA THR 66 7.863 -4.011 -0.549 490 HB THR 66 HB THR 66 8.624 -5.913 -1.727 491 HG1 THR 66 HG1 THR 66 6.408 -7.038 -2.697 492 1HG2 THR 66 1HG2 THR 66 6.212 -7.279 -0.795 493 2HG2 THR 66 2HG2 THR 66 6.877 -6.144 0.379 494 3HG2 THR 66 3HG2 THR 66 7.884 -7.443 -0.259 495 H LEU 67 H LEU 67 9.385 -3.365 -2.225 496 HA LEU 67 HA LEU 67 8.604 -1.319 -3.836 497 1HB LEU 67 2HB LEU 67 10.972 -2.430 -3.401 498 2HB LEU 67 1HB LEU 67 10.656 -3.194 -4.946 499 HG LEU 67 HG LEU 67 10.816 -0.225 -4.423 500 1HD1 LEU 67 1HD1 LEU 67 12.743 -0.506 -6.084 501 2HD1 LEU 67 2HD1 LEU 67 12.655 -2.224 -5.694 502 3HD1 LEU 67 3HD1 LEU 67 13.001 -1.049 -4.426 503 1HD2 LEU 67 1HD2 LEU 67 10.495 -1.591 -7.084 504 2HD2 LEU 67 2HD2 LEU 67 10.421 0.136 -6.726 505 3HD2 LEU 67 3HD2 LEU 67 9.137 -0.937 -6.167 506 H ASP 68 H ASP 68 8.437 -4.755 -4.525 507 HA ASP 68 HA ASP 68 7.668 -4.658 -7.239 508 1HB ASP 68 2HB ASP 68 8.024 -6.606 -5.195 509 2HB ASP 68 1HB ASP 68 6.412 -6.832 -5.852 510 H GLU 69 H GLU 69 5.739 -4.993 -4.267 511 HA GLU 69 HA GLU 69 3.208 -4.841 -5.485 512 1HB GLU 69 2HB GLU 69 4.082 -4.050 -2.688 513 2HB GLU 69 1HB GLU 69 2.404 -4.159 -3.202 514 1HG GLU 69 2HG GLU 69 2.672 -6.537 -3.642 515 2HG GLU 69 1HG GLU 69 4.372 -6.443 -3.190 516 H PHE 70 H PHE 70 5.419 -2.421 -4.275 517 HA PHE 70 HA PHE 70 3.853 -0.114 -4.483 518 1HB PHE 70 2HB PHE 70 5.894 0.029 -3.293 519 2HB PHE 70 1HB PHE 70 6.804 -0.681 -4.614 520 HD1 PHE 70 HD1 PHE 70 4.352 2.043 -4.993 521 HD2 PHE 70 HD2 PHE 70 8.464 0.959 -4.804 522 HE1 PHE 70 HE1 PHE 70 4.978 4.287 -5.787 523 HE2 PHE 70 HE2 PHE 70 9.097 3.194 -5.604 524 HZ PHE 70 HZ PHE 70 7.362 4.867 -6.079 525 H CYS 71 H CYS 71 6.263 -1.390 -6.727 526 HA CYS 71 HA CYS 71 5.897 0.418 -8.812 527 1HB CYS 71 2HB CYS 71 7.032 -2.309 -8.545 528 2HB CYS 71 1HB CYS 71 6.620 -1.806 -10.175 529 HG CYS 71 HG CYS 71 8.388 0.219 -10.367 530 H ALA 72 H ALA 72 4.480 -2.837 -8.495 531 HA ALA 72 HA ALA 72 2.828 -2.654 -10.759 532 1HB ALA 72 1HB ALA 72 2.130 -4.718 -10.178 533 2HB ALA 72 2HB ALA 72 1.825 -4.256 -8.502 534 3HB ALA 72 3HB ALA 72 3.467 -4.620 -9.030 535 H ALA 73 H ALA 73 2.145 -1.961 -7.346 536 HA ALA 73 HA ALA 73 -0.578 -1.397 -7.594 537 1HB ALA 73 1HB ALA 73 0.137 -1.659 -5.414 538 2HB ALA 73 2HB ALA 73 -0.107 0.083 -5.519 539 3HB ALA 73 3HB ALA 73 1.520 -0.588 -5.627 540 H PHE 74 H PHE 74 2.142 0.933 -7.532 541 HA PHE 74 HA PHE 74 0.657 3.236 -7.873 542 1HB PHE 74 2HB PHE 74 3.270 2.819 -7.646 543 2HB PHE 74 1HB PHE 74 3.214 3.017 -9.397 544 HD1 PHE 74 HD1 PHE 74 2.543 5.138 -10.389 545 HD2 PHE 74 HD2 PHE 74 2.850 4.660 -6.172 546 HE1 PHE 74 HE1 PHE 74 2.518 7.582 -10.113 547 HE2 PHE 74 HE2 PHE 74 2.822 7.103 -5.889 548 HZ PHE 74 HZ PHE 74 2.655 8.567 -7.861 549 H HIS 75 H HIS 75 2.025 1.163 -10.436 550 HA HIS 75 HA HIS 75 1.081 2.590 -12.643 551 1HB HIS 75 2HB HIS 75 2.471 0.248 -12.191 552 2HB HIS 75 1HB HIS 75 0.986 -0.315 -12.935 553 HD1 HIS 75 HD1 HIS 75 3.200 2.708 -13.763 554 HD2 HIS 75 HD2 HIS 75 1.512 -0.665 -15.521 555 HE1 HIS 75 HE1 HIS 75 3.814 2.792 -16.211 556 H LEU 76 H LEU 76 -0.379 -0.191 -10.983 557 HA LEU 76 HA LEU 76 -2.736 -0.335 -12.433 558 1HB LEU 76 2HB LEU 76 -1.786 -1.947 -10.730 559 2HB LEU 76 1HB LEU 76 -2.453 -0.901 -9.490 560 HG LEU 76 HG LEU 76 -4.140 -2.132 -11.640 561 1HD1 LEU 76 1HD1 LEU 76 -2.894 -3.828 -10.240 562 2HD1 LEU 76 2HD1 LEU 76 -4.655 -3.946 -10.221 563 3HD1 LEU 76 3HD1 LEU 76 -3.805 -3.216 -8.858 564 1HD2 LEU 76 1HD2 LEU 76 -4.795 -0.990 -8.928 565 2HD2 LEU 76 2HD2 LEU 76 -5.955 -1.689 -10.060 566 3HD2 LEU 76 3HD2 LEU 76 -5.094 -0.208 -10.480 567 H VAL 77 H VAL 77 -2.087 1.496 -9.436 568 HA VAL 77 HA VAL 77 -4.623 2.559 -9.022 569 HB VAL 77 HB VAL 77 -1.966 3.931 -8.551 570 1HG1 VAL 77 1HG1 VAL 77 -3.363 5.074 -6.719 571 2HG1 VAL 77 2HG1 VAL 77 -4.761 4.552 -7.659 572 3HG1 VAL 77 3HG1 VAL 77 -3.564 5.628 -8.381 573 1HG2 VAL 77 1HG2 VAL 77 -1.656 2.336 -7.023 574 2HG2 VAL 77 2HG2 VAL 77 -3.287 1.705 -7.256 575 3HG2 VAL 77 3HG2 VAL 77 -3.009 3.038 -6.135 576 H VAL 78 H VAL 78 -2.007 3.728 -11.062 577 HA VAL 78 HA VAL 78 -2.987 6.131 -11.969 578 HB VAL 78 HB VAL 78 -1.604 3.984 -13.574 579 1HG1 VAL 78 1HG1 VAL 78 -0.890 6.562 -14.459 580 2HG1 VAL 78 2HG1 VAL 78 -2.652 6.507 -14.380 581 3HG1 VAL 78 3HG1 VAL 78 -1.773 5.311 -15.332 582 1HG2 VAL 78 1HG2 VAL 78 0.067 4.367 -12.160 583 2HG2 VAL 78 2HG2 VAL 78 -0.726 5.788 -11.481 584 3HG2 VAL 78 3HG2 VAL 78 0.234 5.934 -12.954 585 H ALA 79 H ALA 79 -3.799 2.874 -13.065 586 HA ALA 79 HA ALA 79 -5.314 3.401 -15.300 587 1HB ALA 79 1HB ALA 79 -4.746 1.144 -14.233 588 2HB ALA 79 2HB ALA 79 -6.309 1.305 -15.037 589 3HB ALA 79 3HB ALA 79 -6.210 1.380 -13.278 590 H ARG 80 H ARG 80 -6.281 3.656 -11.920 591 HA ARG 80 HA ARG 80 -9.013 4.168 -12.448 592 1HB ARG 80 2HB ARG 80 -8.553 3.574 -10.247 593 2HB ARG 80 1HB ARG 80 -7.232 4.735 -10.110 594 1HG ARG 80 2HG ARG 80 -8.683 6.564 -9.963 595 2HG ARG 80 1HG ARG 80 -10.039 5.642 -10.608 596 1HD ARG 80 2HD ARG 80 -8.753 4.885 -8.025 597 2HD ARG 80 1HD ARG 80 -10.006 6.134 -8.090 598 HE ARG 80 HE ARG 80 -10.437 3.364 -8.137 599 1HH1 ARG 80 2HH1 ARG 80 -11.400 6.133 -9.985 600 2HH1 ARG 80 1HH1 ARG 80 -12.969 5.500 -10.337 601 1HH2 ARG 80 1HH2 ARG 80 -12.534 2.615 -8.526 602 2HH2 ARG 80 2HH2 ARG 80 -13.598 3.536 -9.531 603 H LYS 81 H LYS 81 -6.207 6.281 -12.120 604 HA LYS 81 HA LYS 81 -7.676 8.705 -12.089 605 1HB LYS 81 2HB LYS 81 -4.806 8.106 -12.792 606 2HB LYS 81 1HB LYS 81 -5.457 9.740 -12.726 607 1HG LYS 81 2HG LYS 81 -6.076 9.338 -10.358 608 2HG LYS 81 1HG LYS 81 -5.259 7.774 -10.451 609 1HD LYS 81 2HD LYS 81 -3.434 9.633 -11.469 610 2HD LYS 81 1HD LYS 81 -4.154 10.414 -10.062 611 1HE LYS 81 2HE LYS 81 -2.884 7.674 -10.087 612 2HE LYS 81 1HE LYS 81 -2.125 9.147 -9.492 613 1HZ LYS 81 1HZ LYS 81 -3.196 8.998 -7.561 614 2HZ LYS 81 2HZ LYS 81 -3.579 7.406 -7.999 615 3HZ LYS 81 3HZ LYS 81 -4.688 8.651 -8.294 616 H ASN 82 H ASN 82 -6.103 6.869 -14.662 617 HA ASN 82 HA ASN 82 -7.892 7.995 -16.629 618 1HB ASN 82 2HB ASN 82 -5.050 8.869 -16.427 619 2HB ASN 82 1HB ASN 82 -5.725 8.627 -18.036 620 1HD2 ASN 82 1HD2 ASN 82 -8.120 9.548 -18.044 621 2HD2 ASN 82 2HD2 ASN 82 -8.213 11.195 -17.539 622 H GLY 83 H GLY 83 -7.763 5.425 -15.926 623 1HA GLY 83 2HA GLY 83 -6.466 4.188 -18.271 624 2HA GLY 83 1HA GLY 83 -6.345 3.446 -16.683 625 H TYR 84 H TYR 84 -7.671 1.766 -16.457 626 HA TYR 84 HA TYR 84 -10.325 1.946 -17.716 627 1HB TYR 84 2HB TYR 84 -8.645 -0.558 -17.446 628 2HB TYR 84 1HB TYR 84 -10.239 -0.450 -18.191 629 HD1 TYR 84 HD1 TYR 84 -10.111 -0.684 -20.497 630 HD2 TYR 84 HD2 TYR 84 -7.079 1.537 -18.494 631 HE1 TYR 84 HE1 TYR 84 -9.061 -0.169 -22.663 632 HE2 TYR 84 HE2 TYR 84 -6.028 2.059 -20.652 633 HH TYR 84 HH TYR 84 -6.487 2.140 -22.954 634 H ASP 85 H ASP 85 -12.032 1.538 -16.436 635 HA ASP 85 HA ASP 85 -11.823 1.586 -13.684 636 1HB ASP 85 2HB ASP 85 -13.887 1.588 -15.574 637 2HB ASP 85 1HB ASP 85 -14.258 0.260 -14.476 638 H LEU 86 H LEU 86 -12.101 0.094 -12.048 639 HA LEU 86 HA LEU 86 -11.192 -2.594 -12.713 640 1HB LEU 86 2HB LEU 86 -11.427 -1.118 -10.096 641 2HB LEU 86 1HB LEU 86 -10.904 -2.788 -10.225 642 HG LEU 86 HG LEU 86 -8.984 -1.321 -10.000 643 1HD1 LEU 86 1HD1 LEU 86 -9.069 -2.247 -12.856 644 2HD1 LEU 86 2HD1 LEU 86 -8.963 -3.368 -11.500 645 3HD1 LEU 86 3HD1 LEU 86 -7.686 -2.181 -11.764 646 1HD2 LEU 86 1HD2 LEU 86 -10.258 0.617 -11.142 647 2HD2 LEU 86 2HD2 LEU 86 -9.628 -0.063 -12.641 648 3HD2 LEU 86 3HD2 LEU 86 -8.516 0.486 -11.387 649 HA PRO 87 HA PRO 87 -15.170 -4.504 -12.388 650 1HB PRO 87 2HB PRO 87 -14.302 -6.926 -11.336 651 2HB PRO 87 1HB PRO 87 -14.363 -6.518 -13.053 652 1HG PRO 87 2HG PRO 87 -12.049 -6.448 -11.167 653 2HG PRO 87 1HG PRO 87 -12.098 -6.943 -12.868 654 1HD PRO 87 2HD PRO 87 -11.113 -4.559 -12.138 655 2HD PRO 87 1HD PRO 87 -12.053 -4.749 -13.636 656 H GLU 88 H GLU 88 -12.956 -4.535 -9.660 657 HA GLU 88 HA GLU 88 -13.303 -4.156 -7.446 658 1HB GLU 88 2HB GLU 88 -15.840 -3.302 -8.600 659 2HB GLU 88 1HB GLU 88 -15.996 -3.902 -6.954 660 1HG GLU 88 2HG GLU 88 -13.792 -2.291 -6.788 661 2HG GLU 88 1HG GLU 88 -14.806 -1.438 -7.950 662 H LYS 89 H LYS 89 -14.715 -4.978 -5.544 663 HA LYS 89 HA LYS 89 -15.291 -6.727 -4.239 664 1HB LYS 89 2HB LYS 89 -16.680 -7.284 -6.770 665 2HB LYS 89 1HB LYS 89 -16.435 -8.690 -5.737 666 1HG LYS 89 2HG LYS 89 -18.468 -7.924 -4.997 667 2HG LYS 89 1HG LYS 89 -17.367 -7.135 -3.867 668 1HD LYS 89 2HD LYS 89 -18.550 -5.299 -4.438 669 2HD LYS 89 1HD LYS 89 -17.445 -5.280 -5.817 670 1HE LYS 89 2HE LYS 89 -20.242 -6.389 -5.707 671 2HE LYS 89 1HE LYS 89 -19.667 -5.020 -6.656 672 1HZ LYS 89 1HZ LYS 89 -18.652 -6.379 -8.174 673 2HZ LYS 89 2HZ LYS 89 -19.975 -7.345 -7.748 674 3HZ LYS 89 3HZ LYS 89 -18.451 -7.660 -7.084 675 H LEU 90 H LEU 90 -13.799 -7.936 -3.371 676 HA LEU 90 HA LEU 90 -11.693 -9.104 -4.838 677 1HB LEU 90 2HB LEU 90 -12.372 -8.692 -2.110 678 2HB LEU 90 1HB LEU 90 -11.945 -10.383 -2.313 679 HG LEU 90 HG LEU 90 -9.825 -9.656 -3.413 680 1HD1 LEU 90 1HD1 LEU 90 -11.120 -7.197 -3.512 681 2HD1 LEU 90 2HD1 LEU 90 -9.441 -7.531 -3.942 682 3HD1 LEU 90 3HD1 LEU 90 -9.846 -6.988 -2.313 683 1HD2 LEU 90 1HD2 LEU 90 -10.296 -8.648 -0.611 684 2HD2 LEU 90 2HD2 LEU 90 -8.720 -8.958 -1.343 685 3HD2 LEU 90 3HD2 LEU 90 -9.842 -10.290 -1.066 686 HA PRO 91 HA PRO 91 -13.318 -12.913 -6.277 687 1HB PRO 91 2HB PRO 91 -11.117 -14.526 -5.728 688 2HB PRO 91 1HB PRO 91 -11.356 -13.576 -7.195 689 1HG PRO 91 2HG PRO 91 -9.729 -12.953 -4.779 690 2HG PRO 91 1HG PRO 91 -9.405 -12.581 -6.481 691 1HD PRO 91 2HD PRO 91 -10.272 -10.710 -4.753 692 2HD PRO 91 1HD PRO 91 -10.769 -10.711 -6.461 693 H GLU 92 H GLU 92 -14.872 -13.785 -5.084 694 HA GLU 92 HA GLU 92 -15.019 -14.213 -2.392 695 1HB GLU 92 2HB GLU 92 -16.240 -15.977 -4.517 696 2HB GLU 92 1HB GLU 92 -16.808 -15.803 -2.863 697 1HG GLU 92 2HG GLU 92 -16.668 -13.223 -4.048 698 2HG GLU 92 1HG GLU 92 -17.531 -14.306 -5.141 699 H SER 93 H SER 93 -13.876 -16.526 -4.815 700 HA SER 93 HA SER 93 -13.137 -18.416 -2.710 701 1HB SER 93 2HB SER 93 -12.981 -18.794 -5.705 702 2HB SER 93 1HB SER 93 -12.922 -20.049 -4.467 703 HG SER 93 HG SER 93 -15.121 -19.090 -3.904 704 H LEU 94 H LEU 94 -11.698 -16.174 -4.916 705 HA LEU 94 HA LEU 94 -9.058 -17.362 -4.493 706 1HB LEU 94 2HB LEU 94 -9.816 -15.068 -6.286 707 2HB LEU 94 1HB LEU 94 -8.271 -15.890 -6.240 708 HG LEU 94 HG LEU 94 -10.007 -17.952 -6.743 709 1HD1 LEU 94 1HD1 LEU 94 -11.724 -17.343 -8.103 710 2HD1 LEU 94 2HD1 LEU 94 -10.897 -15.897 -8.683 711 3HD1 LEU 94 3HD1 LEU 94 -11.654 -15.899 -7.091 712 1HD2 LEU 94 1HD2 LEU 94 -7.909 -17.703 -7.834 713 2HD2 LEU 94 2HD2 LEU 94 -8.416 -16.198 -8.600 714 3HD2 LEU 94 3HD2 LEU 94 -9.148 -17.726 -9.089 715 H MET 95 H MET 95 -10.321 -16.075 -2.269 716 HA MET 95 HA MET 95 -9.286 -13.448 -1.965 717 1HB MET 95 2HB MET 95 -10.331 -15.484 -0.012 718 2HB MET 95 1HB MET 95 -9.644 -13.962 0.529 719 1HG MET 95 2HG MET 95 -11.327 -12.830 -0.994 720 2HG MET 95 1HG MET 95 -12.111 -14.408 -1.116 721 1HE MET 95 1HE MET 95 -11.787 -15.778 1.194 722 2HE MET 95 2HE MET 95 -12.947 -15.316 2.441 723 3HE MET 95 3HE MET 95 -11.244 -14.890 2.617 724 HA PRO 96 HA PRO 96 -5.000 -14.216 -1.364 725 1HB PRO 96 2HB PRO 96 -4.565 -12.278 0.597 726 2HB PRO 96 1HB PRO 96 -4.503 -12.021 -1.148 727 1HG PRO 96 2HG PRO 96 -6.720 -11.476 0.773 728 2HG PRO 96 1HG PRO 96 -6.204 -10.545 -0.645 729 1HD PRO 96 2HD PRO 96 -8.388 -12.091 -0.713 730 2HD PRO 96 1HD PRO 96 -7.314 -11.952 -2.124 731 H LYS 97 HN LYS 97 -5.972 -16.287 -0.226 732 HA LYS 97 HA LYS 97 -5.440 -16.230 2.658 733 1HB LYS 97 2HB LYS 97 -6.763 -18.313 0.915 734 2HB LYS 97 1HB LYS 97 -6.498 -18.488 2.645 735 1HG LYS 97 2HG LYS 97 -8.032 -16.176 1.513 736 2HG LYS 97 1HG LYS 97 -8.802 -17.723 1.871 737 1HD LYS 97 2HD LYS 97 -7.188 -16.182 3.893 738 2HD LYS 97 1HD LYS 97 -8.931 -15.980 3.696 739 1HE LYS 97 2HE LYS 97 -7.510 -18.560 4.361 740 2HE LYS 97 1HE LYS 97 -8.405 -17.553 5.498 741 1HZ LYS 97 1HZ LYS 97 -9.661 -19.496 4.615 742 2HZ LYS 97 2HZ LYS 97 -9.626 -18.776 3.084 743 3HZ LYS 97 3HZ LYS 97 -10.425 -18.007 4.362
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