NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21033 | 2gzp | 7178 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 16.839 -1.554 22.779 2 2H MET 1 2HT MET 1 18.436 -1.295 22.282 3 3H MET 1 3HT MET 1 18.059 -2.634 23.250 4 HA MET 1 HA MET 1 18.370 -3.384 21.039 5 1HB MET 1 2HB MET 1 16.227 -4.449 20.605 6 2HB MET 1 1HB MET 1 16.547 -4.440 22.330 7 1HG MET 1 2HG MET 1 14.718 -2.522 20.900 8 2HG MET 1 1HG MET 1 14.202 -3.967 21.766 9 1HE MET 1 1HE MET 1 12.981 -1.021 24.061 10 2HE MET 1 2HE MET 1 12.497 -2.462 23.169 11 3HE MET 1 3HE MET 1 13.045 -1.030 22.298 12 H ALA 2 H ALA 2 18.660 -2.744 19.042 13 HA ALA 2 HA ALA 2 18.591 -1.551 17.122 14 1HB ALA 2 1HB ALA 2 15.721 -0.969 17.852 15 2HB ALA 2 2HB ALA 2 16.286 -2.399 16.987 16 3HB ALA 2 3HB ALA 2 16.456 -0.804 16.258 17 H ASN 3 H ASN 3 17.571 0.792 16.320 18 HA ASN 3 HA ASN 3 17.843 2.790 18.391 19 1HB ASN 3 2HB ASN 3 19.673 3.995 17.369 20 2HB ASN 3 1HB ASN 3 20.199 2.344 17.671 21 1HD2 ASN 3 1HD2 ASN 3 21.307 4.249 15.857 22 2HD2 ASN 3 2HD2 ASN 3 21.186 3.566 14.269 23 H ASP 4 H ASP 4 17.869 5.059 17.011 24 HA ASP 4 HA ASP 4 15.296 5.101 15.839 25 1HB ASP 4 2HB ASP 4 17.464 7.171 16.085 26 2HB ASP 4 1HB ASP 4 15.963 7.505 15.229 27 H THR 5 H THR 5 18.091 6.537 14.214 28 HA THR 5 HA THR 5 18.754 6.553 12.046 29 HB THR 5 HB THR 5 17.477 3.813 11.889 30 HG1 THR 5 1HG THR 5 19.060 3.426 13.275 31 1HG2 THR 5 1HG2 THR 5 17.925 4.788 9.687 32 2HG2 THR 5 2HG2 THR 5 19.027 3.450 10.018 33 3HG2 THR 5 3HG2 THR 5 19.591 5.115 10.165 34 HA PRO 6 HA PRO 6 14.723 8.185 10.630 35 1HB PRO 6 2HB PRO 6 16.538 9.937 9.089 36 2HB PRO 6 1HB PRO 6 15.204 10.367 10.164 37 1HG PRO 6 2HG PRO 6 17.748 10.749 10.894 38 2HG PRO 6 1HG PRO 6 16.516 10.239 12.066 39 1HD PRO 6 2HD PRO 6 18.623 8.607 10.694 40 2HD PRO 6 1HD PRO 6 18.067 8.543 12.380 41 H PHE 7 H PHE 7 14.251 6.334 9.409 42 HA PHE 7 HA PHE 7 13.720 5.241 7.491 43 1HB PHE 7 2HB PHE 7 13.313 7.693 6.793 44 2HB PHE 7 1HB PHE 7 14.843 7.574 5.936 45 HD1 PHE 7 1HD PHE 7 11.760 5.493 6.295 46 HD2 PHE 7 2HD PHE 7 14.640 7.225 3.681 47 HE1 PHE 7 1HE PHE 7 10.580 4.535 4.361 48 HE2 PHE 7 2HE PHE 7 13.467 6.264 1.745 49 HZ PHE 7 HZ PHE 7 11.433 4.917 2.083 50 H SER 8 H SER 8 15.181 5.415 4.958 51 HA SER 8 HA SER 8 16.996 4.664 3.853 52 1HB SER 8 2HB SER 8 18.566 5.024 6.411 53 2HB SER 8 1HB SER 8 19.197 4.965 4.765 54 HG SER 8 HG SER 8 18.280 7.072 6.143 55 H ALA 9 H ALA 9 18.001 3.379 7.006 56 HA ALA 9 HA ALA 9 18.576 0.845 5.868 57 1HB ALA 9 1HB ALA 9 19.824 1.762 7.774 58 2HB ALA 9 2HB ALA 9 19.159 0.167 8.129 59 3HB ALA 9 3HB ALA 9 18.383 1.610 8.779 60 H LEU 10 H LEU 10 15.836 2.164 7.564 61 HA LEU 10 HA LEU 10 14.587 -0.228 8.354 62 1HB LEU 10 2HB LEU 10 13.290 2.398 7.615 63 2HB LEU 10 1HB LEU 10 12.554 1.116 8.557 64 HG LEU 10 HG LEU 10 14.944 2.760 9.392 65 1HD1 LEU 10 1HD1 LEU 10 12.878 4.042 9.419 66 2HD1 LEU 10 2HD1 LEU 10 13.416 3.694 11.063 67 3HD1 LEU 10 3HD1 LEU 10 12.087 2.774 10.356 68 1HD2 LEU 10 1HD2 LEU 10 15.027 0.471 10.262 69 2HD2 LEU 10 2HD2 LEU 10 13.399 0.660 10.911 70 3HD2 LEU 10 3HD2 LEU 10 14.719 1.642 11.545 71 H TRP 11 H TRP 11 14.743 1.420 5.304 72 HA TRP 11 HA TRP 11 12.456 0.394 4.044 73 1HB TRP 11 2HB TRP 11 13.734 2.278 3.150 74 2HB TRP 11 1HB TRP 11 15.113 1.228 2.858 75 HD1 TRP 11 HD TRP 11 15.075 -0.267 0.671 76 HE1 TRP 11 1HE TRP 11 13.565 -0.275 -1.418 77 HE3 TRP 11 3HE TRP 11 11.255 2.665 2.397 78 HZ2 TRP 11 2HZ TRP 11 11.110 0.806 -2.224 79 HZ3 TRP 11 3HZ TRP 11 9.362 3.128 0.893 80 HH2 TRP 11 HH TRP 11 9.295 2.215 -1.373 81 H GLN 12 H GLN 12 15.715 -0.896 4.395 82 HA GLN 12 HA GLN 12 15.412 -2.999 2.538 83 1HB GLN 12 2HB GLN 12 17.316 -2.740 4.867 84 2HB GLN 12 1HB GLN 12 17.464 -3.882 3.547 85 1HG GLN 12 2HG GLN 12 17.642 -1.983 1.975 86 2HG GLN 12 1HG GLN 12 17.632 -0.893 3.361 87 1HE2 GLN 12 1HE2 GLN 12 19.440 -3.249 1.581 88 2HE2 GLN 12 2HE2 GLN 12 20.966 -2.952 2.339 89 H ARG 13 H ARG 13 14.929 -2.774 6.031 90 HA ARG 13 HA ARG 13 14.536 -5.591 6.353 91 1HB ARG 13 2HB ARG 13 15.361 -3.860 8.091 92 2HB ARG 13 1HB ARG 13 13.654 -3.522 8.344 93 1HG ARG 13 2HG ARG 13 14.565 -6.348 8.465 94 2HG ARG 13 1HG ARG 13 14.955 -5.280 9.812 95 1HD ARG 13 2HD ARG 13 12.174 -5.659 8.711 96 2HD ARG 13 1HD ARG 13 12.828 -6.576 10.069 97 HE ARG 13 HE ARG 13 13.043 -3.730 10.421 98 1HH1 ARG 13 1HH1 ARG 13 10.922 -6.494 10.769 99 2HH1 ARG 13 2HH1 ARG 13 9.962 -5.765 12.022 100 1HH2 ARG 13 1HH2 ARG 13 11.796 -2.778 12.074 101 2HH2 ARG 13 2HH2 ARG 13 10.474 -3.659 12.773 102 H LEU 14 H LEU 14 12.397 -2.832 5.812 103 HA LEU 14 HA LEU 14 10.015 -4.341 6.350 104 1HB LEU 14 2HB LEU 14 8.803 -2.448 5.376 105 2HB LEU 14 1HB LEU 14 9.955 -1.951 6.591 106 HG LEU 14 HG LEU 14 11.505 -1.424 4.563 107 1HD1 LEU 14 1HD1 LEU 14 8.789 -1.351 3.253 108 2HD1 LEU 14 2HD1 LEU 14 10.117 -2.437 2.839 109 3HD1 LEU 14 3HD1 LEU 14 10.281 -0.702 2.573 110 1HD2 LEU 14 1HD2 LEU 14 10.617 0.834 4.483 111 2HD2 LEU 14 2HD2 LEU 14 10.568 0.214 6.133 112 3HD2 LEU 14 3HD2 LEU 14 9.091 0.279 5.172 113 H LEU 15 H LEU 15 12.003 -3.689 3.606 114 HA LEU 15 HA LEU 15 10.417 -4.671 1.525 115 1HB LEU 15 2HB LEU 15 12.982 -3.692 1.810 116 2HB LEU 15 1HB LEU 15 13.261 -5.361 1.354 117 HG LEU 15 HG LEU 15 11.559 -3.443 -0.236 118 1HD1 LEU 15 1HD1 LEU 15 14.413 -4.313 -0.682 119 2HD1 LEU 15 2HD1 LEU 15 13.893 -2.709 -0.165 120 3HD1 LEU 15 3HD1 LEU 15 13.453 -3.305 -1.766 121 1HD2 LEU 15 1HD2 LEU 15 11.811 -5.125 -2.009 122 2HD2 LEU 15 2HD2 LEU 15 10.993 -5.788 -0.595 123 3HD2 LEU 15 3HD2 LEU 15 12.689 -6.166 -0.891 124 H THR 16 H THR 16 12.085 -6.291 4.078 125 HA THR 16 HA THR 16 12.400 -8.839 2.943 126 HB THR 16 HB THR 16 12.002 -8.161 5.863 127 HG1 THR 16 1HG THR 16 14.166 -7.817 4.104 128 1HG2 THR 16 1HG2 THR 16 11.884 -10.551 5.418 129 2HG2 THR 16 2HG2 THR 16 13.387 -10.156 6.252 130 3HG2 THR 16 3HG2 THR 16 13.400 -10.475 4.518 131 H ARG 17 H ARG 17 9.546 -7.255 4.234 132 HA ARG 17 HA ARG 17 8.066 -9.725 3.769 133 1HB ARG 17 2HB ARG 17 6.827 -9.460 5.921 134 2HB ARG 17 1HB ARG 17 8.511 -9.928 6.090 135 1HG ARG 17 2HG ARG 17 9.127 -7.720 6.771 136 2HG ARG 17 1HG ARG 17 7.514 -7.103 6.400 137 1HD ARG 17 2HD ARG 17 8.181 -9.154 8.511 138 2HD ARG 17 1HD ARG 17 7.819 -7.453 8.806 139 HE ARG 17 HE ARG 17 5.631 -8.261 7.481 140 1HH1 ARG 17 1HH1 ARG 17 7.329 -9.616 10.231 141 2HH1 ARG 17 2HH1 ARG 17 5.910 -10.373 10.897 142 1HH2 ARG 17 1HH2 ARG 17 3.774 -9.228 8.357 143 2HH2 ARG 17 2HH2 ARG 17 3.871 -10.123 9.846 144 H GLY 18 H GLY 18 6.917 -8.919 2.069 145 1HA GLY 18 2HA GLY 18 4.645 -8.399 1.621 146 2HA GLY 18 1HA GLY 18 4.657 -7.289 2.980 147 H TRP 19 H TRP 19 7.064 -5.914 2.225 148 HA TRP 19 HA TRP 19 5.847 -4.169 0.233 149 1HB TRP 19 2HB TRP 19 8.103 -3.814 2.198 150 2HB TRP 19 1HB TRP 19 7.767 -2.631 0.939 151 HD1 TRP 19 HD TRP 19 5.312 -4.461 3.342 152 HE1 TRP 19 1HE TRP 19 3.898 -2.670 4.519 153 HE3 TRP 19 3HE TRP 19 7.495 -0.275 1.374 154 HZ2 TRP 19 2HZ TRP 19 3.729 0.141 4.613 155 HZ3 TRP 19 3HZ TRP 19 6.649 1.929 2.067 156 HH2 TRP 19 HH TRP 19 4.802 2.130 3.651 157 H GLN 20 H GLN 20 6.699 -3.665 -1.689 158 HA GLN 20 HA GLN 20 9.406 -4.440 -2.383 159 1HB GLN 20 2HB GLN 20 8.124 -6.459 -2.929 160 2HB GLN 20 1HB GLN 20 6.997 -5.501 -3.880 161 1HG GLN 20 2HG GLN 20 8.746 -4.959 -5.461 162 2HG GLN 20 1HG GLN 20 9.926 -5.835 -4.485 163 1HE2 GLN 20 1HE2 GLN 20 9.886 -8.069 -4.456 164 2HE2 GLN 20 2HE2 GLN 20 9.036 -8.998 -5.640 165 HA PRO 21 HA PRO 21 8.723 -0.560 -4.502 166 1HB PRO 21 2HB PRO 21 11.411 -0.783 -5.548 167 2HB PRO 21 1HB PRO 21 10.796 0.320 -4.321 168 1HG PRO 21 2HG PRO 21 12.553 -1.706 -3.795 169 2HG PRO 21 1HG PRO 21 11.429 -1.037 -2.598 170 1HD PRO 21 2HD PRO 21 11.221 -3.553 -4.206 171 2HD PRO 21 1HD PRO 21 10.762 -3.253 -2.515 172 H VAL 22 H VAL 22 7.565 -0.540 -6.304 173 HA VAL 22 HA VAL 22 8.366 -2.288 -8.531 174 HB VAL 22 HB VAL 22 5.983 -2.099 -9.288 175 1HG1 VAL 22 1HG1 VAL 22 6.817 -4.046 -8.080 176 2HG1 VAL 22 2HG1 VAL 22 5.135 -3.706 -7.675 177 3HG1 VAL 22 3HG1 VAL 22 6.420 -3.267 -6.550 178 1HG2 VAL 22 1HG2 VAL 22 4.312 -1.369 -7.643 179 2HG2 VAL 22 2HG2 VAL 22 5.382 -0.048 -8.116 180 3HG2 VAL 22 3HG2 VAL 22 5.610 -0.855 -6.565 181 H GLU 23 H GLU 23 6.787 -1.210 -10.512 182 HA GLU 23 HA GLU 23 7.904 1.446 -10.976 183 1HB GLU 23 2HB GLU 23 8.476 -0.950 -12.727 184 2HB GLU 23 1HB GLU 23 8.910 0.708 -13.114 185 1HG GLU 23 2HG GLU 23 10.491 0.796 -11.360 186 2HG GLU 23 1HG GLU 23 9.906 -0.717 -10.665 187 H ALA 24 H ALA 24 7.372 1.691 -13.656 188 HA ALA 24 HA ALA 24 4.438 1.447 -13.646 189 1HB ALA 24 1HB ALA 24 4.414 3.348 -15.159 190 2HB ALA 24 2HB ALA 24 6.175 3.389 -15.156 191 3HB ALA 24 3HB ALA 24 5.283 3.737 -13.674 192 H SER 25 H SER 25 7.237 1.277 -15.855 193 HA SER 25 HA SER 25 5.666 0.358 -18.049 194 1HB SER 25 2HB SER 25 8.664 0.353 -17.632 195 2HB SER 25 1HB SER 25 7.858 -0.001 -19.161 196 HG SER 25 HG SER 25 8.582 2.225 -18.877 197 H THR 26 H THR 26 6.400 -1.246 -15.305 198 HA THR 26 HA THR 26 6.193 -3.827 -16.675 199 HB THR 26 HB THR 26 8.548 -3.592 -16.076 200 HG1 THR 26 1HG THR 26 6.939 -5.458 -14.719 201 1HG2 THR 26 1HG2 THR 26 8.344 -1.990 -14.259 202 2HG2 THR 26 2HG2 THR 26 9.245 -3.409 -13.731 203 3HG2 THR 26 3HG2 THR 26 7.560 -3.207 -13.250 204 H VAL 27 H VAL 27 4.500 -1.866 -14.945 205 HA VAL 27 HA VAL 27 3.970 -3.323 -12.541 206 HB VAL 27 HB VAL 27 3.605 -0.862 -12.735 207 1HG1 VAL 27 1HG1 VAL 27 1.193 -1.634 -14.366 208 2HG1 VAL 27 2HG1 VAL 27 2.616 -0.774 -14.953 209 3HG1 VAL 27 3HG1 VAL 27 1.557 -0.018 -13.762 210 1HG2 VAL 27 1HG2 VAL 27 2.602 -2.119 -10.922 211 2HG2 VAL 27 2HG2 VAL 27 1.195 -2.478 -11.922 212 3HG2 VAL 27 3HG2 VAL 27 1.531 -0.815 -11.436 213 H ASP 28 H ASP 28 2.533 -3.159 -15.745 214 HA ASP 28 HA ASP 28 0.151 -4.490 -15.371 215 1HB ASP 28 2HB ASP 28 2.078 -4.575 -17.695 216 2HB ASP 28 1HB ASP 28 0.487 -5.326 -17.745 217 H ASP 29 H ASP 29 3.348 -5.911 -15.999 218 HA ASP 29 HA ASP 29 2.408 -8.585 -16.016 219 1HB ASP 29 2HB ASP 29 4.563 -7.795 -17.065 220 2HB ASP 29 1HB ASP 29 5.245 -7.723 -15.443 221 H TRP 30 H TRP 30 3.681 -6.479 -13.508 222 HA TRP 30 HA TRP 30 4.034 -8.436 -11.513 223 1HB TRP 30 2HB TRP 30 4.868 -6.081 -11.362 224 2HB TRP 30 1HB TRP 30 3.210 -5.553 -11.090 225 HD1 TRP 30 HD TRP 30 6.130 -7.277 -9.358 226 HE1 TRP 30 1HE TRP 30 5.635 -7.460 -6.837 227 HE3 TRP 30 3HE TRP 30 1.254 -5.729 -9.371 228 HZ2 TRP 30 2HZ TRP 30 3.470 -7.014 -5.093 229 HZ3 TRP 30 3HZ TRP 30 0.043 -5.639 -7.231 230 HH2 TRP 30 HH TRP 30 1.128 -6.268 -5.137 231 H ILE 31 H ILE 31 1.281 -6.330 -12.253 232 HA ILE 31 HA ILE 31 -0.462 -7.316 -10.280 233 HB ILE 31 HB ILE 31 -1.229 -6.188 -12.981 234 1HG1 ILE 31 2HG1 ILE 31 -0.926 -4.671 -10.390 235 2HG1 ILE 31 1HG1 ILE 31 0.373 -4.793 -11.572 236 1HG2 ILE 31 1HG2 ILE 31 -3.077 -7.266 -11.798 237 2HG2 ILE 31 2HG2 ILE 31 -3.297 -5.516 -11.857 238 3HG2 ILE 31 3HG2 ILE 31 -2.741 -6.288 -10.370 239 1HD1 ILE 31 1HD1 ILE 31 -0.838 -2.711 -11.812 240 2HD1 ILE 31 2HD1 ILE 31 -2.344 -3.598 -12.050 241 3HD1 ILE 31 3HD1 ILE 31 -1.048 -3.726 -13.240 242 H LYS 32 H LYS 32 0.042 -8.250 -13.648 243 HA LYS 32 HA LYS 32 -1.936 -10.235 -13.828 244 1HB LYS 32 2HB LYS 32 -0.716 -9.191 -15.728 245 2HB LYS 32 1HB LYS 32 0.731 -10.057 -15.251 246 1HG LYS 32 2HG LYS 32 -1.785 -11.515 -15.967 247 2HG LYS 32 1HG LYS 32 -0.660 -10.957 -17.203 248 1HD LYS 32 2HD LYS 32 -0.098 -12.898 -14.962 249 2HD LYS 32 1HD LYS 32 -0.176 -13.252 -16.688 250 1HE LYS 32 2HE LYS 32 1.858 -11.480 -15.336 251 2HE LYS 32 1HE LYS 32 2.138 -13.130 -15.888 252 1HZ LYS 32 1HZ LYS 32 1.440 -10.818 -17.621 253 2HZ LYS 32 2HZ LYS 32 1.714 -12.402 -18.155 254 3HZ LYS 32 3HZ LYS 32 2.979 -11.508 -17.461 255 H ARG 33 H ARG 33 1.373 -10.312 -12.646 256 HA ARG 33 HA ARG 33 1.705 -13.130 -12.661 257 1HB ARG 33 2HB ARG 33 3.475 -11.275 -12.559 258 2HB ARG 33 1HB ARG 33 3.136 -11.198 -10.845 259 1HG ARG 33 2HG ARG 33 3.942 -13.769 -12.158 260 2HG ARG 33 1HG ARG 33 5.132 -12.595 -11.603 261 1HD ARG 33 2HD ARG 33 4.199 -12.725 -9.343 262 2HD ARG 33 1HD ARG 33 3.016 -13.903 -9.901 263 HE ARG 33 HE ARG 33 5.817 -14.582 -10.295 264 1HH1 ARG 33 1HH1 ARG 33 2.910 -14.949 -8.369 265 2HH1 ARG 33 2HH1 ARG 33 3.461 -16.383 -7.561 266 1HH2 ARG 33 1HH2 ARG 33 6.561 -16.467 -9.223 267 2HH2 ARG 33 2HH2 ARG 33 5.556 -17.225 -8.012 268 H VAL 34 H VAL 34 0.846 -10.813 -10.140 269 HA VAL 34 HA VAL 34 0.549 -13.001 -8.227 270 HB VAL 34 HB VAL 34 0.308 -11.260 -6.511 271 1HG1 VAL 34 1HG1 VAL 34 2.656 -10.830 -8.356 272 2HG1 VAL 34 2HG1 VAL 34 2.531 -12.068 -7.108 273 3HG1 VAL 34 3HG1 VAL 34 2.587 -10.364 -6.655 274 1HG2 VAL 34 1HG2 VAL 34 0.711 -9.283 -8.757 275 2HG2 VAL 34 2HG2 VAL 34 0.605 -8.905 -7.036 276 3HG2 VAL 34 3HG2 VAL 34 -0.801 -9.540 -7.889 277 H GLY 35 H GLY 35 -1.404 -10.433 -9.674 278 1HA GLY 35 2HA GLY 35 -3.654 -10.397 -10.159 279 2HA GLY 35 1HA GLY 35 -3.747 -12.065 -9.626 280 H ASP 36 H ASP 36 -2.358 -10.158 -7.259 281 HA ASP 36 HA ASP 36 -4.773 -9.314 -5.960 282 1HB ASP 36 2HB ASP 36 -4.797 -11.791 -5.643 283 2HB ASP 36 1HB ASP 36 -3.249 -11.670 -4.818 284 H GLY 37 H GLY 37 -3.959 -7.366 -5.395 285 1HA GLY 37 2HA GLY 37 -2.285 -6.973 -3.247 286 2HA GLY 37 1HA GLY 37 -1.222 -7.000 -4.645 287 H VAL 38 H VAL 38 -0.902 -4.759 -3.624 288 HA VAL 38 HA VAL 38 -2.669 -2.876 -5.033 289 HB VAL 38 HB VAL 38 -2.545 -1.307 -3.126 290 1HG1 VAL 38 1HG1 VAL 38 -3.725 -3.980 -2.389 291 2HG1 VAL 38 2HG1 VAL 38 -4.499 -2.756 -3.393 292 3HG1 VAL 38 3HG1 VAL 38 -4.168 -2.420 -1.696 293 1HG2 VAL 38 1HG2 VAL 38 -0.505 -2.141 -2.073 294 2HG2 VAL 38 2HG2 VAL 38 -1.336 -3.633 -1.632 295 3HG2 VAL 38 3HG2 VAL 38 -1.839 -2.101 -0.920 296 H ILE 39 H ILE 39 -1.663 -1.002 -5.786 297 HA ILE 39 HA ILE 39 1.258 -0.874 -5.431 298 HB ILE 39 HB ILE 39 -0.479 0.004 -7.727 299 1HG1 ILE 39 2HG1 ILE 39 1.444 -1.039 -9.026 300 2HG1 ILE 39 1HG1 ILE 39 2.082 -1.596 -7.486 301 1HG2 ILE 39 1HG2 ILE 39 2.305 1.026 -7.189 302 2HG2 ILE 39 2HG2 ILE 39 0.823 1.977 -7.126 303 3HG2 ILE 39 3HG2 ILE 39 1.369 1.296 -8.658 304 1HD1 ILE 39 1HD1 ILE 39 0.861 -3.362 -8.579 305 2HD1 ILE 39 2HD1 ILE 39 -0.571 -2.336 -8.704 306 3HD1 ILE 39 3HD1 ILE 39 0.004 -2.863 -7.119 307 H LEU 40 H LEU 40 1.981 0.634 -4.154 308 HA LEU 40 HA LEU 40 0.218 2.805 -3.299 309 1HB LEU 40 2HB LEU 40 1.701 1.138 -1.842 310 2HB LEU 40 1HB LEU 40 2.931 2.344 -2.148 311 HG LEU 40 HG LEU 40 0.280 2.864 -0.792 312 1HD1 LEU 40 1HD1 LEU 40 1.802 1.490 0.547 313 2HD1 LEU 40 2HD1 LEU 40 1.592 3.098 1.238 314 3HD1 LEU 40 3HD1 LEU 40 3.065 2.706 0.351 315 1HD2 LEU 40 1HD2 LEU 40 1.115 4.821 -1.998 316 2HD2 LEU 40 2HD2 LEU 40 2.668 4.668 -1.175 317 3HD2 LEU 40 3HD2 LEU 40 1.214 5.051 -0.252 318 H LEU 41 H LEU 41 0.402 4.718 -4.256 319 HA LEU 41 HA LEU 41 2.707 5.370 -5.867 320 1HB LEU 41 2HB LEU 41 0.090 6.711 -5.284 321 2HB LEU 41 1HB LEU 41 1.386 7.607 -6.046 322 HG LEU 41 HG LEU 41 1.389 6.022 -7.926 323 1HD1 LEU 41 1HD1 LEU 41 -0.984 4.770 -6.551 324 2HD1 LEU 41 2HD1 LEU 41 0.607 4.031 -6.737 325 3HD1 LEU 41 3HD1 LEU 41 -0.379 4.370 -8.159 326 1HD2 LEU 41 1HD2 LEU 41 0.021 8.036 -8.034 327 2HD2 LEU 41 2HD2 LEU 41 -1.324 7.169 -7.294 328 3HD2 LEU 41 3HD2 LEU 41 -0.747 6.699 -8.892 329 H SER 42 H SER 42 4.263 6.865 -5.412 330 HA SER 42 HA SER 42 4.919 7.443 -2.752 331 1HB SER 42 2HB SER 42 5.857 9.023 -5.153 332 2HB SER 42 1HB SER 42 6.724 8.723 -3.647 333 HG SER 42 HG SER 42 6.905 6.543 -4.225 334 H SER 43 H SER 43 4.802 9.372 -1.561 335 HA SER 43 HA SER 43 2.363 10.701 -1.704 336 1HB SER 43 2HB SER 43 4.856 11.645 -0.279 337 2HB SER 43 1HB SER 43 3.188 12.056 0.120 338 HG SER 43 HG SER 43 3.201 10.344 1.324 339 H ASP 44 H ASP 44 1.899 11.813 -3.547 340 HA ASP 44 HA ASP 44 3.512 13.780 -4.761 341 1HB ASP 44 2HB ASP 44 0.572 13.208 -4.701 342 2HB ASP 44 1HB ASP 44 1.116 14.755 -5.338 343 HA PRO 45 HA PRO 45 3.683 17.291 -2.105 344 1HB PRO 45 2HB PRO 45 2.371 19.164 -3.781 345 2HB PRO 45 1HB PRO 45 4.108 18.898 -3.627 346 1HG PRO 45 2HG PRO 45 2.206 17.865 -5.664 347 2HG PRO 45 1HG PRO 45 3.925 18.264 -5.827 348 1HD PRO 45 2HD PRO 45 3.093 15.724 -5.743 349 2HD PRO 45 1HD PRO 45 4.606 16.224 -4.954 350 H ARG 46 H ARG 46 2.384 16.967 -0.418 351 HA ARG 46 HA ARG 46 -0.528 17.193 -0.723 352 1HB ARG 46 2HB ARG 46 1.045 15.348 0.572 353 2HB ARG 46 1HB ARG 46 0.614 16.426 1.889 354 1HG ARG 46 2HG ARG 46 -1.407 15.156 0.062 355 2HG ARG 46 1HG ARG 46 -0.871 14.427 1.575 356 1HD ARG 46 2HD ARG 46 -1.633 16.469 2.761 357 2HD ARG 46 1HD ARG 46 -2.259 17.080 1.231 358 HE ARG 46 HE ARG 46 -3.229 14.503 2.262 359 1HH1 ARG 46 1HH1 ARG 46 -3.833 17.843 1.417 360 2HH1 ARG 46 2HH1 ARG 46 -5.562 17.692 1.502 361 1HH2 ARG 46 1HH2 ARG 46 -5.484 14.292 2.416 362 2HH2 ARG 46 2HH2 ARG 46 -6.506 15.668 2.098 363 H ARG 47 H ARG 47 1.948 19.152 -0.199 364 HA ARG 47 HA ARG 47 2.364 21.124 0.799 365 1HB ARG 47 2HB ARG 47 -0.588 20.976 1.325 366 2HB ARG 47 1HB ARG 47 0.385 22.262 2.028 367 1HG ARG 47 2HG ARG 47 1.138 22.858 -0.265 368 2HG ARG 47 1HG ARG 47 -0.006 21.670 -0.895 369 1HD ARG 47 2HD ARG 47 -1.854 22.860 0.073 370 2HD ARG 47 1HD ARG 47 -0.758 23.979 0.884 371 HE ARG 47 HE ARG 47 -0.275 24.075 -1.879 372 1HH1 ARG 47 1HH1 ARG 47 -2.724 24.973 0.457 373 2HH1 ARG 47 2HH1 ARG 47 -3.332 26.283 -0.513 374 1HH2 ARG 47 1HH2 ARG 47 -1.054 25.792 -3.129 375 2HH2 ARG 47 2HH2 ARG 47 -2.380 26.752 -2.544 376 H THR 48 H THR 48 1.714 22.208 3.211 377 HA THR 48 HA THR 48 2.240 22.107 5.411 378 HB THR 48 HB THR 48 1.829 19.114 5.190 379 HG1 THR 48 1HG THR 48 -0.139 20.488 6.453 380 1HG2 THR 48 1HG2 THR 48 1.828 20.940 7.598 381 2HG2 THR 48 2HG2 THR 48 3.095 19.786 7.181 382 3HG2 THR 48 3HG2 THR 48 1.483 19.212 7.612 383 HA PRO 49 HA PRO 49 6.579 21.394 4.274 384 1HB PRO 49 2HB PRO 49 6.922 23.269 6.541 385 2HB PRO 49 1HB PRO 49 7.574 23.355 4.903 386 1HG PRO 49 2HG PRO 49 5.590 24.963 5.676 387 2HG PRO 49 1HG PRO 49 5.637 24.287 4.037 388 1HD PRO 49 2HD PRO 49 3.986 23.445 6.388 389 2HD PRO 49 1HD PRO 49 3.534 23.558 4.674 390 H GLU 50 H GLU 50 7.955 19.959 5.092 391 HA GLU 50 HA GLU 50 8.929 18.424 6.434 392 1HB GLU 50 2HB GLU 50 7.920 20.147 8.705 393 2HB GLU 50 1HB GLU 50 9.141 18.887 8.827 394 1HG GLU 50 2HG GLU 50 10.572 20.169 7.282 395 2HG GLU 50 1HG GLU 50 9.364 21.453 7.275 396 H VAL 51 H VAL 51 8.269 17.254 8.800 397 HA VAL 51 HA VAL 51 6.990 15.640 9.727 398 HB VAL 51 HB VAL 51 4.625 17.224 8.701 399 1HG1 VAL 51 1HG1 VAL 51 3.375 16.162 10.483 400 2HG1 VAL 51 2HG1 VAL 51 4.816 15.301 11.022 401 3HG1 VAL 51 3HG1 VAL 51 4.103 14.929 9.453 402 1HG2 VAL 51 1HG2 VAL 51 6.145 17.466 11.299 403 2HG2 VAL 51 2HG2 VAL 51 4.623 18.278 10.933 404 3HG2 VAL 51 3HG2 VAL 51 6.072 18.664 10.005 405 H SER 52 H SER 52 7.896 14.239 8.066 406 HA SER 52 HA SER 52 6.376 13.567 5.750 407 1HB SER 52 2HB SER 52 8.520 11.961 7.170 408 2HB SER 52 1HB SER 52 7.949 11.708 5.519 409 HG SER 52 HG SER 52 9.343 13.146 4.917 410 H ASP 53 H ASP 53 4.526 12.480 5.717 411 HA ASP 53 HA ASP 53 3.414 11.151 7.938 412 1HB ASP 53 2HB ASP 53 2.736 10.972 4.993 413 2HB ASP 53 1HB ASP 53 1.802 10.176 6.254 414 H ASN 54 H ASN 54 3.635 9.124 8.678 415 HA ASN 54 HA ASN 54 5.694 7.482 7.504 416 1HB ASN 54 2HB ASN 54 3.991 7.149 9.977 417 2HB ASN 54 1HB ASN 54 5.154 5.938 9.448 418 1HD2 ASN 54 1HD2 ASN 54 4.702 9.047 10.862 419 2HD2 ASN 54 2HD2 ASN 54 6.349 9.316 11.312 420 HA PRO 55 HA PRO 55 2.728 5.069 5.198 421 1HB PRO 55 2HB PRO 55 4.966 3.540 4.196 422 2HB PRO 55 1HB PRO 55 3.987 4.737 3.347 423 1HG PRO 55 2HG PRO 55 6.618 5.111 3.995 424 2HG PRO 55 1HG PRO 55 5.456 6.432 3.776 425 1HD PRO 55 2HD PRO 55 6.453 5.181 6.311 426 2HD PRO 55 1HD PRO 55 6.157 6.894 5.939 427 H VAL 56 H VAL 56 4.227 4.271 7.924 428 HA VAL 56 HA VAL 56 4.430 1.451 7.833 429 HB VAL 56 HB VAL 56 3.920 3.151 10.282 430 1HG1 VAL 56 1HG1 VAL 56 5.118 1.372 11.461 431 2HG1 VAL 56 2HG1 VAL 56 5.252 0.468 9.954 432 3HG1 VAL 56 3HG1 VAL 56 3.665 0.764 10.666 433 1HG2 VAL 56 1HG2 VAL 56 6.555 2.436 8.997 434 2HG2 VAL 56 2HG2 VAL 56 6.350 3.284 10.529 435 3HG2 VAL 56 3HG2 VAL 56 5.821 4.038 9.025 436 H MET 57 H MET 57 1.792 3.661 8.319 437 HA MET 57 HA MET 57 -0.097 2.016 9.516 438 1HB MET 57 2HB MET 57 -0.394 4.265 7.542 439 2HB MET 57 1HB MET 57 -1.788 3.414 8.198 440 1HG MET 57 2HG MET 57 -1.067 4.030 10.464 441 2HG MET 57 1HG MET 57 0.287 4.921 9.776 442 1HE MET 57 1HE MET 57 -2.211 7.676 11.114 443 2HE MET 57 2HE MET 57 -0.579 7.024 11.252 444 3HE MET 57 3HE MET 57 -1.964 6.077 11.813 445 H ILE 58 H ILE 58 0.889 2.184 6.119 446 HA ILE 58 HA ILE 58 -1.173 0.506 5.138 447 HB ILE 58 HB ILE 58 1.591 0.974 3.999 448 1HG1 ILE 58 2HG1 ILE 58 -0.131 2.204 2.309 449 2HG1 ILE 58 1HG1 ILE 58 -0.983 2.423 3.834 450 1HG2 ILE 58 1HG2 ILE 58 -0.826 -0.328 2.750 451 2HG2 ILE 58 2HG2 ILE 58 0.710 -1.103 3.140 452 3HG2 ILE 58 3HG2 ILE 58 0.638 0.131 1.882 453 1HD1 ILE 58 1HD1 ILE 58 0.421 4.325 3.328 454 2HD1 ILE 58 2HD1 ILE 58 1.842 3.281 3.241 455 3HD1 ILE 58 3HD1 ILE 58 0.993 3.498 4.776 456 H ALA 59 H ALA 59 2.090 -0.112 6.337 457 HA ALA 59 HA ALA 59 2.092 -2.909 5.903 458 1HB ALA 59 1HB ALA 59 4.146 -1.639 6.308 459 2HB ALA 59 2HB ALA 59 3.979 -2.964 7.459 460 3HB ALA 59 3HB ALA 59 3.624 -1.310 7.959 461 H GLU 60 H GLU 60 1.018 -0.862 8.546 462 HA GLU 60 HA GLU 60 0.420 -2.860 10.430 463 1HB GLU 60 2HB GLU 60 0.477 -0.349 10.793 464 2HB GLU 60 1HB GLU 60 -1.102 -0.278 10.027 465 1HG GLU 60 2HG GLU 60 -1.401 -0.244 12.389 466 2HG GLU 60 1HG GLU 60 -1.963 -1.801 11.782 467 H LEU 61 H LEU 61 -1.684 -1.211 8.094 468 HA LEU 61 HA LEU 61 -4.029 -2.637 8.457 469 1HB LEU 61 2HB LEU 61 -2.835 -1.020 6.330 470 2HB LEU 61 1HB LEU 61 -4.006 -2.185 5.756 471 HG LEU 61 HG LEU 61 -5.072 -0.052 6.103 472 1HD1 LEU 61 1HD1 LEU 61 -6.376 -2.053 6.585 473 2HD1 LEU 61 2HD1 LEU 61 -6.860 -0.705 7.612 474 3HD1 LEU 61 3HD1 LEU 61 -5.851 -1.994 8.270 475 1HD2 LEU 61 1HD2 LEU 61 -3.540 0.912 7.708 476 2HD2 LEU 61 2HD2 LEU 61 -4.061 -0.242 8.937 477 3HD2 LEU 61 3HD2 LEU 61 -5.189 0.974 8.334 478 H LEU 62 H LEU 62 -1.321 -3.353 6.331 479 HA LEU 62 HA LEU 62 -2.241 -5.448 4.852 480 1HB LEU 62 2HB LEU 62 -0.033 -4.405 4.609 481 2HB LEU 62 1HB LEU 62 0.500 -5.182 6.085 482 HG LEU 62 HG LEU 62 0.209 -7.390 5.002 483 1HD1 LEU 62 1HD1 LEU 62 -0.373 -5.753 2.541 484 2HD1 LEU 62 2HD1 LEU 62 -1.516 -6.785 3.400 485 3HD1 LEU 62 3HD1 LEU 62 -0.125 -7.499 2.586 486 1HD2 LEU 62 1HD2 LEU 62 1.981 -5.463 3.509 487 2HD2 LEU 62 2HD2 LEU 62 2.144 -7.218 3.513 488 3HD2 LEU 62 3HD2 LEU 62 2.389 -6.305 5.001 489 H ARG 63 H ARG 63 -0.836 -5.700 8.131 490 HA ARG 63 HA ARG 63 -1.272 -8.554 8.152 491 1HB ARG 63 2HB ARG 63 -0.251 -6.666 10.274 492 2HB ARG 63 1HB ARG 63 -0.334 -8.415 10.452 493 1HG ARG 63 2HG ARG 63 1.631 -8.622 9.468 494 2HG ARG 63 1HG ARG 63 1.018 -7.830 8.022 495 1HD ARG 63 2HD ARG 63 2.919 -6.607 8.755 496 2HD ARG 63 1HD ARG 63 1.494 -5.639 9.126 497 HE ARG 63 HE ARG 63 3.140 -7.114 11.080 498 1HH1 ARG 63 1HH1 ARG 63 0.666 -4.749 10.369 499 2HH1 ARG 63 2HH1 ARG 63 0.687 -4.046 11.962 500 1HH2 ARG 63 1HH2 ARG 63 3.222 -6.174 13.147 501 2HH2 ARG 63 2HH2 ARG 63 2.198 -4.820 13.530 502 H GLU 64 H GLU 64 -2.927 -5.715 9.261 503 HA GLU 64 HA GLU 64 -4.586 -7.113 11.160 504 1HB GLU 64 2HB GLU 64 -4.768 -4.316 10.029 505 2HB GLU 64 1HB GLU 64 -5.739 -4.933 11.353 506 1HG GLU 64 2HG GLU 64 -2.740 -4.791 11.420 507 2HG GLU 64 1HG GLU 64 -3.794 -3.513 12.016 508 H PHE 65 H PHE 65 -4.530 -7.184 7.902 509 HA PHE 65 HA PHE 65 -7.435 -7.135 7.548 510 1HB PHE 65 2HB PHE 65 -5.365 -6.304 5.902 511 2HB PHE 65 1HB PHE 65 -5.843 -7.846 5.201 512 HD1 PHE 65 1HD PHE 65 -6.900 -4.433 5.973 513 HD2 PHE 65 2HD PHE 65 -8.005 -8.128 4.175 514 HE1 PHE 65 1HE PHE 65 -8.800 -3.323 4.876 515 HE2 PHE 65 2HE PHE 65 -9.907 -7.022 3.069 516 HZ PHE 65 HZ PHE 65 -10.305 -4.614 3.422 517 HA PRO 66 HA PRO 66 -6.991 -11.597 7.970 518 1HB PRO 66 2HB PRO 66 -9.353 -12.068 9.105 519 2HB PRO 66 1HB PRO 66 -8.058 -11.260 9.994 520 1HG PRO 66 2HG PRO 66 -10.511 -10.111 8.758 521 2HG PRO 66 1HG PRO 66 -9.668 -9.631 10.240 522 1HD PRO 66 2HD PRO 66 -9.439 -8.413 7.709 523 2HD PRO 66 1HD PRO 66 -8.390 -8.134 9.113 524 H GLN 67 H GLN 67 -8.836 -9.832 5.835 525 HA GLN 67 HA GLN 67 -10.674 -11.843 4.969 526 1HB GLN 67 2HB GLN 67 -10.780 -9.257 4.651 527 2HB GLN 67 1HB GLN 67 -9.763 -9.548 3.250 528 1HG GLN 67 2HG GLN 67 -12.410 -10.911 3.654 529 2HG GLN 67 1HG GLN 67 -12.243 -9.364 2.834 530 1HE2 GLN 67 1HE2 GLN 67 -11.341 -9.296 0.791 531 2HE2 GLN 67 2HE2 GLN 67 -11.083 -10.717 -0.158 532 H PHE 68 H PHE 68 -7.955 -10.362 3.196 533 HA PHE 68 HA PHE 68 -7.259 -13.005 2.188 534 1HB PHE 68 2HB PHE 68 -7.054 -12.138 -0.129 535 2HB PHE 68 1HB PHE 68 -8.704 -12.184 0.460 536 HD1 PHE 68 1HD PHE 68 -7.932 -9.435 2.127 537 HD2 PHE 68 2HD PHE 68 -7.968 -10.729 -1.929 538 HE1 PHE 68 1HE PHE 68 -8.278 -7.115 1.389 539 HE2 PHE 68 2HE PHE 68 -8.302 -8.411 -2.669 540 HZ PHE 68 HZ PHE 68 -8.467 -6.602 -1.014 541 H ASP 69 H ASP 69 -5.184 -12.958 0.946 542 HA ASP 69 HA ASP 69 -3.308 -11.376 2.553 543 1HB ASP 69 2HB ASP 69 -3.058 -13.760 2.849 544 2HB ASP 69 1HB ASP 69 -3.007 -14.015 1.111 545 H TRP 70 H TRP 70 -3.579 -9.555 1.153 546 HA TRP 70 HA TRP 70 -2.585 -9.810 -1.563 547 1HB TRP 70 2HB TRP 70 -3.086 -7.333 -1.682 548 2HB TRP 70 1HB TRP 70 -4.466 -8.385 -1.425 549 HD1 TRP 70 HD TRP 70 -2.843 -8.050 1.853 550 HE1 TRP 70 1HE TRP 70 -4.014 -6.251 3.271 551 HE3 TRP 70 3HE TRP 70 -5.597 -5.779 -1.812 552 HZ2 TRP 70 2HZ TRP 70 -5.855 -4.149 2.892 553 HZ3 TRP 70 3HZ TRP 70 -7.039 -3.882 -1.198 554 HH2 TRP 70 HH TRP 70 -7.162 -3.088 1.106 555 H GLN 71 H GLN 71 -1.032 -8.062 -2.318 556 HA GLN 71 HA GLN 71 1.194 -7.965 -0.388 557 1HB GLN 71 2HB GLN 71 1.330 -8.219 -3.406 558 2HB GLN 71 1HB GLN 71 2.701 -8.210 -2.302 559 1HG GLN 71 2HG GLN 71 2.105 -10.295 -1.377 560 2HG GLN 71 1HG GLN 71 0.513 -10.257 -2.133 561 1HE2 GLN 71 1HE2 GLN 71 0.307 -10.756 -4.317 562 2HE2 GLN 71 2HE2 GLN 71 1.576 -11.546 -5.186 563 H VAL 72 H VAL 72 2.462 -6.099 -0.301 564 HA VAL 72 HA VAL 72 1.100 -3.735 -1.382 565 HB VAL 72 HB VAL 72 3.023 -3.919 0.943 566 1HG1 VAL 72 1HG1 VAL 72 3.167 -1.760 -0.169 567 2HG1 VAL 72 2HG1 VAL 72 2.369 -1.598 1.395 568 3HG1 VAL 72 3HG1 VAL 72 1.413 -1.586 -0.088 569 1HG2 VAL 72 1HG2 VAL 72 1.068 -3.448 2.336 570 2HG2 VAL 72 2HG2 VAL 72 0.861 -4.949 1.432 571 3HG2 VAL 72 3HG2 VAL 72 0.039 -3.481 0.904 572 H ALA 73 H ALA 73 1.987 -3.321 -3.307 573 HA ALA 73 HA ALA 73 4.899 -3.246 -3.559 574 1HB ALA 73 1HB ALA 73 3.685 -4.376 -5.333 575 2HB ALA 73 2HB ALA 73 4.444 -2.914 -5.964 576 3HB ALA 73 3HB ALA 73 2.714 -2.932 -5.620 577 H VAL 74 H VAL 74 5.988 -1.359 -3.508 578 HA VAL 74 HA VAL 74 4.353 1.096 -3.428 579 HB VAL 74 HB VAL 74 5.884 2.024 -1.760 580 1HG1 VAL 74 1HG1 VAL 74 4.783 -0.680 -1.014 581 2HG1 VAL 74 2HG1 VAL 74 3.938 0.867 -0.942 582 3HG1 VAL 74 3HG1 VAL 74 5.301 0.555 0.133 583 1HG2 VAL 74 1HG2 VAL 74 7.242 -0.677 -1.798 584 2HG2 VAL 74 2HG2 VAL 74 7.612 0.659 -0.709 585 3HG2 VAL 74 3HG2 VAL 74 7.922 0.817 -2.437 586 H ALA 75 H ALA 75 5.218 2.975 -4.313 587 HA ALA 75 HA ALA 75 7.385 2.537 -6.230 588 1HB ALA 75 1HB ALA 75 6.670 4.660 -7.219 589 2HB ALA 75 2HB ALA 75 5.470 4.854 -5.943 590 3HB ALA 75 3HB ALA 75 5.331 3.521 -7.091 591 H ASP 76 H ASP 76 9.303 3.655 -6.175 592 HA ASP 76 HA ASP 76 10.281 4.396 -3.651 593 1HB ASP 76 2HB ASP 76 11.555 3.568 -5.755 594 2HB ASP 76 1HB ASP 76 11.606 5.268 -6.205 595 H LEU 77 H LEU 77 10.301 6.611 -6.468 596 HA LEU 77 HA LEU 77 8.771 8.545 -4.989 597 1HB LEU 77 2HB LEU 77 10.337 10.312 -4.877 598 2HB LEU 77 1HB LEU 77 11.086 8.908 -4.158 599 HG LEU 77 HG LEU 77 11.686 9.957 -6.929 600 1HD1 LEU 77 1HD1 LEU 77 13.240 10.214 -4.361 601 2HD1 LEU 77 2HD1 LEU 77 12.403 11.514 -5.212 602 3HD1 LEU 77 3HD1 LEU 77 13.791 10.724 -5.959 603 1HD2 LEU 77 1HD2 LEU 77 13.025 7.815 -5.282 604 2HD2 LEU 77 2HD2 LEU 77 13.639 8.466 -6.803 605 3HD2 LEU 77 3HD2 LEU 77 12.115 7.579 -6.774 606 H GLU 78 H GLU 78 10.994 8.600 -7.803 607 HA GLU 78 HA GLU 78 9.386 10.375 -9.288 608 1HB GLU 78 2HB GLU 78 11.770 10.103 -9.730 609 2HB GLU 78 1HB GLU 78 11.501 8.440 -10.224 610 1HG GLU 78 2HG GLU 78 10.083 9.273 -12.078 611 2HG GLU 78 1HG GLU 78 10.520 10.917 -11.612 612 H GLN 79 H GLN 79 9.466 6.919 -9.016 613 HA GLN 79 HA GLN 79 8.176 6.100 -11.321 614 1HB GLN 79 2HB GLN 79 7.762 4.874 -8.599 615 2HB GLN 79 1HB GLN 79 7.652 4.070 -10.155 616 1HG GLN 79 2HG GLN 79 10.147 5.178 -8.890 617 2HG GLN 79 1HG GLN 79 9.701 3.477 -9.005 618 1HE2 GLN 79 1HE2 GLN 79 9.900 2.423 -10.968 619 2HE2 GLN 79 2HE2 GLN 79 10.796 3.088 -12.294 620 H SER 80 H SER 80 6.870 7.598 -8.457 621 HA SER 80 HA SER 80 4.217 6.792 -8.574 622 1HB SER 80 2HB SER 80 5.279 8.084 -6.707 623 2HB SER 80 1HB SER 80 5.180 9.528 -7.715 624 HG SER 80 HG SER 80 3.314 9.639 -6.652 625 H GLU 81 H GLU 81 5.846 9.418 -10.319 626 HA GLU 81 HA GLU 81 3.499 10.662 -11.247 627 1HB GLU 81 2HB GLU 81 5.726 11.746 -11.283 628 2HB GLU 81 1HB GLU 81 6.218 10.646 -12.564 629 1HG GLU 81 2HG GLU 81 4.412 11.534 -13.982 630 2HG GLU 81 1HG GLU 81 4.011 12.686 -12.711 631 H ALA 82 H ALA 82 5.622 8.247 -12.728 632 HA ALA 82 HA ALA 82 4.194 8.070 -15.160 633 1HB ALA 82 1HB ALA 82 6.012 6.036 -13.870 634 2HB ALA 82 2HB ALA 82 6.514 7.338 -14.948 635 3HB ALA 82 3HB ALA 82 5.489 6.040 -15.557 636 H ILE 83 H ILE 83 4.080 6.176 -12.167 637 HA ILE 83 HA ILE 83 2.188 4.276 -13.070 638 HB ILE 83 HB ILE 83 2.753 5.193 -10.242 639 1HG1 ILE 83 2HG1 ILE 83 3.823 2.832 -11.812 640 2HG1 ILE 83 1HG1 ILE 83 4.731 4.285 -11.408 641 1HG2 ILE 83 1HG2 ILE 83 1.780 3.032 -9.575 642 2HG2 ILE 83 2HG2 ILE 83 1.331 2.730 -11.255 643 3HG2 ILE 83 3HG2 ILE 83 0.609 4.078 -10.376 644 1HD1 ILE 83 1HD1 ILE 83 4.521 3.742 -9.030 645 2HD1 ILE 83 2HD1 ILE 83 5.316 2.456 -9.937 646 3HD1 ILE 83 3HD1 ILE 83 3.630 2.278 -9.450 647 H GLY 84 H GLY 84 1.828 7.271 -11.181 648 1HA GLY 84 2HA GLY 84 -0.976 7.086 -10.878 649 2HA GLY 84 1HA GLY 84 -0.017 8.544 -10.688 650 H ASP 85 H ASP 85 1.019 8.449 -13.410 651 HA ASP 85 HA ASP 85 -1.072 9.879 -14.723 652 1HB ASP 85 2HB ASP 85 1.358 10.331 -15.040 653 2HB ASP 85 1HB ASP 85 1.512 8.792 -15.869 654 H ARG 86 H ARG 86 0.308 6.696 -14.977 655 HA ARG 86 HA ARG 86 -0.596 5.772 -17.386 656 1HB ARG 86 2HB ARG 86 0.927 4.624 -15.775 657 2HB ARG 86 1HB ARG 86 -0.480 4.161 -14.838 658 1HG ARG 86 2HG ARG 86 -1.209 2.648 -16.415 659 2HG ARG 86 1HG ARG 86 -0.293 3.408 -17.723 660 1HD ARG 86 2HD ARG 86 1.801 2.668 -16.648 661 2HD ARG 86 1HD ARG 86 0.856 1.870 -15.394 662 HE ARG 86 HE ARG 86 0.455 0.137 -16.836 663 1HH1 ARG 86 1HH1 ARG 86 1.662 2.856 -18.700 664 2HH1 ARG 86 2HH1 ARG 86 1.883 1.920 -20.143 665 1HH2 ARG 86 1HH2 ARG 86 0.792 -1.091 -18.709 666 2HH2 ARG 86 2HH2 ARG 86 1.390 -0.312 -20.155 667 H PHE 87 H PHE 87 -2.426 5.839 -14.347 668 HA PHE 87 HA PHE 87 -4.812 5.165 -15.939 669 1HB PHE 87 2HB PHE 87 -5.682 4.293 -13.614 670 2HB PHE 87 1HB PHE 87 -4.698 3.275 -14.657 671 HD1 PHE 87 1HD PHE 87 -4.435 5.629 -11.787 672 HD2 PHE 87 2HD PHE 87 -2.795 2.291 -13.837 673 HE1 PHE 87 1HE PHE 87 -2.845 5.283 -9.944 674 HE2 PHE 87 2HE PHE 87 -1.197 1.940 -12.001 675 HZ PHE 87 HZ PHE 87 -1.224 3.438 -10.049 676 H ASN 88 H ASN 88 -3.466 7.697 -14.843 677 HA ASN 88 HA ASN 88 -4.086 9.765 -14.167 678 1HB ASN 88 2HB ASN 88 -5.682 9.494 -16.045 679 2HB ASN 88 1HB ASN 88 -6.873 8.864 -14.910 680 1HD2 ASN 88 1HD2 ASN 88 -8.343 10.480 -15.255 681 2HD2 ASN 88 2HD2 ASN 88 -8.095 12.108 -14.738 682 H VAL 89 H VAL 89 -3.512 8.959 -11.994 683 HA VAL 89 HA VAL 89 -5.756 9.516 -10.182 684 HB VAL 89 HB VAL 89 -3.750 7.269 -9.840 685 1HG1 VAL 89 1HG1 VAL 89 -4.817 6.827 -7.666 686 2HG1 VAL 89 2HG1 VAL 89 -5.778 8.297 -7.849 687 3HG1 VAL 89 3HG1 VAL 89 -4.024 8.402 -7.698 688 1HG2 VAL 89 1HG2 VAL 89 -5.674 6.716 -11.232 689 2HG2 VAL 89 2HG2 VAL 89 -6.765 7.263 -9.957 690 3HG2 VAL 89 3HG2 VAL 89 -5.738 5.853 -9.695 691 H ARG 90 H ARG 90 -2.548 10.067 -11.168 692 HA ARG 90 HA ARG 90 -1.350 10.728 -8.696 693 1HB ARG 90 2HB ARG 90 -0.135 10.298 -10.882 694 2HB ARG 90 1HB ARG 90 -0.579 11.938 -11.348 695 1HG ARG 90 2HG ARG 90 0.516 12.701 -9.204 696 2HG ARG 90 1HG ARG 90 1.162 11.068 -9.066 697 1HD ARG 90 2HD ARG 90 2.840 12.395 -10.076 698 2HD ARG 90 1HD ARG 90 2.161 11.371 -11.339 699 HE ARG 90 HE ARG 90 1.213 13.249 -12.342 700 1HH1 ARG 90 1HH1 ARG 90 2.654 14.092 -9.266 701 2HH1 ARG 90 2HH1 ARG 90 2.817 15.779 -9.660 702 1HH2 ARG 90 1HH2 ARG 90 1.381 15.479 -12.852 703 2HH2 ARG 90 2HH2 ARG 90 2.049 16.576 -11.676 704 H ARG 91 H ARG 91 -1.757 12.323 -7.403 705 HA ARG 91 HA ARG 91 -2.083 15.011 -8.072 706 1HB ARG 91 2HB ARG 91 -4.228 14.256 -9.041 707 2HB ARG 91 1HB ARG 91 -4.685 13.570 -7.489 708 1HG ARG 91 2HG ARG 91 -5.037 15.650 -6.530 709 2HG ARG 91 1HG ARG 91 -4.038 16.479 -7.727 710 1HD ARG 91 2HD ARG 91 -6.662 15.129 -8.355 711 2HD ARG 91 1HD ARG 91 -6.492 16.852 -8.010 712 HE ARG 91 HE ARG 91 -4.899 16.853 -9.977 713 1HH1 ARG 91 1HH1 ARG 91 -7.601 14.618 -9.771 714 2HH1 ARG 91 2HH1 ARG 91 -7.727 14.427 -11.493 715 1HH2 ARG 91 1HH2 ARG 91 -5.059 16.583 -12.219 716 2HH2 ARG 91 2HH2 ARG 91 -6.269 15.526 -12.885 717 H PHE 92 H PHE 92 -2.878 12.370 -5.950 718 HA PHE 92 HA PHE 92 -1.600 13.717 -3.733 719 1HB PHE 92 2HB PHE 92 -3.485 13.219 -2.182 720 2HB PHE 92 1HB PHE 92 -3.914 14.406 -3.406 721 HD1 PHE 92 1HD PHE 92 -4.546 11.075 -2.092 722 HD2 PHE 92 2HD PHE 92 -5.445 13.812 -5.226 723 HE1 PHE 92 1HE PHE 92 -6.495 9.711 -2.721 724 HE2 PHE 92 2HE PHE 92 -7.397 12.456 -5.856 725 HZ PHE 92 HZ PHE 92 -7.924 10.401 -4.604 726 HA PRO 93 HA PRO 93 -0.008 9.651 -2.998 727 1HB PRO 93 2HB PRO 93 -0.108 9.569 -0.230 728 2HB PRO 93 1HB PRO 93 1.187 10.305 -1.178 729 1HG PRO 93 2HG PRO 93 -1.146 11.596 0.166 730 2HG PRO 93 1HG PRO 93 0.528 12.168 0.015 731 1HD PRO 93 2HD PRO 93 -1.451 13.160 -1.512 732 2HD PRO 93 1HD PRO 93 0.198 12.950 -2.136 733 H ALA 94 H ALA 94 -1.237 7.960 -3.519 734 HA ALA 94 HA ALA 94 -3.334 7.107 -1.673 735 1HB ALA 94 1HB ALA 94 -4.475 8.477 -3.363 736 2HB ALA 94 2HB ALA 94 -4.956 6.784 -3.454 737 3HB ALA 94 3HB ALA 94 -3.821 7.439 -4.632 738 H THR 95 H THR 95 -4.083 4.890 -2.158 739 HA THR 95 HA THR 95 -1.968 3.306 -3.472 740 HB THR 95 HB THR 95 -3.721 2.378 -1.188 741 HG1 THR 95 1HG THR 95 -1.729 4.106 -1.080 742 1HG2 THR 95 1HG2 THR 95 -2.779 0.593 -2.584 743 2HG2 THR 95 2HG2 THR 95 -2.054 0.596 -0.978 744 3HG2 THR 95 3HG2 THR 95 -1.164 1.259 -2.348 745 H LEU 96 H LEU 96 -2.644 2.162 -5.199 746 HA LEU 96 HA LEU 96 -5.485 2.103 -5.777 747 1HB LEU 96 2HB LEU 96 -3.000 1.436 -7.340 748 2HB LEU 96 1HB LEU 96 -4.597 1.074 -7.949 749 HG LEU 96 HG LEU 96 -3.507 3.172 -8.800 750 1HD1 LEU 96 1HD1 LEU 96 -5.852 2.774 -9.125 751 2HD1 LEU 96 2HD1 LEU 96 -5.616 4.472 -8.700 752 3HD1 LEU 96 3HD1 LEU 96 -6.208 3.331 -7.491 753 1HD2 LEU 96 1HD2 LEU 96 -2.588 4.028 -6.722 754 2HD2 LEU 96 2HD2 LEU 96 -4.218 4.229 -6.079 755 3HD2 LEU 96 3HD2 LEU 96 -3.690 5.192 -7.459 756 H VAL 97 H VAL 97 -6.734 0.315 -5.815 757 HA VAL 97 HA VAL 97 -5.568 -2.091 -4.627 758 HB VAL 97 HB VAL 97 -8.482 -1.347 -4.896 759 1HG1 VAL 97 1HG1 VAL 97 -8.831 -3.091 -3.191 760 2HG1 VAL 97 2HG1 VAL 97 -7.117 -3.499 -3.281 761 3HG1 VAL 97 3HG1 VAL 97 -8.155 -3.736 -4.686 762 1HG2 VAL 97 1HG2 VAL 97 -6.606 -1.012 -2.555 763 2HG2 VAL 97 2HG2 VAL 97 -8.356 -0.805 -2.481 764 3HG2 VAL 97 3HG2 VAL 97 -7.384 0.273 -3.482 765 H PHE 98 H PHE 98 -5.055 -3.670 -5.952 766 HA PHE 98 HA PHE 98 -6.572 -3.995 -8.450 767 1HB PHE 98 2HB PHE 98 -3.768 -4.908 -7.749 768 2HB PHE 98 1HB PHE 98 -4.580 -5.221 -9.279 769 HD1 PHE 98 1HD PHE 98 -3.156 -2.576 -7.135 770 HD2 PHE 98 2HD PHE 98 -4.681 -3.583 -10.974 771 HE1 PHE 98 1HE PHE 98 -2.319 -0.438 -8.023 772 HE2 PHE 98 2HE PHE 98 -3.842 -1.448 -11.866 773 HZ PHE 98 HZ PHE 98 -2.668 0.130 -10.397 774 H THR 99 H THR 99 -8.154 -5.395 -8.020 775 HA THR 99 HA THR 99 -7.484 -7.859 -6.560 776 HB THR 99 HB THR 99 -9.976 -8.000 -6.130 777 HG1 THR 99 1HG THR 99 -11.076 -6.585 -7.274 778 1HG2 THR 99 1HG2 THR 99 -8.389 -7.263 -4.412 779 2HG2 THR 99 2HG2 THR 99 -9.923 -6.407 -4.274 780 3HG2 THR 99 3HG2 THR 99 -8.527 -5.603 -4.992 781 H ASP 100 H ASP 100 -7.949 -9.790 -7.478 782 HA ASP 100 HA ASP 100 -8.483 -11.346 -9.060 783 1HB ASP 100 2HB ASP 100 -10.694 -9.976 -9.076 784 2HB ASP 100 1HB ASP 100 -10.092 -9.319 -10.586 785 H GLY 101 H GLY 101 -6.466 -9.045 -9.347 786 1HA GLY 101 2HA GLY 101 -4.722 -8.710 -10.842 787 2HA GLY 101 1HA GLY 101 -5.563 -9.722 -12.009 788 H LYS 102 H LYS 102 -7.737 -7.486 -10.808 789 HA LYS 102 HA LYS 102 -7.088 -5.603 -12.993 790 1HB LYS 102 2HB LYS 102 -9.756 -6.690 -12.128 791 2HB LYS 102 1HB LYS 102 -9.612 -5.210 -13.067 792 1HG LYS 102 2HG LYS 102 -8.437 -6.480 -14.827 793 2HG LYS 102 1HG LYS 102 -8.694 -7.958 -13.894 794 1HD LYS 102 2HD LYS 102 -11.072 -7.744 -14.092 795 2HD LYS 102 1HD LYS 102 -10.919 -6.145 -14.823 796 1HE LYS 102 2HE LYS 102 -9.780 -7.159 -16.750 797 2HE LYS 102 1HE LYS 102 -9.977 -8.750 -16.014 798 1HZ LYS 102 1HZ LYS 102 -12.320 -8.590 -16.210 799 2HZ LYS 102 2HZ LYS 102 -11.676 -8.165 -17.719 800 3HZ LYS 102 3HZ LYS 102 -12.246 -6.962 -16.675 801 H LEU 103 H LEU 103 -7.433 -3.430 -12.652 802 HA LEU 103 HA LEU 103 -7.403 -2.531 -9.926 803 1HB LEU 103 2HB LEU 103 -6.064 -1.424 -11.657 804 2HB LEU 103 1HB LEU 103 -7.521 -0.993 -12.527 805 HG LEU 103 HG LEU 103 -8.202 0.467 -10.672 806 1HD1 LEU 103 1HD1 LEU 103 -6.638 0.965 -8.867 807 2HD1 LEU 103 2HD1 LEU 103 -5.547 -0.286 -9.465 808 3HD1 LEU 103 3HD1 LEU 103 -7.136 -0.727 -8.840 809 1HD2 LEU 103 1HD2 LEU 103 -6.901 1.380 -12.519 810 2HD2 LEU 103 2HD2 LEU 103 -5.406 0.985 -11.671 811 3HD2 LEU 103 3HD2 LEU 103 -6.506 2.191 -11.004 812 H ARG 104 H ARG 104 -9.129 -2.052 -8.729 813 HA ARG 104 HA ARG 104 -11.662 -1.526 -10.140 814 1HB ARG 104 2HB ARG 104 -11.193 -3.086 -7.607 815 2HB ARG 104 1HB ARG 104 -12.783 -2.516 -8.097 816 1HG ARG 104 2HG ARG 104 -11.047 -4.318 -9.770 817 2HG ARG 104 1HG ARG 104 -12.308 -4.887 -8.679 818 1HD ARG 104 2HD ARG 104 -13.218 -4.826 -10.885 819 2HD ARG 104 1HD ARG 104 -13.945 -3.509 -9.967 820 HE ARG 104 HE ARG 104 -11.620 -2.738 -11.486 821 1HH1 ARG 104 1HH1 ARG 104 -15.101 -3.145 -11.572 822 2HH1 ARG 104 2HH1 ARG 104 -15.326 -2.027 -12.881 823 1HH2 ARG 104 1HH2 ARG 104 -11.922 -1.241 -13.170 824 2HH2 ARG 104 2HH2 ARG 104 -13.522 -0.915 -13.766 825 H GLY 105 H GLY 105 -9.730 -0.776 -7.269 826 1HA GLY 105 2HA GLY 105 -11.073 1.809 -7.142 827 2HA GLY 105 1HA GLY 105 -11.253 0.773 -5.735 828 H ALA 106 H ALA 106 -10.219 2.785 -4.819 829 HA ALA 106 HA ALA 106 -7.401 2.248 -4.448 830 1HB ALA 106 1HB ALA 106 -6.683 4.534 -4.967 831 2HB ALA 106 2HB ALA 106 -8.314 4.919 -5.523 832 3HB ALA 106 3HB ALA 106 -7.344 3.727 -6.388 833 H LEU 107 H LEU 107 -6.607 3.070 -2.530 834 HA LEU 107 HA LEU 107 -8.621 4.176 -0.703 835 1HB LEU 107 2HB LEU 107 -7.112 2.090 -0.235 836 2HB LEU 107 1HB LEU 107 -5.868 3.275 0.094 837 HG LEU 107 HG LEU 107 -7.095 2.385 2.110 838 1HD1 LEU 107 1HD1 LEU 107 -5.811 4.449 2.219 839 2HD1 LEU 107 2HD1 LEU 107 -7.259 4.546 3.220 840 3HD1 LEU 107 3HD1 LEU 107 -7.212 5.360 1.656 841 1HD2 LEU 107 1HD2 LEU 107 -9.296 3.360 2.599 842 2HD2 LEU 107 2HD2 LEU 107 -9.333 2.308 1.184 843 3HD2 LEU 107 3HD2 LEU 107 -9.332 4.059 0.977 844 H SER 108 H SER 108 -8.567 6.293 -0.275 845 HA SER 108 HA SER 108 -6.383 7.813 -1.443 846 1HB SER 108 2HB SER 108 -7.962 9.766 -0.948 847 2HB SER 108 1HB SER 108 -8.475 8.594 -2.157 848 HG SER 108 HG SER 108 -9.304 7.876 0.340 849 H GLY 109 H GLY 109 -7.945 7.382 1.707 850 1HA GLY 109 2HA GLY 109 -6.959 7.653 3.800 851 2HA GLY 109 1HA GLY 109 -5.517 8.286 3.015 852 H ILE 110 H ILE 110 -8.809 9.438 2.575 853 HA ILE 110 HA ILE 110 -7.953 12.084 3.483 854 HB ILE 110 HB ILE 110 -10.183 11.098 1.758 855 1HG1 ILE 110 2HG1 ILE 110 -9.533 13.072 0.410 856 2HG1 ILE 110 1HG1 ILE 110 -8.347 13.501 1.636 857 1HG2 ILE 110 1HG2 ILE 110 -10.329 13.741 3.205 858 2HG2 ILE 110 2HG2 ILE 110 -11.366 12.347 3.505 859 3HG2 ILE 110 3HG2 ILE 110 -11.431 13.174 1.949 860 1HD1 ILE 110 1HD1 ILE 110 -7.127 11.449 1.186 861 2HD1 ILE 110 2HD1 ILE 110 -7.326 12.409 -0.281 862 3HD1 ILE 110 3HD1 ILE 110 -8.334 10.987 -0.013 863 H HIS 111 H HIS 111 -10.327 9.565 4.169 864 HA HIS 111 HA HIS 111 -10.871 10.917 6.738 865 1HB HIS 111 2HB HIS 111 -12.812 10.555 5.045 866 2HB HIS 111 1HB HIS 111 -12.716 8.868 5.532 867 HD1 HIS 111 1HD HIS 111 -14.859 11.416 6.137 868 HD2 HIS 111 2HD HIS 111 -12.528 9.158 8.745 869 HE1 HIS 111 1HE HIS 111 -15.985 11.583 8.383 870 HE2 HIS 111 2HE HIS 111 -14.620 10.117 9.920 871 HA PRO 112 HA PRO 112 -8.010 7.706 8.014 872 1HB PRO 112 2HB PRO 112 -9.208 8.584 10.611 873 2HB PRO 112 1HB PRO 112 -7.516 8.282 10.199 874 1HG PRO 112 2HG PRO 112 -8.429 10.765 10.319 875 2HG PRO 112 1HG PRO 112 -7.304 10.282 9.036 876 1HD PRO 112 2HD PRO 112 -10.231 10.809 8.894 877 2HD PRO 112 1HD PRO 112 -8.974 11.064 7.666 878 H TRP 113 H TRP 113 -8.749 5.787 7.456 879 HA TRP 113 HA TRP 113 -9.387 3.661 7.815 880 1HB TRP 113 2HB TRP 113 -8.880 4.281 10.273 881 2HB TRP 113 1HB TRP 113 -10.635 4.328 10.458 882 HD1 TRP 113 HD TRP 113 -11.948 1.961 9.837 883 HE1 TRP 113 1HE TRP 113 -11.148 -0.476 10.123 884 HE3 TRP 113 3HE TRP 113 -6.938 2.811 10.333 885 HZ2 TRP 113 2HZ TRP 113 -8.701 -1.847 10.498 886 HZ3 TRP 113 3HZ TRP 113 -5.436 0.892 10.653 887 HH2 TRP 113 HH TRP 113 -6.292 -1.390 10.727 888 H ALA 114 H ALA 114 -11.814 6.090 8.593 889 HA ALA 114 HA ALA 114 -14.095 4.511 8.494 890 1HB ALA 114 1HB ALA 114 -14.058 6.852 9.228 891 2HB ALA 114 2HB ALA 114 -15.322 6.542 8.037 892 3HB ALA 114 3HB ALA 114 -13.835 7.357 7.552 893 H GLU 115 H GLU 115 -12.214 5.878 5.845 894 HA GLU 115 HA GLU 115 -14.220 5.231 3.886 895 1HB GLU 115 2HB GLU 115 -12.574 5.957 2.218 896 2HB GLU 115 1HB GLU 115 -12.794 7.147 3.490 897 1HG GLU 115 2HG GLU 115 -10.717 6.458 4.527 898 2HG GLU 115 1HG GLU 115 -10.511 5.201 3.306 899 H LEU 116 H LEU 116 -11.667 3.555 5.417 900 HA LEU 116 HA LEU 116 -11.102 1.610 3.448 901 1HB LEU 116 2HB LEU 116 -10.930 1.626 6.451 902 2HB LEU 116 1HB LEU 116 -10.590 0.168 5.541 903 HG LEU 116 HG LEU 116 -9.135 2.733 4.956 904 1HD1 LEU 116 1HD1 LEU 116 -8.866 2.224 7.351 905 2HD1 LEU 116 2HD1 LEU 116 -7.369 2.014 6.446 906 3HD1 LEU 116 3HD1 LEU 116 -8.312 0.604 6.928 907 1HD2 LEU 116 1HD2 LEU 116 -8.402 -0.169 4.597 908 2HD2 LEU 116 2HD2 LEU 116 -7.466 1.226 4.060 909 3HD2 LEU 116 3HD2 LEU 116 -9.033 0.882 3.329 910 H LEU 117 H LEU 117 -13.610 1.942 5.867 911 HA LEU 117 HA LEU 117 -14.701 -0.665 5.539 912 1HB LEU 117 2HB LEU 117 -15.983 1.836 6.645 913 2HB LEU 117 1HB LEU 117 -16.581 0.200 6.847 914 HG LEU 117 HG LEU 117 -13.951 1.222 7.920 915 1HD1 LEU 117 1HD1 LEU 117 -16.549 0.649 9.334 916 2HD1 LEU 117 2HD1 LEU 117 -15.838 2.240 9.065 917 3HD1 LEU 117 3HD1 LEU 117 -15.025 1.074 10.111 918 1HD2 LEU 117 1HD2 LEU 117 -13.878 -1.152 7.425 919 2HD2 LEU 117 2HD2 LEU 117 -15.383 -1.403 8.309 920 3HD2 LEU 117 3HD2 LEU 117 -13.930 -0.893 9.168 921 H THR 118 H THR 118 -15.453 2.513 4.183 922 HA THR 118 HA THR 118 -17.816 1.552 2.851 923 HB THR 118 HB THR 118 -16.445 4.213 2.434 924 HG1 THR 118 1HG THR 118 -18.315 4.672 4.082 925 1HG2 THR 118 1HG2 THR 118 -18.706 4.977 1.872 926 2HG2 THR 118 2HG2 THR 118 -19.328 3.351 2.147 927 3HG2 THR 118 3HG2 THR 118 -18.213 3.650 0.816 928 H LEU 119 H LEU 119 -14.538 2.514 1.824 929 HA LEU 119 HA LEU 119 -15.171 2.305 -0.957 930 1HB LEU 119 2HB LEU 119 -12.516 2.476 0.466 931 2HB LEU 119 1HB LEU 119 -12.704 2.514 -1.277 932 HG LEU 119 HG LEU 119 -13.790 4.559 0.665 933 1HD1 LEU 119 1HD1 LEU 119 -11.384 4.705 0.428 934 2HD1 LEU 119 2HD1 LEU 119 -12.157 6.058 -0.399 935 3HD1 LEU 119 3HD1 LEU 119 -11.531 4.695 -1.328 936 1HD2 LEU 119 1HD2 LEU 119 -15.267 4.292 -1.248 937 2HD2 LEU 119 2HD2 LEU 119 -13.901 4.462 -2.349 938 3HD2 LEU 119 3HD2 LEU 119 -14.400 5.825 -1.347 939 H MET 120 H MET 120 -13.337 0.241 1.296 940 HA MET 120 HA MET 120 -12.606 -1.660 -0.660 941 1HB MET 120 2HB MET 120 -12.854 -1.960 2.335 942 2HB MET 120 1HB MET 120 -12.141 -3.166 1.275 943 1HG MET 120 2HG MET 120 -11.139 -0.362 1.707 944 2HG MET 120 1HG MET 120 -10.430 -1.838 2.360 945 1HE MET 120 1HE MET 120 -7.798 -0.678 -0.297 946 2HE MET 120 2HE MET 120 -8.065 -1.125 1.388 947 3HE MET 120 3HE MET 120 -8.782 0.352 0.743 948 H ARG 121 H ARG 121 -15.459 -1.289 1.320 949 HA ARG 121 HA ARG 121 -16.577 -3.841 1.042 950 1HB ARG 121 2HB ARG 121 -17.315 -1.708 2.408 951 2HB ARG 121 1HB ARG 121 -18.281 -1.372 0.982 952 1HG ARG 121 2HG ARG 121 -18.450 -3.978 2.465 953 2HG ARG 121 1HG ARG 121 -19.427 -2.574 2.886 954 1HD ARG 121 2HD ARG 121 -20.346 -2.559 0.604 955 2HD ARG 121 1HD ARG 121 -19.398 -3.996 0.226 956 HE ARG 121 HE ARG 121 -21.039 -4.397 2.524 957 1HH1 ARG 121 1HH1 ARG 121 -21.113 -4.259 -0.968 958 2HH1 ARG 121 2HH1 ARG 121 -22.482 -5.314 -1.114 959 1HH2 ARG 121 1HH2 ARG 121 -22.833 -5.792 2.346 960 2HH2 ARG 121 2HH2 ARG 121 -23.466 -6.188 0.776 961 H SER 122 H SER 122 -16.526 -1.068 -1.094 962 HA SER 122 HA SER 122 -18.363 -2.149 -3.007 963 1HB SER 122 2HB SER 122 -18.023 0.286 -2.665 964 2HB SER 122 1HB SER 122 -16.386 0.126 -3.292 965 HG SER 122 HG SER 122 -17.783 -0.940 -5.141 966 H ILE 123 H ILE 123 -14.913 -2.252 -2.508 967 HA ILE 123 HA ILE 123 -14.324 -3.118 -5.205 968 HB ILE 123 HB ILE 123 -12.514 -3.053 -2.783 969 1HG1 ILE 123 2HG1 ILE 123 -12.786 -1.012 -5.000 970 2HG1 ILE 123 1HG1 ILE 123 -13.487 -0.831 -3.397 971 1HG2 ILE 123 1HG2 ILE 123 -10.690 -3.096 -4.400 972 2HG2 ILE 123 2HG2 ILE 123 -11.853 -3.184 -5.721 973 3HG2 ILE 123 3HG2 ILE 123 -11.718 -4.518 -4.577 974 1HD1 ILE 123 1HD1 ILE 123 -11.254 -0.868 -2.416 975 2HD1 ILE 123 2HD1 ILE 123 -11.420 0.423 -3.606 976 3HD1 ILE 123 3HD1 ILE 123 -10.552 -1.056 -4.021 977 H VAL 124 H VAL 124 -14.376 -4.529 -1.966 978 HA VAL 124 HA VAL 124 -14.326 -7.192 -3.167 979 HB VAL 124 HB VAL 124 -13.091 -7.968 -1.076 980 1HG1 VAL 124 1HG1 VAL 124 -12.018 -7.884 -3.236 981 2HG1 VAL 124 2HG1 VAL 124 -10.891 -7.365 -1.980 982 3HG1 VAL 124 3HG1 VAL 124 -11.664 -6.170 -3.022 983 1HG2 VAL 124 1HG2 VAL 124 -11.680 -6.322 0.063 984 2HG2 VAL 124 2HG2 VAL 124 -13.392 -5.978 0.301 985 3HG2 VAL 124 3HG2 VAL 124 -12.456 -5.026 -0.850 986 H ASP 125 H ASP 125 -16.490 -7.188 -3.067 987 HA ASP 125 HA ASP 125 -18.267 -6.681 -1.064 988 1HB ASP 125 2HB ASP 125 -18.866 -7.391 -3.348 989 2HB ASP 125 1HB ASP 125 -18.349 -9.029 -2.973 990 H THR 126 H THR 126 -16.059 -9.370 -1.265 991 HA THR 126 HA THR 126 -17.181 -11.077 0.670 992 HB THR 126 HB THR 126 -14.229 -10.679 0.128 993 HG1 THR 126 1HG THR 126 -15.447 -11.046 -1.814 994 1HG2 THR 126 1HG2 THR 126 -14.054 -13.048 0.742 995 2HG2 THR 126 2HG2 THR 126 -15.784 -13.092 1.076 996 3HG2 THR 126 3HG2 THR 126 -14.721 -12.094 2.065 997 HA PRO 127 HA PRO 127 -16.985 -8.622 4.383 998 1HB PRO 127 2HB PRO 127 -16.633 -10.875 6.046 999 2HB PRO 127 1HB PRO 127 -18.160 -10.098 5.627 1000 1HG PRO 127 2HG PRO 127 -16.877 -12.509 4.453 1001 2HG PRO 127 1HG PRO 127 -18.599 -12.143 4.678 1002 1HD PRO 127 2HD PRO 127 -17.467 -12.002 2.262 1003 2HD PRO 127 1HD PRO 127 -18.692 -10.820 2.768 1004 H ALA 128 H ALA 128 -15.300 -7.549 5.142 1005 HA ALA 128 HA ALA 128 -12.653 -8.783 4.876 1006 1HB ALA 128 1HB ALA 128 -13.081 -6.737 3.589 1007 2HB ALA 128 2HB ALA 128 -11.775 -6.532 4.756 1008 3HB ALA 128 3HB ALA 128 -13.371 -5.866 5.094 1009 H ALA 129 H ALA 129 -14.356 -6.559 7.110 1010 HA ALA 129 HA ALA 129 -12.827 -7.675 9.335 1011 1HB ALA 129 1HB ALA 129 -12.118 -5.456 10.110 1012 2HB ALA 129 2HB ALA 129 -12.786 -4.736 8.646 1013 3HB ALA 129 3HB ALA 129 -11.426 -5.853 8.536 1014 H GLN 130 H GLN 130 -13.610 -6.809 11.460 1015 HA GLN 130 HA GLN 130 -16.364 -5.820 11.359 1016 1HB GLN 130 2HB GLN 130 -15.489 -8.409 12.587 1017 2HB GLN 130 1HB GLN 130 -16.872 -7.540 13.229 1018 1HG GLN 130 2HG GLN 130 -17.885 -7.621 10.954 1019 2HG GLN 130 1HG GLN 130 -16.549 -8.660 10.458 1020 1HE2 GLN 130 1HE2 GLN 130 -17.986 -10.364 10.017 1021 2HE2 GLN 130 2HE2 GLN 130 -18.722 -11.290 11.282 1022 H GLU 131 H GLU 131 -15.561 -3.877 12.197 1023 HA GLU 131 HA GLU 131 -16.037 -3.584 14.907 1024 1HB GLU 131 2HB GLU 131 -13.694 -4.625 15.045 1025 2HB GLU 131 1HB GLU 131 -13.104 -3.114 14.362 1026 1HG GLU 131 2HG GLU 131 -14.190 -1.917 16.256 1027 2HG GLU 131 1HG GLU 131 -14.576 -3.484 16.959 1028 H THR 132 H THR 132 -15.394 -1.307 15.653 1029 HA THR 132 HA THR 132 -15.178 0.931 15.399 1030 HB THR 132 HB THR 132 -14.576 0.458 12.475 1031 HG1 THR 132 1HG THR 132 -12.945 0.329 14.797 1032 1HG2 THR 132 1HG2 THR 132 -13.956 2.759 14.334 1033 2HG2 THR 132 2HG2 THR 132 -15.119 2.774 13.007 1034 3HG2 THR 132 3HG2 THR 132 -13.391 2.620 12.673 1035 H VAL 133 H VAL 133 -16.504 -0.101 12.264 1036 HA VAL 133 HA VAL 133 -18.293 0.620 11.070 1037 HB VAL 133 HB VAL 133 -19.696 0.639 13.748 1038 1HG1 VAL 133 1HG1 VAL 133 -20.987 1.676 11.947 1039 2HG1 VAL 133 2HG1 VAL 133 -21.705 0.141 12.438 1040 3HG1 VAL 133 3HG1 VAL 133 -20.764 0.237 10.951 1041 1HG2 VAL 133 1HG2 VAL 133 -20.296 -1.698 13.246 1042 2HG2 VAL 133 2HG2 VAL 133 -18.556 -1.482 13.446 1043 3HG2 VAL 133 3HG2 VAL 133 -19.243 -1.646 11.831 1044 H GLN 134 H GLN 134 -17.165 2.619 10.663 1045 HA GLN 134 HA GLN 134 -18.666 4.925 11.690 1046 1HB GLN 134 2HB GLN 134 -16.228 4.588 12.608 1047 2HB GLN 134 1HB GLN 134 -15.743 5.151 11.018 1048 1HG GLN 134 2HG GLN 134 -17.453 6.672 12.974 1049 2HG GLN 134 1HG GLN 134 -15.740 6.938 12.680 1050 1HE2 GLN 134 1HE2 GLN 134 -18.963 7.399 11.499 1051 2HE2 GLN 134 2HE2 GLN 134 -18.554 8.498 10.226 Start of MODEL 2 1 1H MET 1 1HT MET 1 14.141 -0.203 24.276 2 2H MET 1 2HT MET 1 15.029 -1.561 23.776 3 3H MET 1 3HT MET 1 13.677 -1.053 22.887 4 HA MET 1 HA MET 1 16.173 0.488 23.248 5 1HB MET 1 2HB MET 1 16.615 0.033 20.894 6 2HB MET 1 1HB MET 1 16.505 -1.464 21.799 7 1HG MET 1 2HG MET 1 14.289 -0.324 20.108 8 2HG MET 1 1HG MET 1 15.431 -1.557 19.578 9 1HE MET 1 1HE MET 1 13.349 -3.106 18.896 10 2HE MET 1 2HE MET 1 12.249 -1.848 19.458 11 3HE MET 1 3HE MET 1 12.042 -3.510 20.009 12 H ALA 2 H ALA 2 16.016 2.582 22.801 13 HA ALA 2 HA ALA 2 13.367 3.569 22.064 14 1HB ALA 2 1HB ALA 2 14.378 4.468 24.106 15 2HB ALA 2 2HB ALA 2 14.141 5.736 22.899 16 3HB ALA 2 3HB ALA 2 15.747 5.059 23.163 17 H ASN 3 H ASN 3 13.152 3.575 19.914 18 HA ASN 3 HA ASN 3 14.852 5.423 18.421 19 1HB ASN 3 2HB ASN 3 14.218 2.607 17.504 20 2HB ASN 3 1HB ASN 3 14.852 3.865 16.452 21 1HD2 ASN 3 1HD2 ASN 3 15.558 1.572 18.908 22 2HD2 ASN 3 2HD2 ASN 3 17.274 1.792 18.929 23 H ASP 4 H ASP 4 13.633 6.792 17.251 24 HA ASP 4 HA ASP 4 10.787 6.265 17.078 25 1HB ASP 4 2HB ASP 4 10.632 8.607 16.236 26 2HB ASP 4 1HB ASP 4 11.404 8.480 17.811 27 H THR 5 H THR 5 13.164 7.487 14.708 28 HA THR 5 HA THR 5 12.396 5.427 12.825 29 HB THR 5 HB THR 5 12.063 8.329 12.021 30 HG1 THR 5 1HG THR 5 10.328 6.585 13.231 31 1HG2 THR 5 1HG2 THR 5 11.044 7.360 9.992 32 2HG2 THR 5 2HG2 THR 5 11.426 5.745 10.583 33 3HG2 THR 5 3HG2 THR 5 12.725 6.866 10.184 34 HA PRO 6 HA PRO 6 16.776 6.634 12.591 35 1HB PRO 6 2HB PRO 6 17.503 3.878 12.494 36 2HB PRO 6 1HB PRO 6 17.661 4.986 13.855 37 1HG PRO 6 2HG PRO 6 15.955 2.803 13.760 38 2HG PRO 6 1HG PRO 6 15.790 4.179 14.866 39 1HD PRO 6 2HD PRO 6 14.352 3.616 12.304 40 2HD PRO 6 1HD PRO 6 13.746 4.353 13.804 41 H PHE 7 H PHE 7 16.856 7.418 10.525 42 HA PHE 7 HA PHE 7 17.535 7.497 8.369 43 1HB PHE 7 2HB PHE 7 18.799 4.855 9.112 44 2HB PHE 7 1HB PHE 7 19.192 5.790 7.675 45 HD1 PHE 7 1HD PHE 7 20.235 8.039 7.929 46 HD2 PHE 7 2HD PHE 7 19.752 5.375 11.209 47 HE1 PHE 7 1HE PHE 7 21.915 9.310 9.205 48 HE2 PHE 7 2HE PHE 7 21.425 6.638 12.492 49 HZ PHE 7 HZ PHE 7 22.508 8.609 11.494 50 H SER 8 H SER 8 14.930 6.271 8.862 51 HA SER 8 HA SER 8 13.246 5.267 7.707 52 1HB SER 8 2HB SER 8 15.142 5.588 5.369 53 2HB SER 8 1HB SER 8 13.405 5.295 5.256 54 HG SER 8 HG SER 8 14.428 7.592 5.218 55 H ALA 9 H ALA 9 15.238 3.573 8.972 56 HA ALA 9 HA ALA 9 16.094 1.387 7.527 57 1HB ALA 9 1HB ALA 9 16.691 1.822 9.864 58 2HB ALA 9 2HB ALA 9 16.125 0.169 9.628 59 3HB ALA 9 3HB ALA 9 15.060 1.369 10.358 60 H LEU 10 H LEU 10 12.859 2.135 8.566 61 HA LEU 10 HA LEU 10 11.680 -0.398 8.424 62 1HB LEU 10 2HB LEU 10 10.458 2.294 7.799 63 2HB LEU 10 1HB LEU 10 9.558 0.818 8.098 64 HG LEU 10 HG LEU 10 11.334 2.214 10.105 65 1HD1 LEU 10 1HD1 LEU 10 9.330 3.497 9.640 66 2HD1 LEU 10 2HD1 LEU 10 9.237 2.768 11.244 67 3HD1 LEU 10 3HD1 LEU 10 8.332 2.065 9.901 68 1HD2 LEU 10 1HD2 LEU 10 11.283 -0.183 10.472 69 2HD2 LEU 10 2HD2 LEU 10 9.521 -0.179 10.386 70 3HD2 LEU 10 3HD2 LEU 10 10.341 0.644 11.715 71 H TRP 11 H TRP 11 12.295 2.012 5.915 72 HA TRP 11 HA TRP 11 10.855 0.734 3.828 73 1HB TRP 11 2HB TRP 11 12.082 3.147 4.100 74 2HB TRP 11 1HB TRP 11 13.250 2.305 3.088 75 HD1 TRP 11 HD TRP 11 10.002 4.130 2.926 76 HE1 TRP 11 1HE TRP 11 9.068 4.070 0.526 77 HE3 TRP 11 3HE TRP 11 13.104 0.601 0.942 78 HZ2 TRP 11 2HZ TRP 11 9.586 2.685 -1.898 79 HZ3 TRP 11 3HZ TRP 11 12.815 -0.036 -1.400 80 HH2 TRP 11 HH TRP 11 11.091 0.989 -2.801 81 H GLN 12 H GLN 12 14.088 0.366 5.107 82 HA GLN 12 HA GLN 12 15.009 -1.297 2.969 83 1HB GLN 12 2HB GLN 12 16.116 -0.863 5.747 84 2HB GLN 12 1HB GLN 12 16.953 -1.645 4.421 85 1HG GLN 12 2HG GLN 12 16.967 0.414 3.162 86 2HG GLN 12 1HG GLN 12 16.028 1.214 4.423 87 1HE2 GLN 12 1HE2 GLN 12 19.142 -0.012 3.502 88 2HE2 GLN 12 2HE2 GLN 12 20.030 0.701 4.809 89 H ARG 13 H ARG 13 13.656 -1.800 6.186 90 HA ARG 13 HA ARG 13 14.236 -4.597 6.239 91 1HB ARG 13 2HB ARG 13 12.902 -2.671 8.026 92 2HB ARG 13 1HB ARG 13 12.354 -4.338 8.162 93 1HG ARG 13 2HG ARG 13 14.192 -3.723 9.726 94 2HG ARG 13 1HG ARG 13 14.553 -5.098 8.681 95 1HD ARG 13 2HD ARG 13 15.725 -3.490 7.146 96 2HD ARG 13 1HD ARG 13 15.526 -2.264 8.395 97 HE ARG 13 HE ARG 13 16.885 -3.725 9.856 98 1HH1 ARG 13 1HH1 ARG 13 17.007 -4.251 6.400 99 2HH1 ARG 13 2HH1 ARG 13 18.638 -4.848 6.406 100 1HH2 ARG 13 1HH2 ARG 13 19.034 -4.490 9.889 101 2HH2 ARG 13 2HH2 ARG 13 19.789 -5.024 8.411 102 H LEU 14 H LEU 14 11.477 -2.706 5.162 103 HA LEU 14 HA LEU 14 9.727 -4.941 4.975 104 1HB LEU 14 2HB LEU 14 8.361 -3.510 3.498 105 2HB LEU 14 1HB LEU 14 8.782 -2.762 5.017 106 HG LEU 14 HG LEU 14 10.672 -1.610 3.638 107 1HD1 LEU 14 1HD1 LEU 14 10.373 -2.857 1.578 108 2HD1 LEU 14 2HD1 LEU 14 10.008 -1.149 1.324 109 3HD1 LEU 14 3HD1 LEU 14 8.698 -2.319 1.476 110 1HD2 LEU 14 1HD2 LEU 14 9.135 0.228 3.122 111 2HD2 LEU 14 2HD2 LEU 14 8.836 -0.448 4.723 112 3HD2 LEU 14 3HD2 LEU 14 7.764 -0.853 3.382 113 H LEU 15 H LEU 15 12.228 -3.658 3.013 114 HA LEU 15 HA LEU 15 11.703 -5.216 0.677 115 1HB LEU 15 2HB LEU 15 14.258 -3.932 1.640 116 2HB LEU 15 1HB LEU 15 14.031 -4.647 0.060 117 HG LEU 15 HG LEU 15 12.604 -2.224 1.133 118 1HD1 LEU 15 1HD1 LEU 15 14.678 -2.544 -1.031 119 2HD1 LEU 15 2HD1 LEU 15 14.927 -1.805 0.550 120 3HD1 LEU 15 3HD1 LEU 15 13.845 -1.045 -0.617 121 1HD2 LEU 15 1HD2 LEU 15 11.150 -3.549 -0.314 122 2HD2 LEU 15 2HD2 LEU 15 12.397 -3.556 -1.562 123 3HD2 LEU 15 3HD2 LEU 15 11.630 -2.039 -1.090 124 H THR 16 H THR 16 13.298 -5.768 3.696 125 HA THR 16 HA THR 16 15.101 -7.773 3.039 126 HB THR 16 HB THR 16 13.525 -7.513 5.610 127 HG1 THR 16 1HG THR 16 15.936 -6.301 4.677 128 1HG2 THR 16 1HG2 THR 16 15.446 -8.619 6.645 129 2HG2 THR 16 2HG2 THR 16 16.217 -8.777 5.067 130 3HG2 THR 16 3HG2 THR 16 14.725 -9.651 5.409 131 H ARG 17 H ARG 17 11.664 -8.042 3.899 132 HA ARG 17 HA ARG 17 11.407 -10.424 2.332 133 1HB ARG 17 2HB ARG 17 12.384 -11.334 4.434 134 2HB ARG 17 1HB ARG 17 11.015 -10.685 5.323 135 1HG ARG 17 2HG ARG 17 9.503 -12.134 4.084 136 2HG ARG 17 1HG ARG 17 10.858 -12.760 3.143 137 1HD ARG 17 2HD ARG 17 10.516 -13.008 6.132 138 2HD ARG 17 1HD ARG 17 10.223 -14.285 4.952 139 HE ARG 17 HE ARG 17 12.751 -13.727 4.414 140 1HH1 ARG 17 1HH1 ARG 17 11.166 -14.137 7.507 141 2HH1 ARG 17 2HH1 ARG 17 12.611 -14.660 8.321 142 1HH2 ARG 17 1HH2 ARG 17 14.647 -14.430 5.468 143 2HH2 ARG 17 2HH2 ARG 17 14.593 -14.818 7.164 144 H GLY 18 H GLY 18 9.648 -9.717 1.266 145 1HA GLY 18 2HA GLY 18 7.163 -10.111 1.752 146 2HA GLY 18 1HA GLY 18 7.370 -8.770 2.870 147 H TRP 19 H TRP 19 8.555 -6.823 1.701 148 HA TRP 19 HA TRP 19 6.646 -6.127 -0.391 149 1HB TRP 19 2HB TRP 19 8.564 -4.400 1.190 150 2HB TRP 19 1HB TRP 19 7.404 -3.799 0.015 151 HD1 TRP 19 HD TRP 19 6.662 -6.378 2.811 152 HE1 TRP 19 1HE TRP 19 4.852 -5.390 4.346 153 HE3 TRP 19 3HE TRP 19 6.253 -1.751 0.689 154 HZ2 TRP 19 2HZ TRP 19 3.438 -2.954 4.625 155 HZ3 TRP 19 3HZ TRP 19 4.660 -0.147 1.647 156 HH2 TRP 19 HH TRP 19 3.278 -0.736 3.575 157 H GLN 20 H GLN 20 7.417 -4.690 -2.147 158 HA GLN 20 HA GLN 20 10.194 -4.792 -2.909 159 1HB GLN 20 2HB GLN 20 9.384 -6.956 -3.772 160 2HB GLN 20 1HB GLN 20 8.089 -6.132 -4.632 161 1HG GLN 20 2HG GLN 20 9.801 -4.923 -5.950 162 2HG GLN 20 1HG GLN 20 11.044 -5.881 -5.150 163 1HE2 GLN 20 1HE2 GLN 20 8.456 -5.891 -7.458 164 2HE2 GLN 20 2HE2 GLN 20 8.812 -7.433 -8.154 165 HA PRO 21 HA PRO 21 8.688 -0.932 -4.602 166 1HB PRO 21 2HB PRO 21 11.270 -0.691 -5.954 167 2HB PRO 21 1HB PRO 21 10.588 0.301 -4.666 168 1HG PRO 21 2HG PRO 21 12.671 -1.348 -4.237 169 2HG PRO 21 1HG PRO 21 11.446 -1.034 -2.998 170 1HD PRO 21 2HD PRO 21 11.694 -3.392 -4.848 171 2HD PRO 21 1HD PRO 21 11.346 -3.364 -3.103 172 H VAL 22 H VAL 22 7.425 -0.747 -6.304 173 HA VAL 22 HA VAL 22 7.897 -2.446 -8.626 174 HB VAL 22 HB VAL 22 5.601 -1.704 -9.334 175 1HG1 VAL 22 1HG1 VAL 22 5.947 -3.835 -8.242 176 2HG1 VAL 22 2HG1 VAL 22 4.444 -3.110 -7.669 177 3HG1 VAL 22 3HG1 VAL 22 5.887 -3.061 -6.658 178 1HG2 VAL 22 1HG2 VAL 22 4.162 -0.685 -7.617 179 2HG2 VAL 22 2HG2 VAL 22 5.478 0.386 -8.099 180 3HG2 VAL 22 3HG2 VAL 22 5.569 -0.490 -6.571 181 H GLU 23 H GLU 23 6.753 -1.223 -10.652 182 HA GLU 23 HA GLU 23 8.073 1.351 -11.027 183 1HB GLU 23 2HB GLU 23 9.352 -0.968 -11.806 184 2HB GLU 23 1HB GLU 23 8.517 -0.493 -13.272 185 1HG GLU 23 2HG GLU 23 9.766 1.795 -12.129 186 2HG GLU 23 1HG GLU 23 10.941 0.491 -12.248 187 H ALA 24 H ALA 24 7.688 1.638 -13.708 188 HA ALA 24 HA ALA 24 4.751 1.455 -13.911 189 1HB ALA 24 1HB ALA 24 5.639 3.743 -13.850 190 2HB ALA 24 2HB ALA 24 4.864 3.380 -15.392 191 3HB ALA 24 3HB ALA 24 6.622 3.390 -15.271 192 H SER 25 H SER 25 7.794 0.936 -15.570 193 HA SER 25 HA SER 25 6.694 0.180 -18.075 194 1HB SER 25 2HB SER 25 9.359 -0.704 -16.958 195 2HB SER 25 1HB SER 25 8.916 -0.467 -18.650 196 HG SER 25 HG SER 25 9.339 1.475 -16.632 197 H THR 26 H THR 26 7.234 -1.514 -15.082 198 HA THR 26 HA THR 26 6.494 -4.034 -16.412 199 HB THR 26 HB THR 26 8.837 -4.057 -15.630 200 HG1 THR 26 1HG THR 26 6.926 -5.764 -14.420 201 1HG2 THR 26 1HG2 THR 26 8.646 -2.527 -13.742 202 2HG2 THR 26 2HG2 THR 26 9.326 -4.069 -13.221 203 3HG2 THR 26 3HG2 THR 26 7.636 -3.692 -12.885 204 H VAL 27 H VAL 27 4.955 -1.817 -14.846 205 HA VAL 27 HA VAL 27 4.014 -3.102 -12.481 206 HB VAL 27 HB VAL 27 3.858 -0.655 -12.810 207 1HG1 VAL 27 1HG1 VAL 27 2.053 0.293 -14.154 208 2HG1 VAL 27 2HG1 VAL 27 1.659 -1.316 -14.760 209 3HG1 VAL 27 3HG1 VAL 27 3.216 -0.582 -15.150 210 1HG2 VAL 27 1HG2 VAL 27 2.496 -1.712 -11.114 211 2HG2 VAL 27 2HG2 VAL 27 1.238 -2.058 -12.300 212 3HG2 VAL 27 3HG2 VAL 27 1.597 -0.388 -11.859 213 H ASP 28 H ASP 28 2.983 -3.051 -15.832 214 HA ASP 28 HA ASP 28 0.478 -4.323 -15.494 215 1HB ASP 28 2HB ASP 28 1.259 -3.081 -17.550 216 2HB ASP 28 1HB ASP 28 2.283 -4.463 -17.919 217 H ASP 29 H ASP 29 3.703 -5.537 -16.328 218 HA ASP 29 HA ASP 29 3.083 -8.262 -16.476 219 1HB ASP 29 2HB ASP 29 5.209 -7.430 -17.274 220 2HB ASP 29 1HB ASP 29 5.662 -6.910 -15.656 221 H TRP 30 H TRP 30 4.025 -6.279 -13.706 222 HA TRP 30 HA TRP 30 4.321 -8.408 -11.886 223 1HB TRP 30 2HB TRP 30 5.131 -6.017 -11.581 224 2HB TRP 30 1HB TRP 30 3.477 -5.606 -11.131 225 HD1 TRP 30 HD TRP 30 6.428 -7.782 -9.942 226 HE1 TRP 30 1HE TRP 30 6.187 -8.173 -7.408 227 HE3 TRP 30 3HE TRP 30 1.869 -5.579 -9.209 228 HZ2 TRP 30 2HZ TRP 30 4.314 -7.615 -5.369 229 HZ3 TRP 30 3HZ TRP 30 0.926 -5.548 -6.938 230 HH2 TRP 30 HH TRP 30 2.122 -6.546 -5.060 231 H ILE 31 H ILE 31 1.566 -6.236 -12.491 232 HA ILE 31 HA ILE 31 -0.181 -7.447 -10.639 233 HB ILE 31 HB ILE 31 -0.766 -5.812 -13.113 234 1HG1 ILE 31 2HG1 ILE 31 0.381 -4.608 -11.349 235 2HG1 ILE 31 1HG1 ILE 31 -1.296 -4.074 -11.429 236 1HG2 ILE 31 1HG2 ILE 31 -2.709 -6.668 -10.971 237 2HG2 ILE 31 2HG2 ILE 31 -2.681 -7.269 -12.629 238 3HG2 ILE 31 3HG2 ILE 31 -3.050 -5.572 -12.311 239 1HD1 ILE 31 1HD1 ILE 31 -1.832 -5.519 -9.525 240 2HD1 ILE 31 2HD1 ILE 31 -0.586 -4.332 -9.136 241 3HD1 ILE 31 3HD1 ILE 31 -0.140 -6.009 -9.438 242 H LYS 32 H LYS 32 0.409 -8.056 -14.056 243 HA LYS 32 HA LYS 32 -1.584 -10.001 -14.457 244 1HB LYS 32 2HB LYS 32 -0.515 -8.962 -16.333 245 2HB LYS 32 1HB LYS 32 1.073 -9.489 -15.803 246 1HG LYS 32 2HG LYS 32 -0.966 -11.561 -16.445 247 2HG LYS 32 1HG LYS 32 -0.201 -10.681 -17.767 248 1HD LYS 32 2HD LYS 32 1.192 -12.297 -15.630 249 2HD LYS 32 1HD LYS 32 1.010 -12.732 -17.333 250 1HE LYS 32 2HE LYS 32 2.307 -10.702 -17.932 251 2HE LYS 32 1HE LYS 32 2.571 -10.405 -16.214 252 1HZ LYS 32 1HZ LYS 32 3.543 -12.699 -17.824 253 2HZ LYS 32 2HZ LYS 32 3.626 -12.653 -16.134 254 3HZ LYS 32 3HZ LYS 32 4.473 -11.504 -17.052 255 H ARG 33 H ARG 33 1.599 -10.158 -13.037 256 HA ARG 33 HA ARG 33 1.783 -13.029 -13.181 257 1HB ARG 33 2HB ARG 33 3.637 -11.102 -13.045 258 2HB ARG 33 1HB ARG 33 3.510 -11.469 -11.335 259 1HG ARG 33 2HG ARG 33 4.091 -13.511 -13.468 260 2HG ARG 33 1HG ARG 33 5.314 -12.698 -12.492 261 1HD ARG 33 2HD ARG 33 3.074 -14.383 -11.383 262 2HD ARG 33 1HD ARG 33 4.715 -14.960 -11.671 263 HE ARG 33 HE ARG 33 5.211 -12.888 -10.093 264 1HH1 ARG 33 1HH1 ARG 33 2.679 -15.275 -9.827 265 2HH1 ARG 33 2HH1 ARG 33 2.701 -15.316 -8.090 266 1HH2 ARG 33 1HH2 ARG 33 5.285 -12.945 -7.803 267 2HH2 ARG 33 2HH2 ARG 33 4.194 -13.991 -6.932 268 H VAL 34 H VAL 34 1.183 -10.628 -10.627 269 HA VAL 34 HA VAL 34 0.953 -12.729 -8.644 270 HB VAL 34 HB VAL 34 0.576 -10.949 -7.011 271 1HG1 VAL 34 1HG1 VAL 34 2.896 -10.454 -8.872 272 2HG1 VAL 34 2HG1 VAL 34 2.851 -11.580 -7.514 273 3HG1 VAL 34 3HG1 VAL 34 2.770 -9.844 -7.221 274 1HG2 VAL 34 1HG2 VAL 34 0.742 -9.065 -9.363 275 2HG2 VAL 34 2HG2 VAL 34 0.748 -8.585 -7.667 276 3HG2 VAL 34 3HG2 VAL 34 -0.677 -9.364 -8.357 277 H GLY 35 H GLY 35 -1.235 -10.432 -10.226 278 1HA GLY 35 2HA GLY 35 -3.500 -10.658 -10.635 279 2HA GLY 35 1HA GLY 35 -3.471 -12.190 -9.781 280 H ASP 36 H ASP 36 -2.512 -11.403 -7.327 281 HA ASP 36 HA ASP 36 -4.622 -9.586 -6.350 282 1HB ASP 36 2HB ASP 36 -4.893 -12.115 -5.911 283 2HB ASP 36 1HB ASP 36 -3.551 -11.937 -4.788 284 H GLY 37 H GLY 37 -3.530 -7.752 -5.847 285 1HA GLY 37 2HA GLY 37 -1.555 -7.806 -3.763 286 2HA GLY 37 1HA GLY 37 -0.849 -7.461 -5.334 287 H VAL 38 H VAL 38 -0.248 -5.431 -4.192 288 HA VAL 38 HA VAL 38 -2.184 -3.386 -4.841 289 HB VAL 38 HB VAL 38 -2.968 -3.761 -2.653 290 1HG1 VAL 38 1HG1 VAL 38 -0.114 -3.678 -1.688 291 2HG1 VAL 38 2HG1 VAL 38 -1.124 -5.119 -1.811 292 3HG1 VAL 38 3HG1 VAL 38 -1.542 -3.844 -0.667 293 1HG2 VAL 38 1HG2 VAL 38 -1.046 -1.451 -2.541 294 2HG2 VAL 38 2HG2 VAL 38 -2.405 -1.703 -1.446 295 3HG2 VAL 38 3HG2 VAL 38 -2.697 -1.413 -3.161 296 H ILE 39 H ILE 39 -1.291 -1.486 -5.336 297 HA ILE 39 HA ILE 39 1.634 -1.259 -5.058 298 HB ILE 39 HB ILE 39 -0.221 -0.197 -7.184 299 1HG1 ILE 39 2HG1 ILE 39 1.607 -1.094 -8.682 300 2HG1 ILE 39 1HG1 ILE 39 2.366 -1.771 -7.248 301 1HG2 ILE 39 1HG2 ILE 39 2.564 0.811 -6.622 302 2HG2 ILE 39 2HG2 ILE 39 1.062 1.729 -6.490 303 3HG2 ILE 39 3HG2 ILE 39 1.620 1.171 -8.068 304 1HD1 ILE 39 1HD1 ILE 39 0.381 -3.131 -6.850 305 2HD1 ILE 39 2HD1 ILE 39 1.085 -3.441 -8.438 306 3HD1 ILE 39 3HD1 ILE 39 -0.370 -2.453 -8.295 307 H LEU 40 H LEU 40 2.191 0.023 -3.454 308 HA LEU 40 HA LEU 40 0.504 2.154 -2.504 309 1HB LEU 40 2HB LEU 40 2.287 0.655 -1.255 310 2HB LEU 40 1HB LEU 40 3.401 1.894 -1.795 311 HG LEU 40 HG LEU 40 0.969 2.401 -0.076 312 1HD1 LEU 40 1HD1 LEU 40 3.888 2.234 0.657 313 2HD1 LEU 40 2HD1 LEU 40 2.633 1.081 1.105 314 3HD1 LEU 40 3HD1 LEU 40 2.582 2.727 1.734 315 1HD2 LEU 40 1HD2 LEU 40 3.261 4.200 -0.860 316 2HD2 LEU 40 2HD2 LEU 40 1.985 4.601 0.290 317 3HD2 LEU 40 3HD2 LEU 40 1.592 4.342 -1.410 318 H LEU 41 H LEU 41 0.281 3.911 -3.723 319 HA LEU 41 HA LEU 41 2.179 4.666 -5.719 320 1HB LEU 41 2HB LEU 41 -0.443 5.045 -5.494 321 2HB LEU 41 1HB LEU 41 0.083 6.537 -4.742 322 HG LEU 41 HG LEU 41 1.352 7.092 -6.804 323 1HD1 LEU 41 1HD1 LEU 41 -0.058 4.674 -7.928 324 2HD1 LEU 41 2HD1 LEU 41 1.676 4.817 -7.635 325 3HD1 LEU 41 3HD1 LEU 41 0.900 5.838 -8.845 326 1HD2 LEU 41 1HD2 LEU 41 -0.598 7.695 -8.131 327 2HD2 LEU 41 2HD2 LEU 41 -0.898 7.976 -6.417 328 3HD2 LEU 41 3HD2 LEU 41 -1.589 6.564 -7.213 329 H SER 42 H SER 42 3.824 6.053 -5.569 330 HA SER 42 HA SER 42 5.451 7.334 -4.648 331 1HB SER 42 2HB SER 42 3.122 8.671 -3.246 332 2HB SER 42 1HB SER 42 4.719 9.370 -3.512 333 HG SER 42 HG SER 42 3.354 10.120 -5.112 334 H SER 43 H SER 43 4.420 8.457 -1.792 335 HA SER 43 HA SER 43 4.482 6.352 0.021 336 1HB SER 43 2HB SER 43 6.815 6.017 -0.752 337 2HB SER 43 1HB SER 43 7.184 7.692 -0.356 338 HG SER 43 HG SER 43 7.048 7.248 1.773 339 H ASP 44 H ASP 44 6.276 9.389 -0.129 340 HA ASP 44 HA ASP 44 4.543 10.480 1.980 341 1HB ASP 44 2HB ASP 44 7.422 11.152 1.312 342 2HB ASP 44 1HB ASP 44 6.463 11.940 2.560 343 HA PRO 45 HA PRO 45 3.404 13.550 -1.078 344 1HB PRO 45 2HB PRO 45 2.563 15.245 1.152 345 2HB PRO 45 1HB PRO 45 1.577 14.484 -0.099 346 1HG PRO 45 2HG PRO 45 1.516 13.694 2.490 347 2HG PRO 45 1HG PRO 45 1.242 12.579 1.140 348 1HD PRO 45 2HD PRO 45 3.707 12.985 2.796 349 2HD PRO 45 1HD PRO 45 2.994 11.476 2.184 350 H ARG 46 H ARG 46 5.395 14.064 1.670 351 HA ARG 46 HA ARG 46 7.345 15.593 0.453 352 1HB ARG 46 2HB ARG 46 5.383 17.312 0.545 353 2HB ARG 46 1HB ARG 46 5.718 17.375 2.269 354 1HG ARG 46 2HG ARG 46 7.800 18.349 1.963 355 2HG ARG 46 1HG ARG 46 7.915 17.812 0.287 356 1HD ARG 46 2HD ARG 46 6.068 19.940 1.366 357 2HD ARG 46 1HD ARG 46 7.510 20.205 0.384 358 HE ARG 46 HE ARG 46 4.914 19.278 -0.521 359 1HH1 ARG 46 1HH1 ARG 46 8.304 19.721 -1.288 360 2HH1 ARG 46 2HH1 ARG 46 8.062 19.545 -3.007 361 1HH2 ARG 46 1HH2 ARG 46 4.595 19.064 -2.770 362 2HH2 ARG 46 2HH2 ARG 46 5.955 19.188 -3.848 363 H ARG 47 H ARG 47 7.408 17.203 3.210 364 HA ARG 47 HA ARG 47 8.767 15.076 4.641 365 1HB ARG 47 2HB ARG 47 9.225 17.765 4.413 366 2HB ARG 47 1HB ARG 47 8.435 17.681 5.977 367 1HG ARG 47 2HG ARG 47 10.735 15.874 5.346 368 2HG ARG 47 1HG ARG 47 11.015 17.544 5.834 369 1HD ARG 47 2HD ARG 47 11.145 16.359 7.834 370 2HD ARG 47 1HD ARG 47 9.504 16.996 7.841 371 HE ARG 47 HE ARG 47 9.820 14.299 6.803 372 1HH1 ARG 47 1HH1 ARG 47 9.066 16.322 9.558 373 2HH1 ARG 47 2HH1 ARG 47 8.269 15.052 10.433 374 1HH2 ARG 47 1HH2 ARG 47 8.773 12.627 7.954 375 2HH2 ARG 47 2HH2 ARG 47 8.074 12.966 9.507 376 H THR 48 H THR 48 6.006 14.735 4.295 377 HA THR 48 HA THR 48 3.993 14.487 5.444 378 HB THR 48 HB THR 48 5.971 12.715 6.884 379 HG1 THR 48 1HG THR 48 5.874 11.459 5.098 380 1HG2 THR 48 1HG2 THR 48 3.732 12.737 7.919 381 2HG2 THR 48 2HG2 THR 48 4.078 11.192 7.143 382 3HG2 THR 48 3HG2 THR 48 3.014 12.355 6.355 383 HA PRO 49 HA PRO 49 4.432 17.254 9.027 384 1HB PRO 49 2HB PRO 49 2.184 18.661 8.620 385 2HB PRO 49 1HB PRO 49 3.626 18.916 7.631 386 1HG PRO 49 2HG PRO 49 1.143 17.377 6.999 387 2HG PRO 49 1HG PRO 49 2.084 18.463 5.962 388 1HD PRO 49 2HD PRO 49 2.277 15.716 5.916 389 2HD PRO 49 1HD PRO 49 3.559 16.818 5.380 390 H GLU 50 H GLU 50 3.496 14.568 9.367 391 HA GLU 50 HA GLU 50 1.728 15.038 11.604 392 1HB GLU 50 2HB GLU 50 0.161 13.206 10.893 393 2HB GLU 50 1HB GLU 50 0.049 14.691 9.962 394 1HG GLU 50 2HG GLU 50 1.406 13.655 8.192 395 2HG GLU 50 1HG GLU 50 1.438 12.157 9.123 396 H VAL 51 H VAL 51 4.473 14.151 11.062 397 HA VAL 51 HA VAL 51 5.945 12.887 12.246 398 HB VAL 51 HB VAL 51 3.519 11.487 13.400 399 1HG1 VAL 51 1HG1 VAL 51 5.475 10.056 13.525 400 2HG1 VAL 51 2HG1 VAL 51 5.040 10.646 15.128 401 3HG1 VAL 51 3HG1 VAL 51 6.407 11.353 14.268 402 1HG2 VAL 51 1HG2 VAL 51 3.581 13.827 13.996 403 2HG2 VAL 51 2HG2 VAL 51 5.256 13.680 14.527 404 3HG2 VAL 51 3HG2 VAL 51 3.975 12.837 15.400 405 H SER 52 H SER 52 7.093 11.033 11.884 406 HA SER 52 HA SER 52 7.713 9.017 11.061 407 1HB SER 52 2HB SER 52 4.838 8.685 10.171 408 2HB SER 52 1HB SER 52 6.081 7.438 10.102 409 HG SER 52 HG SER 52 4.655 8.410 12.266 410 H ASP 53 H ASP 53 8.494 8.205 9.139 411 HA ASP 53 HA ASP 53 7.988 9.847 6.741 412 1HB ASP 53 2HB ASP 53 10.635 8.766 7.750 413 2HB ASP 53 1HB ASP 53 10.401 9.496 6.166 414 H ASN 54 H ASN 54 6.737 7.387 7.492 415 HA ASN 54 HA ASN 54 7.384 5.773 5.188 416 1HB ASN 54 2HB ASN 54 8.943 4.930 6.944 417 2HB ASN 54 1HB ASN 54 7.554 4.567 7.963 418 1HD2 ASN 54 1HD2 ASN 54 9.333 3.697 5.113 419 2HD2 ASN 54 2HD2 ASN 54 8.591 2.147 4.882 420 HA PRO 55 HA PRO 55 2.958 5.326 5.517 421 1HB PRO 55 2HB PRO 55 3.196 3.218 3.505 422 2HB PRO 55 1HB PRO 55 2.438 4.805 3.374 423 1HG PRO 55 2HG PRO 55 4.724 4.189 2.080 424 2HG PRO 55 1HG PRO 55 4.377 5.824 2.676 425 1HD PRO 55 2HD PRO 55 6.112 3.698 3.880 426 2HD PRO 55 1HD PRO 55 6.410 5.444 3.730 427 H VAL 56 H VAL 56 3.987 4.153 7.620 428 HA VAL 56 HA VAL 56 4.010 1.384 7.860 429 HB VAL 56 HB VAL 56 3.395 1.840 10.288 430 1HG1 VAL 56 1HG1 VAL 56 5.750 3.272 9.066 431 2HG1 VAL 56 2HG1 VAL 56 5.690 1.573 9.535 432 3HG1 VAL 56 3HG1 VAL 56 5.593 2.832 10.767 433 1HG2 VAL 56 1HG2 VAL 56 3.617 4.690 9.341 434 2HG2 VAL 56 2HG2 VAL 56 3.550 4.174 11.025 435 3HG2 VAL 56 3HG2 VAL 56 2.167 3.907 9.964 436 H MET 57 H MET 57 1.324 3.559 7.771 437 HA MET 57 HA MET 57 -0.698 2.103 8.939 438 1HB MET 57 2HB MET 57 -0.845 3.896 6.517 439 2HB MET 57 1HB MET 57 -2.245 3.311 7.404 440 1HG MET 57 2HG MET 57 -0.058 5.054 8.513 441 2HG MET 57 1HG MET 57 -1.673 5.581 8.045 442 1HE MET 57 1HE MET 57 -3.428 3.112 9.039 443 2HE MET 57 2HE MET 57 -3.917 4.785 9.317 444 3HE MET 57 3HE MET 57 -3.896 3.638 10.657 445 H ILE 58 H ILE 58 0.713 1.655 5.742 446 HA ILE 58 HA ILE 58 -1.330 -0.115 4.816 447 HB ILE 58 HB ILE 58 1.461 0.423 3.790 448 1HG1 ILE 58 2HG1 ILE 58 0.093 1.322 1.825 449 2HG1 ILE 58 1HG1 ILE 58 -1.311 1.198 2.877 450 1HG2 ILE 58 1HG2 ILE 58 -0.632 -1.382 2.587 451 2HG2 ILE 58 2HG2 ILE 58 0.921 -1.878 3.258 452 3HG2 ILE 58 3HG2 ILE 58 0.866 -0.887 1.801 453 1HD1 ILE 58 1HD1 ILE 58 -0.271 2.762 4.437 454 2HD1 ILE 58 2HD1 ILE 58 -0.443 3.457 2.825 455 3HD1 ILE 58 3HD1 ILE 58 1.132 2.881 3.373 456 H ALA 59 H ALA 59 1.701 -0.502 6.536 457 HA ALA 59 HA ALA 59 1.816 -3.341 6.346 458 1HB ALA 59 1HB ALA 59 3.018 -1.536 8.448 459 2HB ALA 59 2HB ALA 59 3.781 -1.980 6.923 460 3HB ALA 59 3HB ALA 59 3.456 -3.215 8.139 461 H GLU 60 H GLU 60 0.283 -1.068 8.524 462 HA GLU 60 HA GLU 60 -0.679 -2.987 10.396 463 1HB GLU 60 2HB GLU 60 -0.514 -0.520 10.820 464 2HB GLU 60 1HB GLU 60 -1.843 -0.278 9.696 465 1HG GLU 60 2HG GLU 60 -2.785 -0.204 11.844 466 2HG GLU 60 1HG GLU 60 -3.218 -1.780 11.180 467 H LEU 61 H LEU 61 -2.013 -1.425 7.519 468 HA LEU 61 HA LEU 61 -4.573 -2.474 7.440 469 1HB LEU 61 2HB LEU 61 -3.467 -0.803 5.881 470 2HB LEU 61 1HB LEU 61 -2.789 -2.171 5.038 471 HG LEU 61 HG LEU 61 -5.080 -2.991 4.559 472 1HD1 LEU 61 1HD1 LEU 61 -6.975 -1.511 4.895 473 2HD1 LEU 61 2HD1 LEU 61 -5.934 -0.338 5.701 474 3HD1 LEU 61 3HD1 LEU 61 -6.220 -1.915 6.437 475 1HD2 LEU 61 1HD2 LEU 61 -4.462 -0.194 3.617 476 2HD2 LEU 61 2HD2 LEU 61 -5.592 -1.309 2.851 477 3HD2 LEU 61 3HD2 LEU 61 -3.871 -1.692 2.899 478 H LEU 62 H LEU 62 -1.561 -3.845 6.298 479 HA LEU 62 HA LEU 62 -2.366 -6.085 4.957 480 1HB LEU 62 2HB LEU 62 -0.043 -5.398 5.150 481 2HB LEU 62 1HB LEU 62 -0.032 -5.835 6.848 482 HG LEU 62 HG LEU 62 -0.391 -8.202 6.221 483 1HD1 LEU 62 1HD1 LEU 62 -1.529 -7.867 4.100 484 2HD1 LEU 62 2HD1 LEU 62 -0.100 -8.877 3.886 485 3HD1 LEU 62 3HD1 LEU 62 -0.061 -7.181 3.403 486 1HD2 LEU 62 1HD2 LEU 62 1.862 -8.584 5.341 487 2HD2 LEU 62 2HD2 LEU 62 1.857 -7.373 6.621 488 3HD2 LEU 62 3HD2 LEU 62 1.991 -6.873 4.933 489 H ARG 63 H ARG 63 -1.963 -5.845 8.503 490 HA ARG 63 HA ARG 63 -2.810 -8.596 8.830 491 1HB ARG 63 2HB ARG 63 -2.644 -8.084 11.285 492 2HB ARG 63 1HB ARG 63 -1.153 -7.878 10.378 493 1HG ARG 63 2HG ARG 63 -1.270 -5.552 10.492 494 2HG ARG 63 1HG ARG 63 -2.975 -5.569 10.936 495 1HD ARG 63 2HD ARG 63 -0.775 -6.668 12.673 496 2HD ARG 63 1HD ARG 63 -1.397 -5.022 12.801 497 HE ARG 63 HE ARG 63 -2.961 -7.464 13.326 498 1HH1 ARG 63 1HH1 ARG 63 -2.407 -4.026 13.720 499 2HH1 ARG 63 2HH1 ARG 63 -3.617 -3.854 14.962 500 1HH2 ARG 63 1HH2 ARG 63 -4.561 -7.229 14.945 501 2HH2 ARG 63 2HH2 ARG 63 -4.832 -5.670 15.665 502 H GLU 64 H GLU 64 -4.244 -5.455 8.906 503 HA GLU 64 HA GLU 64 -6.585 -6.232 10.380 504 1HB GLU 64 2HB GLU 64 -5.940 -3.779 8.737 505 2HB GLU 64 1HB GLU 64 -7.421 -3.987 9.658 506 1HG GLU 64 2HG GLU 64 -4.696 -4.124 10.909 507 2HG GLU 64 1HG GLU 64 -5.595 -2.617 10.740 508 H PHE 65 H PHE 65 -5.524 -6.727 7.238 509 HA PHE 65 HA PHE 65 -8.260 -6.881 6.171 510 1HB PHE 65 2HB PHE 65 -5.860 -5.875 5.062 511 2HB PHE 65 1HB PHE 65 -6.240 -7.349 4.178 512 HD1 PHE 65 1HD PHE 65 -6.755 -3.908 4.308 513 HD2 PHE 65 2HD PHE 65 -8.784 -7.551 3.466 514 HE1 PHE 65 1HE PHE 65 -8.409 -2.675 2.968 515 HE2 PHE 65 2HE PHE 65 -10.441 -6.324 2.129 516 HZ PHE 65 HZ PHE 65 -10.257 -3.885 1.878 517 HA PRO 66 HA PRO 66 -7.322 -11.325 6.470 518 1HB PRO 66 2HB PRO 66 -9.699 -12.121 7.371 519 2HB PRO 66 1HB PRO 66 -8.554 -11.307 8.444 520 1HG PRO 66 2HG PRO 66 -11.005 -10.238 7.126 521 2HG PRO 66 1HG PRO 66 -10.340 -9.874 8.727 522 1HD PRO 66 2HD PRO 66 -10.028 -8.329 6.403 523 2HD PRO 66 1HD PRO 66 -9.099 -8.160 7.904 524 H GLN 67 H GLN 67 -8.807 -9.471 4.341 525 HA GLN 67 HA GLN 67 -10.585 -11.402 3.106 526 1HB GLN 67 2HB GLN 67 -9.952 -8.508 2.627 527 2HB GLN 67 1HB GLN 67 -10.847 -9.432 1.435 528 1HG GLN 67 2HG GLN 67 -11.654 -9.015 4.304 529 2HG GLN 67 1HG GLN 67 -12.320 -8.166 2.907 530 1HE2 GLN 67 1HE2 GLN 67 -13.625 -9.317 1.445 531 2HE2 GLN 67 2HE2 GLN 67 -14.364 -10.822 1.864 532 H PHE 68 H PHE 68 -7.309 -10.364 2.746 533 HA PHE 68 HA PHE 68 -7.188 -11.720 0.143 534 1HB PHE 68 2HB PHE 68 -5.903 -9.054 0.767 535 2HB PHE 68 1HB PHE 68 -5.664 -9.976 -0.711 536 HD1 PHE 68 1HD PHE 68 -7.464 -7.380 0.772 537 HD2 PHE 68 2HD PHE 68 -7.899 -10.594 -1.989 538 HE1 PHE 68 1HE PHE 68 -9.399 -6.248 -0.238 539 HE2 PHE 68 2HE PHE 68 -9.838 -9.466 -3.000 540 HZ PHE 68 HZ PHE 68 -10.586 -7.289 -2.126 541 H ASP 69 H ASP 69 -5.118 -12.447 -0.486 542 HA ASP 69 HA ASP 69 -3.115 -12.666 1.674 543 1HB ASP 69 2HB ASP 69 -4.096 -14.600 -0.346 544 2HB ASP 69 1HB ASP 69 -2.348 -14.553 -0.148 545 H TRP 70 H TRP 70 -3.677 -10.566 -0.257 546 HA TRP 70 HA TRP 70 -2.202 -10.581 -2.572 547 1HB TRP 70 2HB TRP 70 -2.367 -8.086 -2.451 548 2HB TRP 70 1HB TRP 70 -3.887 -8.941 -2.248 549 HD1 TRP 70 HD TRP 70 -2.240 -9.198 1.006 550 HE1 TRP 70 1HE TRP 70 -3.078 -7.377 2.621 551 HE3 TRP 70 3HE TRP 70 -4.533 -6.123 -2.364 552 HZ2 TRP 70 2HZ TRP 70 -4.521 -4.955 2.482 553 HZ3 TRP 70 3HZ TRP 70 -5.623 -4.076 -1.541 554 HH2 TRP 70 HH TRP 70 -5.616 -3.507 0.831 555 H GLN 71 H GLN 71 -0.320 -9.579 -3.251 556 HA GLN 71 HA GLN 71 1.813 -9.447 -1.267 557 1HB GLN 71 2HB GLN 71 1.829 -9.361 -4.287 558 2HB GLN 71 1HB GLN 71 3.264 -9.048 -3.325 559 1HG GLN 71 2HG GLN 71 3.466 -11.274 -3.932 560 2HG GLN 71 1HG GLN 71 2.847 -11.346 -2.285 561 1HE2 GLN 71 1HE2 GLN 71 0.926 -10.552 -5.109 562 2HE2 GLN 71 2HE2 GLN 71 -0.059 -11.970 -5.067 563 H VAL 72 H VAL 72 2.326 -7.590 -0.345 564 HA VAL 72 HA VAL 72 1.240 -5.113 -1.389 565 HB VAL 72 HB VAL 72 2.944 -5.554 1.072 566 1HG1 VAL 72 1HG1 VAL 72 2.043 -3.395 1.798 567 2HG1 VAL 72 2HG1 VAL 72 1.189 -3.235 0.264 568 3HG1 VAL 72 3HG1 VAL 72 2.953 -3.241 0.295 569 1HG2 VAL 72 1HG2 VAL 72 0.889 -6.834 1.236 570 2HG2 VAL 72 2HG2 VAL 72 -0.056 -5.413 0.791 571 3HG2 VAL 72 3HG2 VAL 72 0.827 -5.442 2.317 572 H ALA 73 H ALA 73 2.311 -3.640 -2.524 573 HA ALA 73 HA ALA 73 5.242 -3.692 -2.525 574 1HB ALA 73 1HB ALA 73 3.513 -3.504 -4.989 575 2HB ALA 73 2HB ALA 73 4.488 -4.893 -4.507 576 3HB ALA 73 3HB ALA 73 5.271 -3.376 -4.943 577 H VAL 74 H VAL 74 6.197 -1.687 -3.303 578 HA VAL 74 HA VAL 74 4.432 0.650 -3.119 579 HB VAL 74 HB VAL 74 5.369 0.341 -0.881 580 1HG1 VAL 74 1HG1 VAL 74 8.075 0.509 -2.200 581 2HG1 VAL 74 2HG1 VAL 74 7.355 -0.940 -1.498 582 3HG1 VAL 74 3HG1 VAL 74 7.767 0.428 -0.464 583 1HG2 VAL 74 1HG2 VAL 74 5.040 2.623 -1.630 584 2HG2 VAL 74 2HG2 VAL 74 6.653 2.643 -2.346 585 3HG2 VAL 74 3HG2 VAL 74 6.466 2.522 -0.595 586 H ALA 75 H ALA 75 5.260 2.516 -4.232 587 HA ALA 75 HA ALA 75 6.987 1.780 -6.430 588 1HB ALA 75 1HB ALA 75 4.984 3.128 -6.835 589 2HB ALA 75 2HB ALA 75 6.449 3.964 -7.357 590 3HB ALA 75 3HB ALA 75 5.659 4.425 -5.848 591 H ASP 76 H ASP 76 8.675 3.400 -7.159 592 HA ASP 76 HA ASP 76 10.588 3.770 -5.028 593 1HB ASP 76 2HB ASP 76 11.145 2.879 -7.320 594 2HB ASP 76 1HB ASP 76 10.855 4.492 -7.958 595 H LEU 77 H LEU 77 8.109 5.418 -5.289 596 HA LEU 77 HA LEU 77 7.457 7.434 -4.515 597 1HB LEU 77 2HB LEU 77 9.517 7.510 -3.183 598 2HB LEU 77 1HB LEU 77 10.380 8.182 -4.551 599 HG LEU 77 HG LEU 77 8.917 10.182 -4.459 600 1HD1 LEU 77 1HD1 LEU 77 6.965 9.157 -3.425 601 2HD1 LEU 77 2HD1 LEU 77 7.521 10.541 -2.485 602 3HD1 LEU 77 3HD1 LEU 77 7.875 8.900 -1.935 603 1HD2 LEU 77 1HD2 LEU 77 11.104 10.135 -3.341 604 2HD2 LEU 77 2HD2 LEU 77 10.326 9.548 -1.868 605 3HD2 LEU 77 3HD2 LEU 77 9.945 11.153 -2.487 606 H GLU 78 H GLU 78 10.119 7.938 -6.834 607 HA GLU 78 HA GLU 78 8.743 10.203 -7.974 608 1HB GLU 78 2HB GLU 78 11.207 10.139 -7.855 609 2HB GLU 78 1HB GLU 78 11.206 8.784 -8.976 610 1HG GLU 78 2HG GLU 78 10.063 10.253 -10.633 611 2HG GLU 78 1HG GLU 78 10.303 11.598 -9.519 612 H GLN 79 H GLN 79 9.579 6.941 -9.007 613 HA GLN 79 HA GLN 79 8.543 6.919 -11.569 614 1HB GLN 79 2HB GLN 79 9.832 5.111 -10.223 615 2HB GLN 79 1HB GLN 79 8.237 4.566 -9.724 616 1HG GLN 79 2HG GLN 79 8.904 3.248 -11.572 617 2HG GLN 79 1HG GLN 79 7.648 4.348 -12.138 618 1HE2 GLN 79 1HE2 GLN 79 11.051 3.619 -12.183 619 2HE2 GLN 79 2HE2 GLN 79 11.447 4.598 -13.557 620 H SER 80 H SER 80 6.888 6.921 -8.543 621 HA SER 80 HA SER 80 4.435 5.830 -9.070 622 1HB SER 80 2HB SER 80 5.156 6.649 -6.880 623 2HB SER 80 1HB SER 80 5.082 8.309 -7.468 624 HG SER 80 HG SER 80 3.167 8.092 -6.555 625 H GLU 81 H GLU 81 5.661 9.003 -10.046 626 HA GLU 81 HA GLU 81 3.183 10.134 -10.737 627 1HB GLU 81 2HB GLU 81 5.329 11.388 -10.433 628 2HB GLU 81 1HB GLU 81 5.860 10.758 -11.985 629 1HG GLU 81 2HG GLU 81 4.112 11.921 -13.130 630 2HG GLU 81 1HG GLU 81 3.381 12.418 -11.606 631 H ALA 82 H ALA 82 5.552 8.331 -12.668 632 HA ALA 82 HA ALA 82 4.106 8.445 -15.098 633 1HB ALA 82 1HB ALA 82 6.089 6.363 -14.181 634 2HB ALA 82 2HB ALA 82 6.493 7.886 -14.976 635 3HB ALA 82 3HB ALA 82 5.571 6.655 -15.842 636 H ILE 83 H ILE 83 3.998 6.295 -12.332 637 HA ILE 83 HA ILE 83 2.344 4.298 -13.489 638 HB ILE 83 HB ILE 83 2.599 5.046 -10.569 639 1HG1 ILE 83 2HG1 ILE 83 4.080 2.936 -12.154 640 2HG1 ILE 83 1HG1 ILE 83 4.766 4.476 -11.640 641 1HG2 ILE 83 1HG2 ILE 83 1.575 2.548 -11.910 642 2HG2 ILE 83 2HG2 ILE 83 0.638 3.696 -10.957 643 3HG2 ILE 83 3HG2 ILE 83 1.876 2.708 -10.181 644 1HD1 ILE 83 1HD1 ILE 83 3.772 2.292 -9.822 645 2HD1 ILE 83 2HD1 ILE 83 4.468 3.829 -9.310 646 3HD1 ILE 83 3HD1 ILE 83 5.459 2.662 -10.183 647 H GLY 84 H GLY 84 1.634 7.077 -11.375 648 1HA GLY 84 2HA GLY 84 -1.173 6.771 -11.395 649 2HA GLY 84 1HA GLY 84 -0.311 8.260 -11.032 650 H ASP 85 H ASP 85 1.029 8.295 -13.615 651 HA ASP 85 HA ASP 85 -0.866 9.716 -15.172 652 1HB ASP 85 2HB ASP 85 1.528 10.187 -15.268 653 2HB ASP 85 1HB ASP 85 1.840 8.578 -15.894 654 H ARG 86 H ARG 86 0.474 6.499 -15.302 655 HA ARG 86 HA ARG 86 -0.336 5.547 -17.742 656 1HB ARG 86 2HB ARG 86 1.039 4.279 -16.188 657 2HB ARG 86 1HB ARG 86 -0.314 4.100 -15.091 658 1HG ARG 86 2HG ARG 86 -0.014 2.038 -16.235 659 2HG ARG 86 1HG ARG 86 -1.487 2.784 -16.846 660 1HD ARG 86 2HD ARG 86 1.167 3.062 -18.229 661 2HD ARG 86 1HD ARG 86 0.060 1.732 -18.558 662 HE ARG 86 HE ARG 86 -0.410 4.571 -19.156 663 1HH1 ARG 86 1HH1 ARG 86 -1.324 1.202 -19.483 664 2HH1 ARG 86 2HH1 ARG 86 -2.471 1.510 -20.754 665 1HH2 ARG 86 1HH2 ARG 86 -1.907 4.971 -20.831 666 2HH2 ARG 86 2HH2 ARG 86 -2.806 3.643 -21.512 667 H PHE 87 H PHE 87 -2.274 5.550 -14.751 668 HA PHE 87 HA PHE 87 -4.609 4.840 -16.392 669 1HB PHE 87 2HB PHE 87 -5.641 4.349 -14.052 670 2HB PHE 87 1HB PHE 87 -4.526 3.195 -14.769 671 HD1 PHE 87 1HD PHE 87 -4.537 6.124 -12.458 672 HD2 PHE 87 2HD PHE 87 -2.798 2.389 -13.506 673 HE1 PHE 87 1HE PHE 87 -3.148 6.208 -10.430 674 HE2 PHE 87 2HE PHE 87 -1.403 2.464 -11.481 675 HZ PHE 87 HZ PHE 87 -1.578 4.379 -9.939 676 H ASN 88 H ASN 88 -3.156 7.453 -15.177 677 HA ASN 88 HA ASN 88 -3.725 9.558 -14.588 678 1HB ASN 88 2HB ASN 88 -4.562 9.454 -16.917 679 2HB ASN 88 1HB ASN 88 -6.148 8.995 -16.306 680 1HD2 ASN 88 1HD2 ASN 88 -3.771 11.556 -16.473 681 2HD2 ASN 88 2HD2 ASN 88 -4.864 12.847 -16.090 682 H VAL 89 H VAL 89 -4.055 8.555 -12.394 683 HA VAL 89 HA VAL 89 -6.726 9.389 -11.475 684 HB VAL 89 HB VAL 89 -5.188 7.014 -10.391 685 1HG1 VAL 89 1HG1 VAL 89 -6.289 8.226 -8.593 686 2HG1 VAL 89 2HG1 VAL 89 -7.130 6.707 -8.905 687 3HG1 VAL 89 3HG1 VAL 89 -7.804 8.227 -9.496 688 1HG2 VAL 89 1HG2 VAL 89 -6.357 6.562 -12.499 689 2HG2 VAL 89 2HG2 VAL 89 -7.857 7.159 -11.792 690 3HG2 VAL 89 3HG2 VAL 89 -7.099 5.703 -11.148 691 H ARG 90 H ARG 90 -6.092 11.367 -10.820 692 HA ARG 90 HA ARG 90 -5.248 13.003 -9.498 693 1HB ARG 90 2HB ARG 90 -4.597 10.756 -7.582 694 2HB ARG 90 1HB ARG 90 -4.681 12.464 -7.183 695 1HG ARG 90 2HG ARG 90 -6.935 10.628 -7.935 696 2HG ARG 90 1HG ARG 90 -6.674 11.463 -6.405 697 1HD ARG 90 2HD ARG 90 -7.445 12.660 -9.060 698 2HD ARG 90 1HD ARG 90 -8.400 12.619 -7.581 699 HE ARG 90 HE ARG 90 -6.029 14.306 -8.057 700 1HH1 ARG 90 1HH1 ARG 90 -8.853 13.508 -6.140 701 2HH1 ARG 90 2HH1 ARG 90 -8.908 15.055 -5.346 702 1HH2 ARG 90 1HH2 ARG 90 -6.078 16.310 -7.005 703 2HH2 ARG 90 2HH2 ARG 90 -7.320 16.653 -5.837 704 H ARG 91 H ARG 91 -3.073 13.099 -7.767 705 HA ARG 91 HA ARG 91 -0.768 11.992 -9.137 706 1HB ARG 91 2HB ARG 91 -1.365 14.192 -10.274 707 2HB ARG 91 1HB ARG 91 -0.981 14.985 -8.751 708 1HG ARG 91 2HG ARG 91 1.306 14.055 -8.895 709 2HG ARG 91 1HG ARG 91 0.902 13.385 -10.476 710 1HD ARG 91 2HD ARG 91 0.498 15.615 -11.342 711 2HD ARG 91 1HD ARG 91 0.808 16.312 -9.752 712 HE ARG 91 HE ARG 91 2.994 14.737 -10.711 713 1HH1 ARG 91 1HH1 ARG 91 1.509 17.913 -10.897 714 2HH1 ARG 91 2HH1 ARG 91 2.999 18.703 -11.340 715 1HH2 ARG 91 1HH2 ARG 91 4.922 15.753 -11.255 716 2HH2 ARG 91 2HH2 ARG 91 4.944 17.475 -11.543 717 H PHE 92 H PHE 92 -2.019 11.647 -6.569 718 HA PHE 92 HA PHE 92 0.108 12.654 -4.811 719 1HB PHE 92 2HB PHE 92 -2.862 12.585 -4.228 720 2HB PHE 92 1HB PHE 92 -1.632 12.847 -2.999 721 HD1 PHE 92 1HD PHE 92 -0.219 14.886 -3.090 722 HD2 PHE 92 2HD PHE 92 -3.563 14.334 -5.661 723 HE1 PHE 92 1HE PHE 92 -0.233 17.298 -3.581 724 HE2 PHE 92 2HE PHE 92 -3.589 16.746 -6.155 725 HZ PHE 92 HZ PHE 92 -1.917 18.228 -5.115 726 HA PRO 93 HA PRO 93 0.736 8.523 -3.444 727 1HB PRO 93 2HB PRO 93 0.896 8.897 -0.702 728 2HB PRO 93 1HB PRO 93 2.225 9.130 -1.839 729 1HG PRO 93 2HG PRO 93 0.399 11.148 -0.617 730 2HG PRO 93 1HG PRO 93 2.137 11.262 -0.952 731 1HD PRO 93 2HD PRO 93 0.323 12.463 -2.521 732 2HD PRO 93 1HD PRO 93 1.801 11.741 -3.195 733 H ALA 94 H ALA 94 -0.798 7.042 -3.487 734 HA ALA 94 HA ALA 94 -2.826 6.989 -1.399 735 1HB ALA 94 1HB ALA 94 -3.509 6.877 -4.338 736 2HB ALA 94 2HB ALA 94 -3.920 8.181 -3.226 737 3HB ALA 94 3HB ALA 94 -4.635 6.581 -3.014 738 H THR 95 H THR 95 -4.122 4.846 -1.657 739 HA THR 95 HA THR 95 -2.193 2.748 -2.411 740 HB THR 95 HB THR 95 -4.365 2.604 -0.310 741 HG1 THR 95 1HG THR 95 -2.029 3.805 -0.197 742 1HG2 THR 95 1HG2 THR 95 -2.110 0.709 -0.980 743 2HG2 THR 95 2HG2 THR 95 -3.826 0.424 -1.268 744 3HG2 THR 95 3HG2 THR 95 -3.215 0.543 0.383 745 H LEU 96 H LEU 96 -2.790 1.703 -4.210 746 HA LEU 96 HA LEU 96 -5.644 1.581 -4.866 747 1HB LEU 96 2HB LEU 96 -3.230 1.226 -6.649 748 2HB LEU 96 1HB LEU 96 -4.893 1.100 -7.166 749 HG LEU 96 HG LEU 96 -5.088 3.546 -6.271 750 1HD1 LEU 96 1HD1 LEU 96 -3.011 4.823 -6.575 751 2HD1 LEU 96 2HD1 LEU 96 -2.124 3.308 -6.756 752 3HD1 LEU 96 3HD1 LEU 96 -2.917 3.688 -5.228 753 1HD2 LEU 96 1HD2 LEU 96 -3.643 2.865 -8.823 754 2HD2 LEU 96 2HD2 LEU 96 -4.459 4.390 -8.474 755 3HD2 LEU 96 3HD2 LEU 96 -5.392 2.897 -8.588 756 H VAL 97 H VAL 97 -6.674 -0.287 -4.853 757 HA VAL 97 HA VAL 97 -5.178 -2.680 -4.128 758 HB VAL 97 HB VAL 97 -8.163 -2.214 -4.296 759 1HG1 VAL 97 1HG1 VAL 97 -7.607 -4.574 -4.597 760 2HG1 VAL 97 2HG1 VAL 97 -8.382 -4.301 -3.037 761 3HG1 VAL 97 3HG1 VAL 97 -6.637 -4.542 -3.124 762 1HG2 VAL 97 1HG2 VAL 97 -6.344 -2.335 -1.892 763 2HG2 VAL 97 2HG2 VAL 97 -8.099 -2.146 -1.860 764 3HG2 VAL 97 3HG2 VAL 97 -7.086 -0.878 -2.556 765 H PHE 98 H PHE 98 -4.494 -4.025 -5.646 766 HA PHE 98 HA PHE 98 -6.044 -4.247 -8.147 767 1HB PHE 98 2HB PHE 98 -3.112 -4.832 -7.652 768 2HB PHE 98 1HB PHE 98 -3.954 -5.110 -9.167 769 HD1 PHE 98 1HD PHE 98 -3.022 -2.415 -6.783 770 HD2 PHE 98 2HD PHE 98 -4.018 -3.454 -10.785 771 HE1 PHE 98 1HE PHE 98 -2.409 -0.149 -7.521 772 HE2 PHE 98 2HE PHE 98 -3.406 -1.193 -11.524 773 HZ PHE 98 HZ PHE 98 -2.609 0.464 -9.898 774 H THR 99 H THR 99 -7.402 -5.925 -7.632 775 HA THR 99 HA THR 99 -6.107 -8.453 -6.920 776 HB THR 99 HB THR 99 -8.059 -9.011 -5.447 777 HG1 THR 99 1HG THR 99 -9.236 -7.141 -4.663 778 1HG2 THR 99 1HG2 THR 99 -5.909 -8.285 -4.499 779 2HG2 THR 99 2HG2 THR 99 -7.270 -7.745 -3.515 780 3HG2 THR 99 3HG2 THR 99 -6.446 -6.605 -4.582 781 H ASP 100 H ASP 100 -7.212 -10.324 -7.601 782 HA ASP 100 HA ASP 100 -8.390 -11.621 -9.053 783 1HB ASP 100 2HB ASP 100 -10.340 -10.219 -8.155 784 2HB ASP 100 1HB ASP 100 -10.190 -9.277 -9.622 785 H GLY 101 H GLY 101 -6.404 -9.355 -9.787 786 1HA GLY 101 2HA GLY 101 -5.257 -8.930 -11.767 787 2HA GLY 101 1HA GLY 101 -6.527 -9.758 -12.653 788 H LYS 102 H LYS 102 -8.050 -7.621 -10.614 789 HA LYS 102 HA LYS 102 -8.057 -5.540 -12.721 790 1HB LYS 102 2HB LYS 102 -10.246 -6.545 -10.935 791 2HB LYS 102 1HB LYS 102 -10.335 -4.953 -11.668 792 1HG LYS 102 2HG LYS 102 -10.002 -6.142 -13.897 793 2HG LYS 102 1HG LYS 102 -10.350 -7.632 -13.011 794 1HD LYS 102 2HD LYS 102 -12.488 -6.747 -12.298 795 2HD LYS 102 1HD LYS 102 -12.143 -5.207 -13.082 796 1HE LYS 102 2HE LYS 102 -12.012 -6.440 -15.254 797 2HE LYS 102 1HE LYS 102 -12.573 -7.878 -14.402 798 1HZ LYS 102 1HZ LYS 102 -14.424 -6.777 -15.436 799 2HZ LYS 102 2HZ LYS 102 -14.037 -5.310 -14.683 800 3HZ LYS 102 3HZ LYS 102 -14.571 -6.623 -13.749 801 H LEU 103 H LEU 103 -7.962 -3.401 -12.163 802 HA LEU 103 HA LEU 103 -7.089 -2.698 -9.510 803 1HB LEU 103 2HB LEU 103 -6.226 -1.429 -11.388 804 2HB LEU 103 1HB LEU 103 -7.849 -1.018 -11.907 805 HG LEU 103 HG LEU 103 -8.159 0.379 -9.932 806 1HD1 LEU 103 1HD1 LEU 103 -5.344 -0.417 -9.225 807 2HD1 LEU 103 2HD1 LEU 103 -6.808 -0.843 -8.341 808 3HD1 LEU 103 3HD1 LEU 103 -6.285 0.841 -8.423 809 1HD2 LEU 103 1HD2 LEU 103 -7.215 1.386 -11.935 810 2HD2 LEU 103 2HD2 LEU 103 -5.589 0.973 -11.388 811 3HD2 LEU 103 3HD2 LEU 103 -6.558 2.136 -10.483 812 H ARG 104 H ARG 104 -8.548 -2.928 -7.963 813 HA ARG 104 HA ARG 104 -11.361 -2.743 -8.472 814 1HB ARG 104 2HB ARG 104 -9.911 -2.979 -5.830 815 2HB ARG 104 1HB ARG 104 -11.615 -3.301 -6.114 816 1HG ARG 104 2HG ARG 104 -9.355 -4.826 -7.386 817 2HG ARG 104 1HG ARG 104 -10.230 -5.337 -5.942 818 1HD ARG 104 2HD ARG 104 -11.528 -4.816 -8.612 819 2HD ARG 104 1HD ARG 104 -11.008 -6.407 -8.057 820 HE ARG 104 HE ARG 104 -13.010 -4.807 -6.591 821 1HH1 ARG 104 1HH1 ARG 104 -11.950 -7.799 -8.059 822 2HH1 ARG 104 2HH1 ARG 104 -13.305 -8.722 -7.484 823 1HH2 ARG 104 1HH2 ARG 104 -14.815 -6.012 -5.848 824 2HH2 ARG 104 2HH2 ARG 104 -14.940 -7.704 -6.238 825 H GLY 105 H GLY 105 -8.918 -0.628 -7.186 826 1HA GLY 105 2HA GLY 105 -10.037 1.747 -7.665 827 2HA GLY 105 1HA GLY 105 -10.897 1.273 -6.207 828 H ALA 106 H ALA 106 -9.648 3.491 -5.892 829 HA ALA 106 HA ALA 106 -7.093 2.853 -4.575 830 1HB ALA 106 1HB ALA 106 -6.814 4.351 -6.505 831 2HB ALA 106 2HB ALA 106 -6.398 5.150 -4.989 832 3HB ALA 106 3HB ALA 106 -7.941 5.492 -5.772 833 H LEU 107 H LEU 107 -6.827 3.460 -2.491 834 HA LEU 107 HA LEU 107 -9.178 4.612 -1.160 835 1HB LEU 107 2HB LEU 107 -6.910 2.932 -0.093 836 2HB LEU 107 1HB LEU 107 -8.069 3.737 0.939 837 HG LEU 107 HG LEU 107 -8.718 1.470 0.769 838 1HD1 LEU 107 1HD1 LEU 107 -10.472 3.101 -1.053 839 2HD1 LEU 107 2HD1 LEU 107 -10.551 3.063 0.709 840 3HD1 LEU 107 3HD1 LEU 107 -10.942 1.616 -0.224 841 1HD2 LEU 107 1HD2 LEU 107 -8.652 1.752 -2.229 842 2HD2 LEU 107 2HD2 LEU 107 -9.135 0.316 -1.325 843 3HD2 LEU 107 3HD2 LEU 107 -7.467 0.885 -1.251 844 H SER 108 H SER 108 -9.064 6.578 -0.288 845 HA SER 108 HA SER 108 -6.501 7.967 -0.309 846 1HB SER 108 2HB SER 108 -8.191 9.921 0.308 847 2HB SER 108 1HB SER 108 -8.014 9.345 -1.350 848 HG SER 108 HG SER 108 -10.020 8.561 0.533 849 H GLY 109 H GLY 109 -8.019 6.095 1.826 850 1HA GLY 109 2HA GLY 109 -7.776 7.704 4.209 851 2HA GLY 109 1HA GLY 109 -8.143 5.986 4.140 852 H ILE 110 H ILE 110 -5.495 8.288 3.659 853 HA ILE 110 HA ILE 110 -3.462 6.303 3.713 854 HB ILE 110 HB ILE 110 -3.152 8.406 2.527 855 1HG1 ILE 110 2HG1 ILE 110 -1.193 8.158 4.823 856 2HG1 ILE 110 1HG1 ILE 110 -1.170 7.169 3.368 857 1HG2 ILE 110 1HG2 ILE 110 -3.193 9.698 5.253 858 2HG2 ILE 110 2HG2 ILE 110 -4.386 9.899 3.970 859 3HG2 ILE 110 3HG2 ILE 110 -2.746 10.504 3.749 860 1HD1 ILE 110 1HD1 ILE 110 -0.769 10.150 3.490 861 2HD1 ILE 110 2HD1 ILE 110 -0.756 9.171 2.024 862 3HD1 ILE 110 3HD1 ILE 110 0.485 8.936 3.255 863 H HIS 111 H HIS 111 -5.049 8.130 6.207 864 HA HIS 111 HA HIS 111 -3.425 6.763 8.194 865 1HB HIS 111 2HB HIS 111 -2.408 9.053 7.669 866 2HB HIS 111 1HB HIS 111 -3.824 9.739 8.454 867 HD1 HIS 111 1HD HIS 111 -1.143 10.365 9.652 868 HD2 HIS 111 2HD HIS 111 -3.361 7.013 10.759 869 HE1 HIS 111 1HE HIS 111 -0.311 9.709 11.947 870 HE2 HIS 111 2HE HIS 111 -1.579 7.610 12.542 871 HA PRO 112 HA PRO 112 -7.451 8.424 10.324 872 1HB PRO 112 2HB PRO 112 -9.049 9.541 8.124 873 2HB PRO 112 1HB PRO 112 -8.700 10.229 9.711 874 1HG PRO 112 2HG PRO 112 -7.621 11.232 7.466 875 2HG PRO 112 1HG PRO 112 -6.734 11.206 9.000 876 1HD PRO 112 2HD PRO 112 -6.495 9.372 6.646 877 2HD PRO 112 1HD PRO 112 -5.214 10.082 7.653 878 H TRP 113 H TRP 113 -8.665 6.685 10.711 879 HA TRP 113 HA TRP 113 -9.446 4.996 8.455 880 1HB TRP 113 2HB TRP 113 -8.149 4.117 10.498 881 2HB TRP 113 1HB TRP 113 -9.670 4.260 11.371 882 HD1 TRP 113 HD TRP 113 -11.802 2.877 9.939 883 HE1 TRP 113 1HE TRP 113 -11.674 0.460 9.058 884 HE3 TRP 113 3HE TRP 113 -6.722 2.350 9.737 885 HZ2 TRP 113 2HZ TRP 113 -9.683 -1.416 8.357 886 HZ3 TRP 113 3HZ TRP 113 -5.784 0.216 8.946 887 HH2 TRP 113 HH TRP 113 -7.232 -1.629 8.268 888 H ALA 114 H ALA 114 -11.278 6.006 7.706 889 HA ALA 114 HA ALA 114 -13.651 5.496 9.317 890 1HB ALA 114 1HB ALA 114 -13.113 7.839 9.784 891 2HB ALA 114 2HB ALA 114 -14.614 7.693 8.871 892 3HB ALA 114 3HB ALA 114 -13.131 8.188 8.056 893 H GLU 115 H GLU 115 -12.553 6.908 6.239 894 HA GLU 115 HA GLU 115 -14.915 6.242 4.822 895 1HB GLU 115 2HB GLU 115 -13.702 6.958 2.845 896 2HB GLU 115 1HB GLU 115 -13.376 8.063 4.173 897 1HG GLU 115 2HG GLU 115 -11.275 6.646 4.569 898 2HG GLU 115 1HG GLU 115 -11.572 6.015 2.951 899 H LEU 116 H LEU 116 -12.017 4.514 5.544 900 HA LEU 116 HA LEU 116 -11.851 2.697 3.469 901 1HB LEU 116 2HB LEU 116 -11.082 2.589 6.349 902 2HB LEU 116 1HB LEU 116 -10.964 1.133 5.378 903 HG LEU 116 HG LEU 116 -9.602 3.735 4.672 904 1HD1 LEU 116 1HD1 LEU 116 -7.546 2.699 5.457 905 2HD1 LEU 116 2HD1 LEU 116 -8.445 1.274 5.979 906 3HD1 LEU 116 3HD1 LEU 116 -8.717 2.827 6.770 907 1HD2 LEU 116 1HD2 LEU 116 -10.027 2.296 2.762 908 2HD2 LEU 116 2HD2 LEU 116 -9.311 0.923 3.607 909 3HD2 LEU 116 3HD2 LEU 116 -8.307 2.301 3.150 910 H LEU 117 H LEU 117 -13.994 2.653 6.261 911 HA LEU 117 HA LEU 117 -14.833 -0.039 5.967 912 1HB LEU 117 2HB LEU 117 -15.080 1.591 7.979 913 2HB LEU 117 1HB LEU 117 -16.534 2.129 7.170 914 HG LEU 117 HG LEU 117 -16.913 0.454 8.987 915 1HD1 LEU 117 1HD1 LEU 117 -17.750 -0.431 6.233 916 2HD1 LEU 117 2HD1 LEU 117 -18.567 0.776 7.224 917 3HD1 LEU 117 3HD1 LEU 117 -18.510 -0.906 7.752 918 1HD2 LEU 117 1HD2 LEU 117 -16.393 -1.894 8.532 919 2HD2 LEU 117 2HD2 LEU 117 -14.932 -0.914 8.643 920 3HD2 LEU 117 3HD2 LEU 117 -15.537 -1.419 7.066 921 H THR 118 H THR 118 -16.253 3.046 4.926 922 HA THR 118 HA THR 118 -18.508 1.838 3.684 923 HB THR 118 HB THR 118 -17.372 4.599 3.195 924 HG1 THR 118 1HG THR 118 -19.207 3.676 5.180 925 1HG2 THR 118 1HG2 THR 118 -19.690 5.183 2.640 926 2HG2 THR 118 2HG2 THR 118 -20.177 3.506 2.898 927 3HG2 THR 118 3HG2 THR 118 -19.080 3.914 1.578 928 H LEU 119 H LEU 119 -15.396 3.054 2.491 929 HA LEU 119 HA LEU 119 -15.980 2.709 -0.256 930 1HB LEU 119 2HB LEU 119 -13.345 2.812 1.206 931 2HB LEU 119 1HB LEU 119 -13.496 2.805 -0.539 932 HG LEU 119 HG LEU 119 -14.533 4.950 1.318 933 1HD1 LEU 119 1HD1 LEU 119 -12.242 4.927 -0.641 934 2HD1 LEU 119 2HD1 LEU 119 -12.118 4.983 1.116 935 3HD1 LEU 119 3HD1 LEU 119 -12.821 6.342 0.237 936 1HD2 LEU 119 1HD2 LEU 119 -14.575 4.792 -1.693 937 2HD2 LEU 119 2HD2 LEU 119 -15.073 6.176 -0.721 938 3HD2 LEU 119 3HD2 LEU 119 -15.978 4.666 -0.630 939 H MET 120 H MET 120 -14.458 0.626 2.155 940 HA MET 120 HA MET 120 -13.599 -1.447 0.516 941 1HB MET 120 2HB MET 120 -13.124 -1.217 2.951 942 2HB MET 120 1HB MET 120 -14.773 -1.720 3.288 943 1HG MET 120 2HG MET 120 -14.319 -3.870 2.189 944 2HG MET 120 1HG MET 120 -12.651 -3.361 1.929 945 1HE MET 120 1HE MET 120 -10.990 -2.737 3.993 946 2HE MET 120 2HE MET 120 -11.440 -2.951 5.685 947 3HE MET 120 3HE MET 120 -12.230 -1.711 4.715 948 H ARG 121 H ARG 121 -16.770 -0.840 1.925 949 HA ARG 121 HA ARG 121 -18.053 -3.220 1.316 950 1HB ARG 121 2HB ARG 121 -18.977 -1.337 2.706 951 2HB ARG 121 1HB ARG 121 -19.303 -0.468 1.211 952 1HG ARG 121 2HG ARG 121 -20.764 -2.311 0.484 953 2HG ARG 121 1HG ARG 121 -20.491 -3.106 2.036 954 1HD ARG 121 2HD ARG 121 -21.760 -0.404 1.606 955 2HD ARG 121 1HD ARG 121 -22.600 -1.892 2.038 956 HE ARG 121 HE ARG 121 -20.684 -0.487 3.790 957 1HH1 ARG 121 1HH1 ARG 121 -23.456 -2.567 3.331 958 2HH1 ARG 121 2HH1 ARG 121 -23.868 -2.619 5.020 959 1HH2 ARG 121 1HH2 ARG 121 -21.208 -0.548 6.020 960 2HH2 ARG 121 2HH2 ARG 121 -22.571 -1.476 6.559 961 H SER 122 H SER 122 -17.872 -0.259 -0.658 962 HA SER 122 HA SER 122 -19.323 -1.364 -2.819 963 1HB SER 122 2HB SER 122 -17.553 1.075 -2.800 964 2HB SER 122 1HB SER 122 -18.955 0.756 -3.804 965 HG SER 122 HG SER 122 -20.137 1.613 -2.307 966 H ILE 123 H ILE 123 -15.873 -0.720 -2.216 967 HA ILE 123 HA ILE 123 -15.052 -1.238 -4.883 968 HB ILE 123 HB ILE 123 -13.480 -1.117 -2.313 969 1HG1 ILE 123 2HG1 ILE 123 -13.767 0.822 -4.614 970 2HG1 ILE 123 1HG1 ILE 123 -14.552 0.975 -3.051 971 1HG2 ILE 123 1HG2 ILE 123 -11.466 -0.949 -3.715 972 2HG2 ILE 123 2HG2 ILE 123 -12.445 -1.300 -5.138 973 3HG2 ILE 123 3HG2 ILE 123 -12.261 -2.515 -3.874 974 1HD1 ILE 123 1HD1 ILE 123 -11.591 1.055 -3.549 975 2HD1 ILE 123 2HD1 ILE 123 -12.372 1.191 -1.974 976 3HD1 ILE 123 3HD1 ILE 123 -12.633 2.433 -3.200 977 H VAL 124 H VAL 124 -14.862 -3.230 -1.915 978 HA VAL 124 HA VAL 124 -14.302 -5.514 -3.689 979 HB VAL 124 HB VAL 124 -13.215 -6.628 -1.730 980 1HG1 VAL 124 1HG1 VAL 124 -11.985 -4.017 -2.608 981 2HG1 VAL 124 2HG1 VAL 124 -11.916 -5.539 -3.496 982 3HG1 VAL 124 3HG1 VAL 124 -11.119 -5.395 -1.929 983 1HG2 VAL 124 1HG2 VAL 124 -13.344 -3.874 -0.506 984 2HG2 VAL 124 2HG2 VAL 124 -12.474 -5.263 0.150 985 3HG2 VAL 124 3HG2 VAL 124 -14.236 -5.288 0.053 986 H ASP 125 H ASP 125 -16.867 -4.692 -3.302 987 HA ASP 125 HA ASP 125 -18.408 -5.982 -1.410 988 1HB ASP 125 2HB ASP 125 -19.482 -4.551 -2.976 989 2HB ASP 125 1HB ASP 125 -18.865 -5.467 -4.346 990 H THR 126 H THR 126 -17.515 -7.283 -4.599 991 HA THR 126 HA THR 126 -17.570 -9.964 -3.393 992 HB THR 126 HB THR 126 -18.183 -9.267 -6.275 993 HG1 THR 126 1HG THR 126 -19.816 -8.749 -4.549 994 1HG2 THR 126 1HG2 THR 126 -17.148 -11.477 -5.987 995 2HG2 THR 126 2HG2 THR 126 -18.832 -11.606 -6.489 996 3HG2 THR 126 3HG2 THR 126 -18.391 -11.899 -4.808 997 HA PRO 127 HA PRO 127 -13.383 -9.956 -5.110 998 1HB PRO 127 2HB PRO 127 -12.118 -10.421 -2.711 999 2HB PRO 127 1HB PRO 127 -12.384 -8.817 -3.394 1000 1HG PRO 127 2HG PRO 127 -13.562 -9.963 -1.034 1001 2HG PRO 127 1HG PRO 127 -13.790 -8.336 -1.690 1002 1HD PRO 127 2HD PRO 127 -15.509 -10.727 -1.955 1003 2HD PRO 127 1HD PRO 127 -15.929 -9.008 -2.121 1004 H ALA 128 H ALA 128 -13.413 -11.815 -2.144 1005 HA ALA 128 HA ALA 128 -14.249 -14.257 -3.483 1006 1HB ALA 128 1HB ALA 128 -12.389 -15.551 -2.551 1007 2HB ALA 128 2HB ALA 128 -11.678 -14.076 -1.898 1008 3HB ALA 128 3HB ALA 128 -11.798 -14.300 -3.643 1009 H ALA 129 H ALA 129 -16.118 -13.765 -2.253 1010 HA ALA 129 HA ALA 129 -17.558 -13.962 -0.525 1011 1HB ALA 129 1HB ALA 129 -16.979 -15.228 1.462 1012 2HB ALA 129 2HB ALA 129 -15.275 -15.196 1.011 1013 3HB ALA 129 3HB ALA 129 -16.434 -16.073 0.013 1014 H GLN 130 H GLN 130 -18.110 -12.992 1.546 1015 HA GLN 130 HA GLN 130 -16.221 -11.032 2.608 1016 1HB GLN 130 2HB GLN 130 -17.478 -9.897 0.765 1017 2HB GLN 130 1HB GLN 130 -18.969 -10.218 1.635 1018 1HG GLN 130 2HG GLN 130 -18.033 -8.896 3.546 1019 2HG GLN 130 1HG GLN 130 -16.691 -8.450 2.492 1020 1HE2 GLN 130 1HE2 GLN 130 -17.081 -7.078 0.726 1021 2HE2 GLN 130 2HE2 GLN 130 -18.512 -6.115 0.633 1022 H GLU 131 H GLU 131 -16.213 -11.821 4.662 1023 HA GLU 131 HA GLU 131 -18.768 -11.910 6.086 1024 1HB GLU 131 2HB GLU 131 -18.333 -14.199 5.280 1025 2HB GLU 131 1HB GLU 131 -16.766 -14.180 6.076 1026 1HG GLU 131 2HG GLU 131 -17.921 -13.913 8.245 1027 2HG GLU 131 1HG GLU 131 -19.463 -14.075 7.405 1028 H THR 132 H THR 132 -18.625 -11.509 8.287 1029 HA THR 132 HA THR 132 -17.755 -11.132 10.357 1030 HB THR 132 HB THR 132 -15.032 -11.774 9.203 1031 HG1 THR 132 1HG THR 132 -15.542 -13.838 9.427 1032 1HG2 THR 132 1HG2 THR 132 -14.952 -10.623 11.363 1033 2HG2 THR 132 2HG2 THR 132 -14.454 -12.306 11.528 1034 3HG2 THR 132 3HG2 THR 132 -16.065 -11.808 12.045 1035 H VAL 133 H VAL 133 -16.358 -9.605 7.568 1036 HA VAL 133 HA VAL 133 -14.887 -7.576 8.829 1037 HB VAL 133 HB VAL 133 -14.629 -8.158 6.454 1038 1HG1 VAL 133 1HG1 VAL 133 -16.216 -7.325 4.788 1039 2HG1 VAL 133 2HG1 VAL 133 -17.290 -6.795 6.084 1040 3HG1 VAL 133 3HG1 VAL 133 -16.953 -8.512 5.863 1041 1HG2 VAL 133 1HG2 VAL 133 -13.804 -6.005 7.239 1042 2HG2 VAL 133 2HG2 VAL 133 -15.373 -5.270 6.910 1043 3HG2 VAL 133 3HG2 VAL 133 -14.389 -5.882 5.580 1044 H GLN 134 H GLN 134 -18.310 -7.907 8.302 1045 HA GLN 134 HA GLN 134 -18.811 -5.087 8.741 1046 1HB GLN 134 2HB GLN 134 -20.187 -6.405 7.140 1047 2HB GLN 134 1HB GLN 134 -20.794 -7.352 8.491 1048 1HG GLN 134 2HG GLN 134 -21.825 -5.413 9.458 1049 2HG GLN 134 1HG GLN 134 -21.116 -4.375 8.222 1050 1HE2 GLN 134 1HE2 GLN 134 -21.943 -4.437 6.129 1051 2HE2 GLN 134 2HE2 GLN 134 -23.492 -5.127 5.769 Start of MODEL 3 1 1H MET 1 1HT MET 1 29.032 -1.660 -5.564 2 2H MET 1 2HT MET 1 29.028 -1.257 -7.211 3 3H MET 1 3HT MET 1 28.221 -2.645 -6.680 4 HA MET 1 HA MET 1 27.510 0.119 -5.898 5 1HB MET 1 2HB MET 1 27.056 -1.120 -8.355 6 2HB MET 1 1HB MET 1 25.550 -1.347 -7.479 7 1HG MET 1 2HG MET 1 26.920 1.293 -7.942 8 2HG MET 1 1HG MET 1 25.538 0.682 -8.849 9 1HE MET 1 1HE MET 1 24.135 3.652 -6.640 10 2HE MET 1 2HE MET 1 24.371 3.062 -8.288 11 3HE MET 1 3HE MET 1 25.763 3.533 -7.310 12 H ALA 2 H ALA 2 24.899 -0.204 -5.483 13 HA ALA 2 HA ALA 2 23.412 -0.786 -3.884 14 1HB ALA 2 1HB ALA 2 24.696 -3.514 -4.040 15 2HB ALA 2 2HB ALA 2 23.367 -2.944 -5.047 16 3HB ALA 2 3HB ALA 2 23.134 -3.139 -3.312 17 H ASN 3 H ASN 3 24.454 0.681 -2.504 18 HA ASN 3 HA ASN 3 25.764 -0.577 -0.211 19 1HB ASN 3 2HB ASN 3 27.421 1.272 -0.134 20 2HB ASN 3 1HB ASN 3 27.587 0.285 -1.579 21 1HD2 ASN 3 1HD2 ASN 3 26.810 3.401 -0.318 22 2HD2 ASN 3 2HD2 ASN 3 26.690 4.221 -1.837 23 H ASP 4 H ASP 4 26.258 1.874 1.145 24 HA ASP 4 HA ASP 4 23.834 2.300 2.428 25 1HB ASP 4 2HB ASP 4 25.997 2.910 3.421 26 2HB ASP 4 1HB ASP 4 26.177 4.205 2.242 27 H THR 5 H THR 5 22.030 3.083 1.600 28 HA THR 5 HA THR 5 22.222 5.281 -0.351 29 HB THR 5 HB THR 5 19.833 3.481 0.075 30 HG1 THR 5 1HG THR 5 22.130 2.667 -0.800 31 1HG2 THR 5 1HG2 THR 5 19.260 4.215 -2.212 32 2HG2 THR 5 2HG2 THR 5 20.686 5.252 -2.224 33 3HG2 THR 5 3HG2 THR 5 19.371 5.572 -1.094 34 HA PRO 6 HA PRO 6 20.441 7.814 2.917 35 1HB PRO 6 2HB PRO 6 20.102 9.736 0.702 36 2HB PRO 6 1HB PRO 6 20.980 9.921 2.222 37 1HG PRO 6 2HG PRO 6 22.274 9.656 -0.111 38 2HG PRO 6 1HG PRO 6 22.903 8.942 1.386 39 1HD PRO 6 2HD PRO 6 21.445 7.629 -0.872 40 2HD PRO 6 1HD PRO 6 22.840 7.043 0.058 41 H PHE 7 H PHE 7 18.369 8.229 3.531 42 HA PHE 7 HA PHE 7 16.094 8.227 3.548 43 1HB PHE 7 2HB PHE 7 16.368 9.953 1.772 44 2HB PHE 7 1HB PHE 7 16.336 8.681 0.560 45 HD1 PHE 7 1HD PHE 7 14.374 8.524 -0.600 46 HD2 PHE 7 2HD PHE 7 14.246 9.686 3.495 47 HE1 PHE 7 1HE PHE 7 11.925 8.707 -0.733 48 HE2 PHE 7 2HE PHE 7 11.797 9.867 3.369 49 HZ PHE 7 HZ PHE 7 10.633 9.380 1.256 50 H SER 8 H SER 8 17.601 5.788 3.252 51 HA SER 8 HA SER 8 15.410 4.074 2.420 52 1HB SER 8 2HB SER 8 18.200 3.745 1.276 53 2HB SER 8 1HB SER 8 16.845 2.645 1.020 54 HG SER 8 HG SER 8 16.001 5.067 0.398 55 H ALA 9 H ALA 9 16.324 4.658 4.999 56 HA ALA 9 HA ALA 9 18.081 2.531 5.872 57 1HB ALA 9 1HB ALA 9 18.136 4.720 6.972 58 2HB ALA 9 2HB ALA 9 17.730 3.435 8.108 59 3HB ALA 9 3HB ALA 9 16.466 4.499 7.491 60 H LEU 10 H LEU 10 14.708 3.447 6.615 61 HA LEU 10 HA LEU 10 14.104 0.813 7.625 62 1HB LEU 10 2HB LEU 10 13.042 3.243 8.098 63 2HB LEU 10 1HB LEU 10 11.919 2.676 6.879 64 HG LEU 10 HG LEU 10 11.124 2.266 9.184 65 1HD1 LEU 10 1HD1 LEU 10 11.730 -0.253 7.652 66 2HD1 LEU 10 2HD1 LEU 10 10.349 0.812 7.399 67 3HD1 LEU 10 3HD1 LEU 10 10.513 -0.076 8.914 68 1HD2 LEU 10 1HD2 LEU 10 12.214 0.560 10.557 69 2HD2 LEU 10 2HD2 LEU 10 13.273 1.939 10.264 70 3HD2 LEU 10 3HD2 LEU 10 13.512 0.438 9.370 71 H TRP 11 H TRP 11 13.757 2.605 4.660 72 HA TRP 11 HA TRP 11 12.067 0.966 3.174 73 1HB TRP 11 2HB TRP 11 13.554 3.180 2.663 74 2HB TRP 11 1HB TRP 11 14.482 1.966 1.789 75 HD1 TRP 11 HD TRP 11 11.427 4.095 1.507 76 HE1 TRP 11 1HE TRP 11 10.162 3.541 -0.668 77 HE3 TRP 11 3HE TRP 11 13.903 -0.170 0.213 78 HZ2 TRP 11 2HZ TRP 11 10.219 1.532 -2.675 79 HZ3 TRP 11 3HZ TRP 11 13.241 -1.346 -1.827 80 HH2 TRP 11 HH TRP 11 11.439 -0.516 -3.248 81 H GLN 12 H GLN 12 15.516 0.615 3.858 82 HA GLN 12 HA GLN 12 15.911 -1.711 2.273 83 1HB GLN 12 2HB GLN 12 17.775 -0.280 2.964 84 2HB GLN 12 1HB GLN 12 17.471 -0.682 4.649 85 1HG GLN 12 2HG GLN 12 17.968 -3.051 4.118 86 2HG GLN 12 1HG GLN 12 18.408 -2.548 2.486 87 1HE2 GLN 12 1HE2 GLN 12 20.298 -1.362 2.168 88 2HE2 GLN 12 2HE2 GLN 12 21.522 -1.251 3.380 89 H ARG 13 H ARG 13 14.900 -1.154 5.575 90 HA ARG 13 HA ARG 13 15.206 -3.784 6.554 91 1HB ARG 13 2HB ARG 13 13.324 -1.579 7.421 92 2HB ARG 13 1HB ARG 13 13.587 -3.071 8.312 93 1HG ARG 13 2HG ARG 13 15.746 -1.071 7.675 94 2HG ARG 13 1HG ARG 13 14.854 -1.137 9.196 95 1HD ARG 13 2HD ARG 13 16.510 -3.389 8.061 96 2HD ARG 13 1HD ARG 13 17.052 -2.266 9.310 97 HE ARG 13 HE ARG 13 14.607 -3.771 9.845 98 1HH1 ARG 13 1HH1 ARG 13 18.053 -3.409 10.381 99 2HH1 ARG 13 2HH1 ARG 13 18.051 -4.381 11.827 100 1HH2 ARG 13 1HH2 ARG 13 14.603 -5.055 11.711 101 2HH2 ARG 13 2HH2 ARG 13 16.087 -5.355 12.569 102 H LEU 14 H LEU 14 12.722 -2.262 4.635 103 HA LEU 14 HA LEU 14 10.677 -4.172 5.002 104 1HB LEU 14 2HB LEU 14 11.288 -2.468 2.582 105 2HB LEU 14 1HB LEU 14 9.790 -3.332 2.859 106 HG LEU 14 HG LEU 14 10.836 -1.060 4.549 107 1HD1 LEU 14 1HD1 LEU 14 10.093 -0.325 2.351 108 2HD1 LEU 14 2HD1 LEU 14 8.962 0.194 3.599 109 3HD1 LEU 14 3HD1 LEU 14 8.566 -1.180 2.569 110 1HD2 LEU 14 1HD2 LEU 14 9.538 -2.674 5.849 111 2HD2 LEU 14 2HD2 LEU 14 8.226 -2.564 4.676 112 3HD2 LEU 14 3HD2 LEU 14 8.661 -1.157 5.646 113 H LEU 15 H LEU 15 13.463 -4.026 2.871 114 HA LEU 15 HA LEU 15 12.789 -6.175 1.177 115 1HB LEU 15 2HB LEU 15 15.334 -4.756 1.835 116 2HB LEU 15 1HB LEU 15 15.396 -6.244 0.907 117 HG LEU 15 HG LEU 15 13.886 -5.206 -0.775 118 1HD1 LEU 15 1HD1 LEU 15 12.790 -3.565 0.634 119 2HD1 LEU 15 2HD1 LEU 15 13.568 -2.782 -0.741 120 3HD1 LEU 15 3HD1 LEU 15 14.318 -2.711 0.854 121 1HD2 LEU 15 1HD2 LEU 15 16.284 -5.222 -1.128 122 2HD2 LEU 15 2HD2 LEU 15 16.450 -3.732 -0.201 123 3HD2 LEU 15 3HD2 LEU 15 15.585 -3.721 -1.739 124 H THR 16 H THR 16 14.122 -6.072 4.368 125 HA THR 16 HA THR 16 15.201 -8.678 4.482 126 HB THR 16 HB THR 16 13.912 -7.162 6.763 127 HG1 THR 16 1HG THR 16 16.424 -6.872 5.482 128 1HG2 THR 16 1HG2 THR 16 15.550 -8.362 8.139 129 2HG2 THR 16 2HG2 THR 16 16.139 -9.205 6.708 130 3HG2 THR 16 3HG2 THR 16 14.494 -9.483 7.282 131 H ARG 17 H ARG 17 11.975 -7.444 4.521 132 HA ARG 17 HA ARG 17 10.869 -10.092 5.179 133 1HB ARG 17 2HB ARG 17 9.647 -7.326 5.263 134 2HB ARG 17 1HB ARG 17 8.709 -8.800 5.459 135 1HG ARG 17 2HG ARG 17 11.060 -8.235 7.224 136 2HG ARG 17 1HG ARG 17 9.483 -7.518 7.552 137 1HD ARG 17 2HD ARG 17 9.839 -9.594 8.816 138 2HD ARG 17 1HD ARG 17 8.479 -9.718 7.704 139 HE ARG 17 HE ARG 17 9.727 -11.199 6.364 140 1HH1 ARG 17 1HH1 ARG 17 11.454 -10.208 9.244 141 2HH1 ARG 17 2HH1 ARG 17 12.634 -11.479 9.132 142 1HH2 ARG 17 1HH2 ARG 17 11.247 -12.892 6.228 143 2HH2 ARG 17 2HH2 ARG 17 12.490 -13.034 7.435 144 H GLY 18 H GLY 18 8.347 -8.758 3.861 145 1HA GLY 18 2HA GLY 18 8.870 -9.784 1.192 146 2HA GLY 18 1HA GLY 18 7.317 -9.243 1.819 147 H TRP 19 H TRP 19 6.585 -7.570 0.702 148 HA TRP 19 HA TRP 19 6.415 -5.579 -0.362 149 1HB TRP 19 2HB TRP 19 8.982 -5.000 1.104 150 2HB TRP 19 1HB TRP 19 8.118 -3.808 0.148 151 HD1 TRP 19 HD TRP 19 7.575 -5.976 3.320 152 HE1 TRP 19 1HE TRP 19 5.922 -4.735 4.851 153 HE3 TRP 19 3HE TRP 19 6.431 -2.045 0.255 154 HZ2 TRP 19 2HZ TRP 19 4.346 -2.394 4.775 155 HZ3 TRP 19 3HZ TRP 19 4.843 -0.347 1.063 156 HH2 TRP 19 HH TRP 19 3.822 -0.519 3.277 157 H GLN 20 H GLN 20 6.549 -5.621 -2.463 158 HA GLN 20 HA GLN 20 9.129 -6.242 -3.736 159 1HB GLN 20 2HB GLN 20 6.927 -7.640 -4.081 160 2HB GLN 20 1HB GLN 20 6.497 -6.338 -5.175 161 1HG GLN 20 2HG GLN 20 8.974 -8.035 -5.396 162 2HG GLN 20 1HG GLN 20 7.486 -8.293 -6.302 163 1HE2 GLN 20 1HE2 GLN 20 10.378 -6.444 -6.011 164 2HE2 GLN 20 2HE2 GLN 20 10.175 -5.502 -7.454 165 HA PRO 21 HA PRO 21 8.960 -1.829 -4.873 166 1HB PRO 21 2HB PRO 21 11.598 -2.614 -5.984 167 2HB PRO 21 1HB PRO 21 11.180 -1.262 -4.928 168 1HG PRO 21 2HG PRO 21 12.491 -3.365 -3.971 169 2HG PRO 21 1HG PRO 21 11.223 -2.579 -3.011 170 1HD PRO 21 2HD PRO 21 11.087 -5.111 -4.613 171 2HD PRO 21 1HD PRO 21 10.429 -4.766 -2.998 172 H VAL 22 H VAL 22 7.653 -1.537 -6.562 173 HA VAL 22 HA VAL 22 8.060 -3.142 -8.975 174 HB VAL 22 HB VAL 22 5.771 -2.311 -9.614 175 1HG1 VAL 22 1HG1 VAL 22 6.034 -3.861 -7.043 176 2HG1 VAL 22 2HG1 VAL 22 6.123 -4.519 -8.677 177 3HG1 VAL 22 3HG1 VAL 22 4.610 -3.832 -8.085 178 1HG2 VAL 22 1HG2 VAL 22 4.361 -1.403 -7.814 179 2HG2 VAL 22 2HG2 VAL 22 5.688 -0.317 -8.227 180 3HG2 VAL 22 3HG2 VAL 22 5.778 -1.305 -6.767 181 H GLU 23 H GLU 23 6.806 -1.680 -10.862 182 HA GLU 23 HA GLU 23 8.330 0.799 -11.154 183 1HB GLU 23 2HB GLU 23 8.504 -1.448 -13.178 184 2HB GLU 23 1HB GLU 23 9.296 0.113 -13.278 185 1HG GLU 23 2HG GLU 23 10.810 -0.447 -11.543 186 2HG GLU 23 1HG GLU 23 9.891 -1.898 -11.129 187 H ALA 24 H ALA 24 7.673 1.947 -13.165 188 HA ALA 24 HA ALA 24 4.917 1.457 -13.907 189 1HB ALA 24 1HB ALA 24 5.766 3.755 -13.712 190 2HB ALA 24 2HB ALA 24 5.163 3.418 -15.334 191 3HB ALA 24 3HB ALA 24 6.900 3.442 -15.028 192 H SER 25 H SER 25 8.076 0.689 -14.989 193 HA SER 25 HA SER 25 7.509 0.131 -17.710 194 1HB SER 25 2HB SER 25 9.731 -1.050 -16.035 195 2HB SER 25 1HB SER 25 9.723 -0.781 -17.781 196 HG SER 25 HG SER 25 10.743 0.814 -16.097 197 H THR 26 H THR 26 7.042 -1.612 -14.761 198 HA THR 26 HA THR 26 6.325 -4.013 -16.307 199 HB THR 26 HB THR 26 6.991 -5.293 -14.188 200 HG1 THR 26 1HG THR 26 8.956 -3.669 -13.444 201 1HG2 THR 26 1HG2 THR 26 9.160 -3.957 -15.813 202 2HG2 THR 26 2HG2 THR 26 8.259 -5.397 -16.286 203 3HG2 THR 26 3HG2 THR 26 9.327 -5.447 -14.883 204 H VAL 27 H VAL 27 4.816 -1.646 -15.010 205 HA VAL 27 HA VAL 27 3.436 -2.672 -12.767 206 HB VAL 27 HB VAL 27 3.537 -0.262 -13.223 207 1HG1 VAL 27 1HG1 VAL 27 1.658 -0.835 -15.508 208 2HG1 VAL 27 2HG1 VAL 27 3.324 -0.272 -15.637 209 3HG1 VAL 27 3HG1 VAL 27 2.096 0.768 -14.914 210 1HG2 VAL 27 1HG2 VAL 27 0.737 -1.368 -13.122 211 2HG2 VAL 27 2HG2 VAL 27 1.197 0.282 -12.706 212 3HG2 VAL 27 3HG2 VAL 27 1.806 -1.069 -11.751 213 H ASP 28 H ASP 28 2.710 -2.708 -16.228 214 HA ASP 28 HA ASP 28 0.109 -3.842 -15.952 215 1HB ASP 28 2HB ASP 28 2.014 -3.842 -18.309 216 2HB ASP 28 1HB ASP 28 0.343 -4.386 -18.382 217 H ASP 29 H ASP 29 3.324 -5.110 -16.062 218 HA ASP 29 HA ASP 29 2.544 -7.813 -16.659 219 1HB ASP 29 2HB ASP 29 4.739 -6.963 -17.342 220 2HB ASP 29 1HB ASP 29 5.169 -6.689 -15.658 221 H TRP 30 H TRP 30 3.582 -6.023 -13.784 222 HA TRP 30 HA TRP 30 3.713 -8.179 -12.004 223 1HB TRP 30 2HB TRP 30 4.584 -5.851 -11.605 224 2HB TRP 30 1HB TRP 30 2.927 -5.345 -11.294 225 HD1 TRP 30 HD TRP 30 5.727 -7.500 -9.790 226 HE1 TRP 30 1HE TRP 30 5.241 -7.856 -7.291 227 HE3 TRP 30 3HE TRP 30 1.074 -5.385 -9.558 228 HZ2 TRP 30 2HZ TRP 30 3.159 -7.309 -5.460 229 HZ3 TRP 30 3HZ TRP 30 -0.095 -5.347 -7.396 230 HH2 TRP 30 HH TRP 30 0.925 -6.289 -5.390 231 H ILE 31 H ILE 31 1.043 -5.902 -12.610 232 HA ILE 31 HA ILE 31 -0.797 -6.968 -10.797 233 HB ILE 31 HB ILE 31 -1.403 -5.669 -13.463 234 1HG1 ILE 31 2HG1 ILE 31 -1.240 -4.360 -10.746 235 2HG1 ILE 31 1HG1 ILE 31 0.101 -4.377 -11.888 236 1HG2 ILE 31 1HG2 ILE 31 -3.534 -5.041 -12.429 237 2HG2 ILE 31 2HG2 ILE 31 -3.096 -5.952 -10.983 238 3HG2 ILE 31 3HG2 ILE 31 -3.342 -6.793 -12.513 239 1HD1 ILE 31 1HD1 ILE 31 -1.299 -3.191 -13.517 240 2HD1 ILE 31 2HD1 ILE 31 -1.089 -2.284 -12.021 241 3HD1 ILE 31 3HD1 ILE 31 -2.602 -3.134 -12.332 242 H LYS 32 H LYS 32 -0.088 -7.825 -14.124 243 HA LYS 32 HA LYS 32 -2.190 -9.648 -14.526 244 1HB LYS 32 2HB LYS 32 -1.103 -8.787 -16.436 245 2HB LYS 32 1HB LYS 32 0.485 -9.217 -15.832 246 1HG LYS 32 2HG LYS 32 -1.370 -11.461 -16.313 247 2HG LYS 32 1HG LYS 32 -0.807 -10.585 -17.738 248 1HD LYS 32 2HD LYS 32 0.967 -11.793 -15.611 249 2HD LYS 32 1HD LYS 32 0.643 -12.501 -17.195 250 1HE LYS 32 2HE LYS 32 1.652 -10.568 -18.283 251 2HE LYS 32 1HE LYS 32 1.932 -9.811 -16.718 252 1HZ LYS 32 1HZ LYS 32 3.378 -11.723 -16.158 253 2HZ LYS 32 2HZ LYS 32 3.949 -10.805 -17.462 254 3HZ LYS 32 3HZ LYS 32 3.191 -12.299 -17.745 255 H ARG 33 H ARG 33 1.004 -10.020 -13.097 256 HA ARG 33 HA ARG 33 0.884 -12.900 -13.148 257 1HB ARG 33 2HB ARG 33 2.972 -11.306 -13.123 258 2HB ARG 33 1HB ARG 33 2.761 -11.386 -11.382 259 1HG ARG 33 2HG ARG 33 2.887 -13.847 -11.508 260 2HG ARG 33 1HG ARG 33 3.212 -13.712 -13.238 261 1HD ARG 33 2HD ARG 33 5.160 -12.198 -12.558 262 2HD ARG 33 1HD ARG 33 4.917 -12.833 -10.930 263 HE ARG 33 HE ARG 33 5.263 -14.758 -13.098 264 1HH1 ARG 33 1HH1 ARG 33 6.570 -13.190 -10.257 265 2HH1 ARG 33 2HH1 ARG 33 7.959 -14.234 -10.162 266 1HH2 ARG 33 1HH2 ARG 33 7.060 -16.129 -12.988 267 2HH2 ARG 33 2HH2 ARG 33 8.240 -15.915 -11.722 268 H VAL 34 H VAL 34 0.561 -10.360 -10.715 269 HA VAL 34 HA VAL 34 0.277 -12.226 -8.563 270 HB VAL 34 HB VAL 34 -0.183 -10.296 -7.139 271 1HG1 VAL 34 1HG1 VAL 34 2.095 -9.863 -9.065 272 2HG1 VAL 34 2HG1 VAL 34 2.119 -10.888 -7.629 273 3HG1 VAL 34 3HG1 VAL 34 1.953 -9.139 -7.464 274 1HG2 VAL 34 1HG2 VAL 34 -1.514 -8.949 -8.676 275 2HG2 VAL 34 2HG2 VAL 34 -0.093 -8.677 -9.686 276 3HG2 VAL 34 3HG2 VAL 34 -0.150 -8.021 -8.049 277 H GLY 35 H GLY 35 -2.002 -10.234 -10.406 278 1HA GLY 35 2HA GLY 35 -4.272 -10.603 -10.738 279 2HA GLY 35 1HA GLY 35 -4.188 -11.947 -9.607 280 H ASP 36 H ASP 36 -3.282 -10.889 -7.356 281 HA ASP 36 HA ASP 36 -5.060 -8.650 -6.697 282 1HB ASP 36 2HB ASP 36 -5.543 -9.671 -4.554 283 2HB ASP 36 1HB ASP 36 -5.991 -10.779 -5.838 284 H GLY 37 H GLY 37 -4.226 -7.117 -5.332 285 1HA GLY 37 2HA GLY 37 -2.215 -7.246 -3.519 286 2HA GLY 37 1HA GLY 37 -1.357 -7.099 -5.042 287 H VAL 38 H VAL 38 -0.543 -5.097 -4.108 288 HA VAL 38 HA VAL 38 -2.228 -2.850 -4.788 289 HB VAL 38 HB VAL 38 -3.008 -3.033 -2.600 290 1HG1 VAL 38 1HG1 VAL 38 -0.167 -3.455 -1.683 291 2HG1 VAL 38 2HG1 VAL 38 -1.435 -4.682 -1.754 292 3HG1 VAL 38 3HG1 VAL 38 -1.575 -3.332 -0.627 293 1HG2 VAL 38 1HG2 VAL 38 -2.360 -0.766 -3.114 294 2HG2 VAL 38 2HG2 VAL 38 -0.724 -1.078 -2.534 295 3HG2 VAL 38 3HG2 VAL 38 -2.076 -1.093 -1.403 296 H ILE 39 H ILE 39 -1.107 -1.133 -5.442 297 HA ILE 39 HA ILE 39 1.828 -1.234 -5.220 298 HB ILE 39 HB ILE 39 0.054 0.135 -7.242 299 1HG1 ILE 39 2HG1 ILE 39 1.688 -0.989 -8.843 300 2HG1 ILE 39 1HG1 ILE 39 2.314 -1.873 -7.459 301 1HG2 ILE 39 1HG2 ILE 39 1.687 1.781 -6.532 302 2HG2 ILE 39 2HG2 ILE 39 2.025 1.229 -8.175 303 3HG2 ILE 39 3HG2 ILE 39 2.992 0.631 -6.825 304 1HD1 ILE 39 1HD1 ILE 39 0.077 -2.831 -7.099 305 2HD1 ILE 39 2HD1 ILE 39 0.731 -3.218 -8.690 306 3HD1 ILE 39 3HD1 ILE 39 -0.505 -1.969 -8.526 307 H LEU 40 H LEU 40 2.705 0.030 -3.749 308 HA LEU 40 HA LEU 40 1.288 2.347 -2.688 309 1HB LEU 40 2HB LEU 40 2.903 0.505 -1.530 310 2HB LEU 40 1HB LEU 40 4.078 1.754 -1.884 311 HG LEU 40 HG LEU 40 1.643 1.980 -0.125 312 1HD1 LEU 40 1HD1 LEU 40 4.594 2.233 0.415 313 2HD1 LEU 40 2HD1 LEU 40 3.546 0.902 0.902 314 3HD1 LEU 40 3HD1 LEU 40 3.311 2.507 1.591 315 1HD2 LEU 40 1HD2 LEU 40 2.320 4.297 0.284 316 2HD2 LEU 40 2HD2 LEU 40 1.845 4.042 -1.394 317 3HD2 LEU 40 3HD2 LEU 40 3.554 4.155 -0.968 318 H LEU 41 H LEU 41 1.509 4.255 -3.727 319 HA LEU 41 HA LEU 41 3.696 4.698 -5.556 320 1HB LEU 41 2HB LEU 41 1.296 6.311 -4.756 321 2HB LEU 41 1HB LEU 41 2.597 7.040 -5.676 322 HG LEU 41 HG LEU 41 2.242 5.329 -7.457 323 1HD1 LEU 41 1HD1 LEU 41 1.226 3.579 -6.111 324 2HD1 LEU 41 2HD1 LEU 41 0.170 4.034 -7.449 325 3HD1 LEU 41 3HD1 LEU 41 -0.180 4.604 -5.817 326 1HD2 LEU 41 1HD2 LEU 41 0.173 6.315 -8.322 327 2HD2 LEU 41 2HD2 LEU 41 1.252 7.538 -7.649 328 3HD2 LEU 41 3HD2 LEU 41 -0.157 7.004 -6.732 329 H SER 42 H SER 42 5.600 4.980 -4.599 330 HA SER 42 HA SER 42 7.294 5.851 -3.389 331 1HB SER 42 2HB SER 42 5.463 8.249 -3.450 332 2HB SER 42 1HB SER 42 7.083 8.301 -2.757 333 HG SER 42 HG SER 42 7.881 7.607 -4.798 334 H SER 43 H SER 43 7.871 6.973 -1.231 335 HA SER 43 HA SER 43 6.282 5.702 0.845 336 1HB SER 43 2HB SER 43 8.929 7.160 1.055 337 2HB SER 43 1HB SER 43 8.177 6.176 2.310 338 HG SER 43 HG SER 43 9.695 4.923 1.250 339 H ASP 44 H ASP 44 4.564 7.367 0.238 340 HA ASP 44 HA ASP 44 5.044 9.965 1.511 341 1HB ASP 44 2HB ASP 44 4.036 9.936 -0.765 342 2HB ASP 44 1HB ASP 44 2.655 9.062 -0.111 343 HA PRO 45 HA PRO 45 2.470 8.360 4.837 344 1HB PRO 45 2HB PRO 45 4.013 9.201 6.831 345 2HB PRO 45 1HB PRO 45 4.531 7.867 5.795 346 1HG PRO 45 2HG PRO 45 5.526 10.645 5.914 347 2HG PRO 45 1HG PRO 45 6.348 9.181 5.355 348 1HD PRO 45 2HD PRO 45 4.962 11.190 3.786 349 2HD PRO 45 1HD PRO 45 5.892 9.788 3.213 350 H ARG 46 H ARG 46 2.602 11.337 3.545 351 HA ARG 46 HA ARG 46 1.864 13.442 4.004 352 1HB ARG 46 2HB ARG 46 0.168 11.776 5.816 353 2HB ARG 46 1HB ARG 46 0.173 13.517 6.060 354 1HG ARG 46 2HG ARG 46 -1.674 12.893 4.648 355 2HG ARG 46 1HG ARG 46 -0.505 13.829 3.720 356 1HD ARG 46 2HD ARG 46 -1.260 12.002 2.373 357 2HD ARG 46 1HD ARG 46 0.415 11.707 2.832 358 HE ARG 46 HE ARG 46 -1.471 10.476 4.604 359 1HH1 ARG 46 1HH1 ARG 46 0.329 10.140 1.624 360 2HH1 ARG 46 2HH1 ARG 46 0.202 8.407 1.599 361 1HH2 ARG 46 1HH2 ARG 46 -1.646 8.188 4.574 362 2HH2 ARG 46 2HH2 ARG 46 -0.935 7.298 3.272 363 H ARG 47 H ARG 47 1.282 14.642 6.577 364 HA ARG 47 HA ARG 47 3.963 14.466 7.756 365 1HB ARG 47 2HB ARG 47 3.306 16.711 6.943 366 2HB ARG 47 1HB ARG 47 1.965 16.709 8.083 367 1HG ARG 47 2HG ARG 47 3.334 16.953 9.909 368 2HG ARG 47 1HG ARG 47 4.727 16.240 9.096 369 1HD ARG 47 2HD ARG 47 5.255 18.506 9.255 370 2HD ARG 47 1HD ARG 47 4.686 18.307 7.602 371 HE ARG 47 HE ARG 47 2.442 19.073 8.885 372 1HH1 ARG 47 1HH1 ARG 47 5.712 20.314 8.848 373 2HH1 ARG 47 2HH1 ARG 47 5.245 21.963 9.142 374 1HH2 ARG 47 1HH2 ARG 47 1.793 21.263 9.234 375 2HH2 ARG 47 2HH2 ARG 47 3.006 22.507 9.355 376 H THR 48 H THR 48 4.005 13.083 9.323 377 HA THR 48 HA THR 48 2.156 13.355 11.566 378 HB THR 48 HB THR 48 2.751 10.702 10.214 379 HG1 THR 48 1HG THR 48 0.882 12.556 9.720 380 1HG2 THR 48 1HG2 THR 48 0.986 11.350 12.583 381 2HG2 THR 48 2HG2 THR 48 2.497 10.443 12.625 382 3HG2 THR 48 3HG2 THR 48 1.095 9.779 11.790 383 HA PRO 49 HA PRO 49 5.910 13.080 14.015 384 1HB PRO 49 2HB PRO 49 4.158 11.315 15.680 385 2HB PRO 49 1HB PRO 49 5.222 12.635 16.183 386 1HG PRO 49 2HG PRO 49 2.597 13.011 16.025 387 2HG PRO 49 1HG PRO 49 3.723 14.280 15.508 388 1HD PRO 49 2HD PRO 49 2.035 12.461 13.871 389 2HD PRO 49 1HD PRO 49 2.575 14.116 13.530 390 H GLU 50 H GLU 50 7.484 11.523 14.680 391 HA GLU 50 HA GLU 50 8.822 9.730 14.306 392 1HB GLU 50 2HB GLU 50 6.225 8.308 13.690 393 2HB GLU 50 1HB GLU 50 7.791 7.514 13.766 394 1HG GLU 50 2HG GLU 50 7.986 8.077 16.115 395 2HG GLU 50 1HG GLU 50 6.461 8.961 16.048 396 H VAL 51 H VAL 51 8.241 7.694 12.221 397 HA VAL 51 HA VAL 51 8.477 7.321 9.997 398 HB VAL 51 HB VAL 51 7.467 10.151 9.675 399 1HG1 VAL 51 1HG1 VAL 51 7.754 7.932 7.651 400 2HG1 VAL 51 2HG1 VAL 51 8.674 9.435 7.694 401 3HG1 VAL 51 3HG1 VAL 51 6.941 9.471 7.365 402 1HG2 VAL 51 1HG2 VAL 51 5.319 9.069 9.141 403 2HG2 VAL 51 2HG2 VAL 51 5.844 8.726 10.788 404 3HG2 VAL 51 3HG2 VAL 51 6.026 7.502 9.532 405 H SER 52 H SER 52 10.665 7.056 9.976 406 HA SER 52 HA SER 52 12.418 9.332 9.602 407 1HB SER 52 2HB SER 52 13.130 6.407 9.289 408 2HB SER 52 1HB SER 52 14.209 7.749 9.680 409 HG SER 52 HG SER 52 12.616 7.913 11.604 410 H ASP 53 H ASP 53 11.945 6.337 7.753 411 HA ASP 53 HA ASP 53 11.472 7.876 5.322 412 1HB ASP 53 2HB ASP 53 13.076 6.551 4.025 413 2HB ASP 53 1HB ASP 53 13.899 7.420 5.314 414 H ASN 54 H ASN 54 10.089 6.095 7.289 415 HA ASN 54 HA ASN 54 9.333 3.824 5.585 416 1HB ASN 54 2HB ASN 54 8.633 2.702 7.620 417 2HB ASN 54 1HB ASN 54 10.281 3.284 7.819 418 1HD2 ASN 54 1HD2 ASN 54 7.004 3.546 8.874 419 2HD2 ASN 54 2HD2 ASN 54 7.302 4.603 10.210 420 HA PRO 55 HA PRO 55 5.189 5.500 5.487 421 1HB PRO 55 2HB PRO 55 3.854 3.357 4.602 422 2HB PRO 55 1HB PRO 55 4.995 4.223 3.566 423 1HG PRO 55 2HG PRO 55 5.354 1.654 5.047 424 2HG PRO 55 1HG PRO 55 5.915 2.101 3.428 425 1HD PRO 55 2HD PRO 55 7.477 2.138 5.717 426 2HD PRO 55 1HD PRO 55 7.824 3.050 4.234 427 H VAL 56 H VAL 56 3.106 5.214 6.489 428 HA VAL 56 HA VAL 56 2.988 3.282 8.697 429 HB VAL 56 HB VAL 56 1.912 4.995 10.137 430 1HG1 VAL 56 1HG1 VAL 56 3.956 6.240 10.712 431 2HG1 VAL 56 2HG1 VAL 56 4.692 5.702 9.202 432 3HG1 VAL 56 3HG1 VAL 56 4.273 4.526 10.447 433 1HG2 VAL 56 1HG2 VAL 56 2.137 7.370 9.571 434 2HG2 VAL 56 2HG2 VAL 56 1.116 6.517 8.415 435 3HG2 VAL 56 3HG2 VAL 56 2.778 6.928 7.989 436 H MET 57 H MET 57 0.726 3.024 9.521 437 HA MET 57 HA MET 57 -1.521 2.793 9.327 438 1HB MET 57 2HB MET 57 -1.718 5.107 8.647 439 2HB MET 57 1HB MET 57 -1.244 4.702 7.004 440 1HG MET 57 2HG MET 57 -3.292 3.388 6.745 441 2HG MET 57 1HG MET 57 -3.774 3.821 8.385 442 1HE MET 57 1HE MET 57 -2.733 6.859 8.509 443 2HE MET 57 2HE MET 57 -4.299 6.351 9.139 444 3HE MET 57 3HE MET 57 -4.196 7.727 8.044 445 H ILE 58 H ILE 58 0.104 2.737 6.189 446 HA ILE 58 HA ILE 58 -1.612 0.990 4.854 447 HB ILE 58 HB ILE 58 1.359 1.386 4.478 448 1HG1 ILE 58 2HG1 ILE 58 -0.837 2.515 2.765 449 2HG1 ILE 58 1HG1 ILE 58 -0.333 3.340 4.236 450 1HG2 ILE 58 1HG2 ILE 58 1.043 0.475 2.234 451 2HG2 ILE 58 2HG2 ILE 58 -0.648 0.143 2.603 452 3HG2 ILE 58 3HG2 ILE 58 0.628 -0.715 3.468 453 1HD1 ILE 58 1HD1 ILE 58 1.440 2.665 1.905 454 2HD1 ILE 58 2HD1 ILE 58 1.925 3.527 3.367 455 3HD1 ILE 58 3HD1 ILE 58 0.754 4.251 2.262 456 H ALA 59 H ALA 59 1.342 0.256 6.703 457 HA ALA 59 HA ALA 59 1.305 -2.517 6.151 458 1HB ALA 59 1HB ALA 59 2.587 -1.070 8.461 459 2HB ALA 59 2HB ALA 59 3.330 -1.374 6.888 460 3HB ALA 59 3HB ALA 59 2.932 -2.723 7.953 461 H GLU 60 H GLU 60 0.216 -0.656 8.966 462 HA GLU 60 HA GLU 60 -0.727 -2.751 10.503 463 1HB GLU 60 2HB GLU 60 -1.887 0.033 10.308 464 2HB GLU 60 1HB GLU 60 -2.107 -1.089 11.633 465 1HG GLU 60 2HG GLU 60 -0.489 0.238 12.502 466 2HG GLU 60 1HG GLU 60 0.491 -1.015 11.751 467 H LEU 61 H LEU 61 -2.488 -0.772 8.152 468 HA LEU 61 HA LEU 61 -5.013 -1.884 8.309 469 1HB LEU 61 2HB LEU 61 -4.378 0.068 6.948 470 2HB LEU 61 1HB LEU 61 -3.540 -0.980 5.838 471 HG LEU 61 HG LEU 61 -5.688 -2.071 5.263 472 1HD1 LEU 61 1HD1 LEU 61 -6.902 -1.663 7.314 473 2HD1 LEU 61 2HD1 LEU 61 -7.785 -1.001 5.939 474 3HD1 LEU 61 3HD1 LEU 61 -6.881 0.073 7.008 475 1HD2 LEU 61 1HD2 LEU 61 -5.656 0.922 4.914 476 2HD2 LEU 61 2HD2 LEU 61 -6.582 -0.226 3.947 477 3HD2 LEU 61 3HD2 LEU 61 -4.820 -0.251 3.898 478 H LEU 62 H LEU 62 -2.327 -2.835 6.264 479 HA LEU 62 HA LEU 62 -3.740 -4.944 4.980 480 1HB LEU 62 2HB LEU 62 -0.941 -3.951 4.966 481 2HB LEU 62 1HB LEU 62 -1.236 -5.572 4.370 482 HG LEU 62 HG LEU 62 -2.746 -4.718 2.666 483 1HD1 LEU 62 1HD1 LEU 62 -3.057 -2.332 2.308 484 2HD1 LEU 62 2HD1 LEU 62 -2.148 -1.986 3.779 485 3HD1 LEU 62 3HD1 LEU 62 -3.692 -2.833 3.876 486 1HD2 LEU 62 1HD2 LEU 62 -0.383 -4.842 2.140 487 2HD2 LEU 62 2HD2 LEU 62 -0.141 -3.210 2.762 488 3HD2 LEU 62 3HD2 LEU 62 -1.130 -3.469 1.322 489 H ARG 63 H ARG 63 -2.198 -4.800 8.019 490 HA ARG 63 HA ARG 63 -1.575 -7.637 8.051 491 1HB ARG 63 2HB ARG 63 -1.272 -5.480 10.123 492 2HB ARG 63 1HB ARG 63 -1.003 -7.176 10.489 493 1HG ARG 63 2HG ARG 63 0.545 -6.922 8.313 494 2HG ARG 63 1HG ARG 63 0.647 -5.283 8.962 495 1HD ARG 63 2HD ARG 63 2.435 -6.585 9.896 496 2HD ARG 63 1HD ARG 63 1.252 -6.267 11.167 497 HE ARG 63 HE ARG 63 0.668 -8.733 9.918 498 1HH1 ARG 63 1HH1 ARG 63 2.957 -7.283 12.141 499 2HH1 ARG 63 2HH1 ARG 63 3.374 -8.802 12.887 500 1HH2 ARG 63 1HH2 ARG 63 1.179 -10.703 10.906 501 2HH2 ARG 63 2HH2 ARG 63 2.345 -10.752 12.200 502 H GLU 64 H GLU 64 -3.933 -5.452 9.582 503 HA GLU 64 HA GLU 64 -5.165 -7.763 10.842 504 1HB GLU 64 2HB GLU 64 -6.603 -6.103 11.978 505 2HB GLU 64 1HB GLU 64 -4.893 -5.875 12.279 506 1HG GLU 64 2HG GLU 64 -4.894 -4.066 10.590 507 2HG GLU 64 1HG GLU 64 -6.644 -4.257 10.446 508 H PHE 65 H PHE 65 -5.266 -6.785 7.866 509 HA PHE 65 HA PHE 65 -8.121 -6.780 7.419 510 1HB PHE 65 2HB PHE 65 -6.016 -5.906 5.913 511 2HB PHE 65 1HB PHE 65 -6.329 -7.469 5.171 512 HD1 PHE 65 1HD PHE 65 -7.664 -4.130 5.831 513 HD2 PHE 65 2HD PHE 65 -8.363 -7.875 3.929 514 HE1 PHE 65 1HE PHE 65 -9.495 -3.121 4.534 515 HE2 PHE 65 2HE PHE 65 -10.197 -6.870 2.625 516 HZ PHE 65 HZ PHE 65 -10.763 -4.487 2.927 517 HA PRO 66 HA PRO 66 -7.794 -11.205 8.063 518 1HB PRO 66 2HB PRO 66 -10.633 -11.329 8.421 519 2HB PRO 66 1HB PRO 66 -9.376 -11.363 9.658 520 1HG PRO 66 2HG PRO 66 -11.187 -9.310 9.311 521 2HG PRO 66 1HG PRO 66 -9.621 -9.149 10.124 522 1HD PRO 66 2HD PRO 66 -10.398 -8.408 7.330 523 2HD PRO 66 1HD PRO 66 -9.325 -7.561 8.466 524 H GLN 67 H GLN 67 -9.256 -9.650 5.486 525 HA GLN 67 HA GLN 67 -10.573 -12.040 4.459 526 1HB GLN 67 2HB GLN 67 -11.226 -9.369 4.345 527 2HB GLN 67 1HB GLN 67 -10.567 -9.666 2.743 528 1HG GLN 67 2HG GLN 67 -12.818 -11.190 4.039 529 2HG GLN 67 1HG GLN 67 -12.980 -9.953 2.794 530 1HE2 GLN 67 1HE2 GLN 67 -12.415 -10.435 0.682 531 2HE2 GLN 67 2HE2 GLN 67 -12.181 -12.058 0.138 532 H PHE 68 H PHE 68 -7.664 -10.194 3.983 533 HA PHE 68 HA PHE 68 -7.042 -11.859 1.644 534 1HB PHE 68 2HB PHE 68 -6.678 -8.867 1.818 535 2HB PHE 68 1HB PHE 68 -5.980 -9.877 0.560 536 HD1 PHE 68 1HD PHE 68 -8.824 -8.025 1.618 537 HD2 PHE 68 2HD PHE 68 -7.575 -11.202 -0.920 538 HE1 PHE 68 1HE PHE 68 -10.879 -7.772 0.290 539 HE2 PHE 68 2HE PHE 68 -9.626 -10.949 -2.255 540 HZ PHE 68 HZ PHE 68 -11.282 -9.232 -1.650 541 H ASP 69 H ASP 69 -4.999 -12.537 1.448 542 HA ASP 69 HA ASP 69 -2.933 -11.200 3.065 543 1HB ASP 69 2HB ASP 69 -3.257 -13.640 3.608 544 2HB ASP 69 1HB ASP 69 -2.810 -14.015 1.946 545 H TRP 70 H TRP 70 -3.226 -9.681 1.230 546 HA TRP 70 HA TRP 70 -2.518 -10.591 -1.393 547 1HB TRP 70 2HB TRP 70 -2.653 -8.015 -1.855 548 2HB TRP 70 1HB TRP 70 -4.107 -8.967 -1.612 549 HD1 TRP 70 HD TRP 70 -2.121 -7.917 1.486 550 HE1 TRP 70 1HE TRP 70 -3.510 -6.177 2.780 551 HE3 TRP 70 3HE TRP 70 -5.798 -7.086 -1.962 552 HZ2 TRP 70 2HZ TRP 70 -5.834 -4.641 2.382 553 HZ3 TRP 70 3HZ TRP 70 -7.572 -5.460 -1.427 554 HH2 TRP 70 HH TRP 70 -7.585 -4.263 0.700 555 H GLN 71 H GLN 71 -0.973 -9.399 -2.729 556 HA GLN 71 HA GLN 71 1.594 -9.458 -1.374 557 1HB GLN 71 2HB GLN 71 0.911 -9.288 -4.315 558 2HB GLN 71 1HB GLN 71 2.508 -9.595 -3.637 559 1HG GLN 71 2HG GLN 71 1.855 -11.703 -2.796 560 2HG GLN 71 1HG GLN 71 0.152 -11.374 -3.097 561 1HE2 GLN 71 1HE2 GLN 71 -0.650 -11.530 -5.208 562 2HE2 GLN 71 2HE2 GLN 71 0.231 -12.352 -6.447 563 H VAL 72 H VAL 72 2.685 -7.689 -0.849 564 HA VAL 72 HA VAL 72 1.496 -5.114 -1.503 565 HB VAL 72 HB VAL 72 3.774 -5.632 0.405 566 1HG1 VAL 72 1HG1 VAL 72 1.775 -3.384 0.201 567 2HG1 VAL 72 2HG1 VAL 72 3.484 -3.309 -0.227 568 3HG1 VAL 72 3HG1 VAL 72 3.007 -3.551 1.452 569 1HG2 VAL 72 1HG2 VAL 72 2.089 -5.685 2.195 570 2HG2 VAL 72 2HG2 VAL 72 1.935 -7.043 1.081 571 3HG2 VAL 72 3HG2 VAL 72 0.816 -5.685 0.974 572 H ALA 73 H ALA 73 2.308 -3.807 -2.984 573 HA ALA 73 HA ALA 73 5.132 -4.125 -3.764 574 1HB ALA 73 1HB ALA 73 2.820 -3.130 -5.423 575 2HB ALA 73 2HB ALA 73 3.565 -4.723 -5.549 576 3HB ALA 73 3HB ALA 73 4.491 -3.279 -5.962 577 H VAL 74 H VAL 74 6.343 -2.223 -4.133 578 HA VAL 74 HA VAL 74 5.106 0.295 -3.294 579 HB VAL 74 HB VAL 74 6.089 -0.651 -1.264 580 1HG1 VAL 74 1HG1 VAL 74 7.785 -2.078 -2.235 581 2HG1 VAL 74 2HG1 VAL 74 8.519 -0.979 -1.069 582 3HG1 VAL 74 3HG1 VAL 74 8.685 -0.672 -2.796 583 1HG2 VAL 74 1HG2 VAL 74 6.103 1.758 -1.498 584 2HG2 VAL 74 2HG2 VAL 74 7.650 1.690 -2.345 585 3HG2 VAL 74 3HG2 VAL 74 7.553 1.223 -0.647 586 H ALA 75 H ALA 75 5.969 2.104 -4.251 587 HA ALA 75 HA ALA 75 8.076 1.624 -6.254 588 1HB ALA 75 1HB ALA 75 5.955 2.357 -7.213 589 2HB ALA 75 2HB ALA 75 7.193 3.595 -7.426 590 3HB ALA 75 3HB ALA 75 5.965 3.782 -6.174 591 H ASP 76 H ASP 76 9.698 3.246 -6.540 592 HA ASP 76 HA ASP 76 10.678 4.247 -4.064 593 1HB ASP 76 2HB ASP 76 12.486 5.263 -5.597 594 2HB ASP 76 1HB ASP 76 12.360 3.510 -5.511 595 H LEU 77 H LEU 77 10.973 6.371 -6.821 596 HA LEU 77 HA LEU 77 9.306 8.363 -5.442 597 1HB LEU 77 2HB LEU 77 12.130 8.752 -6.425 598 2HB LEU 77 1HB LEU 77 11.060 10.077 -6.011 599 HG LEU 77 HG LEU 77 11.980 7.930 -4.093 600 1HD1 LEU 77 1HD1 LEU 77 13.808 9.392 -4.765 601 2HD1 LEU 77 2HD1 LEU 77 13.334 9.700 -3.094 602 3HD1 LEU 77 3HD1 LEU 77 12.833 10.808 -4.372 603 1HD2 LEU 77 1HD2 LEU 77 10.422 10.471 -3.624 604 2HD2 LEU 77 2HD2 LEU 77 11.001 9.368 -2.378 605 3HD2 LEU 77 3HD2 LEU 77 9.781 8.830 -3.532 606 H GLU 78 H GLU 78 11.214 7.742 -8.384 607 HA GLU 78 HA GLU 78 9.652 9.546 -9.951 608 1HB GLU 78 2HB GLU 78 11.809 7.543 -10.565 609 2HB GLU 78 1HB GLU 78 10.962 8.390 -11.840 610 1HG GLU 78 2HG GLU 78 13.045 9.490 -11.376 611 2HG GLU 78 1HG GLU 78 11.707 10.532 -10.905 612 H GLN 79 H GLN 79 9.636 6.110 -9.309 613 HA GLN 79 HA GLN 79 8.157 5.271 -11.548 614 1HB GLN 79 2HB GLN 79 8.343 4.021 -8.806 615 2HB GLN 79 1HB GLN 79 7.647 3.239 -10.219 616 1HG GLN 79 2HG GLN 79 10.502 4.142 -9.927 617 2HG GLN 79 1HG GLN 79 9.922 2.484 -9.788 618 1HE2 GLN 79 1HE2 GLN 79 11.892 3.575 -11.597 619 2HE2 GLN 79 2HE2 GLN 79 11.311 3.271 -13.202 620 H SER 80 H SER 80 7.088 6.438 -8.387 621 HA SER 80 HA SER 80 4.476 5.526 -8.409 622 1HB SER 80 2HB SER 80 4.028 7.471 -6.868 623 2HB SER 80 1HB SER 80 5.400 6.461 -6.411 624 HG SER 80 HG SER 80 6.299 8.391 -6.312 625 H GLU 81 H GLU 81 5.671 8.680 -9.581 626 HA GLU 81 HA GLU 81 3.107 9.563 -10.400 627 1HB GLU 81 2HB GLU 81 5.020 11.085 -9.920 628 2HB GLU 81 1HB GLU 81 5.790 10.522 -11.399 629 1HG GLU 81 2HG GLU 81 3.950 11.400 -12.717 630 2HG GLU 81 1HG GLU 81 3.126 11.913 -11.246 631 H ALA 82 H ALA 82 5.673 7.794 -12.006 632 HA ALA 82 HA ALA 82 4.648 8.009 -14.639 633 1HB ALA 82 1HB ALA 82 6.368 5.831 -13.454 634 2HB ALA 82 2HB ALA 82 6.958 7.338 -14.153 635 3HB ALA 82 3HB ALA 82 6.138 6.156 -15.172 636 H ILE 83 H ILE 83 4.185 5.641 -12.050 637 HA ILE 83 HA ILE 83 2.397 3.950 -13.459 638 HB ILE 83 HB ILE 83 2.622 4.447 -10.481 639 1HG1 ILE 83 2HG1 ILE 83 3.779 2.233 -12.192 640 2HG1 ILE 83 1HG1 ILE 83 4.688 3.603 -11.570 641 1HG2 ILE 83 1HG2 ILE 83 0.462 3.468 -11.072 642 2HG2 ILE 83 2HG2 ILE 83 1.470 2.306 -10.209 643 3HG2 ILE 83 3HG2 ILE 83 1.282 2.182 -11.958 644 1HD1 ILE 83 1HD1 ILE 83 4.262 2.869 -9.291 645 2HD1 ILE 83 2HD1 ILE 83 5.057 1.608 -10.235 646 3HD1 ILE 83 3HD1 ILE 83 3.330 1.501 -9.904 647 H GLY 84 H GLY 84 1.991 6.832 -11.481 648 1HA GLY 84 2HA GLY 84 -0.828 6.869 -11.406 649 2HA GLY 84 1HA GLY 84 0.225 8.260 -11.187 650 H ASP 85 H ASP 85 1.452 7.834 -13.834 651 HA ASP 85 HA ASP 85 -0.354 9.419 -15.398 652 1HB ASP 85 2HB ASP 85 2.120 9.656 -15.472 653 2HB ASP 85 1HB ASP 85 2.234 8.063 -16.194 654 H ARG 86 H ARG 86 0.649 6.114 -15.243 655 HA ARG 86 HA ARG 86 0.063 5.061 -17.688 656 1HB ARG 86 2HB ARG 86 1.037 3.886 -15.709 657 2HB ARG 86 1HB ARG 86 -0.585 3.717 -15.065 658 1HG ARG 86 2HG ARG 86 0.242 1.682 -16.178 659 2HG ARG 86 1HG ARG 86 -1.232 2.321 -16.904 660 1HD ARG 86 2HD ARG 86 0.547 1.547 -18.519 661 2HD ARG 86 1HD ARG 86 -0.064 3.180 -18.767 662 HE ARG 86 HE ARG 86 1.983 4.036 -17.841 663 1HH1 ARG 86 1HH1 ARG 86 2.003 0.574 -18.459 664 2HH1 ARG 86 2HH1 ARG 86 3.735 0.497 -18.607 665 1HH2 ARG 86 1HH2 ARG 86 4.237 3.920 -18.028 666 2HH2 ARG 86 2HH2 ARG 86 5.006 2.396 -18.346 667 H PHE 87 H PHE 87 -2.282 5.689 -15.094 668 HA PHE 87 HA PHE 87 -4.372 5.448 -17.152 669 1HB PHE 87 2HB PHE 87 -5.918 4.484 -15.467 670 2HB PHE 87 1HB PHE 87 -4.556 3.435 -15.836 671 HD1 PHE 87 1HD PHE 87 -6.105 5.579 -13.310 672 HD2 PHE 87 2HD PHE 87 -2.889 2.934 -14.182 673 HE1 PHE 87 1HE PHE 87 -5.595 5.417 -10.914 674 HE2 PHE 87 2HE PHE 87 -2.376 2.764 -11.783 675 HZ PHE 87 HZ PHE 87 -3.731 4.007 -10.147 676 H ASN 88 H ASN 88 -2.809 7.458 -15.225 677 HA ASN 88 HA ASN 88 -3.114 9.609 -14.617 678 1HB ASN 88 2HB ASN 88 -4.321 9.610 -16.884 679 2HB ASN 88 1HB ASN 88 -5.812 9.564 -15.952 680 1HD2 ASN 88 1HD2 ASN 88 -4.714 11.586 -17.751 681 2HD2 ASN 88 2HD2 ASN 88 -4.666 13.051 -16.828 682 H VAL 89 H VAL 89 -3.217 8.853 -12.456 683 HA VAL 89 HA VAL 89 -5.667 8.374 -11.099 684 HB VAL 89 HB VAL 89 -3.143 9.423 -9.815 685 1HG1 VAL 89 1HG1 VAL 89 -3.930 8.197 -7.859 686 2HG1 VAL 89 2HG1 VAL 89 -5.360 7.675 -8.751 687 3HG1 VAL 89 3HG1 VAL 89 -5.122 9.387 -8.387 688 1HG2 VAL 89 1HG2 VAL 89 -2.491 7.070 -9.492 689 2HG2 VAL 89 2HG2 VAL 89 -2.519 7.539 -11.191 690 3HG2 VAL 89 3HG2 VAL 89 -3.836 6.574 -10.521 691 H ARG 90 H ARG 90 -3.542 11.023 -10.143 692 HA ARG 90 HA ARG 90 -5.450 13.085 -10.761 693 1HB ARG 90 2HB ARG 90 -6.352 11.991 -8.656 694 2HB ARG 90 1HB ARG 90 -4.894 12.531 -7.838 695 1HG ARG 90 2HG ARG 90 -6.137 14.311 -7.300 696 2HG ARG 90 1HG ARG 90 -5.739 14.855 -8.930 697 1HD ARG 90 2HD ARG 90 -8.060 15.113 -8.768 698 2HD ARG 90 1HD ARG 90 -7.841 13.612 -9.671 699 HE ARG 90 HE ARG 90 -8.070 13.133 -6.868 700 1HH1 ARG 90 1HH1 ARG 90 -9.953 13.775 -9.759 701 2HH1 ARG 90 2HH1 ARG 90 -11.413 13.108 -9.091 702 1HH2 ARG 90 1HH2 ARG 90 -9.960 12.248 -6.009 703 2HH2 ARG 90 2HH2 ARG 90 -11.421 12.221 -6.962 704 H ARG 91 H ARG 91 -2.468 12.130 -10.741 705 HA ARG 91 HA ARG 91 -0.380 13.001 -10.599 706 1HB ARG 91 2HB ARG 91 -1.943 15.578 -10.460 707 2HB ARG 91 1HB ARG 91 -0.186 15.538 -10.457 708 1HG ARG 91 2HG ARG 91 -1.934 14.398 -12.626 709 2HG ARG 91 1HG ARG 91 -1.137 15.972 -12.680 710 1HD ARG 91 2HD ARG 91 1.013 14.989 -12.686 711 2HD ARG 91 1HD ARG 91 0.368 13.406 -12.254 712 HE ARG 91 HE ARG 91 -0.760 14.232 -14.699 713 1HH1 ARG 91 1HH1 ARG 91 2.341 13.257 -13.399 714 2HH1 ARG 91 2HH1 ARG 91 2.878 12.512 -14.869 715 1HH2 ARG 91 1HH2 ARG 91 -0.079 13.232 -16.623 716 2HH2 ARG 91 2HH2 ARG 91 1.461 12.436 -16.697 717 H PHE 92 H PHE 92 -1.860 12.131 -8.242 718 HA PHE 92 HA PHE 92 -0.078 13.322 -6.245 719 1HB PHE 92 2HB PHE 92 -3.041 12.821 -5.942 720 2HB PHE 92 1HB PHE 92 -1.970 12.976 -4.556 721 HD1 PHE 92 1HD PHE 92 -3.854 14.711 -7.078 722 HD2 PHE 92 2HD PHE 92 -0.744 15.130 -4.206 723 HE1 PHE 92 1HE PHE 92 -4.111 17.158 -7.158 724 HE2 PHE 92 2HE PHE 92 -0.995 17.573 -4.283 725 HZ PHE 92 HZ PHE 92 -2.678 18.593 -5.759 726 HA PRO 93 HA PRO 93 0.870 9.076 -5.382 727 1HB PRO 93 2HB PRO 93 1.490 9.858 -2.625 728 2HB PRO 93 1HB PRO 93 2.570 9.262 -3.887 729 1HG PRO 93 2HG PRO 93 2.637 11.820 -3.034 730 2HG PRO 93 1HG PRO 93 2.989 11.373 -4.714 731 1HD PRO 93 2HD PRO 93 0.480 12.510 -3.540 732 2HD PRO 93 1HD PRO 93 1.287 12.907 -5.073 733 H ALA 94 H ALA 94 -0.226 7.336 -4.641 734 HA ALA 94 HA ALA 94 -2.009 7.546 -2.370 735 1HB ALA 94 1HB ALA 94 -3.993 6.811 -3.603 736 2HB ALA 94 2HB ALA 94 -3.093 6.917 -5.118 737 3HB ALA 94 3HB ALA 94 -3.419 8.374 -4.180 738 H THR 95 H THR 95 -3.343 5.308 -2.383 739 HA THR 95 HA THR 95 -1.385 3.165 -2.909 740 HB THR 95 HB THR 95 -3.567 3.029 -0.832 741 HG1 THR 95 1HG THR 95 -1.076 4.335 -0.732 742 1HG2 THR 95 1HG2 THR 95 -2.065 1.383 0.194 743 2HG2 THR 95 2HG2 THR 95 -0.905 1.630 -1.111 744 3HG2 THR 95 3HG2 THR 95 -2.486 0.928 -1.456 745 H LEU 96 H LEU 96 -2.032 1.840 -4.520 746 HA LEU 96 HA LEU 96 -4.823 2.036 -5.387 747 1HB LEU 96 2HB LEU 96 -2.427 0.958 -6.870 748 2HB LEU 96 1HB LEU 96 -4.017 1.249 -7.534 749 HG LEU 96 HG LEU 96 -2.229 3.423 -6.455 750 1HD1 LEU 96 1HD1 LEU 96 -1.229 2.340 -8.408 751 2HD1 LEU 96 2HD1 LEU 96 -1.780 3.974 -8.780 752 3HD1 LEU 96 3HD1 LEU 96 -2.727 2.582 -9.307 753 1HD2 LEU 96 1HD2 LEU 96 -4.753 3.510 -8.107 754 2HD2 LEU 96 2HD2 LEU 96 -3.769 4.902 -7.656 755 3HD2 LEU 96 3HD2 LEU 96 -4.605 3.972 -6.411 756 H VAL 97 H VAL 97 -6.192 0.367 -5.272 757 HA VAL 97 HA VAL 97 -5.176 -2.215 -4.309 758 HB VAL 97 HB VAL 97 -8.025 -1.213 -4.491 759 1HG1 VAL 97 1HG1 VAL 97 -8.583 -3.122 -3.070 760 2HG1 VAL 97 2HG1 VAL 97 -6.906 -3.661 -3.130 761 3HG1 VAL 97 3HG1 VAL 97 -7.882 -3.648 -4.599 762 1HG2 VAL 97 1HG2 VAL 97 -7.878 -1.015 -2.040 763 2HG2 VAL 97 2HG2 VAL 97 -6.768 0.073 -2.872 764 3HG2 VAL 97 3HG2 VAL 97 -6.162 -1.406 -2.128 765 H PHE 98 H PHE 98 -5.030 -3.925 -5.609 766 HA PHE 98 HA PHE 98 -6.517 -3.871 -8.146 767 1HB PHE 98 2HB PHE 98 -3.718 -4.892 -7.620 768 2HB PHE 98 1HB PHE 98 -4.597 -5.151 -9.124 769 HD1 PHE 98 1HD PHE 98 -2.976 -2.657 -6.981 770 HD2 PHE 98 2HD PHE 98 -4.863 -3.394 -10.719 771 HE1 PHE 98 1HE PHE 98 -2.169 -0.490 -7.812 772 HE2 PHE 98 2HE PHE 98 -4.052 -1.229 -11.549 773 HZ PHE 98 HZ PHE 98 -2.721 0.229 -10.100 774 H THR 99 H THR 99 -7.820 -5.490 -8.459 775 HA THR 99 HA THR 99 -7.218 -8.135 -7.384 776 HB THR 99 HB THR 99 -9.766 -8.312 -6.873 777 HG1 THR 99 1HG THR 99 -9.920 -5.789 -5.977 778 1HG2 THR 99 1HG2 THR 99 -7.955 -6.720 -5.050 779 2HG2 THR 99 2HG2 THR 99 -8.025 -8.480 -5.160 780 3HG2 THR 99 3HG2 THR 99 -9.418 -7.578 -4.564 781 H ASP 100 H ASP 100 -7.951 -9.810 -8.698 782 HA ASP 100 HA ASP 100 -8.652 -10.859 -10.584 783 1HB ASP 100 2HB ASP 100 -10.512 -8.486 -10.712 784 2HB ASP 100 1HB ASP 100 -10.550 -9.790 -11.888 785 H GLY 101 H GLY 101 -6.506 -8.743 -10.569 786 1HA GLY 101 2HA GLY 101 -5.043 -7.866 -12.126 787 2HA GLY 101 1HA GLY 101 -5.971 -8.684 -13.376 788 H LYS 102 H LYS 102 -7.850 -6.718 -11.351 789 HA LYS 102 HA LYS 102 -7.764 -4.512 -13.309 790 1HB LYS 102 2HB LYS 102 -10.153 -5.714 -11.899 791 2HB LYS 102 1HB LYS 102 -10.207 -4.226 -12.836 792 1HG LYS 102 2HG LYS 102 -9.751 -5.359 -14.848 793 2HG LYS 102 1HG LYS 102 -9.287 -6.833 -13.999 794 1HD LYS 102 2HD LYS 102 -11.579 -7.141 -13.247 795 2HD LYS 102 1HD LYS 102 -12.054 -5.636 -14.039 796 1HE LYS 102 2HE LYS 102 -12.618 -7.658 -15.356 797 2HE LYS 102 1HE LYS 102 -11.540 -6.550 -16.201 798 1HZ LYS 102 1HZ LYS 102 -9.668 -7.977 -15.541 799 2HZ LYS 102 2HZ LYS 102 -10.797 -8.805 -16.492 800 3HZ LYS 102 3HZ LYS 102 -10.753 -9.064 -14.820 801 H LEU 103 H LEU 103 -8.105 -2.407 -12.511 802 HA LEU 103 HA LEU 103 -7.317 -2.023 -9.754 803 1HB LEU 103 2HB LEU 103 -6.419 -0.565 -11.496 804 2HB LEU 103 1HB LEU 103 -8.038 -0.051 -11.930 805 HG LEU 103 HG LEU 103 -8.260 0.947 -9.648 806 1HD1 LEU 103 1HD1 LEU 103 -6.245 1.343 -8.349 807 2HD1 LEU 103 2HD1 LEU 103 -5.320 0.346 -9.474 808 3HD1 LEU 103 3HD1 LEU 103 -6.595 -0.380 -8.491 809 1HD2 LEU 103 1HD2 LEU 103 -5.984 1.976 -11.323 810 2HD2 LEU 103 2HD2 LEU 103 -6.913 2.903 -10.143 811 3HD2 LEU 103 3HD2 LEU 103 -7.695 2.294 -11.602 812 H ARG 104 H ARG 104 -8.717 -1.928 -8.115 813 HA ARG 104 HA ARG 104 -11.549 -1.588 -8.767 814 1HB ARG 104 2HB ARG 104 -10.105 -3.212 -6.915 815 2HB ARG 104 1HB ARG 104 -11.219 -2.186 -6.022 816 1HG ARG 104 2HG ARG 104 -12.298 -4.263 -6.538 817 2HG ARG 104 1HG ARG 104 -13.056 -2.970 -7.471 818 1HD ARG 104 2HD ARG 104 -11.697 -3.611 -9.421 819 2HD ARG 104 1HD ARG 104 -11.006 -4.936 -8.483 820 HE ARG 104 HE ARG 104 -13.852 -4.722 -9.251 821 1HH1 ARG 104 1HH1 ARG 104 -11.037 -6.622 -8.387 822 2HH1 ARG 104 2HH1 ARG 104 -11.800 -8.150 -8.737 823 1HH2 ARG 104 1HH2 ARG 104 -14.863 -6.714 -9.674 824 2HH2 ARG 104 2HH2 ARG 104 -13.986 -8.196 -9.445 825 H GLY 105 H GLY 105 -8.951 -0.005 -7.091 826 1HA GLY 105 2HA GLY 105 -10.087 2.489 -7.052 827 2HA GLY 105 1HA GLY 105 -10.642 1.739 -5.562 828 H ALA 106 H ALA 106 -9.406 3.670 -4.733 829 HA ALA 106 HA ALA 106 -6.671 2.835 -4.121 830 1HB ALA 106 1HB ALA 106 -5.807 5.089 -4.508 831 2HB ALA 106 2HB ALA 106 -7.394 5.603 -5.079 832 3HB ALA 106 3HB ALA 106 -6.478 4.401 -5.987 833 H LEU 107 H LEU 107 -5.922 3.517 -2.121 834 HA LEU 107 HA LEU 107 -7.947 4.249 -0.207 835 1HB LEU 107 2HB LEU 107 -5.023 3.612 -0.004 836 2HB LEU 107 1HB LEU 107 -5.871 4.317 1.351 837 HG LEU 107 HG LEU 107 -5.744 1.962 1.676 838 1HD1 LEU 107 1HD1 LEU 107 -8.110 1.364 1.844 839 2HD1 LEU 107 2HD1 LEU 107 -8.525 2.724 0.799 840 3HD1 LEU 107 3HD1 LEU 107 -7.812 3.016 2.386 841 1HD2 LEU 107 1HD2 LEU 107 -6.704 0.354 0.108 842 2HD2 LEU 107 2HD2 LEU 107 -5.373 1.259 -0.612 843 3HD2 LEU 107 3HD2 LEU 107 -7.039 1.662 -1.023 844 H SER 108 H SER 108 -8.621 6.288 -0.263 845 HA SER 108 HA SER 108 -6.690 8.459 -0.494 846 1HB SER 108 2HB SER 108 -9.708 8.585 -0.263 847 2HB SER 108 1HB SER 108 -8.632 9.914 -0.699 848 HG SER 108 HG SER 108 -8.473 7.585 -2.224 849 H GLY 109 H GLY 109 -5.620 8.631 1.411 850 1HA GLY 109 2HA GLY 109 -6.900 8.211 3.942 851 2HA GLY 109 1HA GLY 109 -5.248 8.750 3.686 852 H ILE 110 H ILE 110 -8.576 9.945 3.293 853 HA ILE 110 HA ILE 110 -7.661 12.541 4.356 854 HB ILE 110 HB ILE 110 -9.583 13.569 3.188 855 1HG1 ILE 110 2HG1 ILE 110 -9.891 10.857 1.875 856 2HG1 ILE 110 1HG1 ILE 110 -10.988 11.526 3.082 857 1HG2 ILE 110 1HG2 ILE 110 -7.378 13.588 2.150 858 2HG2 ILE 110 2HG2 ILE 110 -8.640 13.456 0.927 859 3HG2 ILE 110 3HG2 ILE 110 -7.710 12.033 1.390 860 1HD1 ILE 110 1HD1 ILE 110 -11.508 13.363 1.546 861 2HD1 ILE 110 2HD1 ILE 110 -11.896 11.783 0.865 862 3HD1 ILE 110 3HD1 ILE 110 -10.446 12.642 0.339 863 H HIS 111 H HIS 111 -9.151 9.832 5.272 864 HA HIS 111 HA HIS 111 -10.702 11.206 7.318 865 1HB HIS 111 2HB HIS 111 -11.840 9.190 5.387 866 2HB HIS 111 1HB HIS 111 -12.538 9.416 6.988 867 HD1 HIS 111 1HD HIS 111 -13.280 10.336 3.745 868 HD2 HIS 111 2HD HIS 111 -12.895 12.511 7.268 869 HE1 HIS 111 1HE HIS 111 -14.555 12.467 3.372 870 HE2 HIS 111 2HE HIS 111 -14.501 13.655 5.594 871 HA PRO 112 HA PRO 112 -8.855 8.143 9.884 872 1HB PRO 112 2HB PRO 112 -11.185 8.191 11.657 873 2HB PRO 112 1HB PRO 112 -9.545 8.778 11.948 874 1HG PRO 112 2HG PRO 112 -11.640 10.454 11.640 875 2HG PRO 112 1HG PRO 112 -10.001 10.871 11.106 876 1HD PRO 112 2HD PRO 112 -12.328 9.881 9.490 877 2HD PRO 112 1HD PRO 112 -11.162 11.170 9.115 878 H TRP 113 H TRP 113 -9.544 6.142 11.262 879 HA TRP 113 HA TRP 113 -10.481 4.199 9.416 880 1HB TRP 113 2HB TRP 113 -8.730 3.806 11.170 881 2HB TRP 113 1HB TRP 113 -10.001 3.871 12.386 882 HD1 TRP 113 HD TRP 113 -12.124 1.946 11.687 883 HE1 TRP 113 1HE TRP 113 -11.736 -0.548 11.172 884 HE3 TRP 113 3HE TRP 113 -7.166 2.136 10.433 885 HZ2 TRP 113 2HZ TRP 113 -9.616 -2.205 10.334 886 HZ3 TRP 113 3HZ TRP 113 -6.037 0.049 9.792 887 HH2 TRP 113 HH TRP 113 -7.235 -2.076 9.747 888 H ALA 114 H ALA 114 -12.578 4.382 8.871 889 HA ALA 114 HA ALA 114 -14.538 3.317 10.607 890 1HB ALA 114 1HB ALA 114 -14.486 5.566 11.599 891 2HB ALA 114 2HB ALA 114 -16.032 5.234 10.821 892 3HB ALA 114 3HB ALA 114 -14.848 6.267 10.022 893 H GLU 115 H GLU 115 -14.018 5.428 7.813 894 HA GLU 115 HA GLU 115 -16.414 4.587 6.496 895 1HB GLU 115 2HB GLU 115 -14.064 6.258 5.633 896 2HB GLU 115 1HB GLU 115 -15.390 5.868 4.542 897 1HG GLU 115 2HG GLU 115 -16.967 6.978 5.956 898 2HG GLU 115 1HG GLU 115 -15.745 7.224 7.202 899 H LEU 116 H LEU 116 -13.580 2.984 6.946 900 HA LEU 116 HA LEU 116 -13.036 1.802 4.469 901 1HB LEU 116 2HB LEU 116 -12.701 0.852 7.298 902 2HB LEU 116 1HB LEU 116 -12.262 -0.167 5.943 903 HG LEU 116 HG LEU 116 -11.100 2.577 6.415 904 1HD1 LEU 116 1HD1 LEU 116 -10.493 1.062 8.235 905 2HD1 LEU 116 2HD1 LEU 116 -9.108 1.405 7.199 906 3HD1 LEU 116 3HD1 LEU 116 -9.952 -0.136 7.059 907 1HD2 LEU 116 1HD2 LEU 116 -10.277 0.304 4.608 908 2HD2 LEU 116 2HD2 LEU 116 -9.436 1.847 4.785 909 3HD2 LEU 116 3HD2 LEU 116 -11.059 1.799 4.090 910 H LEU 117 H LEU 117 -15.485 1.116 6.875 911 HA LEU 117 HA LEU 117 -16.308 -1.394 5.954 912 1HB LEU 117 2HB LEU 117 -17.613 0.786 7.528 913 2HB LEU 117 1HB LEU 117 -18.579 -0.570 6.978 914 HG LEU 117 HG LEU 117 -17.880 -0.961 9.248 915 1HD1 LEU 117 1HD1 LEU 117 -18.004 -2.901 7.788 916 2HD1 LEU 117 2HD1 LEU 117 -16.741 -3.102 9.003 917 3HD1 LEU 117 3HD1 LEU 117 -16.310 -2.688 7.344 918 1HD2 LEU 117 1HD2 LEU 117 -15.523 -1.149 9.878 919 2HD2 LEU 117 2HD2 LEU 117 -15.916 0.476 9.314 920 3HD2 LEU 117 3HD2 LEU 117 -15.049 -0.638 8.257 921 H THR 118 H THR 118 -17.334 1.859 5.016 922 HA THR 118 HA THR 118 -19.282 0.863 3.145 923 HB THR 118 HB THR 118 -18.186 3.671 3.411 924 HG1 THR 118 1HG THR 118 -19.127 3.140 5.358 925 1HG2 THR 118 1HG2 THR 118 -20.299 4.337 2.357 926 2HG2 THR 118 2HG2 THR 118 -20.754 2.641 2.194 927 3HG2 THR 118 3HG2 THR 118 -19.371 3.270 1.303 928 H LEU 119 H LEU 119 -16.033 2.280 2.948 929 HA LEU 119 HA LEU 119 -15.940 2.498 0.139 930 1HB LEU 119 2HB LEU 119 -13.716 2.251 2.158 931 2HB LEU 119 1HB LEU 119 -13.467 2.627 0.464 932 HG LEU 119 HG LEU 119 -15.007 4.325 2.433 933 1HD1 LEU 119 1HD1 LEU 119 -12.302 4.727 1.162 934 2HD1 LEU 119 2HD1 LEU 119 -12.611 4.350 2.858 935 3HD1 LEU 119 3HD1 LEU 119 -13.145 5.890 2.185 936 1HD2 LEU 119 1HD2 LEU 119 -15.089 5.972 0.643 937 2HD2 LEU 119 2HD2 LEU 119 -15.881 4.478 0.141 938 3HD2 LEU 119 3HD2 LEU 119 -14.260 4.857 -0.443 939 H MET 120 H MET 120 -14.727 -0.056 2.315 940 HA MET 120 HA MET 120 -13.542 -1.571 0.220 941 1HB MET 120 2HB MET 120 -14.352 -2.384 3.012 942 2HB MET 120 1HB MET 120 -13.433 -3.402 1.916 943 1HG MET 120 2HG MET 120 -12.540 -0.714 2.931 944 2HG MET 120 1HG MET 120 -12.051 -2.263 3.607 945 1HE MET 120 1HE MET 120 -12.310 -0.537 0.017 946 2HE MET 120 2HE MET 120 -10.586 -0.360 -0.310 947 3HE MET 120 3HE MET 120 -11.313 0.480 1.059 948 H ARG 121 H ARG 121 -16.769 -1.278 1.350 949 HA ARG 121 HA ARG 121 -17.738 -3.853 0.720 950 1HB ARG 121 2HB ARG 121 -18.838 -2.009 2.129 951 2HB ARG 121 1HB ARG 121 -19.378 -1.325 0.604 952 1HG ARG 121 2HG ARG 121 -19.976 -4.173 1.306 953 2HG ARG 121 1HG ARG 121 -20.970 -2.859 1.930 954 1HD ARG 121 2HD ARG 121 -21.660 -2.219 -0.227 955 2HD ARG 121 1HD ARG 121 -20.389 -3.164 -1.001 956 HE ARG 121 HE ARG 121 -21.996 -4.942 0.426 957 1HH1 ARG 121 1HH1 ARG 121 -22.361 -2.720 -2.255 958 2HH1 ARG 121 2HH1 ARG 121 -23.512 -3.714 -3.094 959 1HH2 ARG 121 1HH2 ARG 121 -23.496 -6.252 -0.661 960 2HH2 ARG 121 2HH2 ARG 121 -24.168 -5.731 -2.172 961 H SER 122 H SER 122 -17.211 -0.974 -1.203 962 HA SER 122 HA SER 122 -18.684 -1.898 -3.476 963 1HB SER 122 2HB SER 122 -18.302 0.502 -3.085 964 2HB SER 122 1HB SER 122 -16.567 0.262 -3.282 965 HG SER 122 HG SER 122 -18.243 -0.617 -5.344 966 H ILE 123 H ILE 123 -15.415 -2.240 -2.325 967 HA ILE 123 HA ILE 123 -14.456 -3.254 -4.867 968 HB ILE 123 HB ILE 123 -13.099 -2.991 -2.179 969 1HG1 ILE 123 2HG1 ILE 123 -12.800 -1.447 -4.764 970 2HG1 ILE 123 1HG1 ILE 123 -13.554 -0.862 -3.285 971 1HG2 ILE 123 1HG2 ILE 123 -11.936 -3.889 -4.812 972 2HG2 ILE 123 2HG2 ILE 123 -12.136 -4.873 -3.361 973 3HG2 ILE 123 3HG2 ILE 123 -11.007 -3.517 -3.361 974 1HD1 ILE 123 1HD1 ILE 123 -10.651 -1.584 -3.628 975 2HD1 ILE 123 2HD1 ILE 123 -11.400 -1.009 -2.138 976 3HD1 ILE 123 3HD1 ILE 123 -11.323 0.044 -3.549 977 H VAL 124 H VAL 124 -14.937 -4.508 -1.573 978 HA VAL 124 HA VAL 124 -15.473 -7.155 -2.602 979 HB VAL 124 HB VAL 124 -13.787 -8.119 -0.890 980 1HG1 VAL 124 1HG1 VAL 124 -11.984 -8.142 -2.554 981 2HG1 VAL 124 2HG1 VAL 124 -12.819 -6.876 -3.455 982 3HG1 VAL 124 3HG1 VAL 124 -13.561 -8.466 -3.275 983 1HG2 VAL 124 1HG2 VAL 124 -11.768 -6.770 -0.562 984 2HG2 VAL 124 2HG2 VAL 124 -13.184 -6.007 0.168 985 3HG2 VAL 124 3HG2 VAL 124 -12.553 -5.410 -1.368 986 H ASP 125 H ASP 125 -17.549 -6.590 -1.624 987 HA ASP 125 HA ASP 125 -17.770 -6.070 1.145 988 1HB ASP 125 2HB ASP 125 -20.099 -6.271 0.853 989 2HB ASP 125 1HB ASP 125 -19.504 -5.599 -0.651 990 H THR 126 H THR 126 -17.799 -8.981 -0.803 991 HA THR 126 HA THR 126 -16.984 -11.032 -0.304 992 HB THR 126 HB THR 126 -16.489 -9.954 2.472 993 HG1 THR 126 1HG THR 126 -15.267 -8.775 1.036 994 1HG2 THR 126 1HG2 THR 126 -14.852 -11.792 2.620 995 2HG2 THR 126 2HG2 THR 126 -15.398 -12.387 1.050 996 3HG2 THR 126 3HG2 THR 126 -16.502 -12.388 2.426 997 HA PRO 127 HA PRO 127 -20.701 -12.911 1.404 998 1HB PRO 127 2HB PRO 127 -19.540 -15.352 0.273 999 2HB PRO 127 1HB PRO 127 -21.072 -14.566 -0.117 1000 1HG PRO 127 2HG PRO 127 -18.995 -14.586 -1.838 1001 2HG PRO 127 1HG PRO 127 -20.130 -13.228 -1.736 1002 1HD PRO 127 2HD PRO 127 -17.376 -13.481 -0.579 1003 2HD PRO 127 1HD PRO 127 -18.137 -12.092 -1.387 1004 H ALA 128 H ALA 128 -20.951 -13.919 3.308 1005 HA ALA 128 HA ALA 128 -20.538 -15.017 5.245 1006 1HB ALA 128 1HB ALA 128 -18.138 -16.183 3.842 1007 2HB ALA 128 2HB ALA 128 -19.758 -16.880 3.867 1008 3HB ALA 128 3HB ALA 128 -18.832 -16.748 5.363 1009 H ALA 129 H ALA 129 -19.175 -12.415 4.388 1010 HA ALA 129 HA ALA 129 -16.834 -12.255 6.030 1011 1HB ALA 129 1HB ALA 129 -16.944 -9.852 5.618 1012 2HB ALA 129 2HB ALA 129 -18.543 -10.041 4.899 1013 3HB ALA 129 3HB ALA 129 -17.133 -10.762 4.122 1014 H GLN 130 H GLN 130 -16.645 -11.554 8.113 1015 HA GLN 130 HA GLN 130 -19.051 -11.735 9.693 1016 1HB GLN 130 2HB GLN 130 -17.524 -11.512 11.644 1017 2HB GLN 130 1HB GLN 130 -17.129 -12.850 10.578 1018 1HG GLN 130 2HG GLN 130 -15.729 -10.202 10.402 1019 2HG GLN 130 1HG GLN 130 -15.213 -11.471 11.511 1020 1HE2 GLN 130 1HE2 GLN 130 -14.423 -13.430 10.652 1021 2HE2 GLN 130 2HE2 GLN 130 -13.808 -13.511 9.038 1022 H GLU 131 H GLU 131 -19.838 -10.185 11.127 1023 HA GLU 131 HA GLU 131 -19.804 -7.540 10.042 1024 1HB GLU 131 2HB GLU 131 -21.840 -8.500 10.993 1025 2HB GLU 131 1HB GLU 131 -21.069 -8.623 12.568 1026 1HG GLU 131 2HG GLU 131 -20.816 -6.132 12.535 1027 2HG GLU 131 1HG GLU 131 -21.817 -6.119 11.084 1028 H THR 132 H THR 132 -17.812 -6.616 10.267 1029 HA THR 132 HA THR 132 -16.639 -6.394 12.919 1030 HB THR 132 HB THR 132 -15.649 -5.335 10.265 1031 HG1 THR 132 1HG THR 132 -15.671 -7.622 10.359 1032 1HG2 THR 132 1HG2 THR 132 -14.749 -4.086 12.173 1033 2HG2 THR 132 2HG2 THR 132 -13.499 -5.072 11.418 1034 3HG2 THR 132 3HG2 THR 132 -14.245 -5.596 12.927 1035 H VAL 133 H VAL 133 -17.945 -5.041 14.059 1036 HA VAL 133 HA VAL 133 -18.728 -2.493 12.869 1037 HB VAL 133 HB VAL 133 -20.082 -2.267 15.027 1038 1HG1 VAL 133 1HG1 VAL 133 -21.087 -2.788 12.882 1039 2HG1 VAL 133 2HG1 VAL 133 -21.872 -3.704 14.168 1040 3HG1 VAL 133 3HG1 VAL 133 -20.716 -4.499 13.101 1041 1HG2 VAL 133 1HG2 VAL 133 -20.629 -4.375 16.162 1042 2HG2 VAL 133 2HG2 VAL 133 -18.931 -3.944 16.352 1043 3HG2 VAL 133 3HG2 VAL 133 -19.398 -5.200 15.206 1044 H GLN 134 H GLN 134 -17.368 -0.884 13.105 1045 HA GLN 134 HA GLN 134 -16.253 -0.418 15.784 1046 1HB GLN 134 2HB GLN 134 -14.944 0.184 13.123 1047 2HB GLN 134 1HB GLN 134 -14.333 0.725 14.681 1048 1HG GLN 134 2HG GLN 134 -14.010 -1.565 15.386 1049 2HG GLN 134 1HG GLN 134 -14.702 -2.152 13.875 1050 1HE2 GLN 134 1HE2 GLN 134 -11.954 -0.676 15.398 1051 2HE2 GLN 134 2HE2 GLN 134 -10.856 -0.886 14.075 Start of MODEL 4 1 1H MET 1 1HT MET 1 15.330 4.236 23.442 2 2H MET 1 2HT MET 1 15.901 3.215 24.666 3 3H MET 1 3HT MET 1 14.324 3.017 24.069 4 HA MET 1 HA MET 1 16.855 2.563 22.597 5 1HB MET 1 2HB MET 1 16.334 0.791 24.203 6 2HB MET 1 1HB MET 1 14.710 0.649 23.546 7 1HG MET 1 2HG MET 1 15.680 -0.035 21.383 8 2HG MET 1 1HG MET 1 17.282 0.023 22.114 9 1HE MET 1 1HE MET 1 16.759 -1.121 25.024 10 2HE MET 1 2HE MET 1 18.113 -1.597 24.002 11 3HE MET 1 3HE MET 1 17.111 -2.831 24.766 12 H ALA 2 H ALA 2 16.657 3.171 20.577 13 HA ALA 2 HA ALA 2 14.344 2.274 19.041 14 1HB ALA 2 1HB ALA 2 13.727 4.551 19.741 15 2HB ALA 2 2HB ALA 2 13.993 4.460 17.999 16 3HB ALA 2 3HB ALA 2 15.226 5.167 19.042 17 H ASN 3 H ASN 3 15.541 0.928 17.799 18 HA ASN 3 HA ASN 3 18.066 1.721 16.678 19 1HB ASN 3 2HB ASN 3 16.324 -0.710 16.292 20 2HB ASN 3 1HB ASN 3 17.798 -0.458 15.366 21 1HD2 ASN 3 1HD2 ASN 3 18.859 -2.190 16.182 22 2HD2 ASN 3 2HD2 ASN 3 19.397 -2.302 17.821 23 H ASP 4 H ASP 4 14.855 1.004 15.358 24 HA ASP 4 HA ASP 4 15.664 2.347 12.878 25 1HB ASP 4 2HB ASP 4 13.662 0.147 13.383 26 2HB ASP 4 1HB ASP 4 13.712 1.053 11.876 27 H THR 5 H THR 5 15.071 4.393 13.109 28 HA THR 5 HA THR 5 12.436 5.111 14.120 29 HB THR 5 HB THR 5 14.450 6.980 12.864 30 HG1 THR 5 1HG THR 5 14.612 5.563 15.252 31 1HG2 THR 5 1HG2 THR 5 12.456 7.376 15.103 32 2HG2 THR 5 2HG2 THR 5 12.225 7.888 13.431 33 3HG2 THR 5 3HG2 THR 5 13.502 8.613 14.409 34 HA PRO 6 HA PRO 6 10.333 5.016 10.177 35 1HB PRO 6 2HB PRO 6 9.298 7.698 10.972 36 2HB PRO 6 1HB PRO 6 8.419 6.278 10.391 37 1HG PRO 6 2HG PRO 6 8.395 6.913 12.972 38 2HG PRO 6 1HG PRO 6 8.499 5.219 12.454 39 1HD PRO 6 2HD PRO 6 10.624 7.003 13.554 40 2HD PRO 6 1HD PRO 6 10.388 5.257 13.770 41 H PHE 7 H PHE 7 12.257 5.260 8.972 42 HA PHE 7 HA PHE 7 12.342 7.691 7.403 43 1HB PHE 7 2HB PHE 7 14.724 6.678 8.980 44 2HB PHE 7 1HB PHE 7 14.893 7.726 7.580 45 HD1 PHE 7 1HD PHE 7 13.609 9.969 7.672 46 HD2 PHE 7 2HD PHE 7 14.503 7.594 11.086 47 HE1 PHE 7 1HE PHE 7 13.343 11.945 9.114 48 HE2 PHE 7 2HE PHE 7 14.236 9.563 12.533 49 HZ PHE 7 HZ PHE 7 13.656 11.743 11.549 50 H SER 8 H SER 8 14.842 6.942 6.142 51 HA SER 8 HA SER 8 13.886 5.069 4.259 52 1HB SER 8 2HB SER 8 16.727 6.009 4.713 53 2HB SER 8 1HB SER 8 16.099 5.251 3.249 54 HG SER 8 HG SER 8 15.125 7.067 2.701 55 H ALA 9 H ALA 9 15.451 4.695 7.277 56 HA ALA 9 HA ALA 9 16.713 2.222 6.990 57 1HB ALA 9 1HB ALA 9 15.238 3.261 9.412 58 2HB ALA 9 2HB ALA 9 16.908 3.641 8.990 59 3HB ALA 9 3HB ALA 9 16.457 1.986 9.399 60 H LEU 10 H LEU 10 13.326 3.042 7.435 61 HA LEU 10 HA LEU 10 12.397 0.403 7.934 62 1HB LEU 10 2HB LEU 10 11.242 2.702 8.313 63 2HB LEU 10 1HB LEU 10 10.759 2.563 6.636 64 HG LEU 10 HG LEU 10 9.033 1.859 8.319 65 1HD1 LEU 10 1HD1 LEU 10 9.911 -0.275 6.381 66 2HD1 LEU 10 2HD1 LEU 10 8.906 1.123 5.994 67 3HD1 LEU 10 3HD1 LEU 10 8.308 -0.112 7.101 68 1HD2 LEU 10 1HD2 LEU 10 10.888 -0.483 8.717 69 2HD2 LEU 10 2HD2 LEU 10 9.263 -0.312 9.382 70 3HD2 LEU 10 3HD2 LEU 10 10.548 0.777 9.903 71 H TRP 11 H TRP 11 12.722 2.396 5.045 72 HA TRP 11 HA TRP 11 11.676 0.598 3.160 73 1HB TRP 11 2HB TRP 11 12.252 3.068 2.887 74 2HB TRP 11 1HB TRP 11 13.921 2.566 2.698 75 HD1 TRP 11 HD TRP 11 13.703 3.839 0.308 76 HE1 TRP 11 1HE TRP 11 12.934 2.978 -1.992 77 HE3 TRP 11 3HE TRP 11 11.167 -0.367 1.799 78 HZ2 TRP 11 2HZ TRP 11 11.477 0.821 -3.031 79 HZ3 TRP 11 3HZ TRP 11 10.117 -1.768 0.072 80 HH2 TRP 11 HH TRP 11 10.267 -1.183 -2.297 81 H GLN 12 H GLN 12 14.914 1.032 4.504 82 HA GLN 12 HA GLN 12 16.281 -0.896 2.999 83 1HB GLN 12 2HB GLN 12 17.464 0.698 4.383 84 2HB GLN 12 1HB GLN 12 16.718 0.050 5.837 85 1HG GLN 12 2HG GLN 12 17.893 -2.070 5.479 86 2HG GLN 12 1HG GLN 12 18.653 -1.394 4.038 87 1HE2 GLN 12 1HE2 GLN 12 20.266 0.140 4.262 88 2HE2 GLN 12 2HE2 GLN 12 21.058 0.436 5.767 89 H ARG 13 H ARG 13 14.407 -1.183 5.987 90 HA ARG 13 HA ARG 13 14.936 -3.882 6.532 91 1HB ARG 13 2HB ARG 13 12.517 -2.184 7.138 92 2HB ARG 13 1HB ARG 13 12.722 -3.821 7.741 93 1HG ARG 13 2HG ARG 13 14.581 -1.523 8.307 94 2HG ARG 13 1HG ARG 13 13.327 -2.120 9.396 95 1HD ARG 13 2HD ARG 13 14.455 -4.355 9.330 96 2HD ARG 13 1HD ARG 13 15.770 -3.598 8.430 97 HE ARG 13 HE ARG 13 15.541 -2.024 10.630 98 1HH1 ARG 13 1HH1 ARG 13 15.971 -5.482 10.158 99 2HH1 ARG 13 2HH1 ARG 13 16.736 -5.727 11.695 100 1HH2 ARG 13 1HH2 ARG 13 16.553 -2.331 12.638 101 2HH2 ARG 13 2HH2 ARG 13 17.109 -3.926 13.101 102 H LEU 14 H LEU 14 12.425 -2.359 4.550 103 HA LEU 14 HA LEU 14 11.077 -4.762 3.888 104 1HB LEU 14 2HB LEU 14 11.194 -2.211 2.273 105 2HB LEU 14 1HB LEU 14 9.981 -3.470 2.150 106 HG LEU 14 HG LEU 14 10.416 -1.645 4.512 107 1HD1 LEU 14 1HD1 LEU 14 8.240 -0.739 3.928 108 2HD1 LEU 14 2HD1 LEU 14 8.144 -1.826 2.542 109 3HD1 LEU 14 3HD1 LEU 14 9.374 -0.561 2.585 110 1HD2 LEU 14 1HD2 LEU 14 8.431 -2.679 5.466 111 2HD2 LEU 14 2HD2 LEU 14 9.705 -3.875 5.227 112 3HD2 LEU 14 3HD2 LEU 14 8.344 -3.800 4.107 113 H LEU 15 H LEU 15 13.691 -2.950 2.345 114 HA LEU 15 HA LEU 15 13.956 -4.588 0.068 115 1HB LEU 15 2HB LEU 15 16.015 -2.924 1.514 116 2HB LEU 15 1HB LEU 15 16.259 -3.660 -0.058 117 HG LEU 15 HG LEU 15 14.199 -1.551 0.587 118 1HD1 LEU 15 1HD1 LEU 15 15.586 -0.098 -0.809 119 2HD1 LEU 15 2HD1 LEU 15 16.779 -1.389 -0.960 120 3HD1 LEU 15 3HD1 LEU 15 16.457 -0.665 0.617 121 1HD2 LEU 15 1HD2 LEU 15 13.438 -3.069 -1.168 122 2HD2 LEU 15 2HD2 LEU 15 14.947 -2.822 -2.047 123 3HD2 LEU 15 3HD2 LEU 15 13.824 -1.479 -1.827 124 H THR 16 H THR 16 15.027 -4.951 3.355 125 HA THR 16 HA THR 16 16.879 -7.054 2.944 126 HB THR 16 HB THR 16 15.158 -6.520 5.380 127 HG1 THR 16 1HG THR 16 16.638 -4.776 4.583 128 1HG2 THR 16 1HG2 THR 16 16.938 -7.696 6.605 129 2HG2 THR 16 2HG2 THR 16 17.744 -8.050 5.078 130 3HG2 THR 16 3HG2 THR 16 16.158 -8.741 5.421 131 H ARG 17 H ARG 17 13.429 -7.023 3.828 132 HA ARG 17 HA ARG 17 12.785 -9.177 2.125 133 1HB ARG 17 2HB ARG 17 13.874 -10.563 3.822 134 2HB ARG 17 1HB ARG 17 12.858 -9.855 5.074 135 1HG ARG 17 2HG ARG 17 10.871 -10.758 3.894 136 2HG ARG 17 1HG ARG 17 11.962 -11.574 2.776 137 1HD ARG 17 2HD ARG 17 12.900 -12.879 4.572 138 2HD ARG 17 1HD ARG 17 11.944 -11.990 5.761 139 HE ARG 17 HE ARG 17 10.459 -13.368 3.669 140 1HH1 ARG 17 1HH1 ARG 17 11.660 -13.466 6.962 141 2HH1 ARG 17 2HH1 ARG 17 10.472 -14.618 7.489 142 1HH2 ARG 17 1HH2 ARG 17 8.913 -14.878 4.361 143 2HH2 ARG 17 2HH2 ARG 17 8.888 -15.394 6.023 144 H GLY 18 H GLY 18 10.910 -8.352 1.446 145 1HA GLY 18 2HA GLY 18 8.519 -8.623 2.474 146 2HA GLY 18 1HA GLY 18 9.056 -7.237 3.415 147 H TRP 19 H TRP 19 6.844 -7.408 1.561 148 HA TRP 19 HA TRP 19 5.815 -6.093 0.026 149 1HB TRP 19 2HB TRP 19 8.198 -4.324 0.599 150 2HB TRP 19 1HB TRP 19 6.859 -3.832 -0.428 151 HD1 TRP 19 HD TRP 19 6.911 -5.472 3.102 152 HE1 TRP 19 1HE TRP 19 5.403 -4.068 4.640 153 HE3 TRP 19 3HE TRP 19 5.543 -1.830 -0.208 154 HZ2 TRP 19 2HZ TRP 19 3.845 -1.721 4.476 155 HZ3 TRP 19 3HZ TRP 19 4.047 -0.037 0.561 156 HH2 TRP 19 HH TRP 19 3.215 0.016 2.854 157 H GLN 20 H GLN 20 6.794 -4.520 -2.059 158 HA GLN 20 HA GLN 20 8.665 -6.104 -3.595 159 1HB GLN 20 2HB GLN 20 6.538 -7.290 -3.933 160 2HB GLN 20 1HB GLN 20 5.776 -5.795 -4.448 161 1HG GLN 20 2HG GLN 20 6.256 -7.110 -6.375 162 2HG GLN 20 1HG GLN 20 7.335 -5.720 -6.371 163 1HE2 GLN 20 1HE2 GLN 20 9.525 -6.038 -6.164 164 2HE2 GLN 20 2HE2 GLN 20 10.262 -7.598 -6.236 165 HA PRO 21 HA PRO 21 9.200 -1.776 -4.898 166 1HB PRO 21 2HB PRO 21 11.601 -2.924 -6.163 167 2HB PRO 21 1HB PRO 21 11.471 -1.599 -5.004 168 1HG PRO 21 2HG PRO 21 12.490 -3.989 -4.320 169 2HG PRO 21 1HG PRO 21 11.556 -3.005 -3.179 170 1HD PRO 21 2HD PRO 21 10.704 -5.400 -4.758 171 2HD PRO 21 1HD PRO 21 10.314 -4.962 -3.082 172 H VAL 22 H VAL 22 7.546 -1.733 -6.407 173 HA VAL 22 HA VAL 22 7.830 -3.298 -8.844 174 HB VAL 22 HB VAL 22 5.525 -2.429 -9.362 175 1HG1 VAL 22 1HG1 VAL 22 5.915 -3.969 -6.804 176 2HG1 VAL 22 2HG1 VAL 22 5.860 -4.642 -8.435 177 3HG1 VAL 22 3HG1 VAL 22 4.420 -3.901 -7.734 178 1HG2 VAL 22 1HG2 VAL 22 5.553 -0.431 -7.983 179 2HG2 VAL 22 2HG2 VAL 22 5.719 -1.417 -6.529 180 3HG2 VAL 22 3HG2 VAL 22 4.237 -1.496 -7.484 181 H GLU 23 H GLU 23 6.948 -2.180 -10.841 182 HA GLU 23 HA GLU 23 7.889 0.540 -11.187 183 1HB GLU 23 2HB GLU 23 9.114 -1.761 -12.729 184 2HB GLU 23 1HB GLU 23 9.404 -0.059 -13.034 185 1HG GLU 23 2HG GLU 23 10.526 0.188 -10.927 186 2HG GLU 23 1HG GLU 23 10.117 -1.467 -10.472 187 H ALA 24 H ALA 24 7.353 1.328 -13.376 188 HA ALA 24 HA ALA 24 4.770 0.426 -14.187 189 1HB ALA 24 1HB ALA 24 4.942 2.137 -15.933 190 2HB ALA 24 2HB ALA 24 6.648 2.359 -15.549 191 3HB ALA 24 3HB ALA 24 5.415 2.775 -14.359 192 H SER 25 H SER 25 8.014 -0.212 -15.211 193 HA SER 25 HA SER 25 7.540 -1.116 -17.821 194 1HB SER 25 2HB SER 25 9.716 -2.104 -15.979 195 2HB SER 25 1HB SER 25 9.763 -1.971 -17.739 196 HG SER 25 HG SER 25 10.858 -0.226 -16.796 197 H THR 26 H THR 26 7.141 -2.714 -14.726 198 HA THR 26 HA THR 26 6.459 -5.192 -16.163 199 HB THR 26 HB THR 26 8.669 -5.417 -15.083 200 HG1 THR 26 1HG THR 26 6.524 -6.960 -14.023 201 1HG2 THR 26 1HG2 THR 26 8.396 -3.907 -13.210 202 2HG2 THR 26 2HG2 THR 26 8.791 -5.521 -12.616 203 3HG2 THR 26 3HG2 THR 26 7.131 -4.931 -12.533 204 H VAL 27 H VAL 27 5.013 -2.821 -14.684 205 HA VAL 27 HA VAL 27 3.666 -3.984 -12.481 206 HB VAL 27 HB VAL 27 3.795 -1.544 -12.810 207 1HG1 VAL 27 1HG1 VAL 27 3.473 -1.446 -15.225 208 2HG1 VAL 27 2HG1 VAL 27 2.317 -0.413 -14.384 209 3HG1 VAL 27 3HG1 VAL 27 1.800 -1.972 -15.026 210 1HG2 VAL 27 1HG2 VAL 27 2.089 -2.485 -11.335 211 2HG2 VAL 27 2HG2 VAL 27 0.970 -2.595 -12.693 212 3HG2 VAL 27 3HG2 VAL 27 1.510 -1.016 -12.122 213 H ASP 28 H ASP 28 3.008 -3.897 -15.921 214 HA ASP 28 HA ASP 28 0.369 -4.819 -15.931 215 1HB ASP 28 2HB ASP 28 1.338 -3.967 -17.959 216 2HB ASP 28 1HB ASP 28 2.609 -5.187 -17.930 217 H ASP 29 H ASP 29 3.392 -6.637 -16.233 218 HA ASP 29 HA ASP 29 2.255 -9.193 -16.345 219 1HB ASP 29 2HB ASP 29 4.536 -8.806 -17.056 220 2HB ASP 29 1HB ASP 29 4.999 -8.297 -15.436 221 H TRP 30 H TRP 30 3.427 -7.266 -13.650 222 HA TRP 30 HA TRP 30 3.265 -9.207 -11.647 223 1HB TRP 30 2HB TRP 30 4.346 -6.889 -11.552 224 2HB TRP 30 1HB TRP 30 2.734 -6.268 -11.212 225 HD1 TRP 30 HD TRP 30 5.317 -8.716 -9.694 226 HE1 TRP 30 1HE TRP 30 4.983 -8.754 -7.144 227 HE3 TRP 30 3HE TRP 30 1.194 -5.712 -9.372 228 HZ2 TRP 30 2HZ TRP 30 3.209 -7.645 -5.241 229 HZ3 TRP 30 3HZ TRP 30 0.244 -5.247 -7.152 230 HH2 TRP 30 HH TRP 30 1.229 -6.193 -5.132 231 H ILE 31 H ILE 31 0.889 -6.704 -12.558 232 HA ILE 31 HA ILE 31 -1.083 -7.444 -10.704 233 HB ILE 31 HB ILE 31 -1.414 -6.065 -13.375 234 1HG1 ILE 31 2HG1 ILE 31 0.023 -4.845 -11.830 235 2HG1 ILE 31 1HG1 ILE 31 -1.523 -4.017 -12.002 236 1HG2 ILE 31 1HG2 ILE 31 -3.567 -5.276 -12.531 237 2HG2 ILE 31 2HG2 ILE 31 -3.364 -6.263 -11.084 238 3HG2 ILE 31 3HG2 ILE 31 -3.530 -7.033 -12.662 239 1HD1 ILE 31 1HD1 ILE 31 -0.782 -4.030 -9.694 240 2HD1 ILE 31 2HD1 ILE 31 -0.713 -5.791 -9.712 241 3HD1 ILE 31 3HD1 ILE 31 -2.263 -4.968 -9.880 242 H LYS 32 H LYS 32 -0.559 -8.473 -14.049 243 HA LYS 32 HA LYS 32 -2.893 -10.011 -14.349 244 1HB LYS 32 2HB LYS 32 -0.181 -10.107 -15.626 245 2HB LYS 32 1HB LYS 32 -1.424 -11.279 -16.039 246 1HG LYS 32 2HG LYS 32 -2.859 -9.534 -16.816 247 2HG LYS 32 1HG LYS 32 -1.726 -8.299 -16.290 248 1HD LYS 32 2HD LYS 32 -0.210 -8.862 -17.911 249 2HD LYS 32 1HD LYS 32 -0.896 -10.454 -18.175 250 1HE LYS 32 2HE LYS 32 -1.375 -8.966 -20.053 251 2HE LYS 32 1HE LYS 32 -2.855 -9.435 -19.220 252 1HZ LYS 32 1HZ LYS 32 -2.723 -7.046 -19.828 253 2HZ LYS 32 2HZ LYS 32 -1.435 -6.865 -18.742 254 3HZ LYS 32 3HZ LYS 32 -2.968 -7.314 -18.176 255 H ARG 33 H ARG 33 0.357 -10.903 -13.349 256 HA ARG 33 HA ARG 33 -0.144 -13.685 -13.165 257 1HB ARG 33 2HB ARG 33 2.107 -12.283 -13.206 258 2HB ARG 33 1HB ARG 33 1.966 -12.459 -11.464 259 1HG ARG 33 2HG ARG 33 1.634 -14.961 -11.952 260 2HG ARG 33 1HG ARG 33 2.297 -14.583 -13.542 261 1HD ARG 33 2HD ARG 33 4.175 -15.214 -12.343 262 2HD ARG 33 1HD ARG 33 4.206 -13.455 -12.216 263 HE ARG 33 HE ARG 33 2.897 -14.910 -10.062 264 1HH1 ARG 33 1HH1 ARG 33 5.699 -13.152 -11.198 265 2HH1 ARG 33 2HH1 ARG 33 6.418 -13.021 -9.615 266 1HH2 ARG 33 1HH2 ARG 33 3.817 -14.744 -7.980 267 2HH2 ARG 33 2HH2 ARG 33 5.354 -13.947 -7.786 268 H VAL 34 H VAL 34 -0.066 -11.135 -10.684 269 HA VAL 34 HA VAL 34 -0.566 -13.104 -8.616 270 HB VAL 34 HB VAL 34 -0.421 -11.304 -7.014 271 1HG1 VAL 34 1HG1 VAL 34 1.870 -10.550 -7.458 272 2HG1 VAL 34 2HG1 VAL 34 1.719 -11.106 -9.125 273 3HG1 VAL 34 3HG1 VAL 34 1.656 -12.266 -7.798 274 1HG2 VAL 34 1HG2 VAL 34 -0.249 -9.432 -9.371 275 2HG2 VAL 34 2HG2 VAL 34 0.010 -8.987 -7.684 276 3HG2 VAL 34 3HG2 VAL 34 -1.578 -9.542 -8.216 277 H GLY 35 H GLY 35 -2.361 -10.566 -10.251 278 1HA GLY 35 2HA GLY 35 -4.675 -10.495 -10.558 279 2HA GLY 35 1HA GLY 35 -4.845 -11.786 -9.379 280 H ASP 36 H ASP 36 -3.725 -10.868 -7.169 281 HA ASP 36 HA ASP 36 -5.252 -8.422 -6.554 282 1HB ASP 36 2HB ASP 36 -4.853 -10.932 -4.935 283 2HB ASP 36 1HB ASP 36 -5.277 -9.412 -4.162 284 H GLY 37 H GLY 37 -4.074 -6.751 -5.960 285 1HA GLY 37 2HA GLY 37 -1.975 -6.885 -4.071 286 2HA GLY 37 1HA GLY 37 -1.296 -6.780 -5.687 287 H VAL 38 H VAL 38 -0.642 -4.779 -4.088 288 HA VAL 38 HA VAL 38 -2.237 -2.552 -5.144 289 HB VAL 38 HB VAL 38 -1.882 -1.314 -2.984 290 1HG1 VAL 38 1HG1 VAL 38 -4.048 -2.239 -3.531 291 2HG1 VAL 38 2HG1 VAL 38 -3.735 -2.405 -1.805 292 3HG1 VAL 38 3HG1 VAL 38 -3.573 -3.801 -2.869 293 1HG2 VAL 38 1HG2 VAL 38 -1.175 -4.059 -1.957 294 2HG2 VAL 38 2HG2 VAL 38 -1.482 -2.637 -0.957 295 3HG2 VAL 38 3HG2 VAL 38 -0.095 -2.667 -2.048 296 H ILE 39 H ILE 39 -1.058 -0.925 -5.972 297 HA ILE 39 HA ILE 39 1.848 -0.961 -5.517 298 HB ILE 39 HB ILE 39 0.222 0.368 -7.700 299 1HG1 ILE 39 2HG1 ILE 39 1.791 -0.967 -9.182 300 2HG1 ILE 39 1HG1 ILE 39 2.323 -1.813 -7.737 301 1HG2 ILE 39 1HG2 ILE 39 3.178 0.633 -7.169 302 2HG2 ILE 39 2HG2 ILE 39 1.969 1.906 -7.009 303 3HG2 ILE 39 3HG2 ILE 39 2.335 1.234 -8.599 304 1HD1 ILE 39 1HD1 ILE 39 0.023 -2.605 -7.387 305 2HD1 ILE 39 2HD1 ILE 39 0.685 -3.113 -8.942 306 3HD1 ILE 39 3HD1 ILE 39 -0.468 -1.781 -8.868 307 H LEU 40 H LEU 40 2.499 0.345 -3.934 308 HA LEU 40 HA LEU 40 0.939 2.671 -3.179 309 1HB LEU 40 2HB LEU 40 2.414 0.945 -1.735 310 2HB LEU 40 1HB LEU 40 3.633 2.167 -2.025 311 HG LEU 40 HG LEU 40 0.970 2.632 -0.671 312 1HD1 LEU 40 1HD1 LEU 40 3.763 2.532 0.449 313 2HD1 LEU 40 2HD1 LEU 40 2.500 1.327 0.698 314 3HD1 LEU 40 3HD1 LEU 40 2.305 2.955 1.346 315 1HD2 LEU 40 1HD2 LEU 40 3.294 4.507 -1.080 316 2HD2 LEU 40 2HD2 LEU 40 1.842 4.847 -0.138 317 3HD2 LEU 40 3HD2 LEU 40 1.727 4.611 -1.883 318 H LEU 41 H LEU 41 1.225 4.595 -4.059 319 HA LEU 41 HA LEU 41 3.510 5.095 -5.771 320 1HB LEU 41 2HB LEU 41 0.898 6.444 -5.268 321 2HB LEU 41 1HB LEU 41 2.207 7.375 -5.966 322 HG LEU 41 HG LEU 41 2.315 5.851 -7.871 323 1HD1 LEU 41 1HD1 LEU 41 1.640 3.788 -6.772 324 2HD1 LEU 41 2HD1 LEU 41 0.631 4.112 -8.183 325 3HD1 LEU 41 3HD1 LEU 41 0.008 4.422 -6.562 326 1HD2 LEU 41 1HD2 LEU 41 0.157 6.408 -8.876 327 2HD2 LEU 41 2HD2 LEU 41 0.838 7.775 -7.993 328 3HD2 LEU 41 3HD2 LEU 41 -0.473 6.832 -7.284 329 H SER 42 H SER 42 5.302 5.595 -4.706 330 HA SER 42 HA SER 42 6.830 6.853 -3.617 331 1HB SER 42 2HB SER 42 5.683 8.704 -4.865 332 2HB SER 42 1HB SER 42 4.669 8.971 -3.449 333 HG SER 42 HG SER 42 6.328 10.365 -3.203 334 H SER 43 H SER 43 6.847 8.490 -1.520 335 HA SER 43 HA SER 43 5.070 7.676 0.590 336 1HB SER 43 2HB SER 43 8.009 6.941 0.764 337 2HB SER 43 1HB SER 43 6.842 6.804 2.078 338 HG SER 43 HG SER 43 5.881 5.548 -0.082 339 H ASP 44 H ASP 44 8.321 8.974 0.068 340 HA ASP 44 HA ASP 44 9.364 10.889 0.635 341 1HB ASP 44 2HB ASP 44 7.624 11.863 -0.825 342 2HB ASP 44 1HB ASP 44 6.587 12.081 0.581 343 HA PRO 45 HA PRO 45 8.649 10.253 5.116 344 1HB PRO 45 2HB PRO 45 11.320 10.703 5.680 345 2HB PRO 45 1HB PRO 45 10.618 9.114 5.357 346 1HG PRO 45 2HG PRO 45 12.128 10.929 3.529 347 2HG PRO 45 1HG PRO 45 12.185 9.162 3.660 348 1HD PRO 45 2HD PRO 45 10.844 10.394 1.683 349 2HD PRO 45 1HD PRO 45 10.267 8.877 2.402 350 H ARG 46 H ARG 46 7.794 11.965 6.086 351 HA ARG 46 HA ARG 46 9.300 14.443 6.247 352 1HB ARG 46 2HB ARG 46 7.982 14.575 4.119 353 2HB ARG 46 1HB ARG 46 6.515 14.423 5.072 354 1HG ARG 46 2HG ARG 46 6.902 16.519 6.144 355 2HG ARG 46 1HG ARG 46 8.514 16.642 5.434 356 1HD ARG 46 2HD ARG 46 7.473 16.692 3.188 357 2HD ARG 46 1HD ARG 46 5.886 16.681 3.955 358 HE ARG 46 HE ARG 46 6.285 18.873 4.748 359 1HH1 ARG 46 1HH1 ARG 46 8.845 17.662 2.678 360 2HH1 ARG 46 2HH1 ARG 46 9.465 19.250 2.325 361 1HH2 ARG 46 1HH2 ARG 46 7.102 20.956 4.266 362 2HH2 ARG 46 2HH2 ARG 46 8.493 21.101 3.225 363 H ARG 47 H ARG 47 5.827 13.919 6.630 364 HA ARG 47 HA ARG 47 5.824 13.134 9.298 365 1HB ARG 47 2HB ARG 47 6.766 15.451 9.638 366 2HB ARG 47 1HB ARG 47 5.233 16.087 9.048 367 1HG ARG 47 2HG ARG 47 4.056 14.974 10.866 368 2HG ARG 47 1HG ARG 47 5.579 14.302 11.449 369 1HD ARG 47 2HD ARG 47 4.828 17.221 11.313 370 2HD ARG 47 1HD ARG 47 4.949 16.232 12.767 371 HE ARG 47 HE ARG 47 7.068 17.571 11.438 372 1HH1 ARG 47 1HH1 ARG 47 6.381 14.584 13.151 373 2HH1 ARG 47 2HH1 ARG 47 8.003 14.404 13.742 374 1HH2 ARG 47 1HH2 ARG 47 9.210 17.321 12.247 375 2HH2 ARG 47 2HH2 ARG 47 9.587 15.942 13.239 376 H THR 48 H THR 48 4.165 11.853 8.663 377 HA THR 48 HA THR 48 1.703 12.771 7.593 378 HB THR 48 HB THR 48 2.124 10.370 9.395 379 HG1 THR 48 1HG THR 48 2.867 9.273 7.609 380 1HG2 THR 48 1HG2 THR 48 0.232 10.807 7.077 381 2HG2 THR 48 2HG2 THR 48 -0.212 10.866 8.782 382 3HG2 THR 48 3HG2 THR 48 0.350 9.354 8.068 383 HA PRO 49 HA PRO 49 -0.084 14.608 11.337 384 1HB PRO 49 2HB PRO 49 -2.731 14.170 10.796 385 2HB PRO 49 1HB PRO 49 -1.788 15.474 10.069 386 1HG PRO 49 2HG PRO 49 -2.498 12.794 8.941 387 2HG PRO 49 1HG PRO 49 -2.520 14.382 8.152 388 1HD PRO 49 2HD PRO 49 -0.509 12.646 7.762 389 2HD PRO 49 1HD PRO 49 -0.228 14.397 7.830 390 H GLU 50 H GLU 50 0.928 12.056 11.634 391 HA GLU 50 HA GLU 50 -0.409 10.958 13.828 392 1HB GLU 50 2HB GLU 50 -1.847 10.263 11.692 393 2HB GLU 50 1HB GLU 50 -0.576 9.069 11.497 394 1HG GLU 50 2HG GLU 50 -2.155 9.368 14.035 395 2HG GLU 50 1HG GLU 50 -2.655 8.323 12.708 396 H VAL 51 H VAL 51 0.999 9.373 14.789 397 HA VAL 51 HA VAL 51 3.694 9.651 13.850 398 HB VAL 51 HB VAL 51 4.282 8.180 15.815 399 1HG1 VAL 51 1HG1 VAL 51 4.345 10.617 15.922 400 2HG1 VAL 51 2HG1 VAL 51 3.808 9.935 17.457 401 3HG1 VAL 51 3HG1 VAL 51 2.635 10.651 16.350 402 1HG2 VAL 51 1HG2 VAL 51 2.574 7.774 17.496 403 2HG2 VAL 51 2HG2 VAL 51 2.133 6.987 15.981 404 3HG2 VAL 51 3HG2 VAL 51 1.349 8.496 16.453 405 H SER 52 H SER 52 2.792 8.538 11.780 406 HA SER 52 HA SER 52 4.005 5.888 11.752 407 1HB SER 52 2HB SER 52 1.252 6.431 10.603 408 2HB SER 52 1HB SER 52 2.155 4.927 10.437 409 HG SER 52 HG SER 52 0.682 5.892 12.557 410 H ASP 53 H ASP 53 5.175 8.164 10.889 411 HA ASP 53 HA ASP 53 4.777 8.826 8.177 412 1HB ASP 53 2HB ASP 53 6.070 10.248 9.708 413 2HB ASP 53 1HB ASP 53 7.294 8.994 9.860 414 H ASN 54 H ASN 54 6.053 8.205 6.322 415 HA ASN 54 HA ASN 54 6.928 6.669 4.888 416 1HB ASN 54 2HB ASN 54 8.110 5.727 7.468 417 2HB ASN 54 1HB ASN 54 8.183 4.650 6.077 418 1HD2 ASN 54 1HD2 ASN 54 9.162 7.782 7.330 419 2HD2 ASN 54 2HD2 ASN 54 10.451 8.021 6.206 420 HA PRO 55 HA PRO 55 3.916 3.475 4.492 421 1HB PRO 55 2HB PRO 55 5.196 1.272 3.569 422 2HB PRO 55 1HB PRO 55 4.945 2.720 2.589 423 1HG PRO 55 2HG PRO 55 7.379 1.869 4.118 424 2HG PRO 55 1HG PRO 55 7.267 2.512 2.469 425 1HD PRO 55 2HD PRO 55 7.976 4.058 4.554 426 2HD PRO 55 1HD PRO 55 7.020 4.690 3.199 427 H VAL 56 H VAL 56 4.856 3.632 7.185 428 HA VAL 56 HA VAL 56 5.110 0.901 8.149 429 HB VAL 56 HB VAL 56 4.784 3.470 9.720 430 1HG1 VAL 56 1HG1 VAL 56 5.672 2.186 11.602 431 2HG1 VAL 56 2HG1 VAL 56 5.721 0.741 10.595 432 3HG1 VAL 56 3HG1 VAL 56 4.172 1.484 10.997 433 1HG2 VAL 56 1HG2 VAL 56 7.204 3.359 10.073 434 2HG2 VAL 56 2HG2 VAL 56 6.805 3.537 8.365 435 3HG2 VAL 56 3HG2 VAL 56 7.298 1.965 8.997 436 H MET 57 H MET 57 2.724 3.476 8.032 437 HA MET 57 HA MET 57 0.816 2.319 9.752 438 1HB MET 57 2HB MET 57 0.948 4.725 8.959 439 2HB MET 57 1HB MET 57 0.251 4.181 7.443 440 1HG MET 57 2HG MET 57 -1.119 3.714 10.071 441 2HG MET 57 1HG MET 57 -1.303 5.217 9.176 442 1HE MET 57 1HE MET 57 -3.957 4.879 9.117 443 2HE MET 57 2HE MET 57 -3.739 3.402 10.059 444 3HE MET 57 3HE MET 57 -4.716 3.377 8.591 445 H ILE 58 H ILE 58 1.435 1.970 6.313 446 HA ILE 58 HA ILE 58 -0.968 0.750 5.548 447 HB ILE 58 HB ILE 58 1.805 0.499 4.365 448 1HG1 ILE 58 2HG1 ILE 58 0.602 1.836 2.503 449 2HG1 ILE 58 1HG1 ILE 58 -0.627 2.156 3.722 450 1HG2 ILE 58 1HG2 ILE 58 0.734 -0.464 2.369 451 2HG2 ILE 58 2HG2 ILE 58 -0.797 -0.539 3.242 452 3HG2 ILE 58 3HG2 ILE 58 0.576 -1.504 3.784 453 1HD1 ILE 58 1HD1 ILE 58 2.288 2.886 3.937 454 2HD1 ILE 58 2HD1 ILE 58 1.026 3.254 5.115 455 3HD1 ILE 58 3HD1 ILE 58 0.970 3.983 3.512 456 H ALA 59 H ALA 59 1.875 -0.534 7.121 457 HA ALA 59 HA ALA 59 1.424 -3.279 6.656 458 1HB ALA 59 1HB ALA 59 3.565 -2.329 7.469 459 2HB ALA 59 2HB ALA 59 2.992 -3.685 8.440 460 3HB ALA 59 3HB ALA 59 2.802 -2.034 9.033 461 H GLU 60 H GLU 60 0.300 -1.078 9.170 462 HA GLU 60 HA GLU 60 -0.970 -3.126 10.718 463 1HB GLU 60 2HB GLU 60 -0.187 -0.966 11.679 464 2HB GLU 60 1HB GLU 60 -1.435 -0.137 10.761 465 1HG GLU 60 2HG GLU 60 -2.134 -0.414 13.047 466 2HG GLU 60 1HG GLU 60 -3.151 -1.389 11.988 467 H LEU 61 H LEU 61 -1.946 -0.852 8.225 468 HA LEU 61 HA LEU 61 -4.723 -1.231 8.291 469 1HB LEU 61 2HB LEU 61 -3.070 0.317 6.843 470 2HB LEU 61 1HB LEU 61 -3.364 -0.937 5.659 471 HG LEU 61 HG LEU 61 -4.847 0.989 5.350 472 1HD1 LEU 61 1HD1 LEU 61 -6.307 -1.488 6.246 473 2HD1 LEU 61 2HD1 LEU 61 -5.616 -1.212 4.646 474 3HD1 LEU 61 3HD1 LEU 61 -6.959 -0.216 5.213 475 1HD2 LEU 61 1HD2 LEU 61 -5.938 0.261 8.062 476 2HD2 LEU 61 2HD2 LEU 61 -6.597 1.476 6.968 477 3HD2 LEU 61 3HD2 LEU 61 -4.998 1.704 7.675 478 H LEU 62 H LEU 62 -2.150 -2.997 6.647 479 HA LEU 62 HA LEU 62 -3.648 -4.844 5.201 480 1HB LEU 62 2HB LEU 62 -1.145 -4.442 5.152 481 2HB LEU 62 1HB LEU 62 -1.034 -5.410 6.604 482 HG LEU 62 HG LEU 62 -2.170 -6.507 4.030 483 1HD1 LEU 62 1HD1 LEU 62 0.033 -7.467 3.611 484 2HD1 LEU 62 2HD1 LEU 62 0.678 -6.619 5.017 485 3HD1 LEU 62 3HD1 LEU 62 0.104 -5.704 3.622 486 1HD2 LEU 62 1HD2 LEU 62 -0.965 -7.838 6.458 487 2HD2 LEU 62 2HD2 LEU 62 -1.577 -8.660 5.022 488 3HD2 LEU 62 3HD2 LEU 62 -2.683 -7.769 6.069 489 H ARG 63 H ARG 63 -2.620 -4.888 8.579 490 HA ARG 63 HA ARG 63 -3.435 -7.566 9.085 491 1HB ARG 63 2HB ARG 63 -3.012 -5.336 11.078 492 2HB ARG 63 1HB ARG 63 -3.003 -7.061 11.418 493 1HG ARG 63 2HG ARG 63 -1.014 -7.300 9.979 494 2HG ARG 63 1HG ARG 63 -1.003 -5.549 9.753 495 1HD ARG 63 2HD ARG 63 0.564 -6.098 11.478 496 2HD ARG 63 1HD ARG 63 -0.818 -5.295 12.222 497 HE ARG 63 HE ARG 63 -0.538 -8.233 12.215 498 1HH1 ARG 63 1HH1 ARG 63 -1.150 -5.200 13.864 499 2HH1 ARG 63 2HH1 ARG 63 -1.447 -5.946 15.401 500 1HH2 ARG 63 1HH2 ARG 63 -0.925 -9.229 14.252 501 2HH2 ARG 63 2HH2 ARG 63 -1.330 -8.237 15.625 502 H GLU 64 H GLU 64 -5.142 -4.643 8.811 503 HA GLU 64 HA GLU 64 -7.371 -5.587 10.432 504 1HB GLU 64 2HB GLU 64 -6.808 -2.977 9.037 505 2HB GLU 64 1HB GLU 64 -8.336 -3.333 9.824 506 1HG GLU 64 2HG GLU 64 -5.637 -3.244 11.141 507 2HG GLU 64 1HG GLU 64 -6.905 -2.025 11.265 508 H PHE 65 H PHE 65 -6.323 -6.167 7.403 509 HA PHE 65 HA PHE 65 -9.058 -6.259 6.323 510 1HB PHE 65 2HB PHE 65 -6.685 -5.257 5.155 511 2HB PHE 65 1HB PHE 65 -7.082 -6.741 4.303 512 HD1 PHE 65 1HD PHE 65 -9.211 -6.964 3.131 513 HD2 PHE 65 2HD PHE 65 -8.038 -3.298 4.934 514 HE1 PHE 65 1HE PHE 65 -10.923 -5.777 1.816 515 HE2 PHE 65 2HE PHE 65 -9.742 -2.101 3.622 516 HZ PHE 65 HZ PHE 65 -11.192 -3.344 2.064 517 HA PRO 66 HA PRO 66 -8.021 -10.698 6.608 518 1HB PRO 66 2HB PRO 66 -10.182 -11.505 7.948 519 2HB PRO 66 1HB PRO 66 -8.843 -10.709 8.783 520 1HG PRO 66 2HG PRO 66 -11.508 -9.633 8.019 521 2HG PRO 66 1HG PRO 66 -10.508 -9.265 9.434 522 1HD PRO 66 2HD PRO 66 -10.710 -7.736 7.069 523 2HD PRO 66 1HD PRO 66 -9.514 -7.529 8.363 524 H GLN 67 H GLN 67 -9.729 -8.873 4.721 525 HA GLN 67 HA GLN 67 -11.940 -10.510 3.931 526 1HB GLN 67 2HB GLN 67 -10.677 -8.041 2.753 527 2HB GLN 67 1HB GLN 67 -12.051 -8.842 2.007 528 1HG GLN 67 2HG GLN 67 -12.003 -7.741 4.805 529 2HG GLN 67 1HG GLN 67 -12.692 -6.925 3.402 530 1HE2 GLN 67 1HE2 GLN 67 -13.055 -9.547 5.661 531 2HE2 GLN 67 2HE2 GLN 67 -14.693 -9.942 5.256 532 H PHE 68 H PHE 68 -8.663 -9.977 2.733 533 HA PHE 68 HA PHE 68 -8.787 -12.414 1.242 534 1HB PHE 68 2HB PHE 68 -8.051 -11.209 -0.925 535 2HB PHE 68 1HB PHE 68 -9.760 -11.268 -0.523 536 HD1 PHE 68 1HD PHE 68 -7.252 -8.940 0.971 537 HD2 PHE 68 2HD PHE 68 -10.518 -9.440 -1.721 538 HE1 PHE 68 1HE PHE 68 -7.400 -6.504 0.691 539 HE2 PHE 68 2HE PHE 68 -10.674 -7.005 -1.988 540 HZ PHE 68 HZ PHE 68 -9.116 -5.534 -0.787 541 H ASP 69 H ASP 69 -6.736 -12.547 -0.214 542 HA ASP 69 HA ASP 69 -4.440 -11.730 1.430 543 1HB ASP 69 2HB ASP 69 -4.608 -14.101 1.460 544 2HB ASP 69 1HB ASP 69 -4.992 -14.175 -0.252 545 H TRP 70 H TRP 70 -3.149 -10.248 0.505 546 HA TRP 70 HA TRP 70 -2.937 -10.137 -2.389 547 1HB TRP 70 2HB TRP 70 -3.394 -7.695 -2.411 548 2HB TRP 70 1HB TRP 70 -4.795 -8.672 -2.017 549 HD1 TRP 70 HD TRP 70 -3.140 -8.632 1.160 550 HE1 TRP 70 1HE TRP 70 -3.946 -6.709 2.656 551 HE3 TRP 70 3HE TRP 70 -5.390 -5.735 -2.394 552 HZ2 TRP 70 2HZ TRP 70 -5.348 -4.281 2.375 553 HZ3 TRP 70 3HZ TRP 70 -6.443 -3.622 -1.695 554 HH2 TRP 70 HH TRP 70 -6.422 -2.912 0.641 555 H GLN 71 H GLN 71 -1.157 -9.001 -3.179 556 HA GLN 71 HA GLN 71 1.045 -8.890 -1.276 557 1HB GLN 71 2HB GLN 71 0.976 -8.762 -4.297 558 2HB GLN 71 1HB GLN 71 2.447 -8.604 -3.353 559 1HG GLN 71 2HG GLN 71 2.335 -10.830 -4.163 560 2HG GLN 71 1HG GLN 71 2.018 -10.878 -2.430 561 1HE2 GLN 71 1HE2 GLN 71 0.606 -11.167 -5.605 562 2HE2 GLN 71 2HE2 GLN 71 -0.836 -11.975 -5.106 563 H VAL 72 H VAL 72 1.754 -7.051 -0.449 564 HA VAL 72 HA VAL 72 0.784 -4.528 -1.540 565 HB VAL 72 HB VAL 72 2.350 -5.045 0.995 566 1HG1 VAL 72 1HG1 VAL 72 0.868 -2.585 0.062 567 2HG1 VAL 72 2HG1 VAL 72 2.620 -2.761 0.152 568 3HG1 VAL 72 3HG1 VAL 72 1.654 -2.782 1.629 569 1HG2 VAL 72 1HG2 VAL 72 -0.601 -4.584 0.585 570 2HG2 VAL 72 2HG2 VAL 72 0.214 -4.718 2.143 571 3HG2 VAL 72 3HG2 VAL 72 0.157 -6.106 1.056 572 H ALA 73 H ALA 73 1.975 -3.340 -2.851 573 HA ALA 73 HA ALA 73 4.894 -3.734 -2.869 574 1HB ALA 73 1HB ALA 73 3.097 -3.192 -5.232 575 2HB ALA 73 2HB ALA 73 3.828 -4.745 -4.829 576 3HB ALA 73 3HB ALA 73 4.851 -3.380 -5.279 577 H VAL 74 H VAL 74 6.086 -1.854 -3.767 578 HA VAL 74 HA VAL 74 4.736 0.715 -3.493 579 HB VAL 74 HB VAL 74 5.438 0.350 -1.222 580 1HG1 VAL 74 1HG1 VAL 74 8.172 -0.278 -2.327 581 2HG1 VAL 74 2HG1 VAL 74 7.055 -1.417 -1.575 582 3HG1 VAL 74 3HG1 VAL 74 7.772 -0.121 -0.617 583 1HG2 VAL 74 1HG2 VAL 74 7.403 2.185 -2.597 584 2HG2 VAL 74 2HG2 VAL 74 7.042 2.178 -0.870 585 3HG2 VAL 74 3HG2 VAL 74 5.786 2.613 -2.030 586 H ALA 75 H ALA 75 5.645 2.322 -4.703 587 HA ALA 75 HA ALA 75 7.831 1.539 -6.482 588 1HB ALA 75 1HB ALA 75 7.184 3.486 -7.813 589 2HB ALA 75 2HB ALA 75 5.996 3.934 -6.592 590 3HB ALA 75 3HB ALA 75 5.798 2.439 -7.504 591 H ASP 76 H ASP 76 9.812 2.428 -6.405 592 HA ASP 76 HA ASP 76 10.522 3.757 -3.979 593 1HB ASP 76 2HB ASP 76 11.967 2.034 -4.889 594 2HB ASP 76 1HB ASP 76 12.210 2.969 -6.359 595 H LEU 77 H LEU 77 9.405 5.717 -4.208 596 HA LEU 77 HA LEU 77 9.416 7.952 -4.209 597 1HB LEU 77 2HB LEU 77 12.267 7.573 -5.102 598 2HB LEU 77 1HB LEU 77 11.570 9.115 -4.643 599 HG LEU 77 HG LEU 77 11.888 6.716 -2.838 600 1HD1 LEU 77 1HD1 LEU 77 14.003 7.819 -3.356 601 2HD1 LEU 77 2HD1 LEU 77 13.534 8.084 -1.677 602 3HD1 LEU 77 3HD1 LEU 77 13.318 9.369 -2.867 603 1HD2 LEU 77 1HD2 LEU 77 9.898 7.977 -2.262 604 2HD2 LEU 77 2HD2 LEU 77 10.820 9.480 -2.273 605 3HD2 LEU 77 3HD2 LEU 77 11.158 8.249 -1.056 606 H GLU 78 H GLU 78 11.518 7.344 -6.953 607 HA GLU 78 HA GLU 78 10.238 9.459 -8.433 608 1HB GLU 78 2HB GLU 78 12.615 7.720 -8.823 609 2HB GLU 78 1HB GLU 78 11.877 8.408 -10.255 610 1HG GLU 78 2HG GLU 78 13.634 9.849 -9.579 611 2HG GLU 78 1HG GLU 78 12.108 10.653 -9.223 612 H GLN 79 H GLN 79 10.285 5.972 -8.467 613 HA GLN 79 HA GLN 79 9.283 5.501 -11.032 614 1HB GLN 79 2HB GLN 79 10.272 3.802 -9.494 615 2HB GLN 79 1HB GLN 79 8.791 3.840 -8.556 616 1HG GLN 79 2HG GLN 79 8.773 1.934 -10.010 617 2HG GLN 79 1HG GLN 79 7.539 3.080 -10.527 618 1HE2 GLN 79 1HE2 GLN 79 10.972 3.454 -11.156 619 2HE2 GLN 79 2HE2 GLN 79 10.870 3.238 -12.866 620 H SER 80 H SER 80 7.670 6.538 -8.140 621 HA SER 80 HA SER 80 5.046 5.724 -8.739 622 1HB SER 80 2HB SER 80 4.345 7.376 -7.074 623 2HB SER 80 1HB SER 80 5.753 6.487 -6.500 624 HG SER 80 HG SER 80 6.988 8.254 -6.732 625 H GLU 81 H GLU 81 6.955 8.414 -9.837 626 HA GLU 81 HA GLU 81 4.917 10.193 -10.549 627 1HB GLU 81 2HB GLU 81 7.352 10.733 -10.350 628 2HB GLU 81 1HB GLU 81 7.620 9.887 -11.868 629 1HG GLU 81 2HG GLU 81 6.233 11.482 -13.036 630 2HG GLU 81 1HG GLU 81 5.855 12.301 -11.521 631 H ALA 82 H ALA 82 6.740 7.926 -12.618 632 HA ALA 82 HA ALA 82 5.175 8.388 -14.926 633 1HB ALA 82 1HB ALA 82 6.849 5.969 -14.260 634 2HB ALA 82 2HB ALA 82 7.447 7.457 -14.995 635 3HB ALA 82 3HB ALA 82 6.290 6.449 -15.863 636 H ILE 83 H ILE 83 4.926 6.022 -12.316 637 HA ILE 83 HA ILE 83 2.955 4.405 -13.553 638 HB ILE 83 HB ILE 83 3.586 4.764 -10.616 639 1HG1 ILE 83 2HG1 ILE 83 4.410 2.619 -12.591 640 2HG1 ILE 83 1HG1 ILE 83 5.457 3.886 -11.955 641 1HG2 ILE 83 1HG2 ILE 83 1.334 3.895 -10.891 642 2HG2 ILE 83 2HG2 ILE 83 2.408 2.633 -10.288 643 3HG2 ILE 83 3HG2 ILE 83 1.929 2.645 -11.984 644 1HD1 ILE 83 1HD1 ILE 83 4.143 1.719 -10.328 645 2HD1 ILE 83 2HD1 ILE 83 5.239 2.959 -9.721 646 3HD1 ILE 83 3HD1 ILE 83 5.827 1.739 -10.851 647 H GLY 84 H GLY 84 2.700 6.985 -11.104 648 1HA GLY 84 2HA GLY 84 -0.123 6.846 -10.917 649 2HA GLY 84 1HA GLY 84 0.882 8.177 -10.365 650 H ASP 85 H ASP 85 2.034 8.725 -12.953 651 HA ASP 85 HA ASP 85 0.090 10.528 -13.950 652 1HB ASP 85 2HB ASP 85 2.600 10.762 -14.105 653 2HB ASP 85 1HB ASP 85 2.570 9.553 -15.374 654 H ARG 86 H ARG 86 1.114 7.326 -14.856 655 HA ARG 86 HA ARG 86 -0.109 6.971 -17.313 656 1HB ARG 86 2HB ARG 86 1.306 5.285 -16.236 657 2HB ARG 86 1HB ARG 86 0.073 5.004 -15.025 658 1HG ARG 86 2HG ARG 86 0.075 3.231 -16.666 659 2HG ARG 86 1HG ARG 86 -1.431 4.146 -16.751 660 1HD ARG 86 2HD ARG 86 0.829 4.924 -18.532 661 2HD ARG 86 1HD ARG 86 -0.099 3.479 -18.928 662 HE ARG 86 HE ARG 86 -2.039 5.295 -18.568 663 1HH1 ARG 86 1HH1 ARG 86 0.961 5.498 -20.379 664 2HH1 ARG 86 2HH1 ARG 86 0.280 6.520 -21.614 665 1HH2 ARG 86 1HH2 ARG 86 -2.940 6.584 -20.192 666 2HH2 ARG 86 2HH2 ARG 86 -1.951 7.115 -21.526 667 H PHE 87 H PHE 87 -1.545 6.696 -14.079 668 HA PHE 87 HA PHE 87 -4.167 6.170 -15.202 669 1HB PHE 87 2HB PHE 87 -3.731 6.938 -12.334 670 2HB PHE 87 1HB PHE 87 -4.944 5.867 -13.020 671 HD1 PHE 87 1HD PHE 87 -1.923 6.071 -11.263 672 HD2 PHE 87 2HD PHE 87 -4.018 3.640 -14.055 673 HE1 PHE 87 1HE PHE 87 -0.539 4.156 -10.621 674 HE2 PHE 87 2HE PHE 87 -2.627 1.708 -13.414 675 HZ PHE 87 HZ PHE 87 -0.886 1.965 -11.692 676 H ASN 88 H ASN 88 -3.264 8.524 -12.745 677 HA ASN 88 HA ASN 88 -3.850 10.899 -13.969 678 1HB ASN 88 2HB ASN 88 -6.114 9.771 -14.325 679 2HB ASN 88 1HB ASN 88 -6.342 9.882 -12.585 680 1HD2 ASN 88 1HD2 ASN 88 -6.976 11.794 -11.698 681 2HD2 ASN 88 2HD2 ASN 88 -7.308 13.225 -12.621 682 H VAL 89 H VAL 89 -2.449 9.502 -11.694 683 HA VAL 89 HA VAL 89 -3.389 11.148 -9.435 684 HB VAL 89 HB VAL 89 -1.712 8.632 -9.254 685 1HG1 VAL 89 1HG1 VAL 89 -3.256 10.169 -7.167 686 2HG1 VAL 89 2HG1 VAL 89 -1.502 10.118 -7.341 687 3HG1 VAL 89 3HG1 VAL 89 -2.386 8.658 -6.897 688 1HG2 VAL 89 1HG2 VAL 89 -3.871 8.054 -10.207 689 2HG2 VAL 89 2HG2 VAL 89 -4.698 8.935 -8.922 690 3HG2 VAL 89 3HG2 VAL 89 -3.769 7.485 -8.541 691 H ARG 90 H ARG 90 -0.846 10.502 -11.606 692 HA ARG 90 HA ARG 90 1.277 11.242 -11.869 693 1HB ARG 90 2HB ARG 90 -0.163 13.424 -11.305 694 2HB ARG 90 1HB ARG 90 0.885 13.443 -9.893 695 1HG ARG 90 2HG ARG 90 2.841 13.578 -11.266 696 2HG ARG 90 1HG ARG 90 1.888 13.326 -12.728 697 1HD ARG 90 2HD ARG 90 0.675 15.450 -12.213 698 2HD ARG 90 1HD ARG 90 1.805 15.712 -10.884 699 HE ARG 90 HE ARG 90 3.248 15.253 -13.265 700 1HH1 ARG 90 1HH1 ARG 90 1.206 17.691 -11.781 701 2HH1 ARG 90 2HH1 ARG 90 1.945 19.012 -12.634 702 1HH2 ARG 90 1HH2 ARG 90 4.218 16.993 -14.384 703 2HH2 ARG 90 2HH2 ARG 90 3.652 18.614 -14.109 704 H ARG 91 H ARG 91 2.735 12.717 -9.621 705 HA ARG 91 HA ARG 91 3.548 10.256 -8.278 706 1HB ARG 91 2HB ARG 91 5.567 11.530 -7.612 707 2HB ARG 91 1HB ARG 91 5.341 11.444 -9.351 708 1HG ARG 91 2HG ARG 91 4.462 13.716 -9.356 709 2HG ARG 91 1HG ARG 91 4.671 13.799 -7.606 710 1HD ARG 91 2HD ARG 91 6.889 13.341 -9.594 711 2HD ARG 91 1HD ARG 91 6.507 14.890 -8.844 712 HE ARG 91 HE ARG 91 6.910 13.461 -6.680 713 1HH1 ARG 91 1HH1 ARG 91 8.704 13.301 -9.692 714 2HH1 ARG 91 2HH1 ARG 91 10.226 12.971 -8.902 715 1HH2 ARG 91 1HH2 ARG 91 8.924 12.995 -5.656 716 2HH2 ARG 91 2HH2 ARG 91 10.340 12.773 -6.631 717 H PHE 92 H PHE 92 1.119 11.547 -7.444 718 HA PHE 92 HA PHE 92 1.773 12.667 -4.835 719 1HB PHE 92 2HB PHE 92 -0.856 12.220 -6.256 720 2HB PHE 92 1HB PHE 92 -0.747 12.798 -4.596 721 HD1 PHE 92 1HD PHE 92 -0.661 13.704 -8.057 722 HD2 PHE 92 2HD PHE 92 0.488 14.957 -4.161 723 HE1 PHE 92 1HE PHE 92 -0.429 16.010 -8.877 724 HE2 PHE 92 2HE PHE 92 0.714 17.272 -4.968 725 HZ PHE 92 HZ PHE 92 0.257 17.803 -7.329 726 HA PRO 93 HA PRO 93 1.755 8.821 -2.736 727 1HB PRO 93 2HB PRO 93 0.499 10.238 -0.464 728 2HB PRO 93 1HB PRO 93 2.035 9.370 -0.540 729 1HG PRO 93 2HG PRO 93 1.966 12.037 -0.430 730 2HG PRO 93 1HG PRO 93 3.172 11.185 -1.413 731 1HD PRO 93 2HD PRO 93 0.655 12.560 -2.274 732 2HD PRO 93 1HD PRO 93 2.254 12.543 -3.049 733 H ALA 94 H ALA 94 0.371 7.290 -3.229 734 HA ALA 94 HA ALA 94 -2.206 7.151 -1.987 735 1HB ALA 94 1HB ALA 94 -3.527 6.976 -4.031 736 2HB ALA 94 2HB ALA 94 -2.096 7.333 -5.000 737 3HB ALA 94 3HB ALA 94 -2.759 8.559 -3.920 738 H THR 95 H THR 95 -3.218 5.052 -2.350 739 HA THR 95 HA THR 95 -1.369 3.049 -3.482 740 HB THR 95 HB THR 95 -3.154 2.561 -1.090 741 HG1 THR 95 1HG THR 95 -0.803 3.893 -1.227 742 1HG2 THR 95 1HG2 THR 95 -2.522 0.562 -2.344 743 2HG2 THR 95 2HG2 THR 95 -1.707 0.592 -0.781 744 3HG2 THR 95 3HG2 THR 95 -0.823 1.021 -2.245 745 H LEU 96 H LEU 96 -2.297 2.120 -5.208 746 HA LEU 96 HA LEU 96 -5.194 2.259 -5.468 747 1HB LEU 96 2HB LEU 96 -3.052 1.491 -7.454 748 2HB LEU 96 1HB LEU 96 -4.768 1.467 -7.798 749 HG LEU 96 HG LEU 96 -4.731 3.964 -7.141 750 1HD1 LEU 96 1HD1 LEU 96 -2.626 5.107 -7.531 751 2HD1 LEU 96 2HD1 LEU 96 -1.810 3.559 -7.743 752 3HD1 LEU 96 3HD1 LEU 96 -2.493 3.988 -6.176 753 1HD2 LEU 96 1HD2 LEU 96 -3.382 3.034 -9.668 754 2HD2 LEU 96 2HD2 LEU 96 -4.157 4.599 -9.413 755 3HD2 LEU 96 3HD2 LEU 96 -5.122 3.123 -9.396 756 H VAL 97 H VAL 97 -6.533 0.552 -5.588 757 HA VAL 97 HA VAL 97 -5.430 -1.961 -4.583 758 HB VAL 97 HB VAL 97 -8.304 -1.030 -4.718 759 1HG1 VAL 97 1HG1 VAL 97 -8.144 -3.460 -4.787 760 2HG1 VAL 97 2HG1 VAL 97 -8.758 -2.936 -3.219 761 3HG1 VAL 97 3HG1 VAL 97 -7.079 -3.447 -3.381 762 1HG2 VAL 97 1HG2 VAL 97 -6.994 0.311 -3.156 763 2HG2 VAL 97 2HG2 VAL 97 -6.387 -1.153 -2.384 764 3HG2 VAL 97 3HG2 VAL 97 -8.100 -0.748 -2.279 765 H PHE 98 H PHE 98 -4.853 -3.304 -6.134 766 HA PHE 98 HA PHE 98 -6.579 -3.624 -8.483 767 1HB PHE 98 2HB PHE 98 -3.748 -4.576 -7.970 768 2HB PHE 98 1HB PHE 98 -4.657 -4.872 -9.447 769 HD1 PHE 98 1HD PHE 98 -3.251 -2.159 -7.334 770 HD2 PHE 98 2HD PHE 98 -4.639 -3.324 -11.183 771 HE1 PHE 98 1HE PHE 98 -2.416 -0.045 -8.273 772 HE2 PHE 98 2HE PHE 98 -3.797 -1.215 -12.120 773 HZ PHE 98 HZ PHE 98 -2.699 0.430 -10.674 774 H THR 99 H THR 99 -8.143 -5.038 -7.964 775 HA THR 99 HA THR 99 -7.299 -7.640 -6.899 776 HB THR 99 HB THR 99 -9.726 -7.623 -5.860 777 HG1 THR 99 1HG THR 99 -9.147 -4.910 -5.434 778 1HG2 THR 99 1HG2 THR 99 -7.383 -6.169 -4.624 779 2HG2 THR 99 2HG2 THR 99 -7.689 -7.905 -4.561 780 3HG2 THR 99 3HG2 THR 99 -8.779 -6.787 -3.739 781 H ASP 100 H ASP 100 -8.335 -9.412 -7.752 782 HA ASP 100 HA ASP 100 -9.473 -10.653 -9.315 783 1HB ASP 100 2HB ASP 100 -11.464 -9.261 -8.746 784 2HB ASP 100 1HB ASP 100 -10.973 -8.097 -9.954 785 H GLY 101 H GLY 101 -7.222 -8.570 -9.750 786 1HA GLY 101 2HA GLY 101 -5.767 -8.142 -11.501 787 2HA GLY 101 1HA GLY 101 -6.855 -9.006 -12.581 788 H LYS 102 H LYS 102 -8.696 -6.864 -10.869 789 HA LYS 102 HA LYS 102 -8.471 -4.860 -13.025 790 1HB LYS 102 2HB LYS 102 -10.888 -5.646 -11.388 791 2HB LYS 102 1HB LYS 102 -10.857 -4.357 -12.583 792 1HG LYS 102 2HG LYS 102 -10.412 -5.954 -14.344 793 2HG LYS 102 1HG LYS 102 -10.334 -7.265 -13.166 794 1HD LYS 102 2HD LYS 102 -12.680 -6.819 -12.551 795 2HD LYS 102 1HD LYS 102 -12.745 -5.563 -13.789 796 1HE LYS 102 2HE LYS 102 -13.730 -7.668 -14.568 797 2HE LYS 102 1HE LYS 102 -12.317 -7.212 -15.519 798 1HZ LYS 102 1HZ LYS 102 -12.434 -9.607 -14.881 799 2HZ LYS 102 2HZ LYS 102 -12.208 -9.141 -13.261 800 3HZ LYS 102 3HZ LYS 102 -11.003 -8.824 -14.417 801 H LEU 103 H LEU 103 -8.172 -2.769 -12.513 802 HA LEU 103 HA LEU 103 -7.548 -1.993 -9.853 803 1HB LEU 103 2HB LEU 103 -6.602 -0.887 -11.844 804 2HB LEU 103 1HB LEU 103 -8.194 -0.283 -12.262 805 HG LEU 103 HG LEU 103 -8.225 1.110 -10.264 806 1HD1 LEU 103 1HD1 LEU 103 -6.932 -0.357 -8.796 807 2HD1 LEU 103 2HD1 LEU 103 -6.295 1.288 -8.809 808 3HD1 LEU 103 3HD1 LEU 103 -5.474 0.018 -9.715 809 1HD2 LEU 103 1HD2 LEU 103 -7.245 2.007 -12.316 810 2HD2 LEU 103 2HD2 LEU 103 -5.662 1.409 -11.819 811 3HD2 LEU 103 3HD2 LEU 103 -6.462 2.670 -10.881 812 H ARG 104 H ARG 104 -9.016 -1.916 -8.303 813 HA ARG 104 HA ARG 104 -11.810 -1.448 -9.029 814 1HB ARG 104 2HB ARG 104 -10.570 -2.552 -6.506 815 2HB ARG 104 1HB ARG 104 -12.298 -2.354 -6.765 816 1HG ARG 104 2HG ARG 104 -10.493 -4.096 -8.435 817 2HG ARG 104 1HG ARG 104 -11.515 -4.665 -7.117 818 1HD ARG 104 2HD ARG 104 -13.492 -3.804 -8.339 819 2HD ARG 104 1HD ARG 104 -12.434 -3.361 -9.677 820 HE ARG 104 HE ARG 104 -11.876 -5.859 -9.689 821 1HH1 ARG 104 1HH1 ARG 104 -14.963 -4.558 -8.720 822 2HH1 ARG 104 2HH1 ARG 104 -15.877 -5.951 -9.204 823 1HH2 ARG 104 1HH2 ARG 104 -13.073 -7.721 -10.389 824 2HH2 ARG 104 2HH2 ARG 104 -14.804 -7.742 -10.187 825 H GLY 105 H GLY 105 -9.231 -0.039 -7.119 826 1HA GLY 105 2HA GLY 105 -10.575 2.455 -6.962 827 2HA GLY 105 1HA GLY 105 -10.706 1.604 -5.431 828 H ALA 106 H ALA 106 -9.515 3.730 -4.923 829 HA ALA 106 HA ALA 106 -6.702 3.078 -4.628 830 1HB ALA 106 1HB ALA 106 -5.920 5.219 -5.495 831 2HB ALA 106 2HB ALA 106 -7.570 5.647 -5.949 832 3HB ALA 106 3HB ALA 106 -6.756 4.301 -6.746 833 H LEU 107 H LEU 107 -5.871 3.836 -2.755 834 HA LEU 107 HA LEU 107 -7.661 5.444 -1.066 835 1HB LEU 107 2HB LEU 107 -5.570 3.388 -0.476 836 2HB LEU 107 1HB LEU 107 -5.938 4.601 0.730 837 HG LEU 107 HG LEU 107 -7.167 2.608 1.222 838 1HD1 LEU 107 1HD1 LEU 107 -9.455 3.471 1.217 839 2HD1 LEU 107 2HD1 LEU 107 -8.976 4.718 0.066 840 3HD1 LEU 107 3HD1 LEU 107 -8.284 4.703 1.689 841 1HD2 LEU 107 1HD2 LEU 107 -8.795 1.636 -0.302 842 2HD2 LEU 107 2HD2 LEU 107 -7.181 1.612 -1.013 843 3HD2 LEU 107 3HD2 LEU 107 -8.359 2.814 -1.540 844 H SER 108 H SER 108 -6.970 7.285 -0.074 845 HA SER 108 HA SER 108 -4.177 8.080 -0.345 846 1HB SER 108 2HB SER 108 -5.434 9.110 -2.252 847 2HB SER 108 1HB SER 108 -6.468 9.927 -1.081 848 HG SER 108 HG SER 108 -3.679 10.213 -0.894 849 H GLY 109 H GLY 109 -7.295 9.416 0.800 850 1HA GLY 109 2HA GLY 109 -6.024 10.119 3.334 851 2HA GLY 109 1HA GLY 109 -7.640 10.577 2.815 852 H ILE 110 H ILE 110 -6.417 9.152 5.251 853 HA ILE 110 HA ILE 110 -7.370 6.482 5.222 854 HB ILE 110 HB ILE 110 -6.748 8.257 7.591 855 1HG1 ILE 110 2HG1 ILE 110 -4.824 7.979 6.108 856 2HG1 ILE 110 1HG1 ILE 110 -4.576 7.081 7.602 857 1HG2 ILE 110 1HG2 ILE 110 -8.154 6.365 8.221 858 2HG2 ILE 110 2HG2 ILE 110 -6.518 6.169 8.850 859 3HG2 ILE 110 3HG2 ILE 110 -7.031 5.257 7.431 860 1HD1 ILE 110 1HD1 ILE 110 -3.822 5.806 5.683 861 2HD1 ILE 110 2HD1 ILE 110 -5.425 5.922 4.957 862 3HD1 ILE 110 3HD1 ILE 110 -5.199 5.014 6.451 863 H HIS 111 H HIS 111 -8.679 9.497 6.587 864 HA HIS 111 HA HIS 111 -10.817 10.162 7.007 865 1HB HIS 111 2HB HIS 111 -11.456 7.657 5.451 866 2HB HIS 111 1HB HIS 111 -12.706 8.718 6.086 867 HD1 HIS 111 1HD HIS 111 -10.305 8.350 3.308 868 HD2 HIS 111 2HD HIS 111 -12.787 11.297 4.866 869 HE1 HIS 111 1HE HIS 111 -10.506 10.091 1.504 870 HE2 HIS 111 2HE HIS 111 -12.184 11.746 2.396 871 HA PRO 112 HA PRO 112 -12.199 8.121 10.739 872 1HB PRO 112 2HB PRO 112 -14.904 8.309 10.701 873 2HB PRO 112 1HB PRO 112 -13.850 9.699 10.986 874 1HG PRO 112 2HG PRO 112 -15.206 8.836 8.459 875 2HG PRO 112 1HG PRO 112 -15.072 10.462 9.155 876 1HD PRO 112 2HD PRO 112 -13.480 9.620 7.144 877 2HD PRO 112 1HD PRO 112 -12.913 10.749 8.389 878 H TRP 113 H TRP 113 -12.535 6.646 7.874 879 HA TRP 113 HA TRP 113 -12.506 4.426 7.380 880 1HB TRP 113 2HB TRP 113 -11.866 4.190 9.880 881 2HB TRP 113 1HB TRP 113 -13.543 3.713 10.115 882 HD1 TRP 113 HD TRP 113 -14.310 1.481 8.550 883 HE1 TRP 113 1HE TRP 113 -12.931 -0.646 8.079 884 HE3 TRP 113 3HE TRP 113 -9.645 3.282 9.603 885 HZ2 TRP 113 2HZ TRP 113 -10.224 -1.450 8.145 886 HZ3 TRP 113 3HZ TRP 113 -7.714 1.773 9.376 887 HH2 TRP 113 HH TRP 113 -8.000 -0.545 8.660 888 H ALA 114 H ALA 114 -15.242 6.099 8.512 889 HA ALA 114 HA ALA 114 -17.275 4.194 8.204 890 1HB ALA 114 1HB ALA 114 -17.592 6.403 9.239 891 2HB ALA 114 2HB ALA 114 -18.792 6.071 7.991 892 3HB ALA 114 3HB ALA 114 -17.441 7.155 7.651 893 H GLU 115 H GLU 115 -15.575 6.192 5.893 894 HA GLU 115 HA GLU 115 -17.237 5.536 3.662 895 1HB GLU 115 2HB GLU 115 -14.385 6.533 3.606 896 2HB GLU 115 1HB GLU 115 -15.587 6.672 2.330 897 1HG GLU 115 2HG GLU 115 -15.705 8.770 3.169 898 2HG GLU 115 1HG GLU 115 -16.902 7.993 4.201 899 H LEU 116 H LEU 116 -14.202 4.340 4.990 900 HA LEU 116 HA LEU 116 -13.562 2.499 2.961 901 1HB LEU 116 2HB LEU 116 -12.900 2.639 5.888 902 2HB LEU 116 1HB LEU 116 -12.360 1.298 4.896 903 HG LEU 116 HG LEU 116 -11.687 4.194 4.381 904 1HD1 LEU 116 1HD1 LEU 116 -9.993 1.985 5.544 905 2HD1 LEU 116 2HD1 LEU 116 -10.642 3.362 6.434 906 3HD1 LEU 116 3HD1 LEU 116 -9.450 3.619 5.159 907 1HD2 LEU 116 1HD2 LEU 116 -10.687 1.638 3.122 908 2HD2 LEU 116 2HD2 LEU 116 -10.083 3.261 2.784 909 3HD2 LEU 116 3HD2 LEU 116 -11.740 2.833 2.360 910 H LEU 117 H LEU 117 -15.609 2.248 5.812 911 HA LEU 117 HA LEU 117 -16.151 -0.505 5.676 912 1HB LEU 117 2HB LEU 117 -16.871 1.514 7.346 913 2HB LEU 117 1HB LEU 117 -18.373 1.281 6.472 914 HG LEU 117 HG LEU 117 -18.370 0.016 8.553 915 1HD1 LEU 117 1HD1 LEU 117 -18.920 -2.198 7.670 916 2HD1 LEU 117 2HD1 LEU 117 -18.173 -1.769 6.133 917 3HD1 LEU 117 3HD1 LEU 117 -19.610 -0.910 6.681 918 1HD2 LEU 117 1HD2 LEU 117 -15.955 -1.383 7.412 919 2HD2 LEU 117 2HD2 LEU 117 -16.818 -1.858 8.875 920 3HD2 LEU 117 3HD2 LEU 117 -15.982 -0.306 8.809 921 H THR 118 H THR 118 -17.713 2.276 4.151 922 HA THR 118 HA THR 118 -19.727 0.830 2.800 923 HB THR 118 HB THR 118 -18.478 3.475 2.015 924 HG1 THR 118 1HG THR 118 -19.289 3.735 4.064 925 1HG2 THR 118 1HG2 THR 118 -19.840 2.502 0.230 926 2HG2 THR 118 2HG2 THR 118 -20.640 3.910 0.927 927 3HG2 THR 118 3HG2 THR 118 -21.180 2.288 1.356 928 H LEU 119 H LEU 119 -16.422 1.732 1.939 929 HA LEU 119 HA LEU 119 -16.572 0.910 -0.773 930 1HB LEU 119 2HB LEU 119 -14.184 1.237 1.046 931 2HB LEU 119 1HB LEU 119 -14.091 0.989 -0.686 932 HG LEU 119 HG LEU 119 -15.337 3.374 0.680 933 1HD1 LEU 119 1HD1 LEU 119 -13.440 4.605 -0.241 934 2HD1 LEU 119 2HD1 LEU 119 -12.775 3.105 -0.886 935 3HD1 LEU 119 3HD1 LEU 119 -12.900 3.334 0.858 936 1HD2 LEU 119 1HD2 LEU 119 -15.515 4.305 -1.573 937 2HD2 LEU 119 2HD2 LEU 119 -16.455 2.820 -1.423 938 3HD2 LEU 119 3HD2 LEU 119 -14.897 2.796 -2.248 939 H MET 120 H MET 120 -15.239 -0.679 2.140 940 HA MET 120 HA MET 120 -14.493 -3.049 0.757 941 1HB MET 120 2HB MET 120 -14.136 -4.039 2.957 942 2HB MET 120 1HB MET 120 -13.453 -2.425 2.882 943 1HG MET 120 2HG MET 120 -14.437 -2.510 4.974 944 2HG MET 120 1HG MET 120 -15.628 -1.661 3.998 945 1HE MET 120 1HE MET 120 -16.020 -6.103 5.196 946 2HE MET 120 2HE MET 120 -14.669 -5.083 5.690 947 3HE MET 120 3HE MET 120 -14.867 -5.525 3.993 948 H ARG 121 H ARG 121 -17.472 -1.896 1.944 949 HA ARG 121 HA ARG 121 -18.841 -4.304 2.390 950 1HB ARG 121 2HB ARG 121 -19.630 -2.030 3.037 951 2HB ARG 121 1HB ARG 121 -19.940 -1.687 1.344 952 1HG ARG 121 2HG ARG 121 -21.570 -3.564 1.321 953 2HG ARG 121 1HG ARG 121 -21.329 -3.729 3.063 954 1HD ARG 121 2HD ARG 121 -22.043 -1.398 3.368 955 2HD ARG 121 1HD ARG 121 -22.307 -1.258 1.632 956 HE ARG 121 HE ARG 121 -23.822 -3.152 3.321 957 1HH1 ARG 121 1HH1 ARG 121 -23.670 -0.717 0.796 958 2HH1 ARG 121 2HH1 ARG 121 -25.380 -0.743 0.501 959 1HH2 ARG 121 1HH2 ARG 121 -26.083 -3.178 2.917 960 2HH2 ARG 121 2HH2 ARG 121 -26.744 -2.135 1.686 961 H SER 122 H SER 122 -19.166 -2.166 -0.440 962 HA SER 122 HA SER 122 -20.381 -4.210 -1.981 963 1HB SER 122 2HB SER 122 -19.456 -1.434 -2.713 964 2HB SER 122 1HB SER 122 -20.562 -2.440 -3.624 965 HG SER 122 HG SER 122 -21.788 -2.469 -1.498 966 H ILE 123 H ILE 123 -17.141 -2.687 -2.017 967 HA ILE 123 HA ILE 123 -16.726 -3.511 -4.741 968 HB ILE 123 HB ILE 123 -14.824 -2.192 -2.813 969 1HG1 ILE 123 2HG1 ILE 123 -16.538 -1.030 -5.026 970 2HG1 ILE 123 1HG1 ILE 123 -16.839 -0.856 -3.302 971 1HG2 ILE 123 1HG2 ILE 123 -13.531 -1.592 -4.809 972 2HG2 ILE 123 2HG2 ILE 123 -14.635 -2.539 -5.807 973 3HG2 ILE 123 3HG2 ILE 123 -13.631 -3.340 -4.599 974 1HD1 ILE 123 1HD1 ILE 123 -14.418 0.187 -4.750 975 2HD1 ILE 123 2HD1 ILE 123 -14.800 0.419 -3.044 976 3HD1 ILE 123 3HD1 ILE 123 -15.826 1.141 -4.284 977 H VAL 124 H VAL 124 -15.213 -4.485 -1.627 978 HA VAL 124 HA VAL 124 -13.305 -6.097 -3.114 979 HB VAL 124 HB VAL 124 -12.176 -6.492 -0.996 980 1HG1 VAL 124 1HG1 VAL 124 -11.563 -4.172 -0.470 981 2HG1 VAL 124 2HG1 VAL 124 -12.968 -3.609 -1.375 982 3HG1 VAL 124 3HG1 VAL 124 -11.664 -4.452 -2.208 983 1HG2 VAL 124 1HG2 VAL 124 -14.100 -6.675 0.477 984 2HG2 VAL 124 2HG2 VAL 124 -14.451 -4.962 0.256 985 3HG2 VAL 124 3HG2 VAL 124 -12.976 -5.458 1.085 986 H ASP 125 H ASP 125 -16.108 -6.922 -3.089 987 HA ASP 125 HA ASP 125 -16.326 -9.214 -1.387 988 1HB ASP 125 2HB ASP 125 -18.330 -8.022 -2.126 989 2HB ASP 125 1HB ASP 125 -17.972 -8.427 -3.802 990 H THR 126 H THR 126 -15.328 -8.649 -4.708 991 HA THR 126 HA THR 126 -14.921 -11.534 -5.075 992 HB THR 126 HB THR 126 -14.593 -10.832 -7.524 993 HG1 THR 126 1HG THR 126 -14.391 -8.588 -7.176 994 1HG2 THR 126 1HG2 THR 126 -17.302 -10.465 -6.233 995 2HG2 THR 126 2HG2 THR 126 -16.585 -12.000 -6.726 996 3HG2 THR 126 3HG2 THR 126 -17.008 -10.793 -7.941 997 HA PRO 127 HA PRO 127 -10.546 -10.334 -4.987 998 1HB PRO 127 2HB PRO 127 -9.703 -12.264 -3.343 999 2HB PRO 127 1HB PRO 127 -10.566 -10.852 -2.726 1000 1HG PRO 127 2HG PRO 127 -11.502 -13.643 -3.043 1001 2HG PRO 127 1HG PRO 127 -12.034 -12.398 -1.902 1002 1HD PRO 127 2HD PRO 127 -13.268 -13.167 -4.374 1003 2HD PRO 127 1HD PRO 127 -13.778 -11.889 -3.253 1004 H ALA 128 H ALA 128 -8.582 -11.610 -5.590 1005 HA ALA 128 HA ALA 128 -9.231 -14.045 -7.127 1006 1HB ALA 128 1HB ALA 128 -8.847 -12.177 -8.661 1007 2HB ALA 128 2HB ALA 128 -7.571 -13.387 -8.796 1008 3HB ALA 128 3HB ALA 128 -7.273 -11.886 -7.919 1009 H ALA 129 H ALA 129 -7.953 -13.081 -4.444 1010 HA ALA 129 HA ALA 129 -5.328 -13.793 -4.204 1011 1HB ALA 129 1HB ALA 129 -7.544 -14.332 -2.233 1012 2HB ALA 129 2HB ALA 129 -6.666 -12.814 -2.419 1013 3HB ALA 129 3HB ALA 129 -5.821 -14.258 -1.861 1014 H GLN 130 H GLN 130 -4.378 -15.567 -4.958 1015 HA GLN 130 HA GLN 130 -5.749 -18.138 -4.770 1016 1HB GLN 130 2HB GLN 130 -3.385 -17.182 -6.360 1017 2HB GLN 130 1HB GLN 130 -3.753 -18.894 -6.195 1018 1HG GLN 130 2HG GLN 130 -5.561 -16.793 -7.369 1019 2HG GLN 130 1HG GLN 130 -4.658 -18.023 -8.256 1020 1HE2 GLN 130 1HE2 GLN 130 -5.297 -20.175 -8.118 1021 2HE2 GLN 130 2HE2 GLN 130 -6.880 -20.630 -7.580 1022 H GLU 131 H GLU 131 -4.523 -16.719 -2.501 1023 HA GLU 131 HA GLU 131 -3.677 -17.396 -0.515 1024 1HB GLU 131 2HB GLU 131 -3.341 -20.060 -1.900 1025 2HB GLU 131 1HB GLU 131 -3.015 -19.784 -0.195 1026 1HG GLU 131 2HG GLU 131 -5.307 -19.296 0.239 1027 2HG GLU 131 1HG GLU 131 -5.686 -19.289 -1.482 1028 H THR 132 H THR 132 -1.983 -15.849 -0.928 1029 HA THR 132 HA THR 132 0.633 -17.013 -1.488 1030 HB THR 132 HB THR 132 0.012 -14.209 -0.539 1031 HG1 THR 132 1HG THR 132 -0.918 -14.066 -2.445 1032 1HG2 THR 132 1HG2 THR 132 2.373 -15.363 -2.028 1033 2HG2 THR 132 2HG2 THR 132 2.353 -14.915 -0.323 1034 3HG2 THR 132 3HG2 THR 132 2.174 -13.674 -1.564 1035 H VAL 133 H VAL 133 -0.773 -15.060 1.151 1036 HA VAL 133 HA VAL 133 -0.903 -15.371 3.386 1037 HB VAL 133 HB VAL 133 0.016 -18.193 2.836 1038 1HG1 VAL 133 1HG1 VAL 133 0.268 -17.571 5.176 1039 2HG1 VAL 133 2HG1 VAL 133 -1.045 -18.730 4.972 1040 3HG1 VAL 133 3HG1 VAL 133 -1.409 -17.023 5.222 1041 1HG2 VAL 133 1HG2 VAL 133 -2.359 -18.770 2.876 1042 2HG2 VAL 133 2HG2 VAL 133 -2.002 -17.624 1.584 1043 3HG2 VAL 133 3HG2 VAL 133 -2.775 -17.066 3.068 1044 H GLN 134 H GLN 134 0.388 -14.482 4.823 1045 HA GLN 134 HA GLN 134 3.034 -15.601 5.303 1046 1HB GLN 134 2HB GLN 134 3.551 -13.788 3.790 1047 2HB GLN 134 1HB GLN 134 2.542 -12.676 4.704 1048 1HG GLN 134 2HG GLN 134 4.054 -12.744 6.563 1049 2HG GLN 134 1HG GLN 134 5.012 -14.003 5.789 1050 1HE2 GLN 134 1HE2 GLN 134 6.861 -12.752 5.928 1051 2HE2 GLN 134 2HE2 GLN 134 7.125 -11.391 4.881 Start of MODEL 5 1 1H MET 1 1HT MET 1 13.533 16.532 -0.337 2 2H MET 1 2HT MET 1 12.668 17.817 -1.022 3 3H MET 1 3HT MET 1 11.886 16.730 0.020 4 HA MET 1 HA MET 1 12.323 18.775 1.175 5 1HB MET 1 2HB MET 1 12.495 16.595 2.379 6 2HB MET 1 1HB MET 1 14.226 16.597 2.072 7 1HG MET 1 2HG MET 1 14.478 18.615 3.395 8 2HG MET 1 1HG MET 1 12.736 18.675 3.661 9 1HE MET 1 1HE MET 1 14.131 17.710 7.191 10 2HE MET 1 2HE MET 1 13.155 18.857 6.274 11 3HE MET 1 3HE MET 1 14.898 18.778 6.015 12 H ALA 2 H ALA 2 13.668 20.486 1.649 13 HA ALA 2 HA ALA 2 15.643 21.126 -0.221 14 1HB ALA 2 1HB ALA 2 14.348 22.802 0.989 15 2HB ALA 2 2HB ALA 2 16.081 23.089 1.149 16 3HB ALA 2 3HB ALA 2 15.178 22.370 2.482 17 H ASN 3 H ASN 3 16.077 20.338 3.245 18 HA ASN 3 HA ASN 3 18.910 20.385 3.108 19 1HB ASN 3 2HB ASN 3 17.660 20.671 5.223 20 2HB ASN 3 1HB ASN 3 17.149 18.987 5.134 21 1HD2 ASN 3 1HD2 ASN 3 18.604 17.360 5.633 22 2HD2 ASN 3 2HD2 ASN 3 20.145 17.682 6.349 23 H ASP 4 H ASP 4 20.265 18.950 2.300 24 HA ASP 4 HA ASP 4 19.514 16.450 1.232 25 1HB ASP 4 2HB ASP 4 21.564 17.787 0.597 26 2HB ASP 4 1HB ASP 4 22.297 17.259 2.108 27 H THR 5 H THR 5 18.848 14.772 2.368 28 HA THR 5 HA THR 5 20.040 14.258 5.007 29 HB THR 5 HB THR 5 17.095 13.930 4.406 30 HG1 THR 5 1HG THR 5 17.455 16.126 4.265 31 1HG2 THR 5 1HG2 THR 5 17.959 12.651 6.312 32 2HG2 THR 5 2HG2 THR 5 16.874 13.937 6.844 33 3HG2 THR 5 3HG2 THR 5 18.619 14.133 7.005 34 HA PRO 6 HA PRO 6 20.617 10.016 3.617 35 1HB PRO 6 2HB PRO 6 19.632 9.507 6.397 36 2HB PRO 6 1HB PRO 6 21.009 8.794 5.548 37 1HG PRO 6 2HG PRO 6 21.381 10.705 7.361 38 2HG PRO 6 1HG PRO 6 22.348 10.661 5.877 39 1HD PRO 6 2HD PRO 6 20.132 12.487 6.636 40 2HD PRO 6 1HD PRO 6 21.534 12.783 5.590 41 H PHE 7 H PHE 7 19.316 8.332 2.925 42 HA PHE 7 HA PHE 7 16.629 9.091 2.423 43 1HB PHE 7 2HB PHE 7 18.125 6.537 1.821 44 2HB PHE 7 1HB PHE 7 16.494 6.881 1.254 45 HD1 PHE 7 1HD PHE 7 20.036 7.613 0.845 46 HD2 PHE 7 2HD PHE 7 16.096 8.614 -0.417 47 HE1 PHE 7 1HE PHE 7 20.964 8.786 -1.109 48 HE2 PHE 7 2HE PHE 7 17.016 9.788 -2.373 49 HZ PHE 7 HZ PHE 7 19.452 9.873 -2.724 50 H SER 8 H SER 8 14.770 7.689 2.768 51 HA SER 8 HA SER 8 14.218 7.428 5.461 52 1HB SER 8 2HB SER 8 12.795 5.979 3.215 53 2HB SER 8 1HB SER 8 12.119 6.456 4.774 54 HG SER 8 HG SER 8 12.305 8.600 4.169 55 H ALA 9 H ALA 9 14.781 6.005 6.923 56 HA ALA 9 HA ALA 9 16.213 3.647 6.417 57 1HB ALA 9 1HB ALA 9 16.295 4.901 8.542 58 2HB ALA 9 2HB ALA 9 15.969 3.185 8.775 59 3HB ALA 9 3HB ALA 9 14.656 4.355 8.900 60 H LEU 10 H LEU 10 12.818 4.302 6.619 61 HA LEU 10 HA LEU 10 11.730 1.811 7.131 62 1HB LEU 10 2HB LEU 10 10.408 3.852 6.957 63 2HB LEU 10 1HB LEU 10 10.736 3.941 5.238 64 HG LEU 10 HG LEU 10 9.498 1.809 4.927 65 1HD1 LEU 10 1HD1 LEU 10 8.809 2.169 7.840 66 2HD1 LEU 10 2HD1 LEU 10 9.774 0.864 7.147 67 3HD1 LEU 10 3HD1 LEU 10 8.063 1.008 6.742 68 1HD2 LEU 10 1HD2 LEU 10 7.275 2.772 5.232 69 2HD2 LEU 10 2HD2 LEU 10 8.402 3.954 4.569 70 3HD2 LEU 10 3HD2 LEU 10 7.956 4.022 6.273 71 H TRP 11 H TRP 11 12.849 3.123 4.022 72 HA TRP 11 HA TRP 11 11.963 1.037 2.375 73 1HB TRP 11 2HB TRP 11 13.524 3.389 2.087 74 2HB TRP 11 1HB TRP 11 14.457 2.064 1.399 75 HD1 TRP 11 HD TRP 11 11.968 4.528 0.410 76 HE1 TRP 11 1HE TRP 11 10.800 3.852 -1.785 77 HE3 TRP 11 3HE TRP 11 13.404 -0.370 0.200 78 HZ2 TRP 11 2HZ TRP 11 10.522 1.534 -3.382 79 HZ3 TRP 11 3HZ TRP 11 12.641 -1.744 -1.686 80 HH2 TRP 11 HH TRP 11 11.228 -0.810 -3.439 81 H GLN 12 H GLN 12 14.971 1.477 4.147 82 HA GLN 12 HA GLN 12 16.292 -0.841 3.212 83 1HB GLN 12 2HB GLN 12 17.177 1.257 4.478 84 2HB GLN 12 1HB GLN 12 16.718 0.385 5.928 85 1HG GLN 12 2HG GLN 12 18.630 -0.686 3.871 86 2HG GLN 12 1HG GLN 12 19.127 0.230 5.289 87 1HE2 GLN 12 1HE2 GLN 12 18.158 -2.803 4.055 88 2HE2 GLN 12 2HE2 GLN 12 18.269 -3.689 5.540 89 H ARG 13 H ARG 13 14.222 -0.160 5.991 90 HA ARG 13 HA ARG 13 14.548 -2.628 7.310 91 1HB ARG 13 2HB ARG 13 13.218 -0.228 7.810 92 2HB ARG 13 1HB ARG 13 11.939 -1.433 7.750 93 1HG ARG 13 2HG ARG 13 12.701 -1.172 10.019 94 2HG ARG 13 1HG ARG 13 13.159 -2.771 9.426 95 1HD ARG 13 2HD ARG 13 15.418 -1.992 9.001 96 2HD ARG 13 1HD ARG 13 14.974 -0.364 9.505 97 HE ARG 13 HE ARG 13 14.493 -2.340 11.536 98 1HH1 ARG 13 1HH1 ARG 13 16.899 -0.232 10.101 99 2HH1 ARG 13 2HH1 ARG 13 17.909 -0.211 11.520 100 1HH2 ARG 13 1HH2 ARG 13 15.780 -2.281 13.408 101 2HH2 ARG 13 2HH2 ARG 13 17.255 -1.363 13.414 102 H LEU 14 H LEU 14 12.062 -1.495 5.016 103 HA LEU 14 HA LEU 14 10.474 -3.828 5.247 104 1HB LEU 14 2HB LEU 14 9.239 -3.017 3.326 105 2HB LEU 14 1HB LEU 14 9.531 -1.732 4.472 106 HG LEU 14 HG LEU 14 11.557 -1.196 2.860 107 1HD1 LEU 14 1HD1 LEU 14 11.219 -3.105 1.389 108 2HD1 LEU 14 2HD1 LEU 14 10.965 -1.591 0.522 109 3HD1 LEU 14 3HD1 LEU 14 9.581 -2.557 1.034 110 1HD2 LEU 14 1HD2 LEU 14 8.678 -0.489 2.322 111 2HD2 LEU 14 2HD2 LEU 14 10.071 0.356 1.651 112 3HD2 LEU 14 3HD2 LEU 14 9.796 0.356 3.393 113 H LEU 15 H LEU 15 13.052 -2.912 3.031 114 HA LEU 15 HA LEU 15 12.848 -5.107 1.285 115 1HB LEU 15 2HB LEU 15 15.139 -3.338 2.075 116 2HB LEU 15 1HB LEU 15 15.373 -4.684 0.980 117 HG LEU 15 HG LEU 15 13.531 -2.341 0.515 118 1HD1 LEU 15 1HD1 LEU 15 15.120 -1.739 -1.234 119 2HD1 LEU 15 2HD1 LEU 15 16.148 -3.096 -0.777 120 3HD1 LEU 15 3HD1 LEU 15 15.899 -1.761 0.347 121 1HD2 LEU 15 1HD2 LEU 15 14.229 -4.678 -1.262 122 2HD2 LEU 15 2HD2 LEU 15 13.245 -3.288 -1.720 123 3HD2 LEU 15 3HD2 LEU 15 12.673 -4.403 -0.478 124 H THR 16 H THR 16 14.230 -4.788 4.450 125 HA THR 16 HA THR 16 15.815 -7.151 4.355 126 HB THR 16 HB THR 16 14.812 -5.583 6.741 127 HG1 THR 16 1HG THR 16 16.114 -4.279 5.468 128 1HG2 THR 16 1HG2 THR 16 16.649 -6.627 7.963 129 2HG2 THR 16 2HG2 THR 16 17.093 -7.555 6.532 130 3HG2 THR 16 3HG2 THR 16 15.553 -7.858 7.335 131 H ARG 17 H ARG 17 12.475 -6.484 5.019 132 HA ARG 17 HA ARG 17 12.138 -9.123 6.232 133 1HB ARG 17 2HB ARG 17 11.113 -6.923 7.170 134 2HB ARG 17 1HB ARG 17 9.917 -7.136 5.898 135 1HG ARG 17 2HG ARG 17 9.189 -9.199 6.795 136 2HG ARG 17 1HG ARG 17 10.557 -9.276 7.905 137 1HD ARG 17 2HD ARG 17 9.592 -7.045 8.829 138 2HD ARG 17 1HD ARG 17 8.108 -7.566 8.030 139 HE ARG 17 HE ARG 17 8.810 -9.748 9.447 140 1HH1 ARG 17 1HH1 ARG 17 8.300 -6.380 10.307 141 2HH1 ARG 17 2HH1 ARG 17 7.951 -6.742 11.975 142 1HH2 ARG 17 1HH2 ARG 17 8.376 -10.201 11.632 143 2HH2 ARG 17 2HH2 ARG 17 8.006 -8.907 12.727 144 H GLY 18 H GLY 18 11.038 -7.194 3.456 145 1HA GLY 18 2HA GLY 18 10.878 -9.331 1.702 146 2HA GLY 18 1HA GLY 18 9.289 -9.197 2.440 147 H TRP 19 H TRP 19 7.919 -8.128 1.239 148 HA TRP 19 HA TRP 19 6.945 -6.562 -0.071 149 1HB TRP 19 2HB TRP 19 9.363 -4.994 0.796 150 2HB TRP 19 1HB TRP 19 8.159 -4.316 -0.293 151 HD1 TRP 19 HD TRP 19 8.174 -5.994 3.220 152 HE1 TRP 19 1HE TRP 19 6.452 -4.755 4.679 153 HE3 TRP 19 3HE TRP 19 6.406 -2.666 -0.240 154 HZ2 TRP 19 2HZ TRP 19 4.602 -2.647 4.406 155 HZ3 TRP 19 3HZ TRP 19 4.668 -1.065 0.446 156 HH2 TRP 19 HH TRP 19 3.784 -1.057 2.723 157 H GLN 20 H GLN 20 7.721 -4.880 -1.983 158 HA GLN 20 HA GLN 20 9.700 -5.990 -3.738 159 1HB GLN 20 2HB GLN 20 7.955 -7.586 -4.192 160 2HB GLN 20 1HB GLN 20 6.750 -6.314 -4.321 161 1HG GLN 20 2HG GLN 20 7.289 -7.122 -6.510 162 2HG GLN 20 1HG GLN 20 7.885 -5.475 -6.337 163 1HE2 GLN 20 1HE2 GLN 20 9.398 -5.672 -7.950 164 2HE2 GLN 20 2HE2 GLN 20 10.815 -6.654 -7.803 165 HA PRO 21 HA PRO 21 9.274 -1.625 -4.888 166 1HB PRO 21 2HB PRO 21 11.592 -2.271 -6.594 167 2HB PRO 21 1HB PRO 21 11.436 -1.048 -5.330 168 1HG PRO 21 2HG PRO 21 12.938 -3.231 -4.973 169 2HG PRO 21 1HG PRO 21 12.006 -2.519 -3.644 170 1HD PRO 21 2HD PRO 21 11.349 -4.909 -5.340 171 2HD PRO 21 1HD PRO 21 11.198 -4.705 -3.581 172 H VAL 22 H VAL 22 7.660 -1.296 -6.306 173 HA VAL 22 HA VAL 22 7.577 -2.890 -8.747 174 HB VAL 22 HB VAL 22 5.334 -1.726 -9.095 175 1HG1 VAL 22 1HG1 VAL 22 5.739 -3.542 -6.724 176 2HG1 VAL 22 2HG1 VAL 22 5.529 -4.037 -8.402 177 3HG1 VAL 22 3HG1 VAL 22 4.202 -3.258 -7.542 178 1HG2 VAL 22 1HG2 VAL 22 5.768 -1.026 -6.193 179 2HG2 VAL 22 2HG2 VAL 22 4.261 -0.829 -7.092 180 3HG2 VAL 22 3HG2 VAL 22 5.684 0.117 -7.533 181 H GLU 23 H GLU 23 7.003 -1.883 -10.762 182 HA GLU 23 HA GLU 23 8.049 0.833 -11.097 183 1HB GLU 23 2HB GLU 23 8.948 -1.553 -12.725 184 2HB GLU 23 1HB GLU 23 9.390 0.115 -13.032 185 1HG GLU 23 2HG GLU 23 10.597 0.226 -10.946 186 2HG GLU 23 1HG GLU 23 10.075 -1.405 -10.526 187 H ALA 24 H ALA 24 7.452 1.747 -13.184 188 HA ALA 24 HA ALA 24 4.723 1.126 -13.797 189 1HB ALA 24 1HB ALA 24 6.604 3.068 -15.144 190 2HB ALA 24 2HB ALA 24 5.528 3.436 -13.795 191 3HB ALA 24 3HB ALA 24 4.854 2.997 -15.365 192 H SER 25 H SER 25 7.800 0.349 -15.119 193 HA SER 25 HA SER 25 7.092 -0.177 -17.781 194 1HB SER 25 2HB SER 25 9.291 -1.555 -16.246 195 2HB SER 25 1HB SER 25 9.246 -1.161 -17.966 196 HG SER 25 HG SER 25 10.349 0.524 -17.282 197 H THR 26 H THR 26 6.683 -2.084 -14.879 198 HA THR 26 HA THR 26 5.676 -4.288 -16.538 199 HB THR 26 HB THR 26 7.983 -4.817 -15.814 200 HG1 THR 26 1HG THR 26 5.874 -6.379 -14.704 201 1HG2 THR 26 1HG2 THR 26 8.460 -5.258 -13.462 202 2HG2 THR 26 2HG2 THR 26 6.833 -4.740 -13.023 203 3HG2 THR 26 3HG2 THR 26 7.978 -3.577 -13.692 204 H VAL 27 H VAL 27 4.653 -2.075 -14.549 205 HA VAL 27 HA VAL 27 3.538 -3.440 -12.341 206 HB VAL 27 HB VAL 27 3.806 -1.013 -12.328 207 1HG1 VAL 27 1HG1 VAL 27 3.301 -0.519 -14.653 208 2HG1 VAL 27 2HG1 VAL 27 2.295 0.447 -13.575 209 3HG1 VAL 27 3HG1 VAL 27 1.611 -0.957 -14.393 210 1HG2 VAL 27 1HG2 VAL 27 1.610 -0.400 -11.399 211 2HG2 VAL 27 2HG2 VAL 27 2.170 -1.970 -10.819 212 3HG2 VAL 27 3HG2 VAL 27 0.929 -1.884 -12.069 213 H ASP 28 H ASP 28 2.362 -2.805 -15.579 214 HA ASP 28 HA ASP 28 -0.336 -3.528 -15.183 215 1HB ASP 28 2HB ASP 28 0.575 -2.241 -17.137 216 2HB ASP 28 1HB ASP 28 1.295 -3.730 -17.730 217 H ASP 29 H ASP 29 2.479 -5.357 -16.309 218 HA ASP 29 HA ASP 29 0.993 -7.724 -16.860 219 1HB ASP 29 2HB ASP 29 3.246 -6.950 -17.875 220 2HB ASP 29 1HB ASP 29 3.968 -7.662 -16.435 221 H TRP 30 H TRP 30 2.899 -6.568 -14.134 222 HA TRP 30 HA TRP 30 3.088 -8.987 -12.721 223 1HB TRP 30 2HB TRP 30 4.419 -6.993 -12.154 224 2HB TRP 30 1HB TRP 30 2.958 -6.173 -11.616 225 HD1 TRP 30 HD TRP 30 4.889 -9.426 -10.694 226 HE1 TRP 30 1HE TRP 30 4.750 -9.724 -8.138 227 HE3 TRP 30 3HE TRP 30 1.958 -5.391 -9.549 228 HZ2 TRP 30 2HZ TRP 30 3.564 -8.436 -5.944 229 HZ3 TRP 30 3HZ TRP 30 1.365 -4.998 -7.193 230 HH2 TRP 30 HH TRP 30 2.153 -6.491 -5.427 231 H ILE 31 H ILE 31 0.675 -6.375 -12.527 232 HA ILE 31 HA ILE 31 -0.958 -7.603 -10.582 233 HB ILE 31 HB ILE 31 -1.603 -5.565 -12.710 234 1HG1 ILE 31 2HG1 ILE 31 -0.062 -4.815 -10.980 235 2HG1 ILE 31 1HG1 ILE 31 -1.624 -4.020 -10.785 236 1HG2 ILE 31 1HG2 ILE 31 -3.693 -5.130 -11.488 237 2HG2 ILE 31 2HG2 ILE 31 -3.364 -6.521 -10.454 238 3HG2 ILE 31 3HG2 ILE 31 -3.653 -6.753 -12.179 239 1HD1 ILE 31 1HD1 ILE 31 -2.179 -5.588 -8.987 240 2HD1 ILE 31 2HD1 ILE 31 -0.709 -4.681 -8.643 241 3HD1 ILE 31 3HD1 ILE 31 -0.602 -6.358 -9.179 242 H LYS 32 H LYS 32 -0.912 -7.762 -14.085 243 HA LYS 32 HA LYS 32 -3.220 -9.278 -14.503 244 1HB LYS 32 2HB LYS 32 -2.011 -8.150 -16.291 245 2HB LYS 32 1HB LYS 32 -0.621 -9.189 -16.048 246 1HG LYS 32 2HG LYS 32 -3.236 -10.424 -16.766 247 2HG LYS 32 1HG LYS 32 -2.298 -9.601 -18.013 248 1HD LYS 32 2HD LYS 32 -1.357 -11.890 -16.281 249 2HD LYS 32 1HD LYS 32 -1.787 -11.981 -17.990 250 1HE LYS 32 2HE LYS 32 0.494 -10.401 -16.800 251 2HE LYS 32 1HE LYS 32 0.631 -11.902 -17.712 252 1HZ LYS 32 1HZ LYS 32 -0.406 -9.324 -18.772 253 2HZ LYS 32 2HZ LYS 32 -0.260 -10.770 -19.652 254 3HZ LYS 32 3HZ LYS 32 1.129 -9.973 -19.081 255 H ARG 33 H ARG 33 0.021 -10.239 -13.531 256 HA ARG 33 HA ARG 33 -0.472 -13.053 -13.937 257 1HB ARG 33 2HB ARG 33 1.779 -11.556 -13.876 258 2HB ARG 33 1HB ARG 33 1.786 -12.168 -12.232 259 1HG ARG 33 2HG ARG 33 1.393 -14.100 -14.462 260 2HG ARG 33 1HG ARG 33 3.003 -13.440 -14.191 261 1HD ARG 33 2HD ARG 33 2.926 -15.459 -12.980 262 2HD ARG 33 1HD ARG 33 2.749 -14.186 -11.778 263 HE ARG 33 HE ARG 33 0.184 -14.909 -12.468 264 1HH1 ARG 33 1HH1 ARG 33 2.978 -16.550 -11.144 265 2HH1 ARG 33 2HH1 ARG 33 2.035 -17.672 -10.208 266 1HH2 ARG 33 1HH2 ARG 33 -1.063 -16.376 -11.257 267 2HH2 ARG 33 2HH2 ARG 33 -0.268 -17.571 -10.273 268 H VAL 34 H VAL 34 -0.194 -10.867 -11.134 269 HA VAL 34 HA VAL 34 -0.543 -13.030 -9.281 270 HB VAL 34 HB VAL 34 -0.636 -11.291 -7.525 271 1HG1 VAL 34 1HG1 VAL 34 1.619 -11.040 -9.504 272 2HG1 VAL 34 2HG1 VAL 34 1.500 -12.195 -8.175 273 3HG1 VAL 34 3HG1 VAL 34 1.671 -10.472 -7.837 274 1HG2 VAL 34 1HG2 VAL 34 -1.731 -9.513 -8.800 275 2HG2 VAL 34 2HG2 VAL 34 -0.286 -9.342 -9.797 276 3HG2 VAL 34 3HG2 VAL 34 -0.220 -8.957 -8.079 277 H GLY 35 H GLY 35 -2.624 -10.422 -10.449 278 1HA GLY 35 2HA GLY 35 -4.963 -10.611 -10.702 279 2HA GLY 35 1HA GLY 35 -4.950 -11.968 -9.585 280 H ASP 36 H ASP 36 -3.636 -10.941 -7.433 281 HA ASP 36 HA ASP 36 -5.231 -8.603 -6.645 282 1HB ASP 36 2HB ASP 36 -5.205 -9.617 -4.317 283 2HB ASP 36 1HB ASP 36 -6.225 -10.430 -5.496 284 H GLY 37 H GLY 37 -4.206 -7.019 -5.516 285 1HA GLY 37 2HA GLY 37 -1.965 -7.123 -3.963 286 2HA GLY 37 1HA GLY 37 -1.334 -7.018 -5.601 287 H VAL 38 H VAL 38 -0.631 -5.010 -4.028 288 HA VAL 38 HA VAL 38 -2.230 -2.782 -5.068 289 HB VAL 38 HB VAL 38 -1.825 -1.527 -2.921 290 1HG1 VAL 38 1HG1 VAL 38 -4.010 -2.447 -3.461 291 2HG1 VAL 38 2HG1 VAL 38 -3.693 -2.534 -1.728 292 3HG1 VAL 38 3HG1 VAL 38 -3.557 -3.984 -2.721 293 1HG2 VAL 38 1HG2 VAL 38 -1.401 -2.823 -0.892 294 2HG2 VAL 38 2HG2 VAL 38 -0.046 -2.919 -2.019 295 3HG2 VAL 38 3HG2 VAL 38 -1.166 -4.274 -1.867 296 H ILE 39 H ILE 39 -1.083 -1.082 -5.803 297 HA ILE 39 HA ILE 39 1.843 -1.170 -5.485 298 HB ILE 39 HB ILE 39 0.115 0.095 -7.612 299 1HG1 ILE 39 2HG1 ILE 39 1.763 -1.119 -9.107 300 2HG1 ILE 39 1HG1 ILE 39 2.394 -1.897 -7.660 301 1HG2 ILE 39 1HG2 ILE 39 2.126 1.128 -8.556 302 2HG2 ILE 39 2HG2 ILE 39 3.044 0.619 -7.140 303 3HG2 ILE 39 3HG2 ILE 39 1.732 1.786 -6.966 304 1HD1 ILE 39 1HD1 ILE 39 0.867 -3.378 -8.749 305 2HD1 ILE 39 2HD1 ILE 39 -0.383 -2.133 -8.796 306 3HD1 ILE 39 3HD1 ILE 39 0.124 -2.817 -7.250 307 H LEU 40 H LEU 40 2.630 0.136 -4.001 308 HA LEU 40 HA LEU 40 1.084 2.446 -3.112 309 1HB LEU 40 2HB LEU 40 2.216 0.646 -1.618 310 2HB LEU 40 1HB LEU 40 3.699 1.502 -1.969 311 HG LEU 40 HG LEU 40 1.316 2.828 -0.675 312 1HD1 LEU 40 1HD1 LEU 40 3.744 1.593 0.629 313 2HD1 LEU 40 2HD1 LEU 40 2.094 0.975 0.721 314 3HD1 LEU 40 3HD1 LEU 40 2.495 2.532 1.445 315 1HD2 LEU 40 1HD2 LEU 40 4.232 3.596 -0.817 316 2HD2 LEU 40 2HD2 LEU 40 2.961 4.495 0.014 317 3HD2 LEU 40 3HD2 LEU 40 2.929 4.337 -1.743 318 H LEU 41 H LEU 41 1.443 4.327 -4.159 319 HA LEU 41 HA LEU 41 3.977 4.871 -5.439 320 1HB LEU 41 2HB LEU 41 1.398 6.384 -5.150 321 2HB LEU 41 1HB LEU 41 2.834 7.183 -5.756 322 HG LEU 41 HG LEU 41 2.931 5.577 -7.629 323 1HD1 LEU 41 1HD1 LEU 41 1.860 3.656 -6.592 324 2HD1 LEU 41 2HD1 LEU 41 1.022 4.109 -8.075 325 3HD1 LEU 41 3HD1 LEU 41 0.333 4.535 -6.509 326 1HD2 LEU 41 1HD2 LEU 41 0.265 6.946 -7.330 327 2HD2 LEU 41 2HD2 LEU 41 1.005 6.425 -8.844 328 3HD2 LEU 41 3HD2 LEU 41 1.758 7.700 -7.887 329 H SER 42 H SER 42 5.632 6.060 -4.641 330 HA SER 42 HA SER 42 5.783 6.317 -1.833 331 1HB SER 42 2HB SER 42 7.995 7.367 -2.288 332 2HB SER 42 1HB SER 42 7.761 5.849 -3.156 333 HG SER 42 HG SER 42 8.129 8.371 -4.123 334 H SER 43 H SER 43 5.289 8.677 -4.387 335 HA SER 43 HA SER 43 4.772 10.880 -4.410 336 1HB SER 43 2HB SER 43 3.680 10.392 -1.627 337 2HB SER 43 1HB SER 43 3.221 11.685 -2.738 338 HG SER 43 HG SER 43 2.458 9.033 -2.683 339 H ASP 44 H ASP 44 4.806 11.660 -1.147 340 HA ASP 44 HA ASP 44 7.594 12.004 -0.721 341 1HB ASP 44 2HB ASP 44 7.223 13.826 -2.374 342 2HB ASP 44 1HB ASP 44 5.994 14.512 -1.316 343 HA PRO 45 HA PRO 45 5.028 12.238 3.034 344 1HB PRO 45 2HB PRO 45 5.847 9.892 4.127 345 2HB PRO 45 1HB PRO 45 4.569 9.998 2.915 346 1HG PRO 45 2HG PRO 45 7.250 8.887 2.658 347 2HG PRO 45 1HG PRO 45 5.876 8.750 1.551 348 1HD PRO 45 2HD PRO 45 8.177 10.557 1.436 349 2HD PRO 45 1HD PRO 45 6.979 10.181 0.181 350 H ARG 46 H ARG 46 6.018 13.864 4.167 351 HA ARG 46 HA ARG 46 7.657 13.051 6.322 352 1HB ARG 46 2HB ARG 46 9.440 13.180 4.616 353 2HB ARG 46 1HB ARG 46 9.009 14.858 4.304 354 1HG ARG 46 2HG ARG 46 10.977 14.631 5.762 355 2HG ARG 46 1HG ARG 46 9.644 15.483 6.547 356 1HD ARG 46 2HD ARG 46 8.991 13.187 7.489 357 2HD ARG 46 1HD ARG 46 10.606 12.676 7.001 358 HE ARG 46 HE ARG 46 11.386 14.606 8.456 359 1HH1 ARG 46 1HH1 ARG 46 8.446 12.801 9.067 360 2HH1 ARG 46 2HH1 ARG 46 8.443 13.141 10.766 361 1HH2 ARG 46 1HH2 ARG 46 11.385 15.045 10.698 362 2HH2 ARG 46 2HH2 ARG 46 10.108 14.411 11.696 363 H ARG 47 H ARG 47 6.936 15.937 4.358 364 HA ARG 47 HA ARG 47 6.756 17.593 6.698 365 1HB ARG 47 2HB ARG 47 6.295 18.042 3.774 366 2HB ARG 47 1HB ARG 47 5.797 19.253 4.948 367 1HG ARG 47 2HG ARG 47 8.110 19.379 5.770 368 2HG ARG 47 1HG ARG 47 8.591 18.202 4.547 369 1HD ARG 47 2HD ARG 47 8.979 20.654 3.999 370 2HD ARG 47 1HD ARG 47 8.145 19.686 2.781 371 HE ARG 47 HE ARG 47 6.057 20.666 3.966 372 1HH1 ARG 47 1HH1 ARG 47 9.072 22.372 3.453 373 2HH1 ARG 47 2HH1 ARG 47 8.306 23.918 3.292 374 1HH2 ARG 47 1HH2 ARG 47 5.052 22.664 3.765 375 2HH2 ARG 47 2HH2 ARG 47 5.999 24.088 3.431 376 H THR 48 H THR 48 4.521 15.825 4.703 377 HA THR 48 HA THR 48 2.318 16.876 6.344 378 HB THR 48 HB THR 48 0.839 15.920 4.493 379 HG1 THR 48 1HG THR 48 1.751 15.264 2.671 380 1HG2 THR 48 1HG2 THR 48 2.664 18.229 3.833 381 2HG2 THR 48 2HG2 THR 48 1.204 18.317 4.818 382 3HG2 THR 48 3HG2 THR 48 1.091 17.916 3.105 383 HA PRO 49 HA PRO 49 2.731 12.570 7.787 384 1HB PRO 49 2HB PRO 49 1.942 13.554 10.381 385 2HB PRO 49 1HB PRO 49 3.510 12.920 9.878 386 1HG PRO 49 2HG PRO 49 3.067 15.539 10.562 387 2HG PRO 49 1HG PRO 49 4.363 15.001 9.480 388 1HD PRO 49 2HD PRO 49 1.697 16.179 8.808 389 2HD PRO 49 1HD PRO 49 3.285 16.483 8.067 390 H GLU 50 H GLU 50 0.508 13.368 6.358 391 HA GLU 50 HA GLU 50 -1.896 13.300 7.867 392 1HB GLU 50 2HB GLU 50 -1.333 12.749 4.952 393 2HB GLU 50 1HB GLU 50 -2.951 12.762 5.638 394 1HG GLU 50 2HG GLU 50 -2.621 15.091 6.332 395 2HG GLU 50 1HG GLU 50 -1.024 15.071 5.582 396 H VAL 51 H VAL 51 -0.031 10.834 6.159 397 HA VAL 51 HA VAL 51 -1.715 8.768 7.376 398 HB VAL 51 HB VAL 51 -0.357 7.191 5.891 399 1HG1 VAL 51 1HG1 VAL 51 -1.706 7.718 3.903 400 2HG1 VAL 51 2HG1 VAL 51 -2.097 9.292 4.596 401 3HG1 VAL 51 3HG1 VAL 51 -2.653 7.816 5.387 402 1HG2 VAL 51 1HG2 VAL 51 1.507 8.699 5.417 403 2HG2 VAL 51 2HG2 VAL 51 0.411 9.804 4.585 404 3HG2 VAL 51 3HG2 VAL 51 0.710 8.196 3.926 405 H SER 52 H SER 52 -0.802 9.358 9.441 406 HA SER 52 HA SER 52 0.479 8.983 11.261 407 1HB SER 52 2HB SER 52 1.981 7.000 9.532 408 2HB SER 52 1HB SER 52 2.043 7.106 11.292 409 HG SER 52 HG SER 52 0.469 5.703 11.153 410 H ASP 53 H ASP 53 2.815 8.637 8.609 411 HA ASP 53 HA ASP 53 4.000 11.158 8.740 412 1HB ASP 53 2HB ASP 53 4.654 10.308 11.052 413 2HB ASP 53 1HB ASP 53 5.622 9.085 10.239 414 H ASN 54 H ASN 54 5.155 7.813 8.728 415 HA ASN 54 HA ASN 54 5.948 8.121 5.904 416 1HB ASN 54 2HB ASN 54 7.076 6.511 8.173 417 2HB ASN 54 1HB ASN 54 7.241 5.895 6.533 418 1HD2 ASN 54 1HD2 ASN 54 7.219 9.323 7.191 419 2HD2 ASN 54 2HD2 ASN 54 8.893 9.589 6.853 420 HA PRO 55 HA PRO 55 2.842 5.241 4.673 421 1HB PRO 55 2HB PRO 55 4.750 3.658 3.088 422 2HB PRO 55 1HB PRO 55 3.397 4.655 2.551 423 1HG PRO 55 2HG PRO 55 5.938 5.404 2.143 424 2HG PRO 55 1HG PRO 55 4.662 6.584 2.498 425 1HD PRO 55 2HD PRO 55 6.735 5.427 4.328 426 2HD PRO 55 1HD PRO 55 6.185 7.110 4.176 427 H VAL 56 H VAL 56 3.945 4.441 7.159 428 HA VAL 56 HA VAL 56 4.416 1.574 7.026 429 HB VAL 56 HB VAL 56 4.013 3.277 9.494 430 1HG1 VAL 56 1HG1 VAL 56 5.387 0.624 9.100 431 2HG1 VAL 56 2HG1 VAL 56 3.820 0.873 9.869 432 3HG1 VAL 56 3HG1 VAL 56 5.282 1.517 10.615 433 1HG2 VAL 56 1HG2 VAL 56 5.823 4.196 8.127 434 2HG2 VAL 56 2HG2 VAL 56 6.591 2.610 8.083 435 3HG2 VAL 56 3HG2 VAL 56 6.442 3.473 9.613 436 H MET 57 H MET 57 1.821 3.752 7.370 437 HA MET 57 HA MET 57 -0.000 2.416 8.974 438 1HB MET 57 2HB MET 57 -0.294 4.714 8.217 439 2HB MET 57 1HB MET 57 -0.503 4.165 6.560 440 1HG MET 57 2HG MET 57 -2.551 2.982 7.229 441 2HG MET 57 1HG MET 57 -2.346 3.590 8.871 442 1HE MET 57 1HE MET 57 -4.822 4.639 8.834 443 2HE MET 57 2HE MET 57 -5.016 3.957 7.217 444 3HE MET 57 3HE MET 57 -5.407 5.652 7.515 445 H ILE 58 H ILE 58 0.763 1.924 5.579 446 HA ILE 58 HA ILE 58 -1.492 0.344 4.933 447 HB ILE 58 HB ILE 58 1.231 0.461 3.624 448 1HG1 ILE 58 2HG1 ILE 58 -0.225 1.631 1.820 449 2HG1 ILE 58 1HG1 ILE 58 -1.388 1.853 3.120 450 1HG2 ILE 58 1HG2 ILE 58 -1.288 -0.850 2.617 451 2HG2 ILE 58 2HG2 ILE 58 0.182 -1.674 3.133 452 3HG2 ILE 58 3HG2 ILE 58 0.205 -0.646 1.700 453 1HD1 ILE 58 1HD1 ILE 58 0.236 3.133 4.381 454 2HD1 ILE 58 2HD1 ILE 58 0.027 3.819 2.770 455 3HD1 ILE 58 3HD1 ILE 58 1.452 2.847 3.136 456 H ALA 59 H ALA 59 1.766 -0.459 6.045 457 HA ALA 59 HA ALA 59 1.531 -3.258 5.766 458 1HB ALA 59 1HB ALA 59 3.525 -3.389 7.147 459 2HB ALA 59 2HB ALA 59 3.321 -1.704 7.630 460 3HB ALA 59 3HB ALA 59 3.686 -2.102 5.951 461 H GLU 60 H GLU 60 0.661 -1.025 8.303 462 HA GLU 60 HA GLU 60 0.213 -3.016 10.306 463 1HB GLU 60 2HB GLU 60 0.679 -0.545 10.686 464 2HB GLU 60 1HB GLU 60 -0.983 -0.244 10.199 465 1HG GLU 60 2HG GLU 60 -0.921 -0.275 12.566 466 2HG GLU 60 1HG GLU 60 -1.718 -1.760 12.041 467 H LEU 61 H LEU 61 -1.833 -1.217 8.049 468 HA LEU 61 HA LEU 61 -4.328 -2.175 8.944 469 1HB LEU 61 2HB LEU 61 -3.429 -0.374 7.060 470 2HB LEU 61 1HB LEU 61 -4.138 -1.635 6.076 471 HG LEU 61 HG LEU 61 -5.744 0.141 6.496 472 1HD1 LEU 61 1HD1 LEU 61 -6.619 -2.104 6.240 473 2HD1 LEU 61 2HD1 LEU 61 -7.583 -1.200 7.408 474 3HD1 LEU 61 3HD1 LEU 61 -6.419 -2.401 7.967 475 1HD2 LEU 61 1HD2 LEU 61 -5.432 -0.542 9.415 476 2HD2 LEU 61 2HD2 LEU 61 -6.557 0.630 8.728 477 3HD2 LEU 61 3HD2 LEU 61 -4.819 0.915 8.633 478 H LEU 62 H LEU 62 -1.997 -3.417 6.634 479 HA LEU 62 HA LEU 62 -3.532 -5.340 5.332 480 1HB LEU 62 2HB LEU 62 -1.311 -4.703 4.591 481 2HB LEU 62 1HB LEU 62 -0.605 -5.368 6.049 482 HG LEU 62 HG LEU 62 -1.426 -7.624 5.328 483 1HD1 LEU 62 1HD1 LEU 62 -3.179 -6.904 3.807 484 2HD1 LEU 62 2HD1 LEU 62 -2.011 -7.934 2.979 485 3HD1 LEU 62 3HD1 LEU 62 -1.972 -6.188 2.740 486 1HD2 LEU 62 1HD2 LEU 62 0.332 -7.926 3.622 487 2HD2 LEU 62 2HD2 LEU 62 0.888 -7.026 5.034 488 3HD2 LEU 62 3HD2 LEU 62 0.513 -6.173 3.535 489 H ARG 63 H ARG 63 -1.938 -5.438 8.438 490 HA ARG 63 HA ARG 63 -1.775 -8.192 8.800 491 1HB ARG 63 2HB ARG 63 -1.946 -5.920 10.755 492 2HB ARG 63 1HB ARG 63 -1.804 -7.589 11.289 493 1HG ARG 63 2HG ARG 63 0.296 -7.812 10.078 494 2HG ARG 63 1HG ARG 63 0.152 -6.143 9.513 495 1HD ARG 63 2HD ARG 63 0.336 -5.304 11.737 496 2HD ARG 63 1HD ARG 63 0.210 -6.924 12.419 497 HE ARG 63 HE ARG 63 2.401 -7.260 11.044 498 1HH1 ARG 63 1HH1 ARG 63 1.431 -4.356 12.747 499 2HH1 ARG 63 2HH1 ARG 63 3.057 -3.926 13.201 500 1HH2 ARG 63 1HH2 ARG 63 4.536 -6.725 11.666 501 2HH2 ARG 63 2HH2 ARG 63 4.822 -5.269 12.572 502 H GLU 64 H GLU 64 -4.519 -6.034 9.376 503 HA GLU 64 HA GLU 64 -5.986 -8.360 10.379 504 1HB GLU 64 2HB GLU 64 -7.485 -6.774 11.466 505 2HB GLU 64 1HB GLU 64 -5.831 -6.568 11.997 506 1HG GLU 64 2HG GLU 64 -5.627 -4.638 10.480 507 2HG GLU 64 1HG GLU 64 -7.331 -4.825 10.059 508 H PHE 65 H PHE 65 -5.521 -7.494 7.514 509 HA PHE 65 HA PHE 65 -8.219 -6.901 6.612 510 1HB PHE 65 2HB PHE 65 -5.716 -6.521 5.467 511 2HB PHE 65 1HB PHE 65 -6.361 -7.891 4.576 512 HD1 PHE 65 1HD PHE 65 -6.898 -4.361 5.452 513 HD2 PHE 65 2HD PHE 65 -8.169 -7.628 3.034 514 HE1 PHE 65 1HE PHE 65 -8.232 -2.819 4.077 515 HE2 PHE 65 2HE PHE 65 -9.513 -6.086 1.660 516 HZ PHE 65 HZ PHE 65 -9.544 -3.680 2.179 517 HA PRO 66 HA PRO 66 -8.803 -11.342 6.977 518 1HB PRO 66 2HB PRO 66 -11.416 -11.312 7.505 519 2HB PRO 66 1HB PRO 66 -10.236 -10.735 8.688 520 1HG PRO 66 2HG PRO 66 -12.045 -9.187 6.899 521 2HG PRO 66 1HG PRO 66 -11.527 -8.831 8.555 522 1HD PRO 66 2HD PRO 66 -10.449 -7.733 6.208 523 2HD PRO 66 1HD PRO 66 -9.724 -7.662 7.825 524 H GLN 67 H GLN 67 -9.543 -9.424 4.437 525 HA GLN 67 HA GLN 67 -11.549 -11.045 3.155 526 1HB GLN 67 2HB GLN 67 -10.840 -8.454 2.890 527 2HB GLN 67 1HB GLN 67 -9.940 -9.140 1.545 528 1HG GLN 67 2HG GLN 67 -12.913 -9.336 1.999 529 2HG GLN 67 1HG GLN 67 -12.100 -8.321 0.813 530 1HE2 GLN 67 1HE2 GLN 67 -13.102 -11.536 1.633 531 2HE2 GLN 67 2HE2 GLN 67 -12.765 -12.256 0.100 532 H PHE 68 H PHE 68 -8.130 -10.299 2.445 533 HA PHE 68 HA PHE 68 -7.623 -12.962 1.531 534 1HB PHE 68 2HB PHE 68 -6.868 -12.114 -0.789 535 2HB PHE 68 1HB PHE 68 -8.576 -12.410 -0.519 536 HD1 PHE 68 1HD PHE 68 -7.195 -9.372 0.947 537 HD2 PHE 68 2HD PHE 68 -8.985 -11.069 -2.523 538 HE1 PHE 68 1HE PHE 68 -7.735 -7.121 0.124 539 HE2 PHE 68 2HE PHE 68 -9.526 -8.820 -3.349 540 HZ PHE 68 HZ PHE 68 -8.901 -6.842 -2.025 541 H ASP 69 H ASP 69 -5.411 -13.361 1.023 542 HA ASP 69 HA ASP 69 -3.602 -11.471 2.335 543 1HB ASP 69 2HB ASP 69 -3.013 -14.263 1.314 544 2HB ASP 69 1HB ASP 69 -1.972 -13.282 2.338 545 H TRP 70 H TRP 70 -3.860 -9.995 0.465 546 HA TRP 70 HA TRP 70 -2.726 -10.888 -2.037 547 1HB TRP 70 2HB TRP 70 -3.255 -8.569 -2.827 548 2HB TRP 70 1HB TRP 70 -4.634 -9.512 -2.289 549 HD1 TRP 70 HD TRP 70 -3.227 -8.374 0.847 550 HE1 TRP 70 1HE TRP 70 -4.360 -6.205 1.650 551 HE3 TRP 70 3HE TRP 70 -5.478 -6.990 -3.523 552 HZ2 TRP 70 2HZ TRP 70 -5.985 -4.165 0.550 553 HZ3 TRP 70 3HZ TRP 70 -6.800 -4.923 -3.569 554 HH2 TRP 70 HH TRP 70 -7.049 -3.543 -1.576 555 H GLN 71 H GLN 71 -1.235 -9.300 -3.185 556 HA GLN 71 HA GLN 71 1.160 -9.212 -1.561 557 1HB GLN 71 2HB GLN 71 0.687 -8.753 -4.510 558 2HB GLN 71 1HB GLN 71 2.264 -8.622 -3.751 559 1HG GLN 71 2HG GLN 71 2.066 -10.751 -4.838 560 2HG GLN 71 1HG GLN 71 2.124 -10.989 -3.094 561 1HE2 GLN 71 1HE2 GLN 71 0.047 -11.003 -5.912 562 2HE2 GLN 71 2HE2 GLN 71 -1.223 -11.952 -5.225 563 H VAL 72 H VAL 72 2.031 -7.440 -0.713 564 HA VAL 72 HA VAL 72 0.984 -4.828 -1.567 565 HB VAL 72 HB VAL 72 2.387 -5.543 1.020 566 1HG1 VAL 72 1HG1 VAL 72 2.844 -3.261 0.372 567 2HG1 VAL 72 2HG1 VAL 72 1.728 -3.280 1.739 568 3HG1 VAL 72 3HG1 VAL 72 1.128 -2.958 0.109 569 1HG2 VAL 72 1HG2 VAL 72 0.212 -5.196 2.067 570 2HG2 VAL 72 2HG2 VAL 72 0.158 -6.502 0.885 571 3HG2 VAL 72 3HG2 VAL 72 -0.513 -4.924 0.481 572 H ALA 73 H ALA 73 2.287 -3.570 -2.714 573 HA ALA 73 HA ALA 73 5.195 -3.932 -2.471 574 1HB ALA 73 1HB ALA 73 4.425 -5.168 -4.433 575 2HB ALA 73 2HB ALA 73 5.416 -3.785 -4.894 576 3HB ALA 73 3HB ALA 73 3.661 -3.707 -5.055 577 H VAL 74 H VAL 74 6.432 -2.076 -3.291 578 HA VAL 74 HA VAL 74 4.925 0.435 -3.355 579 HB VAL 74 HB VAL 74 5.585 0.082 -1.001 580 1HG1 VAL 74 1HG1 VAL 74 7.947 0.124 -0.355 581 2HG1 VAL 74 2HG1 VAL 74 8.411 0.080 -2.057 582 3HG1 VAL 74 3HG1 VAL 74 7.559 -1.288 -1.339 583 1HG2 VAL 74 1HG2 VAL 74 7.093 2.301 -2.378 584 2HG2 VAL 74 2HG2 VAL 74 6.740 2.224 -0.651 585 3HG2 VAL 74 3HG2 VAL 74 5.423 2.356 -1.815 586 H ALA 75 H ALA 75 5.986 2.117 -4.463 587 HA ALA 75 HA ALA 75 8.122 1.224 -6.231 588 1HB ALA 75 1HB ALA 75 7.735 3.298 -7.443 589 2HB ALA 75 2HB ALA 75 6.628 3.846 -6.185 590 3HB ALA 75 3HB ALA 75 6.215 2.447 -7.177 591 H ASP 76 H ASP 76 10.122 2.327 -6.433 592 HA ASP 76 HA ASP 76 11.428 2.997 -4.086 593 1HB ASP 76 2HB ASP 76 12.110 3.834 -6.913 594 2HB ASP 76 1HB ASP 76 13.195 3.992 -5.538 595 H LEU 77 H LEU 77 10.910 5.379 -6.665 596 HA LEU 77 HA LEU 77 9.484 7.194 -5.032 597 1HB LEU 77 2HB LEU 77 11.066 8.960 -4.742 598 2HB LEU 77 1HB LEU 77 11.732 7.502 -4.043 599 HG LEU 77 HG LEU 77 12.522 8.484 -6.785 600 1HD1 LEU 77 1HD1 LEU 77 13.013 10.229 -5.154 601 2HD1 LEU 77 2HD1 LEU 77 14.497 9.459 -5.718 602 3HD1 LEU 77 3HD1 LEU 77 13.839 9.054 -4.130 603 1HD2 LEU 77 1HD2 LEU 77 13.872 6.623 -4.824 604 2HD2 LEU 77 2HD2 LEU 77 14.499 7.100 -6.402 605 3HD2 LEU 77 3HD2 LEU 77 13.028 6.134 -6.292 606 H GLU 78 H GLU 78 11.551 6.772 -7.856 607 HA GLU 78 HA GLU 78 10.503 9.029 -9.247 608 1HB GLU 78 2HB GLU 78 12.771 7.686 -9.509 609 2HB GLU 78 1HB GLU 78 11.830 6.773 -10.676 610 1HG GLU 78 2HG GLU 78 12.243 9.752 -10.748 611 2HG GLU 78 1HG GLU 78 13.158 8.578 -11.689 612 H GLN 79 H GLN 79 10.024 5.518 -9.506 613 HA GLN 79 HA GLN 79 8.433 5.476 -11.776 614 1HB GLN 79 2HB GLN 79 8.194 3.584 -9.435 615 2HB GLN 79 1HB GLN 79 7.657 3.283 -11.080 616 1HG GLN 79 2HG GLN 79 9.620 2.206 -11.219 617 2HG GLN 79 1HG GLN 79 10.233 3.826 -11.553 618 1HE2 GLN 79 1HE2 GLN 79 9.993 1.269 -9.246 619 2HE2 GLN 79 2HE2 GLN 79 11.211 1.852 -8.153 620 H SER 80 H SER 80 7.536 6.315 -8.521 621 HA SER 80 HA SER 80 4.836 5.857 -8.484 622 1HB SER 80 2HB SER 80 6.241 8.289 -7.363 623 2HB SER 80 1HB SER 80 4.702 7.615 -6.815 624 HG SER 80 HG SER 80 6.975 7.019 -5.823 625 H GLU 81 H GLU 81 6.542 8.540 -10.056 626 HA GLU 81 HA GLU 81 4.118 9.937 -10.685 627 1HB GLU 81 2HB GLU 81 6.375 11.021 -10.455 628 2HB GLU 81 1HB GLU 81 6.832 10.267 -11.976 629 1HG GLU 81 2HG GLU 81 4.336 11.781 -12.112 630 2HG GLU 81 1HG GLU 81 5.744 12.754 -11.697 631 H ALA 82 H ALA 82 6.301 7.766 -12.425 632 HA ALA 82 HA ALA 82 4.968 7.913 -14.911 633 1HB ALA 82 1HB ALA 82 6.667 5.679 -13.814 634 2HB ALA 82 2HB ALA 82 7.266 7.105 -14.662 635 3HB ALA 82 3HB ALA 82 6.249 5.937 -15.508 636 H ILE 83 H ILE 83 4.530 5.870 -12.073 637 HA ILE 83 HA ILE 83 2.647 4.098 -13.258 638 HB ILE 83 HB ILE 83 3.056 4.817 -10.347 639 1HG1 ILE 83 2HG1 ILE 83 3.991 2.418 -11.943 640 2HG1 ILE 83 1HG1 ILE 83 5.008 3.776 -11.467 641 1HG2 ILE 83 1HG2 ILE 83 0.822 3.919 -10.695 642 2HG2 ILE 83 2HG2 ILE 83 1.835 2.748 -9.846 643 3HG2 ILE 83 3HG2 ILE 83 1.498 2.541 -11.564 644 1HD1 ILE 83 1HD1 ILE 83 5.327 1.839 -10.021 645 2HD1 ILE 83 2HD1 ILE 83 3.620 1.882 -9.582 646 3HD1 ILE 83 3HD1 ILE 83 4.681 3.214 -9.126 647 H GLY 84 H GLY 84 2.299 7.063 -11.309 648 1HA GLY 84 2HA GLY 84 -0.527 7.136 -11.359 649 2HA GLY 84 1HA GLY 84 0.532 8.518 -11.105 650 H ASP 85 H ASP 85 1.929 8.184 -13.584 651 HA ASP 85 HA ASP 85 0.332 9.680 -15.368 652 1HB ASP 85 2HB ASP 85 2.801 9.756 -15.293 653 2HB ASP 85 1HB ASP 85 2.868 8.100 -15.869 654 H ARG 86 H ARG 86 1.245 6.299 -15.201 655 HA ARG 86 HA ARG 86 0.249 5.234 -17.526 656 1HB ARG 86 2HB ARG 86 1.393 3.855 -15.940 657 2HB ARG 86 1HB ARG 86 0.188 4.158 -14.708 658 1HG ARG 86 2HG ARG 86 -0.038 1.920 -15.582 659 2HG ARG 86 1HG ARG 86 -1.451 2.886 -16.000 660 1HD ARG 86 2HD ARG 86 -0.631 3.174 -18.254 661 2HD ARG 86 1HD ARG 86 0.865 2.329 -17.852 662 HE ARG 86 HE ARG 86 -0.609 0.351 -17.413 663 1HH1 ARG 86 1HH1 ARG 86 -1.572 2.857 -19.671 664 2HH1 ARG 86 2HH1 ARG 86 -2.611 1.799 -20.585 665 1HH2 ARG 86 1HH2 ARG 86 -1.975 -1.033 -18.610 666 2HH2 ARG 86 2HH2 ARG 86 -2.833 -0.394 -19.988 667 H PHE 87 H PHE 87 -1.562 5.964 -14.571 668 HA PHE 87 HA PHE 87 -4.078 5.353 -15.884 669 1HB PHE 87 2HB PHE 87 -3.897 6.794 -13.258 670 2HB PHE 87 1HB PHE 87 -5.125 5.668 -13.821 671 HD1 PHE 87 1HD PHE 87 -2.495 6.090 -11.637 672 HD2 PHE 87 2HD PHE 87 -4.142 3.201 -14.288 673 HE1 PHE 87 1HE PHE 87 -1.388 4.308 -10.369 674 HE2 PHE 87 2HE PHE 87 -3.024 1.403 -13.024 675 HZ PHE 87 HZ PHE 87 -1.650 1.956 -11.059 676 H ASN 88 H ASN 88 -3.222 8.167 -13.963 677 HA ASN 88 HA ASN 88 -3.034 10.302 -15.478 678 1HB ASN 88 2HB ASN 88 -5.073 9.485 -16.783 679 2HB ASN 88 1HB ASN 88 -6.034 9.862 -15.358 680 1HD2 ASN 88 1HD2 ASN 88 -7.210 11.344 -16.658 681 2HD2 ASN 88 2HD2 ASN 88 -6.564 12.910 -17.021 682 H VAL 89 H VAL 89 -2.703 9.399 -12.821 683 HA VAL 89 HA VAL 89 -4.663 10.712 -11.149 684 HB VAL 89 HB VAL 89 -2.080 9.381 -10.307 685 1HG1 VAL 89 1HG1 VAL 89 -2.958 10.929 -8.642 686 2HG1 VAL 89 2HG1 VAL 89 -3.130 9.258 -8.103 687 3HG1 VAL 89 3HG1 VAL 89 -4.529 10.133 -8.720 688 1HG2 VAL 89 1HG2 VAL 89 -3.515 7.798 -11.465 689 2HG2 VAL 89 2HG2 VAL 89 -4.880 8.269 -10.452 690 3HG2 VAL 89 3HG2 VAL 89 -3.493 7.450 -9.735 691 H ARG 90 H ARG 90 -4.563 12.863 -11.352 692 HA ARG 90 HA ARG 90 -1.981 14.226 -11.186 693 1HB ARG 90 2HB ARG 90 -4.753 15.312 -11.718 694 2HB ARG 90 1HB ARG 90 -3.269 16.250 -11.767 695 1HG ARG 90 2HG ARG 90 -3.902 13.923 -13.569 696 2HG ARG 90 1HG ARG 90 -4.083 15.625 -13.997 697 1HD ARG 90 2HD ARG 90 -1.670 15.944 -13.601 698 2HD ARG 90 1HD ARG 90 -1.519 14.218 -13.265 699 HE ARG 90 HE ARG 90 -2.716 14.467 -15.758 700 1HH1 ARG 90 1HH1 ARG 90 0.331 15.304 -14.265 701 2HH1 ARG 90 2HH1 ARG 90 1.251 15.140 -15.728 702 1HH2 ARG 90 1HH2 ARG 90 -1.537 14.274 -17.692 703 2HH2 ARG 90 2HH2 ARG 90 0.184 14.557 -17.690 704 H ARG 91 H ARG 91 -4.445 13.234 -9.125 705 HA ARG 91 HA ARG 91 -3.848 15.400 -7.223 706 1HB ARG 91 2HB ARG 91 -6.485 13.960 -7.558 707 2HB ARG 91 1HB ARG 91 -6.133 15.194 -6.357 708 1HG ARG 91 2HG ARG 91 -6.106 15.603 -9.338 709 2HG ARG 91 1HG ARG 91 -7.409 16.073 -8.245 710 1HD ARG 91 2HD ARG 91 -6.015 17.659 -7.140 711 2HD ARG 91 1HD ARG 91 -4.578 17.059 -7.969 712 HE ARG 91 HE ARG 91 -6.308 17.875 -9.957 713 1HH1 ARG 91 1HH1 ARG 91 -4.717 19.373 -7.216 714 2HH1 ARG 91 2HH1 ARG 91 -4.572 20.929 -7.978 715 1HH2 ARG 91 1HH2 ARG 91 -6.140 19.925 -10.967 716 2HH2 ARG 91 2HH2 ARG 91 -5.389 21.249 -10.118 717 H PHE 92 H PHE 92 -2.340 14.348 -6.030 718 HA PHE 92 HA PHE 92 -1.609 13.199 -4.228 719 1HB PHE 92 2HB PHE 92 -4.534 12.549 -3.872 720 2HB PHE 92 1HB PHE 92 -3.285 12.148 -2.700 721 HD1 PHE 92 1HD PHE 92 -5.337 14.789 -4.116 722 HD2 PHE 92 2HD PHE 92 -2.145 13.908 -1.446 723 HE1 PHE 92 1HE PHE 92 -5.587 17.012 -3.094 724 HE2 PHE 92 2HE PHE 92 -2.386 16.130 -0.417 725 HZ PHE 92 HZ PHE 92 -4.110 17.686 -1.244 726 HA PRO 93 HA PRO 93 -1.176 9.119 -6.211 727 1HB PRO 93 2HB PRO 93 1.487 9.331 -4.989 728 2HB PRO 93 1HB PRO 93 1.053 9.056 -6.676 729 1HG PRO 93 2HG PRO 93 2.135 11.373 -5.850 730 2HG PRO 93 1HG PRO 93 0.937 11.308 -7.157 731 1HD PRO 93 2HD PRO 93 0.559 12.050 -4.275 732 2HD PRO 93 1HD PRO 93 -0.113 12.817 -5.732 733 H ALA 94 H ALA 94 -0.980 7.056 -5.133 734 HA ALA 94 HA ALA 94 -0.847 6.973 -2.262 735 1HB ALA 94 1HB ALA 94 -3.202 6.349 -1.931 736 2HB ALA 94 2HB ALA 94 -3.521 6.681 -3.634 737 3HB ALA 94 3HB ALA 94 -3.043 7.990 -2.555 738 H THR 95 H THR 95 -2.489 4.712 -1.930 739 HA THR 95 HA THR 95 -0.942 2.695 -3.386 740 HB THR 95 HB THR 95 -2.816 2.224 -1.060 741 HG1 THR 95 1HG THR 95 -0.347 3.423 -1.114 742 1HG2 THR 95 1HG2 THR 95 -0.460 0.673 -2.139 743 2HG2 THR 95 2HG2 THR 95 -2.161 0.237 -2.315 744 3HG2 THR 95 3HG2 THR 95 -1.410 0.236 -0.719 745 H LEU 96 H LEU 96 -1.889 1.852 -5.160 746 HA LEU 96 HA LEU 96 -4.738 2.186 -5.537 747 1HB LEU 96 2HB LEU 96 -2.495 1.194 -7.290 748 2HB LEU 96 1HB LEU 96 -4.169 1.171 -7.796 749 HG LEU 96 HG LEU 96 -2.934 3.060 -8.709 750 1HD1 LEU 96 1HD1 LEU 96 -4.542 4.820 -8.111 751 2HD1 LEU 96 2HD1 LEU 96 -5.101 3.817 -6.771 752 3HD1 LEU 96 3HD1 LEU 96 -5.318 3.268 -8.432 753 1HD2 LEU 96 1HD2 LEU 96 -2.305 4.954 -7.284 754 2HD2 LEU 96 2HD2 LEU 96 -1.348 3.508 -6.968 755 3HD2 LEU 96 3HD2 LEU 96 -2.645 3.965 -5.864 756 H VAL 97 H VAL 97 -6.222 0.622 -5.556 757 HA VAL 97 HA VAL 97 -5.474 -1.962 -4.433 758 HB VAL 97 HB VAL 97 -8.175 -0.680 -4.893 759 1HG1 VAL 97 1HG1 VAL 97 -9.104 -2.495 -3.549 760 2HG1 VAL 97 2HG1 VAL 97 -7.516 -3.259 -3.479 761 3HG1 VAL 97 3HG1 VAL 97 -8.355 -3.105 -5.024 762 1HG2 VAL 97 1HG2 VAL 97 -6.624 -1.161 -2.353 763 2HG2 VAL 97 2HG2 VAL 97 -8.236 -0.449 -2.465 764 3HG2 VAL 97 3HG2 VAL 97 -6.846 0.395 -3.152 765 H PHE 98 H PHE 98 -5.023 -3.562 -5.807 766 HA PHE 98 HA PHE 98 -6.509 -3.705 -8.338 767 1HB PHE 98 2HB PHE 98 -3.757 -4.753 -7.650 768 2HB PHE 98 1HB PHE 98 -4.596 -5.086 -9.159 769 HD1 PHE 98 1HD PHE 98 -2.968 -2.481 -7.147 770 HD2 PHE 98 2HD PHE 98 -4.728 -3.457 -10.893 771 HE1 PHE 98 1HE PHE 98 -2.060 -0.411 -8.114 772 HE2 PHE 98 2HE PHE 98 -3.816 -1.389 -11.859 773 HZ PHE 98 HZ PHE 98 -2.496 0.140 -10.471 774 H THR 99 H THR 99 -7.858 -5.301 -8.556 775 HA THR 99 HA THR 99 -7.388 -7.876 -7.274 776 HB THR 99 HB THR 99 -10.140 -6.712 -7.021 777 HG1 THR 99 1HG THR 99 -7.872 -6.091 -5.458 778 1HG2 THR 99 1HG2 THR 99 -10.261 -8.232 -5.111 779 2HG2 THR 99 2HG2 THR 99 -8.572 -8.672 -5.352 780 3HG2 THR 99 3HG2 THR 99 -9.770 -9.095 -6.574 781 H ASP 100 H ASP 100 -8.450 -9.566 -8.359 782 HA ASP 100 HA ASP 100 -9.353 -10.692 -10.130 783 1HB ASP 100 2HB ASP 100 -11.268 -9.009 -9.647 784 2HB ASP 100 1HB ASP 100 -10.678 -8.152 -11.056 785 H GLY 101 H GLY 101 -6.956 -8.770 -10.235 786 1HA GLY 101 2HA GLY 101 -5.310 -8.371 -11.812 787 2HA GLY 101 1HA GLY 101 -6.354 -9.087 -13.036 788 H LYS 102 H LYS 102 -8.085 -6.828 -11.296 789 HA LYS 102 HA LYS 102 -7.548 -4.760 -13.339 790 1HB LYS 102 2HB LYS 102 -10.194 -5.459 -12.046 791 2HB LYS 102 1HB LYS 102 -9.933 -4.231 -13.279 792 1HG LYS 102 2HG LYS 102 -9.642 -5.779 -14.956 793 2HG LYS 102 1HG LYS 102 -9.149 -7.051 -13.838 794 1HD LYS 102 2HD LYS 102 -11.482 -7.101 -12.974 795 2HD LYS 102 1HD LYS 102 -11.928 -5.959 -14.243 796 1HE LYS 102 2HE LYS 102 -11.421 -7.518 -15.950 797 2HE LYS 102 1HE LYS 102 -10.605 -8.597 -14.818 798 1HZ LYS 102 1HZ LYS 102 -13.506 -7.969 -14.793 799 2HZ LYS 102 2HZ LYS 102 -12.705 -9.046 -13.752 800 3HZ LYS 102 3HZ LYS 102 -12.818 -9.391 -15.408 801 H LEU 103 H LEU 103 -7.971 -2.549 -12.690 802 HA LEU 103 HA LEU 103 -7.182 -2.050 -9.959 803 1HB LEU 103 2HB LEU 103 -6.250 -0.714 -11.795 804 2HB LEU 103 1HB LEU 103 -7.853 -0.141 -12.207 805 HG LEU 103 HG LEU 103 -7.992 1.030 -10.054 806 1HD1 LEU 103 1HD1 LEU 103 -6.028 1.225 -8.622 807 2HD1 LEU 103 2HD1 LEU 103 -5.164 0.079 -9.645 808 3HD1 LEU 103 3HD1 LEU 103 -6.576 -0.449 -8.732 809 1HD2 LEU 103 1HD2 LEU 103 -6.314 2.757 -10.534 810 2HD2 LEU 103 2HD2 LEU 103 -7.151 2.222 -11.991 811 3HD2 LEU 103 3HD2 LEU 103 -5.517 1.653 -11.655 812 H ARG 104 H ARG 104 -8.575 -1.922 -8.358 813 HA ARG 104 HA ARG 104 -11.422 -1.620 -8.930 814 1HB ARG 104 2HB ARG 104 -9.945 -2.309 -6.386 815 2HB ARG 104 1HB ARG 104 -11.694 -2.261 -6.548 816 1HG ARG 104 2HG ARG 104 -10.127 -4.013 -8.377 817 2HG ARG 104 1HG ARG 104 -10.377 -4.517 -6.705 818 1HD ARG 104 2HD ARG 104 -12.107 -5.471 -8.060 819 2HD ARG 104 1HD ARG 104 -12.815 -4.227 -7.034 820 HE ARG 104 HE ARG 104 -12.328 -2.876 -9.313 821 1HH1 ARG 104 1HH1 ARG 104 -13.924 -5.917 -8.666 822 2HH1 ARG 104 2HH1 ARG 104 -14.998 -5.801 -10.023 823 1HH2 ARG 104 1HH2 ARG 104 -13.746 -2.687 -11.088 824 2HH2 ARG 104 2HH2 ARG 104 -14.895 -3.952 -11.406 825 H GLY 105 H GLY 105 -8.957 -0.160 -6.825 826 1HA GLY 105 2HA GLY 105 -10.068 2.450 -7.076 827 2HA GLY 105 1HA GLY 105 -10.515 1.725 -5.538 828 H ALA 106 H ALA 106 -9.320 3.095 -4.259 829 HA ALA 106 HA ALA 106 -6.460 2.569 -4.231 830 1HB ALA 106 1HB ALA 106 -7.554 5.381 -4.335 831 2HB ALA 106 2HB ALA 106 -6.661 4.572 -5.623 832 3HB ALA 106 3HB ALA 106 -5.865 4.931 -4.090 833 H LEU 107 H LEU 107 -5.442 3.459 -2.222 834 HA LEU 107 HA LEU 107 -7.201 2.919 0.014 835 1HB LEU 107 2HB LEU 107 -4.715 2.172 -0.340 836 2HB LEU 107 1HB LEU 107 -4.336 3.764 0.283 837 HG LEU 107 HG LEU 107 -4.230 1.972 2.000 838 1HD1 LEU 107 1HD1 LEU 107 -5.489 3.125 3.734 839 2HD1 LEU 107 2HD1 LEU 107 -6.377 4.024 2.503 840 3HD1 LEU 107 3HD1 LEU 107 -4.640 4.271 2.695 841 1HD2 LEU 107 1HD2 LEU 107 -7.195 1.775 1.500 842 2HD2 LEU 107 2HD2 LEU 107 -6.338 1.019 2.843 843 3HD2 LEU 107 3HD2 LEU 107 -5.987 0.531 1.185 844 H SER 108 H SER 108 -8.580 4.693 -0.009 845 HA SER 108 HA SER 108 -7.367 7.297 0.594 846 1HB SER 108 2HB SER 108 -9.728 8.128 0.074 847 2HB SER 108 1HB SER 108 -8.813 7.468 -1.280 848 HG SER 108 HG SER 108 -10.863 6.578 -1.316 849 H GLY 109 H GLY 109 -8.068 4.837 2.357 850 1HA GLY 109 2HA GLY 109 -10.069 5.846 4.170 851 2HA GLY 109 1HA GLY 109 -9.119 4.381 4.374 852 H ILE 110 H ILE 110 -8.614 7.896 4.275 853 HA ILE 110 HA ILE 110 -6.417 7.701 6.154 854 HB ILE 110 HB ILE 110 -6.376 9.288 4.231 855 1HG1 ILE 110 2HG1 ILE 110 -6.260 10.664 6.920 856 2HG1 ILE 110 1HG1 ILE 110 -4.987 9.647 6.260 857 1HG2 ILE 110 1HG2 ILE 110 -8.490 10.778 5.779 858 2HG2 ILE 110 2HG2 ILE 110 -8.736 9.917 4.260 859 3HG2 ILE 110 3HG2 ILE 110 -7.687 11.336 4.310 860 1HD1 ILE 110 1HD1 ILE 110 -5.981 12.229 5.091 861 2HD1 ILE 110 2HD1 ILE 110 -4.741 11.197 4.379 862 3HD1 ILE 110 3HD1 ILE 110 -4.453 11.975 5.937 863 H HIS 111 H HIS 111 -9.761 8.071 6.259 864 HA HIS 111 HA HIS 111 -9.805 9.372 8.876 865 1HB HIS 111 2HB HIS 111 -11.407 9.996 7.022 866 2HB HIS 111 1HB HIS 111 -12.107 8.391 7.164 867 HD1 HIS 111 1HD HIS 111 -14.386 9.154 7.867 868 HD2 HIS 111 2HD HIS 111 -11.365 10.619 10.326 869 HE1 HIS 111 1HE HIS 111 -15.556 10.200 9.842 870 HE2 HIS 111 2HE HIS 111 -13.714 11.255 11.207 871 HA PRO 112 HA PRO 112 -9.247 5.469 10.841 872 1HB PRO 112 2HB PRO 112 -10.815 6.732 13.038 873 2HB PRO 112 1HB PRO 112 -9.244 5.923 13.090 874 1HG PRO 112 2HG PRO 112 -9.389 8.570 13.190 875 2HG PRO 112 1HG PRO 112 -8.117 7.772 12.244 876 1HD PRO 112 2HD PRO 112 -10.623 9.104 11.313 877 2HD PRO 112 1HD PRO 112 -9.012 9.092 10.572 878 H TRP 113 H TRP 113 -10.672 4.323 9.433 879 HA TRP 113 HA TRP 113 -12.199 2.715 9.108 880 1HB TRP 113 2HB TRP 113 -11.722 2.741 11.926 881 2HB TRP 113 1HB TRP 113 -13.413 2.334 11.633 882 HD1 TRP 113 HD TRP 113 -13.917 0.071 10.287 883 HE1 TRP 113 1HE TRP 113 -12.470 -2.003 9.797 884 HE3 TRP 113 3HE TRP 113 -9.321 1.985 11.460 885 HZ2 TRP 113 2HZ TRP 113 -9.752 -2.721 9.872 886 HZ3 TRP 113 3HZ TRP 113 -7.346 0.535 11.219 887 HH2 TRP 113 HH TRP 113 -7.555 -1.772 10.440 888 H ALA 114 H ALA 114 -14.677 2.229 10.419 889 HA ALA 114 HA ALA 114 -16.870 2.723 10.244 890 1HB ALA 114 1HB ALA 114 -16.387 4.785 11.469 891 2HB ALA 114 2HB ALA 114 -17.657 5.023 10.269 892 3HB ALA 114 3HB ALA 114 -16.022 5.602 9.949 893 H GLU 115 H GLU 115 -15.239 4.945 7.984 894 HA GLU 115 HA GLU 115 -17.192 4.386 5.938 895 1HB GLU 115 2HB GLU 115 -15.781 5.937 4.565 896 2HB GLU 115 1HB GLU 115 -16.394 6.627 6.060 897 1HG GLU 115 2HG GLU 115 -14.197 6.176 7.113 898 2HG GLU 115 1HG GLU 115 -13.604 5.627 5.546 899 H LEU 116 H LEU 116 -14.126 3.154 6.863 900 HA LEU 116 HA LEU 116 -13.233 2.043 4.455 901 1HB LEU 116 2HB LEU 116 -12.884 1.304 7.332 902 2HB LEU 116 1HB LEU 116 -12.330 0.194 6.093 903 HG LEU 116 HG LEU 116 -11.440 3.071 6.258 904 1HD1 LEU 116 1HD1 LEU 116 -10.750 1.877 8.270 905 2HD1 LEU 116 2HD1 LEU 116 -9.370 2.216 7.225 906 3HD1 LEU 116 3HD1 LEU 116 -10.060 0.593 7.279 907 1HD2 LEU 116 1HD2 LEU 116 -9.654 2.308 4.770 908 2HD2 LEU 116 2HD2 LEU 116 -11.242 2.036 4.050 909 3HD2 LEU 116 3HD2 LEU 116 -10.351 0.687 4.759 910 H LEU 117 H LEU 117 -15.718 1.005 6.681 911 HA LEU 117 HA LEU 117 -16.107 -1.587 5.627 912 1HB LEU 117 2HB LEU 117 -18.128 0.223 6.955 913 2HB LEU 117 1HB LEU 117 -18.268 -1.513 6.756 914 HG LEU 117 HG LEU 117 -16.227 -0.089 8.474 915 1HD1 LEU 117 1HD1 LEU 117 -18.487 -0.020 9.394 916 2HD1 LEU 117 2HD1 LEU 117 -17.448 -1.087 10.338 917 3HD1 LEU 117 3HD1 LEU 117 -18.621 -1.770 9.211 918 1HD2 LEU 117 1HD2 LEU 117 -15.611 -2.328 9.240 919 2HD2 LEU 117 2HD2 LEU 117 -15.318 -2.139 7.512 920 3HD2 LEU 117 3HD2 LEU 117 -16.727 -3.038 8.073 921 H THR 118 H THR 118 -17.463 1.573 4.853 922 HA THR 118 HA THR 118 -19.301 0.698 2.888 923 HB THR 118 HB THR 118 -17.956 3.403 2.900 924 HG1 THR 118 1HG THR 118 -20.082 2.495 4.586 925 1HG2 THR 118 1HG2 THR 118 -19.517 2.909 1.067 926 2HG2 THR 118 2HG2 THR 118 -20.148 4.170 2.127 927 3HG2 THR 118 3HG2 THR 118 -20.771 2.525 2.245 928 H LEU 119 H LEU 119 -15.980 1.934 2.739 929 HA LEU 119 HA LEU 119 -15.730 1.967 -0.056 930 1HB LEU 119 2HB LEU 119 -13.616 1.606 2.066 931 2HB LEU 119 1HB LEU 119 -13.285 1.936 0.376 932 HG LEU 119 HG LEU 119 -14.760 3.785 2.257 933 1HD1 LEU 119 1HD1 LEU 119 -12.384 3.605 2.793 934 2HD1 LEU 119 2HD1 LEU 119 -12.760 5.183 2.102 935 3HD1 LEU 119 3HD1 LEU 119 -11.973 3.953 1.114 936 1HD2 LEU 119 1HD2 LEU 119 -13.862 4.158 -0.597 937 2HD2 LEU 119 2HD2 LEU 119 -14.564 5.407 0.430 938 3HD2 LEU 119 3HD2 LEU 119 -15.527 4.006 -0.038 939 H MET 120 H MET 120 -14.763 -0.522 2.307 940 HA MET 120 HA MET 120 -13.726 -2.319 0.409 941 1HB MET 120 2HB MET 120 -14.851 -2.793 3.162 942 2HB MET 120 1HB MET 120 -14.115 -4.061 2.194 943 1HG MET 120 2HG MET 120 -12.029 -2.740 2.123 944 2HG MET 120 1HG MET 120 -12.781 -1.556 3.191 945 1HE MET 120 1HE MET 120 -13.528 -2.102 5.717 946 2HE MET 120 2HE MET 120 -13.382 -3.707 6.433 947 3HE MET 120 3HE MET 120 -14.500 -3.437 5.097 948 H ARG 121 H ARG 121 -16.994 -1.863 1.625 949 HA ARG 121 HA ARG 121 -18.143 -4.232 0.729 950 1HB ARG 121 2HB ARG 121 -19.291 -2.638 2.222 951 2HB ARG 121 1HB ARG 121 -19.410 -1.494 0.896 952 1HG ARG 121 2HG ARG 121 -21.091 -2.627 -0.136 953 2HG ARG 121 1HG ARG 121 -20.563 -4.194 0.474 954 1HD ARG 121 2HD ARG 121 -22.722 -3.364 1.430 955 2HD ARG 121 1HD ARG 121 -21.488 -3.759 2.625 956 HE ARG 121 HE ARG 121 -21.052 -1.288 2.689 957 1HH1 ARG 121 1HH1 ARG 121 -24.188 -2.544 1.746 958 2HH1 ARG 121 2HH1 ARG 121 -25.047 -1.139 2.302 959 1HH2 ARG 121 1HH2 ARG 121 -22.221 0.535 3.473 960 2HH2 ARG 121 2HH2 ARG 121 -23.946 0.570 3.303 961 H SER 122 H SER 122 -17.936 -1.105 -0.988 962 HA SER 122 HA SER 122 -19.111 -2.135 -3.349 963 1HB SER 122 2HB SER 122 -17.611 0.426 -2.787 964 2HB SER 122 1HB SER 122 -18.580 0.098 -4.206 965 HG SER 122 HG SER 122 -20.404 -0.126 -2.844 966 H ILE 123 H ILE 123 -15.802 -1.688 -2.216 967 HA ILE 123 HA ILE 123 -14.698 -1.899 -4.879 968 HB ILE 123 HB ILE 123 -13.392 -1.647 -2.173 969 1HG1 ILE 123 2HG1 ILE 123 -14.528 0.370 -2.927 970 2HG1 ILE 123 1HG1 ILE 123 -12.785 0.605 -3.003 971 1HG2 ILE 123 1HG2 ILE 123 -11.271 -1.352 -3.298 972 2HG2 ILE 123 2HG2 ILE 123 -12.036 -1.617 -4.862 973 3HG2 ILE 123 3HG2 ILE 123 -11.949 -2.933 -3.692 974 1HD1 ILE 123 1HD1 ILE 123 -14.560 -0.054 -5.344 975 2HD1 ILE 123 2HD1 ILE 123 -12.824 0.254 -5.401 976 3HD1 ILE 123 3HD1 ILE 123 -13.933 1.545 -4.942 977 H VAL 124 H VAL 124 -14.649 -3.913 -1.931 978 HA VAL 124 HA VAL 124 -13.744 -6.146 -3.598 979 HB VAL 124 HB VAL 124 -12.381 -6.947 -1.590 980 1HG1 VAL 124 1HG1 VAL 124 -10.427 -5.591 -2.245 981 2HG1 VAL 124 2HG1 VAL 124 -11.503 -4.493 -3.111 982 3HG1 VAL 124 3HG1 VAL 124 -11.345 -6.170 -3.634 983 1HG2 VAL 124 1HG2 VAL 124 -13.280 -5.376 0.063 984 2HG2 VAL 124 2HG2 VAL 124 -12.587 -4.026 -0.837 985 3HG2 VAL 124 3HG2 VAL 124 -11.531 -5.222 -0.085 986 H ASP 125 H ASP 125 -16.015 -6.569 -3.569 987 HA ASP 125 HA ASP 125 -17.420 -7.320 -1.236 988 1HB ASP 125 2HB ASP 125 -18.569 -6.729 -3.310 989 2HB ASP 125 1HB ASP 125 -17.842 -8.109 -4.129 990 H THR 126 H THR 126 -16.538 -9.520 -3.873 991 HA THR 126 HA THR 126 -15.746 -11.636 -3.944 992 HB THR 126 HB THR 126 -14.717 -11.088 -1.153 993 HG1 THR 126 1HG THR 126 -12.971 -10.249 -2.134 994 1HG2 THR 126 1HG2 THR 126 -13.119 -12.900 -1.638 995 2HG2 THR 126 2HG2 THR 126 -13.930 -13.195 -3.178 996 3HG2 THR 126 3HG2 THR 126 -14.784 -13.483 -1.662 997 HA PRO 127 HA PRO 127 -19.390 -13.649 -2.346 998 1HB PRO 127 2HB PRO 127 -18.119 -16.022 -3.580 999 2HB PRO 127 1HB PRO 127 -19.722 -15.334 -3.855 1000 1HG PRO 127 2HG PRO 127 -17.765 -15.080 -5.662 1001 2HG PRO 127 1HG PRO 127 -18.938 -13.782 -5.375 1002 1HD PRO 127 2HD PRO 127 -16.101 -14.014 -4.469 1003 2HD PRO 127 1HD PRO 127 -17.001 -12.581 -5.008 1004 H ALA 128 H ALA 128 -19.121 -13.750 -0.180 1005 HA ALA 128 HA ALA 128 -18.873 -14.701 1.851 1006 1HB ALA 128 1HB ALA 128 -18.763 -17.113 2.017 1007 2HB ALA 128 2HB ALA 128 -18.309 -17.230 0.316 1008 3HB ALA 128 3HB ALA 128 -19.907 -16.633 0.764 1009 H ALA 129 H ALA 129 -17.045 -13.491 2.444 1010 HA ALA 129 HA ALA 129 -14.387 -14.437 2.056 1011 1HB ALA 129 1HB ALA 129 -15.466 -12.614 4.208 1012 2HB ALA 129 2HB ALA 129 -14.881 -12.099 2.627 1013 3HB ALA 129 3HB ALA 129 -13.767 -12.826 3.784 1014 H GLN 130 H GLN 130 -12.977 -15.228 3.842 1015 HA GLN 130 HA GLN 130 -14.388 -17.365 5.203 1016 1HB GLN 130 2HB GLN 130 -11.972 -18.085 5.764 1017 2HB GLN 130 1HB GLN 130 -12.547 -18.237 4.112 1018 1HG GLN 130 2HG GLN 130 -11.409 -16.135 3.544 1019 2HG GLN 130 1HG GLN 130 -10.804 -16.038 5.198 1020 1HE2 GLN 130 1HE2 GLN 130 -9.212 -17.436 5.874 1021 2HE2 GLN 130 2HE2 GLN 130 -8.272 -18.387 4.768 1022 H GLU 131 H GLU 131 -11.881 -14.994 6.180 1023 HA GLU 131 HA GLU 131 -12.554 -15.374 8.949 1024 1HB GLU 131 2HB GLU 131 -10.625 -13.612 7.484 1025 2HB GLU 131 1HB GLU 131 -11.010 -13.269 9.162 1026 1HG GLU 131 2HG GLU 131 -9.007 -14.547 9.092 1027 2HG GLU 131 1HG GLU 131 -10.288 -15.570 9.740 1028 H THR 132 H THR 132 -14.445 -14.639 9.650 1029 HA THR 132 HA THR 132 -15.067 -11.806 9.147 1030 HB THR 132 HB THR 132 -17.519 -12.468 9.367 1031 HG1 THR 132 1HG THR 132 -16.314 -15.021 9.047 1032 1HG2 THR 132 1HG2 THR 132 -16.551 -11.795 7.232 1033 2HG2 THR 132 2HG2 THR 132 -17.717 -13.096 6.995 1034 3HG2 THR 132 3HG2 THR 132 -15.988 -13.442 6.952 1035 H VAL 133 H VAL 133 -16.375 -14.439 11.144 1036 HA VAL 133 HA VAL 133 -16.629 -14.729 13.373 1037 HB VAL 133 HB VAL 133 -14.518 -12.586 13.671 1038 1HG1 VAL 133 1HG1 VAL 133 -15.521 -14.654 15.634 1039 2HG1 VAL 133 2HG1 VAL 133 -15.804 -12.917 15.716 1040 3HG1 VAL 133 3HG1 VAL 133 -14.170 -13.551 15.907 1041 1HG2 VAL 133 1HG2 VAL 133 -14.257 -15.596 13.593 1042 2HG2 VAL 133 2HG2 VAL 133 -12.956 -14.461 13.952 1043 3HG2 VAL 133 3HG2 VAL 133 -13.706 -14.468 12.357 1044 H GLN 134 H GLN 134 -18.711 -14.064 13.582 1045 HA GLN 134 HA GLN 134 -19.063 -11.477 14.868 1046 1HB GLN 134 2HB GLN 134 -21.136 -11.047 13.562 1047 2HB GLN 134 1HB GLN 134 -19.671 -10.982 12.596 1048 1HG GLN 134 2HG GLN 134 -20.136 -13.264 11.792 1049 2HG GLN 134 1HG GLN 134 -21.647 -13.247 12.700 1050 1HE2 GLN 134 1HE2 GLN 134 -23.335 -11.923 12.006 1051 2HE2 GLN 134 2HE2 GLN 134 -23.382 -11.250 10.412 Start of MODEL 6 1 1H MET 1 1HT MET 1 19.102 0.284 -10.798 2 2H MET 1 2HT MET 1 17.519 0.155 -11.397 3 3H MET 1 3HT MET 1 18.158 1.677 -11.016 4 HA MET 1 HA MET 1 19.041 -0.132 -13.171 5 1HB MET 1 2HB MET 1 18.418 2.200 -14.398 6 2HB MET 1 1HB MET 1 17.309 0.849 -14.229 7 1HG MET 1 2HG MET 1 16.194 2.900 -13.671 8 2HG MET 1 1HG MET 1 16.348 1.897 -12.234 9 1HE MET 1 1HE MET 1 15.716 4.024 -10.729 10 2HE MET 1 2HE MET 1 15.575 5.003 -12.191 11 3HE MET 1 3HE MET 1 16.554 5.572 -10.840 12 H ALA 2 H ALA 2 21.144 -0.165 -13.192 13 HA ALA 2 HA ALA 2 23.277 0.487 -13.579 14 1HB ALA 2 1HB ALA 2 23.773 2.676 -14.465 15 2HB ALA 2 2HB ALA 2 22.190 3.269 -13.965 16 3HB ALA 2 3HB ALA 2 22.313 2.039 -15.223 17 H ASN 3 H ASN 3 21.857 3.238 -11.836 18 HA ASN 3 HA ASN 3 24.091 3.887 -10.308 19 1HB ASN 3 2HB ASN 3 21.171 4.255 -9.581 20 2HB ASN 3 1HB ASN 3 22.526 5.128 -8.869 21 1HD2 ASN 3 1HD2 ASN 3 20.522 4.734 -11.683 22 2HD2 ASN 3 2HD2 ASN 3 21.033 6.170 -12.500 23 H ASP 4 H ASP 4 21.158 2.455 -8.922 24 HA ASP 4 HA ASP 4 20.813 0.973 -7.239 25 1HB ASP 4 2HB ASP 4 22.929 -0.343 -8.913 26 2HB ASP 4 1HB ASP 4 22.259 -1.153 -7.500 27 H THR 5 H THR 5 21.742 2.718 -5.789 28 HA THR 5 HA THR 5 24.009 1.562 -4.317 29 HB THR 5 HB THR 5 24.624 3.754 -5.128 30 HG1 THR 5 1HG THR 5 25.149 4.705 -3.132 31 1HG2 THR 5 1HG2 THR 5 23.410 5.783 -4.487 32 2HG2 THR 5 2HG2 THR 5 22.170 4.797 -3.714 33 3HG2 THR 5 3HG2 THR 5 22.402 4.710 -5.460 34 HA PRO 6 HA PRO 6 20.914 0.578 -1.346 35 1HB PRO 6 2HB PRO 6 23.124 -0.029 0.476 36 2HB PRO 6 1HB PRO 6 21.926 -1.114 -0.234 37 1HG PRO 6 2HG PRO 6 24.512 -1.156 -0.985 38 2HG PRO 6 1HG PRO 6 23.193 -1.495 -2.122 39 1HD PRO 6 2HD PRO 6 24.769 1.029 -1.749 40 2HD PRO 6 1HD PRO 6 24.261 0.230 -3.254 41 H PHE 7 H PHE 7 19.914 2.308 -0.552 42 HA PHE 7 HA PHE 7 21.064 3.516 1.850 43 1HB PHE 7 2HB PHE 7 19.898 4.992 -0.501 44 2HB PHE 7 1HB PHE 7 19.843 5.682 1.117 45 HD1 PHE 7 1HD PHE 7 22.089 5.867 2.366 46 HD2 PHE 7 2HD PHE 7 21.747 5.333 -1.840 47 HE1 PHE 7 1HE PHE 7 24.357 6.774 2.071 48 HE2 PHE 7 2HE PHE 7 24.015 6.231 -2.142 49 HZ PHE 7 HZ PHE 7 25.324 6.955 -0.189 50 H SER 8 H SER 8 19.224 4.829 2.966 51 HA SER 8 HA SER 8 17.235 4.867 4.034 52 1HB SER 8 2HB SER 8 16.159 3.334 1.656 53 2HB SER 8 1HB SER 8 15.205 4.199 2.862 54 HG SER 8 HG SER 8 16.544 5.155 0.678 55 H ALA 9 H ALA 9 17.856 3.672 5.762 56 HA ALA 9 HA ALA 9 18.168 0.872 5.810 57 1HB ALA 9 1HB ALA 9 18.203 1.103 8.230 58 2HB ALA 9 2HB ALA 9 17.536 2.730 8.102 59 3HB ALA 9 3HB ALA 9 19.146 2.386 7.472 60 H LEU 10 H LEU 10 15.377 2.912 6.176 61 HA LEU 10 HA LEU 10 13.666 0.968 7.340 62 1HB LEU 10 2HB LEU 10 13.114 3.514 5.826 63 2HB LEU 10 1HB LEU 10 11.833 2.498 6.455 64 HG LEU 10 HG LEU 10 12.125 4.262 8.001 65 1HD1 LEU 10 1HD1 LEU 10 11.784 2.102 9.035 66 2HD1 LEU 10 2HD1 LEU 10 12.823 3.105 10.044 67 3HD1 LEU 10 3HD1 LEU 10 13.524 1.815 9.066 68 1HD2 LEU 10 1HD2 LEU 10 15.072 3.633 7.998 69 2HD2 LEU 10 2HD2 LEU 10 14.276 4.795 9.057 70 3HD2 LEU 10 3HD2 LEU 10 14.302 5.064 7.315 71 H TRP 11 H TRP 11 14.644 1.697 4.086 72 HA TRP 11 HA TRP 11 12.572 0.395 2.689 73 1HB TRP 11 2HB TRP 11 15.092 1.616 2.061 74 2HB TRP 11 1HB TRP 11 14.983 0.067 1.234 75 HD1 TRP 11 HD TRP 11 14.087 3.577 0.774 76 HE1 TRP 11 1HE TRP 11 12.382 3.851 -1.137 77 HE3 TRP 11 3HE TRP 11 12.631 -1.292 0.276 78 HZ2 TRP 11 2HZ TRP 11 10.659 2.211 -2.658 79 HZ3 TRP 11 3HZ TRP 11 10.949 -1.854 -1.425 80 HH2 TRP 11 HH TRP 11 9.982 -0.133 -2.859 81 H GLN 12 H GLN 12 15.561 -0.755 4.137 82 HA GLN 12 HA GLN 12 15.591 -3.348 3.089 83 1HB GLN 12 2HB GLN 12 16.557 -2.435 5.806 84 2HB GLN 12 1HB GLN 12 17.080 -3.862 4.935 85 1HG GLN 12 2HG GLN 12 18.085 -2.493 3.213 86 2HG GLN 12 1HG GLN 12 17.507 -1.034 4.017 87 1HE2 GLN 12 1HE2 GLN 12 19.823 -3.607 4.055 88 2HE2 GLN 12 2HE2 GLN 12 20.848 -2.938 5.278 89 H ARG 13 H ARG 13 13.949 -1.947 5.871 90 HA ARG 13 HA ARG 13 12.948 -4.437 6.844 91 1HB ARG 13 2HB ARG 13 12.301 -1.568 7.464 92 2HB ARG 13 1HB ARG 13 11.389 -2.895 8.175 93 1HG ARG 13 2HG ARG 13 14.348 -2.406 8.448 94 2HG ARG 13 1HG ARG 13 13.115 -2.185 9.696 95 1HD ARG 13 2HD ARG 13 12.624 -4.547 9.687 96 2HD ARG 13 1HD ARG 13 13.727 -4.806 8.337 97 HE ARG 13 HE ARG 13 14.892 -3.692 10.762 98 1HH1 ARG 13 1HH1 ARG 13 14.309 -6.504 8.744 99 2HH1 ARG 13 2HH1 ARG 13 15.501 -7.484 9.544 100 1HH2 ARG 13 1HH2 ARG 13 16.472 -4.999 11.814 101 2HH2 ARG 13 2HH2 ARG 13 16.724 -6.627 11.262 102 H LEU 14 H LEU 14 11.824 -2.052 4.559 103 HA LEU 14 HA LEU 14 9.159 -2.909 4.346 104 1HB LEU 14 2HB LEU 14 10.976 -1.794 2.210 105 2HB LEU 14 1HB LEU 14 9.239 -1.967 2.055 106 HG LEU 14 HG LEU 14 10.693 -0.160 3.990 107 1HD1 LEU 14 1HD1 LEU 14 9.666 1.640 2.706 108 2HD1 LEU 14 2HD1 LEU 14 8.955 0.459 1.607 109 3HD1 LEU 14 3HD1 LEU 14 10.707 0.643 1.689 110 1HD2 LEU 14 1HD2 LEU 14 8.481 0.646 4.636 111 2HD2 LEU 14 2HD2 LEU 14 8.665 -1.070 5.001 112 3HD2 LEU 14 3HD2 LEU 14 7.730 -0.563 3.595 113 H LEU 15 H LEU 15 12.065 -3.924 2.547 114 HA LEU 15 HA LEU 15 10.832 -6.013 1.124 115 1HB LEU 15 2HB LEU 15 13.657 -5.401 1.880 116 2HB LEU 15 1HB LEU 15 13.278 -6.972 1.202 117 HG LEU 15 HG LEU 15 12.311 -5.814 -0.790 118 1HD1 LEU 15 1HD1 LEU 15 11.815 -3.663 0.207 119 2HD1 LEU 15 2HD1 LEU 15 12.902 -3.473 -1.169 120 3HD1 LEU 15 3HD1 LEU 15 13.534 -3.372 0.476 121 1HD2 LEU 15 1HD2 LEU 15 15.199 -5.239 -0.155 122 2HD2 LEU 15 2HD2 LEU 15 14.481 -5.231 -1.766 123 3HD2 LEU 15 3HD2 LEU 15 14.554 -6.731 -0.840 124 H THR 16 H THR 16 12.108 -5.823 4.372 125 HA THR 16 HA THR 16 12.230 -8.545 4.998 126 HB THR 16 HB THR 16 11.447 -6.280 6.848 127 HG1 THR 16 1HG THR 16 13.625 -6.367 5.606 128 1HG2 THR 16 1HG2 THR 16 12.578 -9.016 7.454 129 2HG2 THR 16 2HG2 THR 16 10.936 -8.473 7.796 130 3HG2 THR 16 3HG2 THR 16 12.299 -7.735 8.634 131 H ARG 17 H ARG 17 9.518 -6.248 5.374 132 HA ARG 17 HA ARG 17 7.690 -8.236 6.275 133 1HB ARG 17 2HB ARG 17 7.172 -5.505 5.081 134 2HB ARG 17 1HB ARG 17 5.939 -6.525 5.807 135 1HG ARG 17 2HG ARG 17 7.295 -6.454 7.930 136 2HG ARG 17 1HG ARG 17 8.271 -5.200 7.160 137 1HD ARG 17 2HD ARG 17 6.202 -3.877 6.799 138 2HD ARG 17 1HD ARG 17 5.301 -5.102 7.691 139 HE ARG 17 HE ARG 17 7.562 -3.804 9.031 140 1HH1 ARG 17 1HH1 ARG 17 4.094 -4.275 8.765 141 2HH1 ARG 17 2HH1 ARG 17 3.739 -3.396 10.214 142 1HH2 ARG 17 1HH2 ARG 17 7.078 -2.632 10.940 143 2HH2 ARG 17 2HH2 ARG 17 5.421 -2.437 11.436 144 H GLY 18 H GLY 18 8.261 -6.708 3.118 145 1HA GLY 18 2HA GLY 18 8.141 -8.589 1.347 146 2HA GLY 18 1HA GLY 18 6.480 -8.717 1.908 147 H TRP 19 H TRP 19 8.333 -5.748 1.490 148 HA TRP 19 HA TRP 19 6.284 -4.778 -0.344 149 1HB TRP 19 2HB TRP 19 8.553 -3.379 1.080 150 2HB TRP 19 1HB TRP 19 7.473 -2.581 -0.055 151 HD1 TRP 19 HD TRP 19 6.591 -4.970 2.889 152 HE1 TRP 19 1HE TRP 19 4.891 -3.762 4.392 153 HE3 TRP 19 3HE TRP 19 6.405 -0.482 0.465 154 HZ2 TRP 19 2HZ TRP 19 3.650 -1.234 4.545 155 HZ3 TRP 19 3HZ TRP 19 4.947 1.283 1.353 156 HH2 TRP 19 HH TRP 19 3.595 0.914 3.354 157 H GLN 20 H GLN 20 6.568 -4.735 -2.444 158 HA GLN 20 HA GLN 20 9.232 -5.280 -3.531 159 1HB GLN 20 2HB GLN 20 6.489 -5.570 -4.771 160 2HB GLN 20 1HB GLN 20 8.004 -6.067 -5.494 161 1HG GLN 20 2HG GLN 20 6.954 -7.178 -2.913 162 2HG GLN 20 1HG GLN 20 6.663 -7.911 -4.490 163 1HE2 GLN 20 1HE2 GLN 20 9.081 -7.181 -2.069 164 2HE2 GLN 20 2HE2 GLN 20 10.277 -8.280 -2.668 165 HA PRO 21 HA PRO 21 9.100 -1.024 -5.060 166 1HB PRO 21 2HB PRO 21 11.645 -1.794 -6.321 167 2HB PRO 21 1HB PRO 21 11.315 -0.497 -5.171 168 1HG PRO 21 2HG PRO 21 12.685 -2.673 -4.446 169 2HG PRO 21 1HG PRO 21 11.557 -1.876 -3.338 170 1HD PRO 21 2HD PRO 21 11.144 -4.354 -4.984 171 2HD PRO 21 1HD PRO 21 10.707 -4.045 -3.288 172 H VAL 22 H VAL 22 7.646 -0.891 -6.654 173 HA VAL 22 HA VAL 22 8.053 -2.483 -9.078 174 HB VAL 22 HB VAL 22 5.690 -1.844 -9.629 175 1HG1 VAL 22 1HG1 VAL 22 6.171 -3.351 -7.058 176 2HG1 VAL 22 2HG1 VAL 22 6.236 -4.016 -8.690 177 3HG1 VAL 22 3HG1 VAL 22 4.704 -3.441 -8.033 178 1HG2 VAL 22 1HG2 VAL 22 4.278 -1.041 -7.768 179 2HG2 VAL 22 2HG2 VAL 22 5.485 0.148 -8.261 180 3HG2 VAL 22 3HG2 VAL 22 5.731 -0.800 -6.795 181 H GLU 23 H GLU 23 6.932 -1.292 -11.036 182 HA GLU 23 HA GLU 23 7.926 1.436 -11.265 183 1HB GLU 23 2HB GLU 23 8.920 -0.794 -13.057 184 2HB GLU 23 1HB GLU 23 9.274 0.912 -13.252 185 1HG GLU 23 2HG GLU 23 10.484 0.912 -11.136 186 2HG GLU 23 1HG GLU 23 10.128 -0.803 -10.930 187 H ALA 24 H ALA 24 7.283 2.402 -13.342 188 HA ALA 24 HA ALA 24 4.615 1.619 -14.044 189 1HB ALA 24 1HB ALA 24 6.399 3.685 -15.325 190 2HB ALA 24 2HB ALA 24 5.300 3.972 -13.977 191 3HB ALA 24 3HB ALA 24 4.660 3.524 -15.558 192 H SER 25 H SER 25 7.718 0.814 -15.167 193 HA SER 25 HA SER 25 6.951 0.189 -17.866 194 1HB SER 25 2HB SER 25 9.303 -0.822 -17.888 195 2HB SER 25 1HB SER 25 9.189 0.913 -17.590 196 HG SER 25 HG SER 25 10.226 0.535 -15.807 197 H THR 26 H THR 26 6.814 -1.417 -14.848 198 HA THR 26 HA THR 26 6.328 -3.963 -16.237 199 HB THR 26 HB THR 26 8.555 -4.061 -15.216 200 HG1 THR 26 1HG THR 26 6.473 -5.651 -14.144 201 1HG2 THR 26 1HG2 THR 26 8.225 -2.446 -13.406 202 2HG2 THR 26 2HG2 THR 26 8.832 -3.981 -12.787 203 3HG2 THR 26 3HG2 THR 26 7.127 -3.569 -12.600 204 H VAL 27 H VAL 27 4.742 -1.683 -14.813 205 HA VAL 27 HA VAL 27 3.571 -2.823 -12.514 206 HB VAL 27 HB VAL 27 3.467 -0.425 -12.905 207 1HG1 VAL 27 1HG1 VAL 27 1.957 0.539 -14.566 208 2HG1 VAL 27 2HG1 VAL 27 1.631 -1.073 -15.202 209 3HG1 VAL 27 3HG1 VAL 27 3.254 -0.391 -15.314 210 1HG2 VAL 27 1HG2 VAL 27 0.720 -1.682 -12.856 211 2HG2 VAL 27 2HG2 VAL 27 1.107 -0.038 -12.344 212 3HG2 VAL 27 3HG2 VAL 27 1.768 -1.417 -11.464 213 H ASP 28 H ASP 28 2.666 -2.912 -15.932 214 HA ASP 28 HA ASP 28 0.153 -4.144 -15.621 215 1HB ASP 28 2HB ASP 28 2.067 -4.387 -17.952 216 2HB ASP 28 1HB ASP 28 0.341 -4.723 -17.988 217 H ASP 29 H ASP 29 3.363 -5.491 -16.285 218 HA ASP 29 HA ASP 29 2.537 -8.179 -16.451 219 1HB ASP 29 2HB ASP 29 4.673 -7.336 -17.371 220 2HB ASP 29 1HB ASP 29 5.272 -7.114 -15.730 221 H TRP 30 H TRP 30 3.792 -6.246 -13.766 222 HA TRP 30 HA TRP 30 4.197 -8.359 -11.972 223 1HB TRP 30 2HB TRP 30 5.030 -5.983 -11.713 224 2HB TRP 30 1HB TRP 30 3.401 -5.546 -11.202 225 HD1 TRP 30 HD TRP 30 6.391 -7.702 -10.070 226 HE1 TRP 30 1HE TRP 30 6.220 -8.065 -7.526 227 HE3 TRP 30 3HE TRP 30 1.840 -5.512 -9.244 228 HZ2 TRP 30 2HZ TRP 30 4.399 -7.488 -5.451 229 HZ3 TRP 30 3HZ TRP 30 0.955 -5.463 -6.949 230 HH2 TRP 30 HH TRP 30 2.208 -6.431 -5.091 231 H ILE 31 H ILE 31 1.391 -6.228 -12.435 232 HA ILE 31 HA ILE 31 -0.251 -7.404 -10.480 233 HB ILE 31 HB ILE 31 -0.977 -5.937 -13.018 234 1HG1 ILE 31 2HG1 ILE 31 0.224 -4.575 -11.402 235 2HG1 ILE 31 1HG1 ILE 31 -1.464 -4.083 -11.436 236 1HG2 ILE 31 1HG2 ILE 31 -2.845 -7.357 -12.382 237 2HG2 ILE 31 2HG2 ILE 31 -3.222 -5.664 -12.066 238 3HG2 ILE 31 3HG2 ILE 31 -2.780 -6.732 -10.733 239 1HD1 ILE 31 1HD1 ILE 31 -0.203 -5.869 -9.373 240 2HD1 ILE 31 2HD1 ILE 31 -1.887 -5.347 -9.400 241 3HD1 ILE 31 3HD1 ILE 31 -0.597 -4.165 -9.161 242 H LYS 32 H LYS 32 0.224 -8.124 -13.895 243 HA LYS 32 HA LYS 32 -1.754 -10.069 -14.221 244 1HB LYS 32 2HB LYS 32 -0.313 -8.991 -16.012 245 2HB LYS 32 1HB LYS 32 0.975 -10.083 -15.532 246 1HG LYS 32 2HG LYS 32 -1.713 -11.074 -16.443 247 2HG LYS 32 1HG LYS 32 -0.404 -10.719 -17.566 248 1HD LYS 32 2HD LYS 32 -0.230 -12.681 -15.278 249 2HD LYS 32 1HD LYS 32 -0.568 -13.119 -16.954 250 1HE LYS 32 2HE LYS 32 1.932 -11.752 -15.958 251 2HE LYS 32 1HE LYS 32 1.791 -13.462 -16.361 252 1HZ LYS 32 1HZ LYS 32 1.088 -12.643 -18.652 253 2HZ LYS 32 2HZ LYS 32 2.723 -12.474 -18.240 254 3HZ LYS 32 3HZ LYS 32 1.695 -11.129 -18.180 255 H ARG 33 H ARG 33 1.557 -10.311 -13.015 256 HA ARG 33 HA ARG 33 1.583 -13.168 -12.916 257 1HB ARG 33 2HB ARG 33 3.570 -11.531 -13.039 258 2HB ARG 33 1HB ARG 33 3.368 -11.362 -11.307 259 1HG ARG 33 2HG ARG 33 3.386 -14.091 -11.679 260 2HG ARG 33 1HG ARG 33 4.589 -13.504 -12.828 261 1HD ARG 33 2HD ARG 33 4.497 -12.894 -9.875 262 2HD ARG 33 1HD ARG 33 5.605 -14.010 -10.669 263 HE ARG 33 HE ARG 33 5.858 -11.472 -11.854 264 1HH1 ARG 33 1HH1 ARG 33 6.570 -13.113 -8.837 265 2HH1 ARG 33 2HH1 ARG 33 7.922 -12.096 -8.456 266 1HH2 ARG 33 1HH2 ARG 33 7.619 -10.132 -11.360 267 2HH2 ARG 33 2HH2 ARG 33 8.519 -10.387 -9.886 268 H VAL 34 H VAL 34 1.222 -10.614 -10.488 269 HA VAL 34 HA VAL 34 1.083 -12.522 -8.343 270 HB VAL 34 HB VAL 34 0.687 -10.634 -6.855 271 1HG1 VAL 34 1HG1 VAL 34 2.969 -11.176 -7.457 272 2HG1 VAL 34 2HG1 VAL 34 2.788 -9.434 -7.247 273 3HG1 VAL 34 3HG1 VAL 34 2.868 -10.123 -8.869 274 1HG2 VAL 34 1HG2 VAL 34 0.671 -8.331 -7.712 275 2HG2 VAL 34 2HG2 VAL 34 -0.736 -9.249 -8.245 276 3HG2 VAL 34 3HG2 VAL 34 0.601 -8.955 -9.360 277 H GLY 35 H GLY 35 -1.251 -10.621 -10.141 278 1HA GLY 35 2HA GLY 35 -3.517 -11.064 -10.413 279 2HA GLY 35 1HA GLY 35 -3.404 -12.293 -9.159 280 H ASP 36 H ASP 36 -2.524 -11.071 -7.019 281 HA ASP 36 HA ASP 36 -4.395 -8.851 -6.559 282 1HB ASP 36 2HB ASP 36 -3.797 -11.181 -4.722 283 2HB ASP 36 1HB ASP 36 -4.725 -9.762 -4.264 284 H GLY 37 H GLY 37 -3.484 -7.074 -5.773 285 1HA GLY 37 2HA GLY 37 -1.444 -7.008 -3.831 286 2HA GLY 37 1HA GLY 37 -0.712 -6.832 -5.421 287 H VAL 38 H VAL 38 -0.323 -4.774 -3.830 288 HA VAL 38 HA VAL 38 -2.152 -2.732 -4.892 289 HB VAL 38 HB VAL 38 -1.876 -1.460 -2.731 290 1HG1 VAL 38 1HG1 VAL 38 -3.956 -2.577 -3.261 291 2HG1 VAL 38 2HG1 VAL 38 -3.615 -2.736 -1.540 292 3HG1 VAL 38 3HG1 VAL 38 -3.335 -4.098 -2.624 293 1HG2 VAL 38 1HG2 VAL 38 -1.323 -2.744 -0.712 294 2HG2 VAL 38 2HG2 VAL 38 0.043 -2.660 -1.823 295 3HG2 VAL 38 3HG2 VAL 38 -0.914 -4.138 -1.713 296 H ILE 39 H ILE 39 -1.100 -1.168 -5.949 297 HA ILE 39 HA ILE 39 1.779 -0.864 -5.556 298 HB ILE 39 HB ILE 39 -0.111 0.174 -7.659 299 1HG1 ILE 39 2HG1 ILE 39 1.744 -0.736 -9.154 300 2HG1 ILE 39 1HG1 ILE 39 2.460 -1.422 -7.705 301 1HG2 ILE 39 1HG2 ILE 39 1.678 1.551 -8.596 302 2HG2 ILE 39 2HG2 ILE 39 2.694 1.179 -7.206 303 3HG2 ILE 39 3HG2 ILE 39 1.211 2.107 -6.987 304 1HD1 ILE 39 1HD1 ILE 39 -0.245 -2.066 -8.849 305 2HD1 ILE 39 2HD1 ILE 39 0.401 -2.715 -7.340 306 3HD1 ILE 39 3HD1 ILE 39 1.193 -3.092 -8.871 307 H LEU 40 H LEU 40 2.455 0.455 -4.054 308 HA LEU 40 HA LEU 40 0.788 2.680 -3.180 309 1HB LEU 40 2HB LEU 40 2.079 0.940 -1.706 310 2HB LEU 40 1HB LEU 40 3.458 1.971 -2.024 311 HG LEU 40 HG LEU 40 0.910 3.038 -0.825 312 1HD1 LEU 40 1HD1 LEU 40 3.329 1.924 0.583 313 2HD1 LEU 40 2HD1 LEU 40 1.702 1.241 0.592 314 3HD1 LEU 40 3HD1 LEU 40 2.007 2.802 1.353 315 1HD2 LEU 40 1HD2 LEU 40 3.759 4.028 -0.734 316 2HD2 LEU 40 2HD2 LEU 40 2.352 4.819 -0.027 317 3HD2 LEU 40 3HD2 LEU 40 2.491 4.669 -1.779 318 H LEU 41 H LEU 41 1.205 4.732 -3.684 319 HA LEU 41 HA LEU 41 3.444 5.261 -5.471 320 1HB LEU 41 2HB LEU 41 0.990 6.846 -4.741 321 2HB LEU 41 1HB LEU 41 2.293 7.532 -5.683 322 HG LEU 41 HG LEU 41 1.911 5.700 -7.374 323 1HD1 LEU 41 1HD1 LEU 41 0.717 4.128 -5.930 324 2HD1 LEU 41 2HD1 LEU 41 -0.235 4.551 -7.355 325 3HD1 LEU 41 3HD1 LEU 41 -0.619 5.272 -5.791 326 1HD2 LEU 41 1HD2 LEU 41 -0.053 6.787 -8.357 327 2HD2 LEU 41 2HD2 LEU 41 1.100 7.965 -7.727 328 3HD2 LEU 41 3HD2 LEU 41 -0.368 7.594 -6.823 329 H SER 42 H SER 42 5.288 5.726 -4.514 330 HA SER 42 HA SER 42 6.869 6.769 -3.309 331 1HB SER 42 2HB SER 42 4.768 8.867 -2.739 332 2HB SER 42 1HB SER 42 6.520 9.065 -2.635 333 HG SER 42 HG SER 42 6.213 8.195 -5.008 334 H SER 43 H SER 43 4.475 8.136 -1.154 335 HA SER 43 HA SER 43 4.596 6.207 0.884 336 1HB SER 43 2HB SER 43 6.985 6.781 0.976 337 2HB SER 43 1HB SER 43 6.584 8.486 1.156 338 HG SER 43 HG SER 43 7.094 7.408 3.147 339 H ASP 44 H ASP 44 5.102 9.703 1.091 340 HA ASP 44 HA ASP 44 2.368 10.383 1.386 341 1HB ASP 44 2HB ASP 44 2.532 9.384 3.574 342 2HB ASP 44 1HB ASP 44 4.025 10.253 3.914 343 HA PRO 45 HA PRO 45 5.157 14.265 1.974 344 1HB PRO 45 2HB PRO 45 7.849 13.935 1.931 345 2HB PRO 45 1HB PRO 45 6.905 13.907 3.426 346 1HG PRO 45 2HG PRO 45 7.957 11.621 1.801 347 2HG PRO 45 1HG PRO 45 7.947 11.833 3.564 348 1HD PRO 45 2HD PRO 45 6.132 10.298 2.262 349 2HD PRO 45 1HD PRO 45 5.749 11.176 3.755 350 H ARG 46 H ARG 46 5.704 15.536 0.244 351 HA ARG 46 HA ARG 46 6.454 14.112 -2.227 352 1HB ARG 46 2HB ARG 46 4.262 15.605 -1.922 353 2HB ARG 46 1HB ARG 46 5.387 16.898 -2.307 354 1HG ARG 46 2HG ARG 46 4.224 16.105 -4.300 355 2HG ARG 46 1HG ARG 46 5.959 15.795 -4.407 356 1HD ARG 46 2HD ARG 46 5.637 13.490 -3.810 357 2HD ARG 46 1HD ARG 46 3.926 13.766 -3.502 358 HE ARG 46 HE ARG 46 4.291 14.478 -6.134 359 1HH1 ARG 46 1HH1 ARG 46 4.917 11.616 -4.220 360 2HH1 ARG 46 2HH1 ARG 46 4.631 10.512 -5.521 361 1HH2 ARG 46 1HH2 ARG 46 3.882 13.044 -7.854 362 2HH2 ARG 46 2HH2 ARG 46 4.004 11.335 -7.605 363 H ARG 47 H ARG 47 7.495 16.275 0.139 364 HA ARG 47 HA ARG 47 10.076 16.462 -1.079 365 1HB ARG 47 2HB ARG 47 8.893 18.386 -2.147 366 2HB ARG 47 1HB ARG 47 8.603 19.053 -0.545 367 1HG ARG 47 2HG ARG 47 11.046 19.157 -0.188 368 2HG ARG 47 1HG ARG 47 11.279 18.597 -1.845 369 1HD ARG 47 2HD ARG 47 9.941 21.148 -0.966 370 2HD ARG 47 1HD ARG 47 11.505 20.996 -1.761 371 HE ARG 47 HE ARG 47 8.876 20.654 -2.995 372 1HH1 ARG 47 1HH1 ARG 47 12.359 20.662 -3.331 373 2HH1 ARG 47 2HH1 ARG 47 12.317 20.831 -5.061 374 1HH2 ARG 47 1HH2 ARG 47 8.816 20.888 -5.258 375 2HH2 ARG 47 2HH2 ARG 47 10.309 20.947 -6.152 376 H THR 48 H THR 48 8.159 18.256 1.347 377 HA THR 48 HA THR 48 10.301 17.899 3.284 378 HB THR 48 HB THR 48 7.669 19.323 3.703 379 HG1 THR 48 1HG THR 48 8.554 20.411 2.017 380 1HG2 THR 48 1HG2 THR 48 10.370 19.603 5.037 381 2HG2 THR 48 2HG2 THR 48 8.936 18.855 5.740 382 3HG2 THR 48 3HG2 THR 48 8.945 20.583 5.391 383 HA PRO 49 HA PRO 49 8.022 14.427 5.059 384 1HB PRO 49 2HB PRO 49 10.326 14.083 6.789 385 2HB PRO 49 1HB PRO 49 9.755 13.033 5.490 386 1HG PRO 49 2HG PRO 49 12.074 14.459 5.352 387 2HG PRO 49 1HG PRO 49 11.121 14.000 3.930 388 1HD PRO 49 2HD PRO 49 11.227 16.622 5.376 389 2HD PRO 49 1HD PRO 49 11.175 16.300 3.629 390 H GLU 50 H GLU 50 6.453 15.185 6.350 391 HA GLU 50 HA GLU 50 7.006 17.010 8.513 392 1HB GLU 50 2HB GLU 50 5.002 17.334 7.193 393 2HB GLU 50 1HB GLU 50 4.457 15.703 7.545 394 1HG GLU 50 2HG GLU 50 3.217 17.334 8.832 395 2HG GLU 50 1HG GLU 50 4.166 16.287 9.887 396 H VAL 51 H VAL 51 5.022 14.062 8.547 397 HA VAL 51 HA VAL 51 6.300 13.329 11.109 398 HB VAL 51 HB VAL 51 3.473 12.686 10.229 399 1HG1 VAL 51 1HG1 VAL 51 4.854 12.231 12.869 400 2HG1 VAL 51 2HG1 VAL 51 4.407 10.989 11.700 401 3HG1 VAL 51 3HG1 VAL 51 3.153 11.913 12.526 402 1HG2 VAL 51 1HG2 VAL 51 3.725 15.063 10.695 403 2HG2 VAL 51 2HG2 VAL 51 4.441 14.689 12.264 404 3HG2 VAL 51 3HG2 VAL 51 2.755 14.279 11.945 405 H SER 52 H SER 52 5.254 12.335 7.961 406 HA SER 52 HA SER 52 5.597 9.520 8.462 407 1HB SER 52 2HB SER 52 5.077 9.366 6.001 408 2HB SER 52 1HB SER 52 3.841 10.174 6.969 409 HG SER 52 HG SER 52 4.144 11.535 5.290 410 H ASP 53 H ASP 53 7.311 8.289 7.988 411 HA ASP 53 HA ASP 53 9.444 9.408 6.289 412 1HB ASP 53 2HB ASP 53 9.469 7.081 8.235 413 2HB ASP 53 1HB ASP 53 10.781 7.416 7.115 414 H ASN 54 H ASN 54 7.911 6.320 7.021 415 HA ASN 54 HA ASN 54 7.626 5.787 4.149 416 1HB ASN 54 2HB ASN 54 8.533 3.895 6.331 417 2HB ASN 54 1HB ASN 54 7.989 3.342 4.751 418 1HD2 ASN 54 1HD2 ASN 54 10.436 5.169 6.456 419 2HD2 ASN 54 2HD2 ASN 54 11.636 5.100 5.216 420 HA PRO 55 HA PRO 55 3.393 5.104 4.989 421 1HB PRO 55 2HB PRO 55 3.352 2.604 3.440 422 2HB PRO 55 1HB PRO 55 2.546 4.141 3.115 423 1HG PRO 55 2HG PRO 55 4.630 3.315 1.642 424 2HG PRO 55 1HG PRO 55 4.379 5.028 2.023 425 1HD PRO 55 2HD PRO 55 6.262 3.067 3.279 426 2HD PRO 55 1HD PRO 55 6.538 4.762 2.822 427 H VAL 56 H VAL 56 3.581 4.625 7.196 428 HA VAL 56 HA VAL 56 4.021 1.974 8.154 429 HB VAL 56 HB VAL 56 3.203 2.946 10.349 430 1HG1 VAL 56 1HG1 VAL 56 5.484 4.324 8.937 431 2HG1 VAL 56 2HG1 VAL 56 5.568 2.783 9.790 432 3HG1 VAL 56 3HG1 VAL 56 5.241 4.269 10.683 433 1HG2 VAL 56 1HG2 VAL 56 1.799 4.722 9.490 434 2HG2 VAL 56 2HG2 VAL 56 3.195 5.486 8.727 435 3HG2 VAL 56 3HG2 VAL 56 3.089 5.399 10.486 436 H MET 57 H MET 57 1.194 3.924 7.479 437 HA MET 57 HA MET 57 -0.768 2.474 8.803 438 1HB MET 57 2HB MET 57 -0.929 3.976 6.187 439 2HB MET 57 1HB MET 57 -2.333 3.361 7.049 440 1HG MET 57 2HG MET 57 -1.820 4.783 8.946 441 2HG MET 57 1HG MET 57 -0.363 5.361 8.137 442 1HE MET 57 1HE MET 57 -4.271 5.297 8.139 443 2HE MET 57 2HE MET 57 -3.912 4.650 6.538 444 3HE MET 57 3HE MET 57 -4.662 6.238 6.697 445 H ILE 58 H ILE 58 0.433 2.022 5.485 446 HA ILE 58 HA ILE 58 -1.279 -0.155 4.896 447 HB ILE 58 HB ILE 58 1.358 0.624 3.632 448 1HG1 ILE 58 2HG1 ILE 58 -0.334 1.223 1.726 449 2HG1 ILE 58 1HG1 ILE 58 -1.511 1.261 3.030 450 1HG2 ILE 58 1HG2 ILE 58 -0.672 -1.385 2.678 451 2HG2 ILE 58 2HG2 ILE 58 0.958 -1.731 3.256 452 3HG2 ILE 58 3HG2 ILE 58 0.727 -0.825 1.760 453 1HD1 ILE 58 1HD1 ILE 58 0.994 2.921 2.884 454 2HD1 ILE 58 2HD1 ILE 58 -0.234 2.995 4.150 455 3HD1 ILE 58 3HD1 ILE 58 -0.635 3.476 2.501 456 H ALA 59 H ALA 59 2.072 0.040 6.023 457 HA ALA 59 HA ALA 59 2.680 -2.679 5.993 458 1HB ALA 59 1HB ALA 59 4.343 -0.896 6.286 459 2HB ALA 59 2HB ALA 59 4.477 -2.138 7.531 460 3HB ALA 59 3HB ALA 59 3.719 -0.590 7.906 461 H GLU 60 H GLU 60 1.078 -0.731 8.457 462 HA GLU 60 HA GLU 60 1.063 -2.788 10.437 463 1HB GLU 60 2HB GLU 60 0.888 -0.241 10.771 464 2HB GLU 60 1HB GLU 60 -0.808 -0.428 10.344 465 1HG GLU 60 2HG GLU 60 -0.543 -0.396 12.739 466 2HG GLU 60 1HG GLU 60 -1.104 -1.981 12.207 467 H LEU 61 H LEU 61 -1.229 -1.608 8.031 468 HA LEU 61 HA LEU 61 -3.488 -3.077 8.804 469 1HB LEU 61 2HB LEU 61 -2.614 -1.543 6.500 470 2HB LEU 61 1HB LEU 61 -3.588 -2.921 6.030 471 HG LEU 61 HG LEU 61 -4.972 -0.940 6.279 472 1HD1 LEU 61 1HD1 LEU 61 -5.961 -3.101 6.836 473 2HD1 LEU 61 2HD1 LEU 61 -6.635 -1.813 7.836 474 3HD1 LEU 61 3HD1 LEU 61 -5.435 -2.915 8.511 475 1HD2 LEU 61 1HD2 LEU 61 -3.981 -0.894 9.127 476 2HD2 LEU 61 2HD2 LEU 61 -5.267 0.117 8.473 477 3HD2 LEU 61 3HD2 LEU 61 -3.618 0.293 7.872 478 H LEU 62 H LEU 62 -0.825 -3.876 6.661 479 HA LEU 62 HA LEU 62 -1.687 -6.195 5.465 480 1HB LEU 62 2HB LEU 62 1.089 -5.630 6.498 481 2HB LEU 62 1HB LEU 62 0.678 -6.825 5.284 482 HG LEU 62 HG LEU 62 0.273 -3.855 4.959 483 1HD1 LEU 62 1HD1 LEU 62 2.434 -5.643 3.860 484 2HD1 LEU 62 2HD1 LEU 62 2.640 -4.418 5.112 485 3HD1 LEU 62 3HD1 LEU 62 2.199 -3.937 3.473 486 1HD2 LEU 62 1HD2 LEU 62 -1.267 -5.219 3.641 487 2HD2 LEU 62 2HD2 LEU 62 0.095 -6.120 2.976 488 3HD2 LEU 62 3HD2 LEU 62 -0.091 -4.404 2.611 489 H ARG 63 H ARG 63 -0.729 -5.775 8.786 490 HA ARG 63 HA ARG 63 0.090 -8.426 9.290 491 1HB ARG 63 2HB ARG 63 -0.703 -6.138 11.051 492 2HB ARG 63 1HB ARG 63 -0.393 -7.728 11.734 493 1HG ARG 63 2HG ARG 63 1.856 -7.704 10.785 494 2HG ARG 63 1HG ARG 63 1.547 -6.107 10.102 495 1HD ARG 63 2HD ARG 63 1.425 -5.106 12.228 496 2HD ARG 63 1HD ARG 63 1.279 -6.664 13.040 497 HE ARG 63 HE ARG 63 3.679 -6.957 12.023 498 1HH1 ARG 63 1HH1 ARG 63 2.313 -4.024 13.370 499 2HH1 ARG 63 2HH1 ARG 63 3.824 -3.487 14.051 500 1HH2 ARG 63 1HH2 ARG 63 5.681 -6.230 12.892 501 2HH2 ARG 63 2HH2 ARG 63 5.731 -4.727 13.773 502 H GLU 64 H GLU 64 -3.117 -6.930 9.403 503 HA GLU 64 HA GLU 64 -4.105 -9.472 10.470 504 1HB GLU 64 2HB GLU 64 -5.739 -8.334 11.699 505 2HB GLU 64 1HB GLU 64 -4.243 -7.480 11.990 506 1HG GLU 64 2HG GLU 64 -4.966 -5.599 10.961 507 2HG GLU 64 1HG GLU 64 -5.939 -6.484 9.785 508 H PHE 65 H PHE 65 -4.097 -7.770 7.636 509 HA PHE 65 HA PHE 65 -6.808 -7.547 6.953 510 1HB PHE 65 2HB PHE 65 -4.465 -6.910 5.670 511 2HB PHE 65 1HB PHE 65 -5.050 -8.257 4.705 512 HD1 PHE 65 1HD PHE 65 -7.274 -8.109 3.603 513 HD2 PHE 65 2HD PHE 65 -5.513 -4.797 5.611 514 HE1 PHE 65 1HE PHE 65 -8.827 -6.587 2.452 515 HE2 PHE 65 2HE PHE 65 -7.067 -3.268 4.466 516 HZ PHE 65 HZ PHE 65 -8.730 -4.165 2.883 517 HA PRO 66 HA PRO 66 -7.443 -11.977 6.719 518 1HB PRO 66 2HB PRO 66 -10.034 -11.973 7.345 519 2HB PRO 66 1HB PRO 66 -8.807 -11.570 8.551 520 1HG PRO 66 2HG PRO 66 -10.650 -9.776 7.054 521 2HG PRO 66 1HG PRO 66 -10.046 -9.637 8.712 522 1HD PRO 66 2HD PRO 66 -9.049 -8.289 6.448 523 2HD PRO 66 1HD PRO 66 -8.275 -8.395 8.040 524 H GLN 67 H GLN 67 -8.529 -9.596 4.620 525 HA GLN 67 HA GLN 67 -10.362 -11.298 3.151 526 1HB GLN 67 2HB GLN 67 -9.528 -8.421 2.831 527 2HB GLN 67 1HB GLN 67 -10.535 -9.242 1.648 528 1HG GLN 67 2HG GLN 67 -11.200 -8.869 4.560 529 2HG GLN 67 1HG GLN 67 -11.854 -7.925 3.222 530 1HE2 GLN 67 1HE2 GLN 67 -13.341 -8.863 1.833 531 2HE2 GLN 67 2HE2 GLN 67 -14.178 -10.322 2.225 532 H PHE 68 H PHE 68 -7.103 -9.985 2.794 533 HA PHE 68 HA PHE 68 -6.836 -11.581 0.346 534 1HB PHE 68 2HB PHE 68 -5.764 -8.767 0.570 535 2HB PHE 68 1HB PHE 68 -5.739 -9.810 -0.846 536 HD1 PHE 68 1HD PHE 68 -7.551 -7.353 1.008 537 HD2 PHE 68 2HD PHE 68 -7.929 -10.391 -1.949 538 HE1 PHE 68 1HE PHE 68 -9.680 -6.359 0.256 539 HE2 PHE 68 2HE PHE 68 -10.054 -9.409 -2.700 540 HZ PHE 68 HZ PHE 68 -10.933 -7.389 -1.598 541 H ASP 69 H ASP 69 -5.009 -12.728 0.264 542 HA ASP 69 HA ASP 69 -2.716 -11.858 1.884 543 1HB ASP 69 2HB ASP 69 -3.268 -14.209 2.211 544 2HB ASP 69 1HB ASP 69 -3.247 -14.490 0.474 545 H TRP 70 H TRP 70 -2.427 -10.077 0.473 546 HA TRP 70 HA TRP 70 -1.740 -10.706 -2.299 547 1HB TRP 70 2HB TRP 70 -1.976 -8.184 -2.600 548 2HB TRP 70 1HB TRP 70 -3.444 -9.089 -2.273 549 HD1 TRP 70 HD TRP 70 -1.309 -8.346 0.769 550 HE1 TRP 70 1HE TRP 70 -2.468 -6.535 2.188 551 HE3 TRP 70 3HE TRP 70 -4.933 -6.925 -2.541 552 HZ2 TRP 70 2HZ TRP 70 -4.628 -4.737 1.930 553 HZ3 TRP 70 3HZ TRP 70 -6.502 -5.145 -1.881 554 HH2 TRP 70 HH TRP 70 -6.350 -4.074 0.309 555 H GLN 71 H GLN 71 -0.050 -9.392 -3.322 556 HA GLN 71 HA GLN 71 2.294 -9.259 -1.600 557 1HB GLN 71 2HB GLN 71 1.935 -9.129 -4.593 558 2HB GLN 71 1HB GLN 71 3.473 -8.791 -3.818 559 1HG GLN 71 2HG GLN 71 3.548 -11.032 -4.559 560 2HG GLN 71 1HG GLN 71 3.368 -11.080 -2.808 561 1HE2 GLN 71 1HE2 GLN 71 1.821 -11.641 -5.865 562 2HE2 GLN 71 2HE2 GLN 71 0.496 -12.570 -5.261 563 H VAL 72 H VAL 72 3.331 -7.394 -1.080 564 HA VAL 72 HA VAL 72 1.802 -4.955 -1.514 565 HB VAL 72 HB VAL 72 4.283 -5.252 0.169 566 1HG1 VAL 72 1HG1 VAL 72 3.577 -2.969 -0.287 567 2HG1 VAL 72 2HG1 VAL 72 3.308 -3.367 1.411 568 3HG1 VAL 72 3HG1 VAL 72 1.950 -3.341 0.286 569 1HG2 VAL 72 1HG2 VAL 72 2.694 -6.972 0.854 570 2HG2 VAL 72 2HG2 VAL 72 1.430 -5.751 1.011 571 3HG2 VAL 72 3HG2 VAL 72 2.832 -5.711 2.078 572 H ALA 73 H ALA 73 2.417 -3.371 -2.862 573 HA ALA 73 HA ALA 73 5.169 -3.439 -3.899 574 1HB ALA 73 1HB ALA 73 2.675 -2.787 -5.462 575 2HB ALA 73 2HB ALA 73 3.601 -4.283 -5.579 576 3HB ALA 73 3HB ALA 73 4.326 -2.754 -6.079 577 H VAL 74 H VAL 74 6.187 -1.501 -4.106 578 HA VAL 74 HA VAL 74 4.685 0.958 -3.710 579 HB VAL 74 HB VAL 74 5.278 0.409 -1.428 580 1HG1 VAL 74 1HG1 VAL 74 7.624 0.102 -0.740 581 2HG1 VAL 74 2HG1 VAL 74 8.116 0.151 -2.433 582 3HG1 VAL 74 3HG1 VAL 74 7.088 -1.158 -1.851 583 1HG2 VAL 74 1HG2 VAL 74 7.141 2.529 -2.507 584 2HG2 VAL 74 2HG2 VAL 74 6.643 2.348 -0.824 585 3HG2 VAL 74 3HG2 VAL 74 5.452 2.762 -2.057 586 H ALA 75 H ALA 75 5.548 2.657 -4.779 587 HA ALA 75 HA ALA 75 8.068 2.179 -6.221 588 1HB ALA 75 1HB ALA 75 6.103 2.536 -7.660 589 2HB ALA 75 2HB ALA 75 7.310 3.806 -7.859 590 3HB ALA 75 3HB ALA 75 5.854 4.111 -6.908 591 H ASP 76 H ASP 76 9.512 4.027 -6.458 592 HA ASP 76 HA ASP 76 10.054 5.088 -3.901 593 1HB ASP 76 2HB ASP 76 11.999 6.146 -4.925 594 2HB ASP 76 1HB ASP 76 11.834 4.493 -5.494 595 H LEU 77 H LEU 77 9.618 6.980 -6.880 596 HA LEU 77 HA LEU 77 7.842 8.871 -5.627 597 1HB LEU 77 2HB LEU 77 10.702 9.627 -6.240 598 2HB LEU 77 1HB LEU 77 9.420 10.814 -6.149 599 HG LEU 77 HG LEU 77 10.187 9.006 -3.858 600 1HD1 LEU 77 1HD1 LEU 77 10.983 11.867 -4.390 601 2HD1 LEU 77 2HD1 LEU 77 12.053 10.467 -4.451 602 3HD1 LEU 77 3HD1 LEU 77 11.323 10.952 -2.921 603 1HD2 LEU 77 1HD2 LEU 77 7.898 9.862 -3.770 604 2HD2 LEU 77 2HD2 LEU 77 8.499 11.506 -3.993 605 3HD2 LEU 77 3HD2 LEU 77 8.902 10.612 -2.527 606 H GLU 78 H GLU 78 10.256 8.563 -8.186 607 HA GLU 78 HA GLU 78 8.768 10.063 -10.090 608 1HB GLU 78 2HB GLU 78 11.277 9.769 -9.999 609 2HB GLU 78 1HB GLU 78 11.027 8.149 -10.624 610 1HG GLU 78 2HG GLU 78 10.137 8.989 -12.668 611 2HG GLU 78 1HG GLU 78 10.109 10.636 -12.036 612 H GLN 79 H GLN 79 9.297 6.613 -9.510 613 HA GLN 79 HA GLN 79 7.866 5.734 -11.790 614 1HB GLN 79 2HB GLN 79 8.555 4.341 -9.203 615 2HB GLN 79 1HB GLN 79 7.748 3.540 -10.547 616 1HG GLN 79 2HG GLN 79 10.457 4.850 -10.654 617 2HG GLN 79 1HG GLN 79 10.146 3.115 -10.552 618 1HE2 GLN 79 1HE2 GLN 79 11.493 4.779 -12.612 619 2HE2 GLN 79 2HE2 GLN 79 10.680 4.424 -14.097 620 H SER 80 H SER 80 6.927 6.467 -8.477 621 HA SER 80 HA SER 80 4.296 5.568 -8.507 622 1HB SER 80 2HB SER 80 5.151 8.157 -7.220 623 2HB SER 80 1HB SER 80 3.965 6.982 -6.648 624 HG SER 80 HG SER 80 5.924 5.516 -6.625 625 H GLU 81 H GLU 81 5.658 8.669 -9.542 626 HA GLU 81 HA GLU 81 3.282 9.989 -10.183 627 1HB GLU 81 2HB GLU 81 5.638 10.925 -9.992 628 2HB GLU 81 1HB GLU 81 5.925 10.303 -11.609 629 1HG GLU 81 2HG GLU 81 5.417 12.571 -11.870 630 2HG GLU 81 1HG GLU 81 3.964 11.700 -12.357 631 H ALA 82 H ALA 82 5.390 7.915 -12.113 632 HA ALA 82 HA ALA 82 3.978 8.276 -14.556 633 1HB ALA 82 1HB ALA 82 5.399 6.518 -15.420 634 2HB ALA 82 2HB ALA 82 5.904 6.090 -13.787 635 3HB ALA 82 3HB ALA 82 6.351 7.655 -14.468 636 H ILE 83 H ILE 83 3.875 5.795 -12.019 637 HA ILE 83 HA ILE 83 2.276 3.942 -13.403 638 HB ILE 83 HB ILE 83 2.535 4.439 -10.434 639 1HG1 ILE 83 2HG1 ILE 83 3.691 2.277 -12.212 640 2HG1 ILE 83 1HG1 ILE 83 4.577 3.677 -11.615 641 1HG2 ILE 83 1HG2 ILE 83 1.506 2.228 -10.121 642 2HG2 ILE 83 2HG2 ILE 83 1.169 2.152 -11.851 643 3HG2 ILE 83 3HG2 ILE 83 0.393 3.382 -10.854 644 1HD1 ILE 83 1HD1 ILE 83 4.284 2.903 -9.330 645 2HD1 ILE 83 2HD1 ILE 83 5.071 1.672 -10.319 646 3HD1 ILE 83 3HD1 ILE 83 3.363 1.517 -9.909 647 H GLY 84 H GLY 84 1.347 6.587 -11.195 648 1HA GLY 84 2HA GLY 84 -1.443 6.085 -11.361 649 2HA GLY 84 1HA GLY 84 -0.698 7.592 -10.840 650 H ASP 85 H ASP 85 0.776 7.885 -13.332 651 HA ASP 85 HA ASP 85 -1.112 9.453 -14.764 652 1HB ASP 85 2HB ASP 85 1.338 9.922 -14.587 653 2HB ASP 85 1HB ASP 85 1.647 8.531 -15.608 654 H ARG 86 H ARG 86 0.258 6.297 -15.171 655 HA ARG 86 HA ARG 86 -0.318 5.526 -17.708 656 1HB ARG 86 2HB ARG 86 0.695 4.039 -16.109 657 2HB ARG 86 1HB ARG 86 -0.767 3.997 -15.149 658 1HG ARG 86 2HG ARG 86 -0.524 1.938 -16.360 659 2HG ARG 86 1HG ARG 86 -1.917 2.825 -16.972 660 1HD ARG 86 2HD ARG 86 0.641 3.321 -18.347 661 2HD ARG 86 1HD ARG 86 -0.036 1.705 -18.539 662 HE ARG 86 HE ARG 86 -1.850 3.928 -19.026 663 1HH1 ARG 86 1HH1 ARG 86 0.341 1.557 -20.377 664 2HH1 ARG 86 2HH1 ARG 86 -0.343 1.640 -21.976 665 1HH2 ARG 86 1HH2 ARG 86 -2.775 4.042 -21.119 666 2HH2 ARG 86 2HH2 ARG 86 -2.117 3.060 -22.399 667 H PHE 87 H PHE 87 -2.646 5.630 -15.036 668 HA PHE 87 HA PHE 87 -4.803 5.199 -16.980 669 1HB PHE 87 2HB PHE 87 -5.791 5.384 -14.289 670 2HB PHE 87 1HB PHE 87 -5.851 4.022 -15.397 671 HD1 PHE 87 1HD PHE 87 -4.092 5.552 -12.604 672 HD2 PHE 87 2HD PHE 87 -4.196 2.244 -15.274 673 HE1 PHE 87 1HE PHE 87 -2.557 4.325 -11.133 674 HE2 PHE 87 2HE PHE 87 -2.648 1.006 -13.804 675 HZ PHE 87 HZ PHE 87 -1.831 2.052 -11.731 676 H ASN 88 H ASN 88 -4.509 7.138 -14.007 677 HA ASN 88 HA ASN 88 -4.935 9.659 -14.911 678 1HB ASN 88 2HB ASN 88 -7.056 8.452 -15.882 679 2HB ASN 88 1HB ASN 88 -7.663 8.593 -14.238 680 1HD2 ASN 88 1HD2 ASN 88 -8.696 9.791 -16.646 681 2HD2 ASN 88 2HD2 ASN 88 -8.647 11.509 -16.411 682 H VAL 89 H VAL 89 -3.958 7.988 -12.663 683 HA VAL 89 HA VAL 89 -5.417 9.242 -10.430 684 HB VAL 89 HB VAL 89 -3.837 6.675 -10.194 685 1HG1 VAL 89 1HG1 VAL 89 -4.273 7.905 -8.122 686 2HG1 VAL 89 2HG1 VAL 89 -5.130 6.367 -8.154 687 3HG1 VAL 89 3HG1 VAL 89 -6.003 7.867 -8.462 688 1HG2 VAL 89 1HG2 VAL 89 -5.613 6.283 -11.819 689 2HG2 VAL 89 2HG2 VAL 89 -6.802 6.941 -10.695 690 3HG2 VAL 89 3HG2 VAL 89 -5.955 5.444 -10.305 691 H ARG 90 H ARG 90 -3.203 10.200 -12.073 692 HA ARG 90 HA ARG 90 -0.834 10.137 -10.452 693 1HB ARG 90 2HB ARG 90 -0.732 10.424 -12.898 694 2HB ARG 90 1HB ARG 90 -1.621 11.932 -12.763 695 1HG ARG 90 2HG ARG 90 0.239 12.901 -11.493 696 2HG ARG 90 1HG ARG 90 1.132 11.388 -11.672 697 1HD ARG 90 2HD ARG 90 1.074 11.626 -14.095 698 2HD ARG 90 1HD ARG 90 0.150 13.118 -13.934 699 HE ARG 90 HE ARG 90 2.323 13.732 -12.539 700 1HH1 ARG 90 1HH1 ARG 90 1.983 12.146 -15.635 701 2HH1 ARG 90 2HH1 ARG 90 3.498 12.746 -16.256 702 1HH2 ARG 90 1HH2 ARG 90 4.310 14.548 -13.360 703 2HH2 ARG 90 2HH2 ARG 90 4.828 14.099 -14.958 704 H ARG 91 H ARG 91 -1.890 10.766 -8.446 705 HA ARG 91 HA ARG 91 -2.028 13.650 -8.155 706 1HB ARG 91 2HB ARG 91 -4.348 12.670 -8.753 707 2HB ARG 91 1HB ARG 91 -4.327 12.014 -7.119 708 1HG ARG 91 2HG ARG 91 -5.510 14.095 -7.107 709 2HG ARG 91 1HG ARG 91 -3.971 14.310 -6.262 710 1HD ARG 91 2HD ARG 91 -3.048 15.095 -8.501 711 2HD ARG 91 1HD ARG 91 -4.728 15.207 -9.025 712 HE ARG 91 HE ARG 91 -4.365 16.572 -6.573 713 1HH1 ARG 91 1HH1 ARG 91 -3.833 16.840 -10.022 714 2HH1 ARG 91 2HH1 ARG 91 -3.675 18.575 -9.987 715 1HH2 ARG 91 1HH2 ARG 91 -4.164 18.851 -6.527 716 2HH2 ARG 91 2HH2 ARG 91 -3.852 19.713 -8.005 717 H PHE 92 H PHE 92 -0.042 13.003 -6.995 718 HA PHE 92 HA PHE 92 1.050 13.012 -5.006 719 1HB PHE 92 2HB PHE 92 -1.769 13.245 -3.955 720 2HB PHE 92 1HB PHE 92 -0.361 13.258 -2.897 721 HD1 PHE 92 1HD PHE 92 -2.212 15.093 -5.473 722 HD2 PHE 92 2HD PHE 92 1.124 15.142 -2.832 723 HE1 PHE 92 1HE PHE 92 -1.956 17.511 -5.846 724 HE2 PHE 92 2HE PHE 92 1.392 17.558 -3.205 725 HZ PHE 92 HZ PHE 92 -0.151 18.747 -4.712 726 HA PRO 93 HA PRO 93 1.520 8.908 -3.397 727 1HB PRO 93 2HB PRO 93 1.201 9.888 -0.609 728 2HB PRO 93 1HB PRO 93 2.525 8.974 -1.336 729 1HG PRO 93 2HG PRO 93 2.828 11.552 -0.806 730 2HG PRO 93 1HG PRO 93 3.469 10.864 -2.312 731 1HD PRO 93 2HD PRO 93 0.981 12.477 -1.875 732 2HD PRO 93 1HD PRO 93 2.174 12.576 -3.188 733 H ALA 94 H ALA 94 0.173 7.269 -3.276 734 HA ALA 94 HA ALA 94 -2.074 7.180 -1.499 735 1HB ALA 94 1HB ALA 94 -3.049 8.465 -3.341 736 2HB ALA 94 2HB ALA 94 -3.774 6.860 -3.233 737 3HB ALA 94 3HB ALA 94 -2.574 7.205 -4.479 738 H THR 95 H THR 95 -3.410 5.024 -2.314 739 HA THR 95 HA THR 95 -1.391 3.024 -3.081 740 HB THR 95 HB THR 95 -3.465 2.604 -0.916 741 HG1 THR 95 1HG THR 95 -1.086 3.848 -0.799 742 1HG2 THR 95 1HG2 THR 95 -2.812 0.558 -2.091 743 2HG2 THR 95 2HG2 THR 95 -2.187 0.564 -0.440 744 3HG2 THR 95 3HG2 THR 95 -1.113 0.922 -1.794 745 H LEU 96 H LEU 96 -2.044 1.894 -4.802 746 HA LEU 96 HA LEU 96 -4.847 2.060 -5.598 747 1HB LEU 96 2HB LEU 96 -2.457 0.998 -7.104 748 2HB LEU 96 1HB LEU 96 -4.055 1.272 -7.763 749 HG LEU 96 HG LEU 96 -2.270 3.454 -6.689 750 1HD1 LEU 96 1HD1 LEU 96 -1.895 4.047 -9.020 751 2HD1 LEU 96 2HD1 LEU 96 -2.840 2.651 -9.537 752 3HD1 LEU 96 3HD1 LEU 96 -1.313 2.417 -8.686 753 1HD2 LEU 96 1HD2 LEU 96 -4.834 3.558 -8.276 754 2HD2 LEU 96 2HD2 LEU 96 -3.861 4.946 -7.785 755 3HD2 LEU 96 3HD2 LEU 96 -4.663 3.955 -6.566 756 H VAL 97 H VAL 97 -6.182 0.323 -5.759 757 HA VAL 97 HA VAL 97 -5.190 -2.139 -4.489 758 HB VAL 97 HB VAL 97 -8.047 -1.215 -4.850 759 1HG1 VAL 97 1HG1 VAL 97 -7.844 -3.635 -4.691 760 2HG1 VAL 97 2HG1 VAL 97 -8.593 -2.973 -3.239 761 3HG1 VAL 97 3HG1 VAL 97 -6.902 -3.474 -3.208 762 1HG2 VAL 97 1HG2 VAL 97 -6.279 -1.110 -2.405 763 2HG2 VAL 97 2HG2 VAL 97 -7.992 -0.690 -2.453 764 3HG2 VAL 97 3HG2 VAL 97 -6.821 0.271 -3.357 765 H PHE 98 H PHE 98 -4.758 -3.782 -5.789 766 HA PHE 98 HA PHE 98 -6.356 -4.114 -8.251 767 1HB PHE 98 2HB PHE 98 -3.484 -4.958 -7.758 768 2HB PHE 98 1HB PHE 98 -4.391 -5.229 -9.239 769 HD1 PHE 98 1HD PHE 98 -2.889 -2.636 -7.090 770 HD2 PHE 98 2HD PHE 98 -4.548 -3.557 -10.894 771 HE1 PHE 98 1HE PHE 98 -2.094 -0.476 -7.952 772 HE2 PHE 98 2HE PHE 98 -3.751 -1.398 -11.765 773 HZ PHE 98 HZ PHE 98 -2.531 0.153 -10.292 774 H THR 99 H THR 99 -7.720 -5.776 -8.024 775 HA THR 99 HA THR 99 -6.666 -8.242 -6.817 776 HB THR 99 HB THR 99 -8.834 -8.780 -5.863 777 HG1 THR 99 1HG THR 99 -10.504 -7.860 -6.741 778 1HG2 THR 99 1HG2 THR 99 -9.006 -7.054 -4.120 779 2HG2 THR 99 2HG2 THR 99 -7.988 -5.989 -5.088 780 3HG2 THR 99 3HG2 THR 99 -7.326 -7.490 -4.441 781 H ASP 100 H ASP 100 -7.442 -10.165 -7.772 782 HA ASP 100 HA ASP 100 -8.199 -11.521 -9.449 783 1HB ASP 100 2HB ASP 100 -9.913 -9.134 -10.164 784 2HB ASP 100 1HB ASP 100 -10.030 -10.703 -10.938 785 H GLY 101 H GLY 101 -6.076 -9.303 -9.781 786 1HA GLY 101 2HA GLY 101 -4.588 -8.719 -11.451 787 2HA GLY 101 1HA GLY 101 -5.504 -9.728 -12.564 788 H LYS 102 H LYS 102 -7.417 -7.510 -10.857 789 HA LYS 102 HA LYS 102 -7.443 -5.674 -13.170 790 1HB LYS 102 2HB LYS 102 -9.806 -6.582 -11.506 791 2HB LYS 102 1HB LYS 102 -9.867 -5.501 -12.892 792 1HG LYS 102 2HG LYS 102 -9.370 -7.221 -14.399 793 2HG LYS 102 1HG LYS 102 -8.801 -8.296 -13.121 794 1HD LYS 102 2HD LYS 102 -11.124 -8.382 -12.241 795 2HD LYS 102 1HD LYS 102 -11.647 -7.421 -13.628 796 1HE LYS 102 2HE LYS 102 -10.953 -9.143 -15.153 797 2HE LYS 102 1HE LYS 102 -10.223 -10.070 -13.845 798 1HZ LYS 102 1HZ LYS 102 -12.412 -10.402 -12.895 799 2HZ LYS 102 2HZ LYS 102 -12.363 -10.971 -14.490 800 3HZ LYS 102 3HZ LYS 102 -13.123 -9.494 -14.142 801 H LEU 103 H LEU 103 -7.704 -3.485 -12.744 802 HA LEU 103 HA LEU 103 -7.028 -2.618 -10.081 803 1HB LEU 103 2HB LEU 103 -6.059 -1.460 -11.965 804 2HB LEU 103 1HB LEU 103 -7.646 -1.096 -12.613 805 HG LEU 103 HG LEU 103 -8.087 0.396 -10.712 806 1HD1 LEU 103 1HD1 LEU 103 -5.260 -0.224 -9.878 807 2HD1 LEU 103 2HD1 LEU 103 -6.723 -0.716 -9.024 808 3HD1 LEU 103 3HD1 LEU 103 -6.311 0.994 -9.158 809 1HD2 LEU 103 1HD2 LEU 103 -6.530 2.167 -11.322 810 2HD2 LEU 103 2HD2 LEU 103 -7.090 1.301 -12.752 811 3HD2 LEU 103 3HD2 LEU 103 -5.479 0.986 -12.104 812 H ARG 104 H ARG 104 -8.404 -2.177 -8.520 813 HA ARG 104 HA ARG 104 -11.249 -1.988 -9.143 814 1HB ARG 104 2HB ARG 104 -9.819 -2.184 -6.487 815 2HB ARG 104 1HB ARG 104 -11.564 -2.201 -6.704 816 1HG ARG 104 2HG ARG 104 -9.623 -4.251 -7.745 817 2HG ARG 104 1HG ARG 104 -10.716 -4.439 -6.371 818 1HD ARG 104 2HD ARG 104 -12.633 -4.155 -7.857 819 2HD ARG 104 1HD ARG 104 -11.544 -3.959 -9.231 820 HE ARG 104 HE ARG 104 -10.890 -6.376 -8.053 821 1HH1 ARG 104 1HH1 ARG 104 -13.691 -4.930 -9.590 822 2HH1 ARG 104 2HH1 ARG 104 -14.317 -6.443 -10.167 823 1HH2 ARG 104 1HH2 ARG 104 -11.716 -8.379 -8.799 824 2HH2 ARG 104 2HH2 ARG 104 -13.204 -8.399 -9.711 825 H GLY 105 H GLY 105 -8.680 -0.149 -7.589 826 1HA GLY 105 2HA GLY 105 -9.416 2.364 -8.289 827 2HA GLY 105 1HA GLY 105 -10.417 2.031 -6.881 828 H ALA 106 H ALA 106 -9.400 3.559 -5.576 829 HA ALA 106 HA ALA 106 -6.647 2.866 -4.797 830 1HB ALA 106 1HB ALA 106 -6.642 4.938 -6.098 831 2HB ALA 106 2HB ALA 106 -6.187 5.232 -4.421 832 3HB ALA 106 3HB ALA 106 -7.808 5.646 -4.979 833 H LEU 107 H LEU 107 -6.100 3.272 -2.604 834 HA LEU 107 HA LEU 107 -8.369 2.966 -0.808 835 1HB LEU 107 2HB LEU 107 -6.019 1.737 -0.795 836 2HB LEU 107 1HB LEU 107 -5.525 3.152 0.110 837 HG LEU 107 HG LEU 107 -6.099 1.260 1.566 838 1HD1 LEU 107 1HD1 LEU 107 -6.372 3.529 2.416 839 2HD1 LEU 107 2HD1 LEU 107 -7.585 2.443 3.093 840 3HD1 LEU 107 3HD1 LEU 107 -8.026 3.565 1.806 841 1HD2 LEU 107 1HD2 LEU 107 -8.417 0.522 1.777 842 2HD2 LEU 107 2HD2 LEU 107 -7.789 0.211 0.159 843 3HD2 LEU 107 3HD2 LEU 107 -8.876 1.572 0.437 844 H SER 108 H SER 108 -9.334 4.972 -0.747 845 HA SER 108 HA SER 108 -7.770 7.102 0.507 846 1HB SER 108 2HB SER 108 -9.511 7.514 -1.935 847 2HB SER 108 1HB SER 108 -8.624 8.767 -1.065 848 HG SER 108 HG SER 108 -6.849 6.953 -1.621 849 H GLY 109 H GLY 109 -8.848 6.938 2.419 850 1HA GLY 109 2HA GLY 109 -11.750 7.443 2.363 851 2HA GLY 109 1HA GLY 109 -10.871 6.762 3.727 852 H ILE 110 H ILE 110 -12.639 9.072 3.705 853 HA ILE 110 HA ILE 110 -10.790 11.320 4.053 854 HB ILE 110 HB ILE 110 -12.794 12.726 4.264 855 1HG1 ILE 110 2HG1 ILE 110 -14.335 10.172 3.733 856 2HG1 ILE 110 1HG1 ILE 110 -14.295 11.038 5.268 857 1HG2 ILE 110 1HG2 ILE 110 -12.802 10.932 1.841 858 2HG2 ILE 110 2HG2 ILE 110 -11.812 12.373 2.072 859 3HG2 ILE 110 3HG2 ILE 110 -13.566 12.519 1.944 860 1HD1 ILE 110 1HD1 ILE 110 -15.413 12.068 2.666 861 2HD1 ILE 110 2HD1 ILE 110 -15.361 12.957 4.188 862 3HD1 ILE 110 3HD1 ILE 110 -16.337 11.496 4.056 863 H HIS 111 H HIS 111 -12.295 8.907 5.785 864 HA HIS 111 HA HIS 111 -11.689 10.295 8.315 865 1HB HIS 111 2HB HIS 111 -14.173 9.829 7.819 866 2HB HIS 111 1HB HIS 111 -13.776 8.130 8.029 867 HD1 HIS 111 1HD HIS 111 -13.484 11.367 10.014 868 HD2 HIS 111 2HD HIS 111 -14.080 7.290 10.581 869 HE1 HIS 111 1HE HIS 111 -13.930 11.080 12.473 870 HE2 HIS 111 2HE HIS 111 -14.549 8.651 12.732 871 HA PRO 112 HA PRO 112 -8.346 7.497 8.740 872 1HB PRO 112 2HB PRO 112 -9.372 7.279 11.542 873 2HB PRO 112 1HB PRO 112 -7.717 7.520 10.966 874 1HG PRO 112 2HG PRO 112 -9.150 9.570 11.884 875 2HG PRO 112 1HG PRO 112 -8.063 9.761 10.497 876 1HD PRO 112 2HD PRO 112 -11.024 9.679 10.581 877 2HD PRO 112 1HD PRO 112 -9.948 10.467 9.411 878 H TRP 113 H TRP 113 -11.213 6.378 10.578 879 HA TRP 113 HA TRP 113 -11.016 3.834 9.159 880 1HB TRP 113 2HB TRP 113 -10.004 3.990 11.688 881 2HB TRP 113 1HB TRP 113 -11.673 3.550 12.028 882 HD1 TRP 113 HD TRP 113 -12.540 1.196 10.824 883 HE1 TRP 113 1HE TRP 113 -11.218 -0.955 10.334 884 HE3 TRP 113 3HE TRP 113 -7.796 3.069 11.148 885 HZ2 TRP 113 2HZ TRP 113 -8.526 -1.754 10.119 886 HZ3 TRP 113 3HZ TRP 113 -5.900 1.543 10.798 887 HH2 TRP 113 HH TRP 113 -6.259 -0.822 10.295 888 H ALA 114 H ALA 114 -13.043 2.524 10.587 889 HA ALA 114 HA ALA 114 -15.284 2.260 10.716 890 1HB ALA 114 1HB ALA 114 -15.460 5.270 10.654 891 2HB ALA 114 2HB ALA 114 -15.286 4.284 12.104 892 3HB ALA 114 3HB ALA 114 -16.745 4.154 11.125 893 H GLU 115 H GLU 115 -14.919 5.101 8.577 894 HA GLU 115 HA GLU 115 -16.898 4.195 6.768 895 1HB GLU 115 2HB GLU 115 -16.085 6.027 5.310 896 2HB GLU 115 1HB GLU 115 -16.408 6.551 6.957 897 1HG GLU 115 2HG GLU 115 -14.389 7.441 6.988 898 2HG GLU 115 1HG GLU 115 -13.727 5.809 6.948 899 H LEU 116 H LEU 116 -13.527 3.557 7.074 900 HA LEU 116 HA LEU 116 -12.723 2.750 4.588 901 1HB LEU 116 2HB LEU 116 -11.960 2.253 7.312 902 2HB LEU 116 1HB LEU 116 -11.810 0.776 6.381 903 HG LEU 116 HG LEU 116 -10.556 3.392 5.574 904 1HD1 LEU 116 1HD1 LEU 116 -9.319 1.047 7.012 905 2HD1 LEU 116 2HD1 LEU 116 -9.627 2.641 7.702 906 3HD1 LEU 116 3HD1 LEU 116 -8.454 2.456 6.399 907 1HD2 LEU 116 1HD2 LEU 116 -10.936 1.816 3.742 908 2HD2 LEU 116 2HD2 LEU 116 -10.105 0.550 4.649 909 3HD2 LEU 116 3HD2 LEU 116 -9.216 1.970 4.097 910 H LEU 117 H LEU 117 -14.903 1.084 6.782 911 HA LEU 117 HA LEU 117 -14.910 -1.388 5.362 912 1HB LEU 117 2HB LEU 117 -16.980 -0.224 7.230 913 2HB LEU 117 1HB LEU 117 -16.917 -1.894 6.696 914 HG LEU 117 HG LEU 117 -14.827 -0.520 8.392 915 1HD1 LEU 117 1HD1 LEU 117 -16.896 -2.591 9.113 916 2HD1 LEU 117 2HD1 LEU 117 -16.905 -0.898 9.607 917 3HD1 LEU 117 3HD1 LEU 117 -15.632 -1.977 10.179 918 1HD2 LEU 117 1HD2 LEU 117 -13.855 -2.742 8.632 919 2HD2 LEU 117 2HD2 LEU 117 -13.874 -2.242 6.940 920 3HD2 LEU 117 3HD2 LEU 117 -15.066 -3.402 7.530 921 H THR 118 H THR 118 -16.968 1.484 5.349 922 HA THR 118 HA THR 118 -18.882 0.485 3.520 923 HB THR 118 HB THR 118 -18.183 3.385 4.026 924 HG1 THR 118 1HG THR 118 -20.308 2.476 5.442 925 1HG2 THR 118 1HG2 THR 118 -20.780 2.065 3.205 926 2HG2 THR 118 2HG2 THR 118 -19.713 2.981 2.141 927 3HG2 THR 118 3HG2 THR 118 -20.529 3.790 3.476 928 H LEU 119 H LEU 119 -15.993 2.529 3.130 929 HA LEU 119 HA LEU 119 -16.161 2.874 0.349 930 1HB LEU 119 2HB LEU 119 -13.949 2.941 2.359 931 2HB LEU 119 1HB LEU 119 -13.555 3.003 0.654 932 HG LEU 119 HG LEU 119 -13.678 5.210 1.811 933 1HD1 LEU 119 1HD1 LEU 119 -13.808 5.084 -0.588 934 2HD1 LEU 119 2HD1 LEU 119 -14.941 6.307 -0.011 935 3HD1 LEU 119 3HD1 LEU 119 -15.531 4.721 -0.508 936 1HD2 LEU 119 1HD2 LEU 119 -15.583 4.818 3.257 937 2HD2 LEU 119 2HD2 LEU 119 -16.632 4.636 1.850 938 3HD2 LEU 119 3HD2 LEU 119 -15.885 6.195 2.198 939 H MET 120 H MET 120 -14.441 0.461 2.286 940 HA MET 120 HA MET 120 -13.280 -1.039 0.273 941 1HB MET 120 2HB MET 120 -12.945 -1.318 2.744 942 2HB MET 120 1HB MET 120 -14.476 -2.176 2.802 943 1HG MET 120 2HG MET 120 -12.691 -3.766 2.762 944 2HG MET 120 1HG MET 120 -13.563 -3.844 1.233 945 1HE MET 120 1HE MET 120 -9.466 -1.779 1.736 946 2HE MET 120 2HE MET 120 -10.328 -2.580 3.051 947 3HE MET 120 3HE MET 120 -10.972 -1.095 2.349 948 H ARG 121 H ARG 121 -16.605 -1.128 1.437 949 HA ARG 121 HA ARG 121 -17.555 -3.425 0.260 950 1HB ARG 121 2HB ARG 121 -18.801 -0.742 0.734 951 2HB ARG 121 1HB ARG 121 -19.705 -2.076 0.077 952 1HG ARG 121 2HG ARG 121 -19.177 -3.387 2.109 953 2HG ARG 121 1HG ARG 121 -18.369 -1.960 2.766 954 1HD ARG 121 2HD ARG 121 -20.557 -0.734 2.399 955 2HD ARG 121 1HD ARG 121 -21.283 -2.311 2.102 956 HE ARG 121 HE ARG 121 -19.991 -1.554 4.656 957 1HH1 ARG 121 1HH1 ARG 121 -22.464 -3.269 2.854 958 2HH1 ARG 121 2HH1 ARG 121 -23.330 -3.761 4.281 959 1HH2 ARG 121 1HH2 ARG 121 -21.111 -2.233 6.522 960 2HH2 ARG 121 2HH2 ARG 121 -22.558 -3.178 6.359 961 H SER 122 H SER 122 -17.509 -0.163 -1.122 962 HA SER 122 HA SER 122 -18.426 -0.937 -3.680 963 1HB SER 122 2HB SER 122 -18.570 1.383 -2.835 964 2HB SER 122 1HB SER 122 -16.814 1.513 -2.919 965 HG SER 122 HG SER 122 -17.017 1.105 -5.205 966 H ILE 123 H ILE 123 -15.198 -0.654 -2.293 967 HA ILE 123 HA ILE 123 -13.771 -0.805 -4.734 968 HB ILE 123 HB ILE 123 -12.872 -1.547 -1.943 969 1HG1 ILE 123 2HG1 ILE 123 -12.472 0.998 -3.533 970 2HG1 ILE 123 1HG1 ILE 123 -13.612 0.805 -2.205 971 1HG2 ILE 123 1HG2 ILE 123 -11.238 -1.003 -4.419 972 2HG2 ILE 123 2HG2 ILE 123 -11.458 -2.574 -3.648 973 3HG2 ILE 123 3HG2 ILE 123 -10.596 -1.287 -2.801 974 1HD1 ILE 123 1HD1 ILE 123 -11.744 0.368 -0.686 975 2HD1 ILE 123 2HD1 ILE 123 -11.611 1.944 -1.466 976 3HD1 ILE 123 3HD1 ILE 123 -10.615 0.597 -2.021 977 H VAL 124 H VAL 124 -14.538 -3.278 -2.295 978 HA VAL 124 HA VAL 124 -14.275 -5.314 -4.384 979 HB VAL 124 HB VAL 124 -13.294 -6.865 -2.623 980 1HG1 VAL 124 1HG1 VAL 124 -11.010 -6.124 -3.031 981 2HG1 VAL 124 2HG1 VAL 124 -11.602 -4.539 -3.528 982 3HG1 VAL 124 3HG1 VAL 124 -11.990 -5.967 -4.490 983 1HG2 VAL 124 1HG2 VAL 124 -12.682 -4.245 -1.258 984 2HG2 VAL 124 2HG2 VAL 124 -12.027 -5.820 -0.806 985 3HG2 VAL 124 3HG2 VAL 124 -13.757 -5.505 -0.651 986 H ASP 125 H ASP 125 -16.579 -4.976 -4.353 987 HA ASP 125 HA ASP 125 -18.310 -5.323 -2.239 988 1HB ASP 125 2HB ASP 125 -19.063 -4.601 -4.447 989 2HB ASP 125 1HB ASP 125 -18.712 -6.195 -5.109 990 H THR 126 H THR 126 -17.139 -7.823 -4.459 991 HA THR 126 HA THR 126 -16.925 -10.070 -4.277 992 HB THR 126 HB THR 126 -16.846 -9.626 -1.289 993 HG1 THR 126 1HG THR 126 -15.296 -8.267 -1.998 994 1HG2 THR 126 1HG2 THR 126 -16.904 -11.969 -1.981 995 2HG2 THR 126 2HG2 THR 126 -15.314 -11.554 -1.339 996 3HG2 THR 126 3HG2 THR 126 -15.553 -11.690 -3.082 997 HA PRO 127 HA PRO 127 -21.376 -10.746 -3.328 998 1HB PRO 127 2HB PRO 127 -21.995 -11.950 -5.653 999 2HB PRO 127 1HB PRO 127 -21.882 -10.191 -5.517 1000 1HG PRO 127 2HG PRO 127 -19.884 -12.142 -6.591 1001 2HG PRO 127 1HG PRO 127 -20.369 -10.565 -7.242 1002 1HD PRO 127 2HD PRO 127 -18.098 -10.955 -5.773 1003 2HD PRO 127 1HD PRO 127 -18.977 -9.414 -5.828 1004 H ALA 128 H ALA 128 -18.781 -12.464 -3.045 1005 HA ALA 128 HA ALA 128 -18.226 -14.524 -2.297 1006 1HB ALA 128 1HB ALA 128 -20.268 -14.482 -0.960 1007 2HB ALA 128 2HB ALA 128 -19.934 -16.102 -1.569 1008 3HB ALA 128 3HB ALA 128 -21.185 -15.114 -2.328 1009 H ALA 129 H ALA 129 -18.490 -16.951 -2.940 1010 HA ALA 129 HA ALA 129 -19.159 -17.299 -5.743 1011 1HB ALA 129 1HB ALA 129 -16.872 -16.442 -5.842 1012 2HB ALA 129 2HB ALA 129 -16.936 -18.132 -6.345 1013 3HB ALA 129 3HB ALA 129 -16.339 -17.711 -4.738 1014 H GLN 130 H GLN 130 -18.733 -19.638 -6.387 1015 HA GLN 130 HA GLN 130 -19.695 -21.316 -4.211 1016 1HB GLN 130 2HB GLN 130 -20.848 -21.406 -6.374 1017 2HB GLN 130 1HB GLN 130 -19.356 -21.915 -7.154 1018 1HG GLN 130 2HG GLN 130 -19.365 -23.984 -5.914 1019 2HG GLN 130 1HG GLN 130 -20.786 -23.467 -5.006 1020 1HE2 GLN 130 1HE2 GLN 130 -19.586 -24.552 -8.083 1021 2HE2 GLN 130 2HE2 GLN 130 -21.125 -24.951 -8.768 1022 H GLU 131 H GLU 131 -18.397 -22.454 -3.030 1023 HA GLU 131 HA GLU 131 -16.712 -23.750 -2.287 1024 1HB GLU 131 2HB GLU 131 -16.095 -24.053 -5.223 1025 2HB GLU 131 1HB GLU 131 -15.179 -24.865 -3.961 1026 1HG GLU 131 2HG GLU 131 -18.129 -25.178 -4.480 1027 2HG GLU 131 1HG GLU 131 -16.872 -26.330 -4.928 1028 H THR 132 H THR 132 -15.019 -22.280 -5.043 1029 HA THR 132 HA THR 132 -13.750 -20.252 -3.586 1030 HB THR 132 HB THR 132 -12.678 -22.143 -2.399 1031 HG1 THR 132 1HG THR 132 -11.000 -20.875 -2.285 1032 1HG2 THR 132 1HG2 THR 132 -11.518 -22.820 -5.102 1033 2HG2 THR 132 2HG2 THR 132 -12.702 -23.783 -4.218 1034 3HG2 THR 132 3HG2 THR 132 -11.074 -23.573 -3.570 1035 H VAL 133 H VAL 133 -11.722 -19.480 -4.823 1036 HA VAL 133 HA VAL 133 -12.221 -19.879 -7.699 1037 HB VAL 133 HB VAL 133 -11.435 -17.557 -8.047 1038 1HG1 VAL 133 1HG1 VAL 133 -13.818 -18.018 -7.922 1039 2HG1 VAL 133 2HG1 VAL 133 -13.461 -16.448 -7.205 1040 3HG1 VAL 133 3HG1 VAL 133 -13.780 -17.838 -6.169 1041 1HG2 VAL 133 1HG2 VAL 133 -11.282 -16.032 -6.131 1042 2HG2 VAL 133 2HG2 VAL 133 -10.073 -17.313 -6.042 1043 3HG2 VAL 133 3HG2 VAL 133 -11.519 -17.395 -5.035 1044 H GLN 134 H GLN 134 -10.152 -20.832 -5.484 1045 HA GLN 134 HA GLN 134 -7.675 -20.020 -6.727 1046 1HB GLN 134 2HB GLN 134 -6.627 -21.563 -5.039 1047 2HB GLN 134 1HB GLN 134 -7.558 -20.238 -4.367 1048 1HG GLN 134 2HG GLN 134 -8.165 -22.017 -3.036 1049 2HG GLN 134 1HG GLN 134 -9.476 -21.952 -4.208 1050 1HE2 GLN 134 1HE2 GLN 134 -6.686 -23.697 -3.113 1051 2HE2 GLN 134 2HE2 GLN 134 -7.006 -25.163 -3.985 Start of MODEL 7 1 1H MET 1 1HT MET 1 11.877 22.507 6.654 2 2H MET 1 2HT MET 1 12.621 22.832 5.171 3 3H MET 1 3HT MET 1 11.963 24.101 6.085 4 HA MET 1 HA MET 1 14.382 24.007 6.213 5 1HB MET 1 2HB MET 1 14.539 24.280 8.598 6 2HB MET 1 1HB MET 1 12.997 24.932 8.068 7 1HG MET 1 2HG MET 1 13.392 22.226 9.335 8 2HG MET 1 1HG MET 1 12.848 23.675 10.175 9 1HE MET 1 1HE MET 1 10.700 22.364 11.074 10 2HE MET 1 2HE MET 1 11.304 20.921 10.259 11 3HE MET 1 3HE MET 1 9.631 21.432 10.024 12 H ALA 2 H ALA 2 16.233 22.913 6.703 13 HA ALA 2 HA ALA 2 17.667 21.228 7.177 14 1HB ALA 2 1HB ALA 2 15.328 19.807 8.446 15 2HB ALA 2 2HB ALA 2 16.415 20.932 9.263 16 3HB ALA 2 3HB ALA 2 17.035 19.406 8.636 17 H ASN 3 H ASN 3 18.463 20.129 5.530 18 HA ASN 3 HA ASN 3 16.688 18.668 3.756 19 1HB ASN 3 2HB ASN 3 18.532 20.046 2.825 20 2HB ASN 3 1HB ASN 3 19.698 19.003 3.635 21 1HD2 ASN 3 1HD2 ASN 3 16.762 17.815 2.133 22 2HD2 ASN 3 2HD2 ASN 3 17.546 16.968 0.847 23 H ASP 4 H ASP 4 19.741 17.883 5.405 24 HA ASP 4 HA ASP 4 20.487 16.083 6.535 25 1HB ASP 4 2HB ASP 4 18.469 16.494 7.921 26 2HB ASP 4 1HB ASP 4 17.567 15.379 6.901 27 H THR 5 H THR 5 17.608 14.442 5.351 28 HA THR 5 HA THR 5 17.259 12.746 3.900 29 HB THR 5 HB THR 5 19.946 13.436 2.694 30 HG1 THR 5 1HG THR 5 17.992 15.050 2.902 31 1HG2 THR 5 1HG2 THR 5 17.515 12.059 1.536 32 2HG2 THR 5 2HG2 THR 5 19.034 11.271 1.964 33 3HG2 THR 5 3HG2 THR 5 18.991 12.455 0.655 34 HA PRO 6 HA PRO 6 19.644 9.644 6.151 35 1HB PRO 6 2HB PRO 6 17.629 7.913 6.482 36 2HB PRO 6 1HB PRO 6 17.745 9.386 7.454 37 1HG PRO 6 2HG PRO 6 16.017 8.809 5.083 38 2HG PRO 6 1HG PRO 6 15.624 9.688 6.572 39 1HD PRO 6 2HD PRO 6 16.307 10.876 4.168 40 2HD PRO 6 1HD PRO 6 16.438 11.654 5.757 41 H PHE 7 H PHE 7 20.148 7.386 5.665 42 HA PHE 7 HA PHE 7 20.253 6.926 2.821 43 1HB PHE 7 2HB PHE 7 21.369 5.396 5.174 44 2HB PHE 7 1HB PHE 7 21.547 4.858 3.507 45 HD1 PHE 7 1HD PHE 7 22.909 6.135 1.928 46 HD2 PHE 7 2HD PHE 7 22.633 7.237 6.028 47 HE1 PHE 7 1HE PHE 7 24.901 7.557 1.676 48 HE2 PHE 7 2HE PHE 7 24.624 8.663 5.785 49 HZ PHE 7 HZ PHE 7 25.761 8.824 3.604 50 H SER 8 H SER 8 20.033 4.368 2.321 51 HA SER 8 HA SER 8 17.174 3.999 2.483 52 1HB SER 8 2HB SER 8 17.721 2.068 0.899 53 2HB SER 8 1HB SER 8 18.103 3.693 0.326 54 HG SER 8 HG SER 8 20.131 3.175 0.267 55 H ALA 9 H ALA 9 18.848 3.490 4.911 56 HA ALA 9 HA ALA 9 19.089 0.726 5.381 57 1HB ALA 9 1HB ALA 9 18.625 2.956 7.359 58 2HB ALA 9 2HB ALA 9 20.187 2.358 6.800 59 3HB ALA 9 3HB ALA 9 19.140 1.319 7.765 60 H LEU 10 H LEU 10 16.423 2.974 5.843 61 HA LEU 10 HA LEU 10 14.613 1.186 7.068 62 1HB LEU 10 2HB LEU 10 14.082 3.578 5.304 63 2HB LEU 10 1HB LEU 10 12.875 2.768 6.285 64 HG LEU 10 HG LEU 10 15.330 4.129 7.396 65 1HD1 LEU 10 1HD1 LEU 10 13.794 5.900 8.102 66 2HD1 LEU 10 2HD1 LEU 10 12.483 5.109 7.224 67 3HD1 LEU 10 3HD1 LEU 10 13.868 5.760 6.345 68 1HD2 LEU 10 1HD2 LEU 10 14.442 2.345 8.805 69 2HD2 LEU 10 2HD2 LEU 10 12.838 3.072 8.727 70 3HD2 LEU 10 3HD2 LEU 10 14.156 3.927 9.527 71 H TRP 11 H TRP 11 15.286 1.977 3.699 72 HA TRP 11 HA TRP 11 13.141 0.456 2.613 73 1HB TRP 11 2HB TRP 11 14.509 2.420 1.571 74 2HB TRP 11 1HB TRP 11 15.635 1.159 1.089 75 HD1 TRP 11 HD TRP 11 14.985 -0.326 -0.973 76 HE1 TRP 11 1HE TRP 11 13.045 -0.255 -2.664 77 HE3 TRP 11 3HE TRP 11 11.941 3.017 1.412 78 HZ2 TRP 11 2HZ TRP 11 10.560 1.046 -2.953 79 HZ3 TRP 11 3HZ TRP 11 9.801 3.624 0.361 80 HH2 TRP 11 HH TRP 11 9.126 2.658 -1.779 81 H GLN 12 H GLN 12 16.502 -0.165 3.371 82 HA GLN 12 HA GLN 12 16.856 -2.631 2.105 83 1HB GLN 12 2HB GLN 12 18.713 -1.406 3.053 84 2HB GLN 12 1HB GLN 12 18.024 -1.532 4.664 85 1HG GLN 12 2HG GLN 12 18.384 -3.925 4.666 86 2HG GLN 12 1HG GLN 12 18.993 -3.852 3.013 87 1HE2 GLN 12 1HE2 GLN 12 20.429 -1.355 3.451 88 2HE2 GLN 12 2HE2 GLN 12 21.826 -1.769 4.390 89 H ARG 13 H ARG 13 15.435 -1.814 5.223 90 HA ARG 13 HA ARG 13 15.106 -4.453 6.174 91 1HB ARG 13 2HB ARG 13 13.605 -1.909 6.802 92 2HB ARG 13 1HB ARG 13 13.358 -3.423 7.662 93 1HG ARG 13 2HG ARG 13 16.004 -2.005 7.475 94 2HG ARG 13 1HG ARG 13 14.868 -1.818 8.813 95 1HD ARG 13 2HD ARG 13 16.069 -4.443 7.939 96 2HD ARG 13 1HD ARG 13 16.686 -3.454 9.263 97 HE ARG 13 HE ARG 13 13.955 -3.924 9.702 98 1HH1 ARG 13 1HH1 ARG 13 16.952 -5.748 9.567 99 2HH1 ARG 13 2HH1 ARG 13 16.457 -6.893 10.779 100 1HH2 ARG 13 1HH2 ARG 13 13.299 -5.422 11.277 101 2HH2 ARG 13 2HH2 ARG 13 14.373 -6.705 11.760 102 H LEU 14 H LEU 14 13.278 -2.473 3.975 103 HA LEU 14 HA LEU 14 10.917 -4.071 3.967 104 1HB LEU 14 2HB LEU 14 11.960 -2.207 1.831 105 2HB LEU 14 1HB LEU 14 10.326 -2.832 1.944 106 HG LEU 14 HG LEU 14 11.642 -0.937 3.894 107 1HD1 LEU 14 1HD1 LEU 14 9.431 -0.528 1.888 108 2HD1 LEU 14 2HD1 LEU 14 11.065 0.132 1.798 109 3HD1 LEU 14 3HD1 LEU 14 9.969 0.658 3.077 110 1HD2 LEU 14 1HD2 LEU 14 10.096 -2.471 5.018 111 2HD2 LEU 14 2HD2 LEU 14 8.829 -2.030 3.871 112 3HD2 LEU 14 3HD2 LEU 14 9.469 -0.823 4.986 113 H LEU 15 H LEU 15 13.759 -3.857 1.838 114 HA LEU 15 HA LEU 15 13.046 -5.956 0.106 115 1HB LEU 15 2HB LEU 15 15.623 -4.626 0.825 116 2HB LEU 15 1HB LEU 15 15.667 -6.110 -0.105 117 HG LEU 15 HG LEU 15 14.229 -5.032 -1.821 118 1HD1 LEU 15 1HD1 LEU 15 13.968 -2.605 -1.793 119 2HD1 LEU 15 2HD1 LEU 15 14.683 -2.550 -0.181 120 3HD1 LEU 15 3HD1 LEU 15 13.140 -3.368 -0.435 121 1HD2 LEU 15 1HD2 LEU 15 16.796 -3.591 -1.180 122 2HD2 LEU 15 2HD2 LEU 15 15.987 -3.616 -2.748 123 3HD2 LEU 15 3HD2 LEU 15 16.647 -5.105 -2.074 124 H THR 16 H THR 16 14.508 -5.925 3.268 125 HA THR 16 HA THR 16 15.394 -8.595 3.347 126 HB THR 16 HB THR 16 14.323 -6.926 5.637 127 HG1 THR 16 1HG THR 16 16.174 -6.080 4.340 128 1HG2 THR 16 1HG2 THR 16 16.163 -9.324 5.630 129 2HG2 THR 16 2HG2 THR 16 14.495 -9.298 6.204 130 3HG2 THR 16 3HG2 THR 16 15.733 -8.364 7.044 131 H ARG 17 H ARG 17 12.384 -7.168 4.625 132 HA ARG 17 HA ARG 17 10.664 -9.025 3.433 133 1HB ARG 17 2HB ARG 17 11.764 -9.877 6.008 134 2HB ARG 17 1HB ARG 17 10.004 -9.844 5.986 135 1HG ARG 17 2HG ARG 17 10.015 -11.255 3.981 136 2HG ARG 17 1HG ARG 17 11.776 -11.307 4.041 137 1HD ARG 17 2HD ARG 17 11.646 -12.365 6.258 138 2HD ARG 17 1HD ARG 17 9.885 -12.357 6.137 139 HE ARG 17 HE ARG 17 11.294 -13.674 3.966 140 1HH1 ARG 17 1HH1 ARG 17 9.607 -14.025 7.020 141 2HH1 ARG 17 2HH1 ARG 17 9.314 -15.727 6.799 142 1HH2 ARG 17 1HH2 ARG 17 10.887 -15.874 3.665 143 2HH2 ARG 17 2HH2 ARG 17 10.057 -16.785 4.892 144 H GLY 18 H GLY 18 8.916 -7.855 3.159 145 1HA GLY 18 2HA GLY 18 7.142 -6.940 4.953 146 2HA GLY 18 1HA GLY 18 8.327 -5.640 4.924 147 H TRP 19 H TRP 19 8.377 -4.249 3.246 148 HA TRP 19 HA TRP 19 6.160 -4.354 1.371 149 1HB TRP 19 2HB TRP 19 8.228 -2.238 1.975 150 2HB TRP 19 1HB TRP 19 6.997 -2.064 0.734 151 HD1 TRP 19 HD TRP 19 5.338 -3.755 3.501 152 HE1 TRP 19 1HE TRP 19 4.033 -2.078 4.945 153 HE3 TRP 19 3HE TRP 19 7.430 0.574 1.793 154 HZ2 TRP 19 2HZ TRP 19 3.904 0.737 5.307 155 HZ3 TRP 19 3HZ TRP 19 6.665 2.711 2.726 156 HH2 TRP 19 HH TRP 19 4.939 2.791 4.436 157 H GLN 20 H GLN 20 6.360 -4.988 -0.678 158 HA GLN 20 HA GLN 20 9.010 -5.429 -1.805 159 1HB GLN 20 2HB GLN 20 7.327 -7.177 -2.126 160 2HB GLN 20 1HB GLN 20 6.258 -6.028 -2.917 161 1HG GLN 20 2HG GLN 20 7.340 -7.441 -4.548 162 2HG GLN 20 1HG GLN 20 7.876 -5.772 -4.730 163 1HE2 GLN 20 1HE2 GLN 20 9.732 -6.416 -5.816 164 2HE2 GLN 20 2HE2 GLN 20 11.072 -7.143 -4.998 165 HA PRO 21 HA PRO 21 8.731 -1.343 -3.635 166 1HB PRO 21 2HB PRO 21 11.166 -1.434 -4.855 167 2HB PRO 21 1HB PRO 21 10.955 -1.078 -3.137 168 1HG PRO 21 2HG PRO 21 11.710 -3.654 -4.460 169 2HG PRO 21 1HG PRO 21 12.373 -2.916 -2.989 170 1HD PRO 21 2HD PRO 21 10.568 -4.931 -2.921 171 2HD PRO 21 1HD PRO 21 10.633 -3.664 -1.681 172 H VAL 22 H VAL 22 7.554 -0.989 -5.399 173 HA VAL 22 HA VAL 22 8.098 -2.616 -7.792 174 HB VAL 22 HB VAL 22 5.737 -2.163 -8.474 175 1HG1 VAL 22 1HG1 VAL 22 6.350 -4.301 -7.516 176 2HG1 VAL 22 2HG1 VAL 22 4.747 -3.830 -6.952 177 3HG1 VAL 22 3HG1 VAL 22 6.142 -3.662 -5.885 178 1HG2 VAL 22 1HG2 VAL 22 5.478 -1.166 -5.638 179 2HG2 VAL 22 2HG2 VAL 22 4.139 -1.466 -6.747 180 3HG2 VAL 22 3HG2 VAL 22 5.315 -0.199 -7.105 181 H GLU 23 H GLU 23 6.982 -1.403 -9.764 182 HA GLU 23 HA GLU 23 7.715 1.403 -9.872 183 1HB GLU 23 2HB GLU 23 9.229 -0.714 -11.412 184 2HB GLU 23 1HB GLU 23 9.245 0.987 -11.836 185 1HG GLU 23 2HG GLU 23 10.261 1.514 -9.682 186 2HG GLU 23 1HG GLU 23 10.248 -0.201 -9.264 187 H ALA 24 H ALA 24 7.358 2.228 -12.155 188 HA ALA 24 HA ALA 24 4.925 1.229 -13.255 189 1HB ALA 24 1HB ALA 24 6.894 3.221 -14.382 190 2HB ALA 24 2HB ALA 24 5.488 3.596 -13.385 191 3HB ALA 24 3HB ALA 24 5.270 2.922 -14.999 192 H SER 25 H SER 25 8.263 0.616 -13.717 193 HA SER 25 HA SER 25 8.325 -0.343 -16.345 194 1HB SER 25 2HB SER 25 10.043 -1.495 -14.167 195 2HB SER 25 1HB SER 25 10.480 -1.073 -15.821 196 HG SER 25 HG SER 25 10.908 0.379 -13.717 197 H THR 26 H THR 26 7.366 -1.852 -13.326 198 HA THR 26 HA THR 26 6.913 -4.378 -14.767 199 HB THR 26 HB THR 26 8.790 -4.632 -13.237 200 HG1 THR 26 1HG THR 26 6.367 -5.959 -12.694 201 1HG2 THR 26 1HG2 THR 26 8.518 -4.390 -10.819 202 2HG2 THR 26 2HG2 THR 26 6.872 -3.801 -11.060 203 3HG2 THR 26 3HG2 THR 26 8.241 -2.859 -11.652 204 H VAL 27 H VAL 27 5.277 -1.866 -13.516 205 HA VAL 27 HA VAL 27 3.492 -3.021 -11.677 206 HB VAL 27 HB VAL 27 3.758 -0.582 -11.921 207 1HG1 VAL 27 1HG1 VAL 27 3.886 -0.376 -14.325 208 2HG1 VAL 27 2HG1 VAL 27 2.567 0.616 -13.697 209 3HG1 VAL 27 3HG1 VAL 27 2.215 -0.923 -14.483 210 1HG2 VAL 27 1HG2 VAL 27 0.936 -1.576 -12.302 211 2HG2 VAL 27 2HG2 VAL 27 1.383 0.009 -11.670 212 3HG2 VAL 27 3HG2 VAL 27 1.806 -1.450 -10.772 213 H ASP 28 H ASP 28 3.363 -2.728 -15.188 214 HA ASP 28 HA ASP 28 0.739 -3.638 -15.575 215 1HB ASP 28 2HB ASP 28 1.820 -2.619 -17.418 216 2HB ASP 28 1HB ASP 28 3.202 -3.704 -17.307 217 H ASP 29 H ASP 29 3.805 -5.431 -15.710 218 HA ASP 29 HA ASP 29 2.567 -7.931 -16.183 219 1HB ASP 29 2HB ASP 29 4.988 -7.240 -16.685 220 2HB ASP 29 1HB ASP 29 5.309 -7.592 -14.991 221 H TRP 30 H TRP 30 3.413 -6.172 -13.295 222 HA TRP 30 HA TRP 30 3.330 -8.299 -11.456 223 1HB TRP 30 2HB TRP 30 4.141 -5.915 -11.056 224 2HB TRP 30 1HB TRP 30 2.449 -5.470 -10.875 225 HD1 TRP 30 HD TRP 30 5.150 -7.632 -9.183 226 HE1 TRP 30 1HE TRP 30 4.519 -7.928 -6.700 227 HE3 TRP 30 3HE TRP 30 0.556 -5.390 -9.241 228 HZ2 TRP 30 2HZ TRP 30 2.358 -7.292 -5.002 229 HZ3 TRP 30 3HZ TRP 30 -0.727 -5.272 -7.146 230 HH2 TRP 30 HH TRP 30 0.156 -6.206 -5.070 231 H ILE 31 H ILE 31 0.783 -5.919 -12.284 232 HA ILE 31 HA ILE 31 -1.287 -7.201 -10.885 233 HB ILE 31 HB ILE 31 -1.287 -5.251 -13.172 234 1HG1 ILE 31 2HG1 ILE 31 -2.629 -3.945 -11.414 235 2HG1 ILE 31 1HG1 ILE 31 -2.129 -5.191 -10.278 236 1HG2 ILE 31 1HG2 ILE 31 -3.164 -6.713 -13.641 237 2HG2 ILE 31 2HG2 ILE 31 -3.732 -5.137 -13.085 238 3HG2 ILE 31 3HG2 ILE 31 -3.751 -6.520 -11.988 239 1HD1 ILE 31 1HD1 ILE 31 -0.371 -3.293 -11.795 240 2HD1 ILE 31 2HD1 ILE 31 0.230 -4.644 -10.841 241 3HD1 ILE 31 3HD1 ILE 31 -0.661 -3.339 -10.057 242 H LYS 32 H LYS 32 -0.082 -7.602 -14.153 243 HA LYS 32 HA LYS 32 -2.047 -9.315 -15.167 244 1HB LYS 32 2HB LYS 32 -0.316 -8.208 -16.522 245 2HB LYS 32 1HB LYS 32 0.916 -9.212 -15.772 246 1HG LYS 32 2HG LYS 32 -0.522 -11.176 -16.705 247 2HG LYS 32 1HG LYS 32 -1.151 -9.934 -17.792 248 1HD LYS 32 2HD LYS 32 1.737 -10.731 -17.431 249 2HD LYS 32 1HD LYS 32 0.719 -11.063 -18.833 250 1HE LYS 32 2HE LYS 32 0.601 -8.737 -19.382 251 2HE LYS 32 1HE LYS 32 1.396 -8.287 -17.871 252 1HZ LYS 32 1HZ LYS 32 2.894 -8.243 -19.813 253 2HZ LYS 32 2HZ LYS 32 2.662 -9.913 -20.013 254 3HZ LYS 32 3HZ LYS 32 3.409 -9.324 -18.609 255 H ARG 33 H ARG 33 0.905 -9.992 -13.349 256 HA ARG 33 HA ARG 33 0.733 -12.835 -13.771 257 1HB ARG 33 2HB ARG 33 2.809 -11.315 -13.516 258 2HB ARG 33 1HB ARG 33 2.521 -11.468 -11.797 259 1HG ARG 33 2HG ARG 33 2.766 -13.878 -11.937 260 2HG ARG 33 1HG ARG 33 3.005 -13.764 -13.684 261 1HD ARG 33 2HD ARG 33 4.998 -12.383 -13.314 262 2HD ARG 33 1HD ARG 33 4.763 -12.522 -11.573 263 HE ARG 33 HE ARG 33 4.905 -15.107 -12.544 264 1HH1 ARG 33 1HH1 ARG 33 6.967 -12.274 -12.509 265 2HH1 ARG 33 2HH1 ARG 33 8.446 -13.188 -12.427 266 1HH2 ARG 33 1HH2 ARG 33 6.836 -16.323 -12.460 267 2HH2 ARG 33 2HH2 ARG 33 8.374 -15.502 -12.400 268 H VAL 34 H VAL 34 0.386 -10.654 -10.975 269 HA VAL 34 HA VAL 34 -0.335 -12.958 -9.328 270 HB VAL 34 HB VAL 34 -0.140 -11.520 -7.396 271 1HG1 VAL 34 1HG1 VAL 34 2.240 -10.963 -7.548 272 2HG1 VAL 34 2HG1 VAL 34 2.166 -11.154 -9.299 273 3HG1 VAL 34 3HG1 VAL 34 1.890 -12.544 -8.247 274 1HG2 VAL 34 1HG2 VAL 34 0.422 -9.274 -9.325 275 2HG2 VAL 34 2HG2 VAL 34 0.554 -9.185 -7.569 276 3HG2 VAL 34 3HG2 VAL 34 -1.019 -9.444 -8.322 277 H GLY 35 H GLY 35 -1.778 -9.987 -10.551 278 1HA GLY 35 2HA GLY 35 -4.061 -9.783 -11.068 279 2HA GLY 35 1HA GLY 35 -4.402 -11.134 -10.002 280 H ASP 36 H ASP 36 -3.339 -10.366 -7.634 281 HA ASP 36 HA ASP 36 -5.004 -8.024 -7.000 282 1HB ASP 36 2HB ASP 36 -4.441 -10.441 -5.273 283 2HB ASP 36 1HB ASP 36 -5.452 -9.073 -4.833 284 H GLY 37 H GLY 37 -4.344 -6.671 -5.279 285 1HA GLY 37 2HA GLY 37 -2.405 -6.732 -3.481 286 2HA GLY 37 1HA GLY 37 -1.441 -6.560 -4.940 287 H VAL 38 H VAL 38 -0.786 -4.533 -3.762 288 HA VAL 38 HA VAL 38 -2.532 -2.348 -4.633 289 HB VAL 38 HB VAL 38 -2.015 -1.084 -2.519 290 1HG1 VAL 38 1HG1 VAL 38 -3.745 -2.195 -1.172 291 2HG1 VAL 38 2HG1 VAL 38 -3.633 -3.614 -2.212 292 3HG1 VAL 38 3HG1 VAL 38 -4.210 -2.085 -2.871 293 1HG2 VAL 38 1HG2 VAL 38 -1.396 -2.392 -0.528 294 2HG2 VAL 38 2HG2 VAL 38 -0.119 -2.397 -1.746 295 3HG2 VAL 38 3HG2 VAL 38 -1.156 -3.810 -1.549 296 H ILE 39 H ILE 39 -1.475 -0.484 -5.251 297 HA ILE 39 HA ILE 39 1.465 -0.500 -5.029 298 HB ILE 39 HB ILE 39 -0.259 0.502 -7.290 299 1HG1 ILE 39 2HG1 ILE 39 1.601 -0.683 -8.614 300 2HG1 ILE 39 1HG1 ILE 39 2.092 -1.378 -7.076 301 1HG2 ILE 39 1HG2 ILE 39 2.611 1.252 -6.775 302 2HG2 ILE 39 2HG2 ILE 39 1.222 2.335 -6.713 303 3HG2 ILE 39 3HG2 ILE 39 1.703 1.606 -8.245 304 1HD1 ILE 39 1HD1 ILE 39 -0.602 -1.718 -8.389 305 2HD1 ILE 39 2HD1 ILE 39 -0.108 -2.423 -6.848 306 3HD1 ILE 39 3HD1 ILE 39 0.697 -2.914 -8.339 307 H LEU 40 H LEU 40 2.271 1.060 -3.820 308 HA LEU 40 HA LEU 40 0.554 3.289 -3.021 309 1HB LEU 40 2HB LEU 40 2.016 1.709 -1.484 310 2HB LEU 40 1HB LEU 40 3.297 2.820 -1.925 311 HG LEU 40 HG LEU 40 0.726 3.584 -0.528 312 1HD1 LEU 40 1HD1 LEU 40 3.538 3.354 0.539 313 2HD1 LEU 40 2HD1 LEU 40 2.220 2.228 0.862 314 3HD1 LEU 40 3HD1 LEU 40 2.121 3.891 1.440 315 1HD2 LEU 40 1HD2 LEU 40 1.598 5.415 -1.877 316 2HD2 LEU 40 2HD2 LEU 40 3.189 5.217 -1.138 317 3HD2 LEU 40 3HD2 LEU 40 1.820 5.742 -0.158 318 H LEU 41 H LEU 41 0.730 5.151 -4.116 319 HA LEU 41 HA LEU 41 3.087 5.700 -5.724 320 1HB LEU 41 2HB LEU 41 0.464 7.146 -5.379 321 2HB LEU 41 1HB LEU 41 1.784 7.804 -6.322 322 HG LEU 41 HG LEU 41 1.662 5.717 -7.748 323 1HD1 LEU 41 1HD1 LEU 41 -0.419 4.459 -7.724 324 2HD1 LEU 41 2HD1 LEU 41 -0.958 5.358 -6.307 325 3HD1 LEU 41 3HD1 LEU 41 0.440 4.290 -6.193 326 1HD2 LEU 41 1HD2 LEU 41 -0.236 6.537 -9.038 327 2HD2 LEU 41 2HD2 LEU 41 0.773 7.866 -8.467 328 3HD2 LEU 41 3HD2 LEU 41 -0.754 7.511 -7.664 329 H SER 42 H SER 42 4.682 7.060 -5.206 330 HA SER 42 HA SER 42 6.042 8.380 -3.979 331 1HB SER 42 2HB SER 42 4.349 10.123 -4.295 332 2HB SER 42 1HB SER 42 3.460 9.532 -2.892 333 HG SER 42 HG SER 42 5.181 10.137 -1.586 334 H SER 43 H SER 43 7.181 7.172 -2.641 335 HA SER 43 HA SER 43 6.257 5.364 -0.785 336 1HB SER 43 2HB SER 43 8.891 6.806 -0.491 337 2HB SER 43 1HB SER 43 8.512 5.128 -0.099 338 HG SER 43 HG SER 43 8.126 4.860 -2.419 339 H ASP 44 H ASP 44 7.833 8.450 0.076 340 HA ASP 44 HA ASP 44 5.916 8.909 2.174 341 1HB ASP 44 2HB ASP 44 7.845 9.155 3.878 342 2HB ASP 44 1HB ASP 44 7.248 7.544 3.512 343 HA PRO 45 HA PRO 45 7.054 12.974 0.628 344 1HB PRO 45 2HB PRO 45 4.793 13.828 2.290 345 2HB PRO 45 1HB PRO 45 5.017 13.974 0.546 346 1HG PRO 45 2HG PRO 45 3.222 12.272 1.622 347 2HG PRO 45 1HG PRO 45 4.089 11.908 0.118 348 1HD PRO 45 2HD PRO 45 4.610 10.915 2.894 349 2HD PRO 45 1HD PRO 45 4.655 10.028 1.355 350 H ARG 46 H ARG 46 6.114 12.235 3.953 351 HA ARG 46 HA ARG 46 6.902 12.853 5.982 352 1HB ARG 46 2HB ARG 46 9.427 13.321 4.394 353 2HB ARG 46 1HB ARG 46 9.338 13.245 6.148 354 1HG ARG 46 2HG ARG 46 8.431 10.925 5.905 355 2HG ARG 46 1HG ARG 46 8.820 11.033 4.186 356 1HD ARG 46 2HD ARG 46 11.165 11.464 4.753 357 2HD ARG 46 1HD ARG 46 10.768 11.346 6.467 358 HE ARG 46 HE ARG 46 10.786 9.141 4.523 359 1HH1 ARG 46 1HH1 ARG 46 10.374 10.269 7.816 360 2HH1 ARG 46 2HH1 ARG 46 10.669 8.704 8.518 361 1HH2 ARG 46 1HH2 ARG 46 11.186 7.080 5.445 362 2HH2 ARG 46 2HH2 ARG 46 11.129 6.892 7.178 363 H ARG 47 H ARG 47 8.848 14.736 6.705 364 HA ARG 47 HA ARG 47 9.392 16.933 6.926 365 1HB ARG 47 2HB ARG 47 7.590 17.333 4.536 366 2HB ARG 47 1HB ARG 47 8.532 18.609 5.292 367 1HG ARG 47 2HG ARG 47 10.579 17.600 4.662 368 2HG ARG 47 1HG ARG 47 9.772 16.106 4.184 369 1HD ARG 47 2HD ARG 47 9.417 18.793 2.858 370 2HD ARG 47 1HD ARG 47 10.419 17.475 2.247 371 HE ARG 47 HE ARG 47 8.186 16.184 2.294 372 1HH1 ARG 47 1HH1 ARG 47 8.542 19.585 1.557 373 2HH1 ARG 47 2HH1 ARG 47 7.134 19.660 0.541 374 1HH2 ARG 47 1HH2 ARG 47 6.326 16.267 0.961 375 2HH2 ARG 47 2HH2 ARG 47 5.869 17.756 0.193 376 H THR 48 H THR 48 6.986 15.517 8.019 377 HA THR 48 HA THR 48 5.858 17.906 9.270 378 HB THR 48 HB THR 48 4.210 17.258 7.595 379 HG1 THR 48 1HG THR 48 3.189 18.034 9.352 380 1HG2 THR 48 1HG2 THR 48 3.056 15.097 7.682 381 2HG2 THR 48 2HG2 THR 48 4.158 14.559 8.949 382 3HG2 THR 48 3HG2 THR 48 4.774 14.902 7.330 383 HA PRO 49 HA PRO 49 7.358 14.408 11.942 384 1HB PRO 49 2HB PRO 49 9.447 15.572 13.128 385 2HB PRO 49 1HB PRO 49 9.534 15.015 11.454 386 1HG PRO 49 2HG PRO 49 9.189 17.782 12.516 387 2HG PRO 49 1HG PRO 49 10.129 17.222 11.122 388 1HD PRO 49 2HD PRO 49 7.583 18.349 11.012 389 2HD PRO 49 1HD PRO 49 8.345 17.391 9.728 390 H GLU 50 H GLU 50 5.168 16.189 12.658 391 HA GLU 50 HA GLU 50 5.630 16.756 15.470 392 1HB GLU 50 2HB GLU 50 4.006 18.026 13.910 393 2HB GLU 50 1HB GLU 50 2.942 16.643 14.104 394 1HG GLU 50 2HG GLU 50 4.007 18.184 16.449 395 2HG GLU 50 1HG GLU 50 2.543 18.661 15.595 396 H VAL 51 H VAL 51 3.679 14.542 13.514 397 HA VAL 51 HA VAL 51 3.414 12.641 15.678 398 HB VAL 51 HB VAL 51 2.354 11.188 13.980 399 1HG1 VAL 51 1HG1 VAL 51 0.978 12.800 15.188 400 2HG1 VAL 51 2HG1 VAL 51 0.385 12.571 13.542 401 3HG1 VAL 51 3HG1 VAL 51 1.308 14.016 13.954 402 1HG2 VAL 51 1HG2 VAL 51 2.938 13.448 12.068 403 2HG2 VAL 51 2HG2 VAL 51 1.951 12.031 11.713 404 3HG2 VAL 51 3HG2 VAL 51 3.675 11.846 12.038 405 H SER 52 H SER 52 3.931 10.218 14.605 406 HA SER 52 HA SER 52 6.761 10.088 14.382 407 1HB SER 52 2HB SER 52 4.729 7.967 13.639 408 2HB SER 52 1HB SER 52 6.434 7.709 14.011 409 HG SER 52 HG SER 52 6.057 8.156 16.123 410 H ASP 53 H ASP 53 7.664 11.066 12.647 411 HA ASP 53 HA ASP 53 6.463 11.309 10.109 412 1HB ASP 53 2HB ASP 53 8.262 12.802 10.965 413 2HB ASP 53 1HB ASP 53 9.408 11.476 10.796 414 H ASN 54 H ASN 54 5.795 9.410 9.297 415 HA ASN 54 HA ASN 54 7.566 7.727 7.884 416 1HB ASN 54 2HB ASN 54 8.048 6.893 10.198 417 2HB ASN 54 1HB ASN 54 6.342 6.513 10.390 418 1HD2 ASN 54 1HD2 ASN 54 9.336 5.607 8.891 419 2HD2 ASN 54 2HD2 ASN 54 8.814 4.053 8.335 420 HA PRO 55 HA PRO 55 3.580 7.105 5.929 421 1HB PRO 55 2HB PRO 55 4.146 4.869 4.474 422 2HB PRO 55 1HB PRO 55 4.674 6.492 4.018 423 1HG PRO 55 2HG PRO 55 6.198 4.319 5.398 424 2HG PRO 55 1HG PRO 55 6.730 5.414 4.108 425 1HD PRO 55 2HD PRO 55 7.392 5.803 6.695 426 2HD PRO 55 1HD PRO 55 7.122 7.152 5.574 427 H VAL 56 H VAL 56 3.297 6.344 8.470 428 HA VAL 56 HA VAL 56 2.595 3.545 8.659 429 HB VAL 56 HB VAL 56 1.713 4.211 10.944 430 1HG1 VAL 56 1HG1 VAL 56 4.606 4.774 10.284 431 2HG1 VAL 56 2HG1 VAL 56 3.903 3.199 10.648 432 3HG1 VAL 56 3HG1 VAL 56 3.975 4.442 11.897 433 1HG2 VAL 56 1HG2 VAL 56 3.075 6.821 10.258 434 2HG2 VAL 56 2HG2 VAL 56 2.470 6.360 11.848 435 3HG2 VAL 56 3HG2 VAL 56 1.343 6.594 10.510 436 H MET 57 H MET 57 0.839 2.806 7.810 437 HA MET 57 HA MET 57 -1.750 3.540 8.431 438 1HB MET 57 2HB MET 57 -1.174 5.592 7.075 439 2HB MET 57 1HB MET 57 -1.009 4.542 5.673 440 1HG MET 57 2HG MET 57 -3.351 3.842 5.966 441 2HG MET 57 1HG MET 57 -3.498 4.983 7.301 442 1HE MET 57 1HE MET 57 -2.962 7.655 6.936 443 2HE MET 57 2HE MET 57 -2.752 8.379 5.342 444 3HE MET 57 3HE MET 57 -1.518 7.297 5.990 445 H ILE 58 H ILE 58 -0.002 2.688 5.456 446 HA ILE 58 HA ILE 58 -1.838 0.702 4.628 447 HB ILE 58 HB ILE 58 1.038 1.183 3.807 448 1HG1 ILE 58 2HG1 ILE 58 -0.206 1.887 1.643 449 2HG1 ILE 58 1HG1 ILE 58 -1.632 1.977 2.668 450 1HG2 ILE 58 1HG2 ILE 58 -0.981 -0.679 2.572 451 2HG2 ILE 58 2HG2 ILE 58 0.494 -1.143 3.419 452 3HG2 ILE 58 3HG2 ILE 58 0.594 -0.275 1.888 453 1HD1 ILE 58 1HD1 ILE 58 -0.576 4.152 2.359 454 2HD1 ILE 58 2HD1 ILE 58 0.909 3.534 3.088 455 3HD1 ILE 58 3HD1 ILE 58 -0.568 3.652 4.049 456 H ALA 59 H ALA 59 1.034 0.660 6.614 457 HA ALA 59 HA ALA 59 1.511 -2.103 6.652 458 1HB ALA 59 1HB ALA 59 2.046 -0.080 8.823 459 2HB ALA 59 2HB ALA 59 3.127 -0.473 7.484 460 3HB ALA 59 3HB ALA 59 2.760 -1.690 8.709 461 H GLU 60 H GLU 60 -0.331 -0.059 8.945 462 HA GLU 60 HA GLU 60 -1.283 -2.131 10.548 463 1HB GLU 60 2HB GLU 60 -2.644 0.492 9.917 464 2HB GLU 60 1HB GLU 60 -2.997 -0.551 11.276 465 1HG GLU 60 2HG GLU 60 -1.680 0.951 12.314 466 2HG GLU 60 1HG GLU 60 -0.457 -0.201 11.792 467 H LEU 61 H LEU 61 -2.675 -0.637 7.657 468 HA LEU 61 HA LEU 61 -5.094 -1.960 7.485 469 1HB LEU 61 2HB LEU 61 -3.158 -0.916 5.468 470 2HB LEU 61 1HB LEU 61 -4.516 -1.868 4.913 471 HG LEU 61 HG LEU 61 -4.735 0.663 6.547 472 1HD1 LEU 61 1HD1 LEU 61 -5.182 0.183 3.605 473 2HD1 LEU 61 2HD1 LEU 61 -3.867 1.116 4.322 474 3HD1 LEU 61 3HD1 LEU 61 -5.531 1.681 4.470 475 1HD2 LEU 61 1HD2 LEU 61 -6.840 -0.988 5.148 476 2HD2 LEU 61 2HD2 LEU 61 -7.111 0.539 5.988 477 3HD2 LEU 61 3HD2 LEU 61 -6.596 -0.886 6.893 478 H LEU 62 H LEU 62 -1.989 -2.979 6.165 479 HA LEU 62 HA LEU 62 -2.802 -5.454 5.124 480 1HB LEU 62 2HB LEU 62 -0.706 -4.341 4.537 481 2HB LEU 62 1HB LEU 62 -0.101 -4.597 6.159 482 HG LEU 62 HG LEU 62 -0.277 -7.075 5.739 483 1HD1 LEU 62 1HD1 LEU 62 -0.697 -6.158 2.898 484 2HD1 LEU 62 2HD1 LEU 62 -1.860 -7.025 3.900 485 3HD1 LEU 62 3HD1 LEU 62 -0.363 -7.814 3.406 486 1HD2 LEU 62 1HD2 LEU 62 1.557 -5.478 3.957 487 2HD2 LEU 62 2HD2 LEU 62 1.784 -7.164 4.426 488 3HD2 LEU 62 3HD2 LEU 62 1.845 -5.892 5.648 489 H ARG 63 H ARG 63 -1.805 -4.518 8.349 490 HA ARG 63 HA ARG 63 -1.319 -7.199 9.226 491 1HB ARG 63 2HB ARG 63 -1.543 -4.599 10.733 492 2HB ARG 63 1HB ARG 63 -1.179 -6.137 11.504 493 1HG ARG 63 2HG ARG 63 0.475 -4.734 9.415 494 2HG ARG 63 1HG ARG 63 0.862 -4.925 11.127 495 1HD ARG 63 2HD ARG 63 0.942 -7.353 10.833 496 2HD ARG 63 1HD ARG 63 0.563 -7.160 9.124 497 HE ARG 63 HE ARG 63 2.980 -5.880 10.204 498 1HH1 ARG 63 1HH1 ARG 63 1.484 -8.291 8.136 499 2HH1 ARG 63 2HH1 ARG 63 2.971 -8.706 7.333 500 1HH2 ARG 63 1HH2 ARG 63 4.928 -6.424 9.148 501 2HH2 ARG 63 2HH2 ARG 63 4.943 -7.659 7.926 502 H GLU 64 H GLU 64 -4.076 -4.984 9.460 503 HA GLU 64 HA GLU 64 -5.454 -7.049 11.023 504 1HB GLU 64 2HB GLU 64 -6.895 -5.261 11.841 505 2HB GLU 64 1HB GLU 64 -5.212 -4.956 12.213 506 1HG GLU 64 2HG GLU 64 -5.102 -3.393 10.329 507 2HG GLU 64 1HG GLU 64 -6.811 -3.684 10.004 508 H PHE 65 H PHE 65 -5.227 -6.831 8.019 509 HA PHE 65 HA PHE 65 -7.908 -6.238 7.148 510 1HB PHE 65 2HB PHE 65 -5.515 -6.387 5.821 511 2HB PHE 65 1HB PHE 65 -6.254 -7.920 5.382 512 HD1 PHE 65 1HD PHE 65 -8.352 -7.976 4.122 513 HD2 PHE 65 2HD PHE 65 -6.383 -4.312 5.022 514 HE1 PHE 65 1HE PHE 65 -9.702 -6.832 2.411 515 HE2 PHE 65 2HE PHE 65 -7.725 -3.162 3.311 516 HZ PHE 65 HZ PHE 65 -9.389 -4.425 2.002 517 HA PRO 66 HA PRO 66 -9.064 -10.400 8.381 518 1HB PRO 66 2HB PRO 66 -11.567 -9.841 9.099 519 2HB PRO 66 1HB PRO 66 -10.196 -9.254 10.048 520 1HG PRO 66 2HG PRO 66 -11.993 -7.774 8.212 521 2HG PRO 66 1HG PRO 66 -11.120 -7.199 9.640 522 1HD PRO 66 2HD PRO 66 -10.352 -6.936 6.899 523 2HD PRO 66 1HD PRO 66 -9.431 -6.442 8.334 524 H GLN 67 H GLN 67 -9.515 -9.092 5.518 525 HA GLN 67 HA GLN 67 -11.927 -10.568 4.771 526 1HB GLN 67 2HB GLN 67 -11.113 -8.084 4.049 527 2HB GLN 67 1HB GLN 67 -10.476 -9.025 2.706 528 1HG GLN 67 2HG GLN 67 -13.350 -9.000 3.616 529 2HG GLN 67 1HG GLN 67 -12.701 -8.101 2.248 530 1HE2 GLN 67 1HE2 GLN 67 -13.644 -11.207 3.458 531 2HE2 GLN 67 2HE2 GLN 67 -13.581 -12.040 1.944 532 H PHE 68 H PHE 68 -8.697 -10.078 3.284 533 HA PHE 68 HA PHE 68 -8.598 -12.922 2.691 534 1HB PHE 68 2HB PHE 68 -7.981 -12.360 0.272 535 2HB PHE 68 1HB PHE 68 -9.679 -12.276 0.719 536 HD1 PHE 68 1HD PHE 68 -7.228 -9.625 1.582 537 HD2 PHE 68 2HD PHE 68 -10.335 -10.873 -1.060 538 HE1 PHE 68 1HE PHE 68 -7.364 -7.352 0.665 539 HE2 PHE 68 2HE PHE 68 -10.472 -8.594 -1.973 540 HZ PHE 68 HZ PHE 68 -8.986 -6.829 -1.112 541 H ASP 69 H ASP 69 -6.542 -13.347 1.300 542 HA ASP 69 HA ASP 69 -4.289 -11.955 2.588 543 1HB ASP 69 2HB ASP 69 -4.528 -14.388 3.080 544 2HB ASP 69 1HB ASP 69 -4.397 -14.725 1.359 545 H TRP 70 H TRP 70 -3.214 -10.601 1.254 546 HA TRP 70 HA TRP 70 -2.985 -11.279 -1.571 547 1HB TRP 70 2HB TRP 70 -3.666 -9.034 -2.274 548 2HB TRP 70 1HB TRP 70 -4.968 -9.889 -1.469 549 HD1 TRP 70 HD TRP 70 -3.248 -8.850 1.438 550 HE1 TRP 70 1HE TRP 70 -4.010 -6.545 2.285 551 HE3 TRP 70 3HE TRP 70 -5.565 -7.150 -2.796 552 HZ2 TRP 70 2HZ TRP 70 -5.399 -4.306 1.297 553 HZ3 TRP 70 3HZ TRP 70 -6.584 -4.911 -2.757 554 HH2 TRP 70 HH TRP 70 -6.502 -3.521 -0.751 555 H GLN 71 H GLN 71 -1.693 -9.287 -2.647 556 HA GLN 71 HA GLN 71 0.842 -9.406 -1.222 557 1HB GLN 71 2HB GLN 71 0.155 -8.636 -4.062 558 2HB GLN 71 1HB GLN 71 1.777 -8.561 -3.399 559 1HG GLN 71 2HG GLN 71 1.617 -10.557 -4.656 560 2HG GLN 71 1HG GLN 71 1.626 -11.015 -2.955 561 1HE2 GLN 71 1HE2 GLN 71 -0.332 -10.683 -5.821 562 2HE2 GLN 71 2HE2 GLN 71 -1.614 -11.717 -5.309 563 H VAL 72 H VAL 72 1.974 -7.664 -0.543 564 HA VAL 72 HA VAL 72 0.695 -5.036 -0.866 565 HB VAL 72 HB VAL 72 0.819 -5.741 1.474 566 1HG1 VAL 72 1HG1 VAL 72 3.797 -5.900 1.027 567 2HG1 VAL 72 2HG1 VAL 72 2.710 -7.238 1.395 568 3HG1 VAL 72 3HG1 VAL 72 3.004 -5.983 2.599 569 1HG2 VAL 72 1HG2 VAL 72 2.764 -3.521 0.859 570 2HG2 VAL 72 2HG2 VAL 72 1.929 -3.777 2.394 571 3HG2 VAL 72 3HG2 VAL 72 1.011 -3.365 0.944 572 H ALA 73 H ALA 73 1.780 -3.455 -1.881 573 HA ALA 73 HA ALA 73 4.659 -3.733 -2.269 574 1HB ALA 73 1HB ALA 73 3.650 -4.855 -4.194 575 2HB ALA 73 2HB ALA 73 4.489 -3.381 -4.675 576 3HB ALA 73 3HB ALA 73 2.730 -3.397 -4.563 577 H VAL 74 H VAL 74 5.735 -1.837 -2.541 578 HA VAL 74 HA VAL 74 4.139 0.629 -2.677 579 HB VAL 74 HB VAL 74 5.604 1.733 -1.063 580 1HG1 VAL 74 1HG1 VAL 74 3.620 0.666 -0.195 581 2HG1 VAL 74 2HG1 VAL 74 4.937 0.524 0.970 582 3HG1 VAL 74 3HG1 VAL 74 4.482 -0.863 -0.019 583 1HG2 VAL 74 1HG2 VAL 74 7.665 0.497 -1.524 584 2HG2 VAL 74 2HG2 VAL 74 6.976 -0.947 -0.784 585 3HG2 VAL 74 3HG2 VAL 74 7.293 0.481 0.199 586 H ALA 75 H ALA 75 5.165 2.352 -3.808 587 HA ALA 75 HA ALA 75 7.190 1.289 -5.647 588 1HB ALA 75 1HB ALA 75 5.267 3.572 -6.048 589 2HB ALA 75 2HB ALA 75 5.069 1.930 -6.661 590 3HB ALA 75 3HB ALA 75 6.394 2.935 -7.247 591 H ASP 76 H ASP 76 8.867 2.626 -6.403 592 HA ASP 76 HA ASP 76 10.261 4.210 -4.579 593 1HB ASP 76 2HB ASP 76 11.286 3.171 -6.566 594 2HB ASP 76 1HB ASP 76 10.366 4.246 -7.609 595 H LEU 77 H LEU 77 10.343 6.401 -4.191 596 HA LEU 77 HA LEU 77 8.008 7.866 -4.346 597 1HB LEU 77 2HB LEU 77 10.101 8.211 -2.890 598 2HB LEU 77 1HB LEU 77 10.725 9.154 -4.226 599 HG LEU 77 HG LEU 77 8.090 9.826 -2.934 600 1HD1 LEU 77 1HD1 LEU 77 9.304 11.457 -1.557 601 2HD1 LEU 77 2HD1 LEU 77 10.832 10.797 -2.137 602 3HD1 LEU 77 3HD1 LEU 77 9.755 9.798 -1.162 603 1HD2 LEU 77 1HD2 LEU 77 8.598 10.856 -5.108 604 2HD2 LEU 77 2HD2 LEU 77 10.097 11.500 -4.437 605 3HD2 LEU 77 3HD2 LEU 77 8.544 12.043 -3.804 606 H GLU 78 H GLU 78 10.806 7.950 -6.523 607 HA GLU 78 HA GLU 78 9.689 10.050 -8.138 608 1HB GLU 78 2HB GLU 78 12.118 9.751 -7.879 609 2HB GLU 78 1HB GLU 78 11.997 8.193 -8.677 610 1HG GLU 78 2HG GLU 78 12.822 9.802 -10.238 611 2HG GLU 78 1HG GLU 78 11.187 9.336 -10.711 612 H GLN 79 H GLN 79 10.268 6.575 -8.568 613 HA GLN 79 HA GLN 79 9.353 6.437 -11.223 614 1HB GLN 79 2HB GLN 79 9.490 4.245 -9.156 615 2HB GLN 79 1HB GLN 79 9.286 3.999 -10.881 616 1HG GLN 79 2HG GLN 79 11.682 5.223 -9.534 617 2HG GLN 79 1HG GLN 79 11.574 3.591 -10.184 618 1HE2 GLN 79 1HE2 GLN 79 10.026 4.525 -12.522 619 2HE2 GLN 79 2HE2 GLN 79 11.181 5.280 -13.565 620 H SER 80 H SER 80 7.567 6.464 -8.260 621 HA SER 80 HA SER 80 5.321 5.002 -9.158 622 1HB SER 80 2HB SER 80 4.179 6.075 -7.175 623 2HB SER 80 1HB SER 80 5.645 5.166 -6.811 624 HG SER 80 HG SER 80 6.764 7.054 -6.573 625 H GLU 81 H GLU 81 6.308 8.271 -9.703 626 HA GLU 81 HA GLU 81 3.767 9.400 -10.205 627 1HB GLU 81 2HB GLU 81 5.787 10.769 -9.906 628 2HB GLU 81 1HB GLU 81 6.445 10.134 -11.409 629 1HG GLU 81 2HG GLU 81 4.621 11.158 -12.652 630 2HG GLU 81 1HG GLU 81 3.934 11.774 -11.151 631 H ALA 82 H ALA 82 6.134 7.802 -12.288 632 HA ALA 82 HA ALA 82 4.689 7.949 -14.685 633 1HB ALA 82 1HB ALA 82 7.056 7.349 -14.607 634 2HB ALA 82 2HB ALA 82 6.109 6.120 -15.451 635 3HB ALA 82 3HB ALA 82 6.646 5.837 -13.796 636 H ILE 83 H ILE 83 4.393 5.822 -11.925 637 HA ILE 83 HA ILE 83 2.861 3.788 -13.158 638 HB ILE 83 HB ILE 83 2.795 4.685 -10.267 639 1HG1 ILE 83 2HG1 ILE 83 4.409 2.523 -11.649 640 2HG1 ILE 83 1HG1 ILE 83 5.038 4.014 -10.948 641 1HG2 ILE 83 1HG2 ILE 83 1.837 2.125 -11.551 642 2HG2 ILE 83 2HG2 ILE 83 0.828 3.385 -10.838 643 3HG2 ILE 83 3HG2 ILE 83 1.907 2.436 -9.816 644 1HD1 ILE 83 1HD1 ILE 83 3.696 1.796 -9.411 645 2HD1 ILE 83 2HD1 ILE 83 4.412 3.258 -8.734 646 3HD1 ILE 83 3HD1 ILE 83 5.435 2.061 -9.526 647 H GLY 84 H GLY 84 1.935 6.699 -11.349 648 1HA GLY 84 2HA GLY 84 -0.852 6.374 -11.636 649 2HA GLY 84 1HA GLY 84 -0.025 7.898 -11.333 650 H ASP 85 H ASP 85 1.562 7.985 -13.632 651 HA ASP 85 HA ASP 85 -0.211 9.151 -15.492 652 1HB ASP 85 2HB ASP 85 2.213 9.733 -15.159 653 2HB ASP 85 1HB ASP 85 2.628 8.247 -15.998 654 H ARG 86 H ARG 86 1.391 6.045 -15.332 655 HA ARG 86 HA ARG 86 0.930 4.883 -17.753 656 1HB ARG 86 2HB ARG 86 2.057 3.655 -16.068 657 2HB ARG 86 1HB ARG 86 0.698 3.756 -14.969 658 1HG ARG 86 2HG ARG 86 0.837 1.528 -15.798 659 2HG ARG 86 1HG ARG 86 -0.589 2.292 -16.498 660 1HD ARG 86 2HD ARG 86 0.675 2.719 -18.565 661 2HD ARG 86 1HD ARG 86 2.075 1.906 -17.856 662 HE ARG 86 HE ARG 86 -0.468 0.454 -18.103 663 1HH1 ARG 86 1HH1 ARG 86 2.867 0.877 -19.089 664 2HH1 ARG 86 2HH1 ARG 86 2.979 -0.686 -19.838 665 1HH2 ARG 86 1HH2 ARG 86 -0.316 -1.610 -19.090 666 2HH2 ARG 86 2HH2 ARG 86 1.185 -2.093 -19.826 667 H PHE 87 H PHE 87 -1.399 5.069 -15.075 668 HA PHE 87 HA PHE 87 -3.518 4.028 -16.750 669 1HB PHE 87 2HB PHE 87 -3.975 5.358 -14.091 670 2HB PHE 87 1HB PHE 87 -4.904 4.075 -14.856 671 HD1 PHE 87 1HD PHE 87 -2.484 4.864 -12.455 672 HD2 PHE 87 2HD PHE 87 -3.666 1.796 -15.147 673 HE1 PHE 87 1HE PHE 87 -1.241 3.232 -11.125 674 HE2 PHE 87 2HE PHE 87 -2.421 0.142 -13.815 675 HZ PHE 87 HZ PHE 87 -1.206 0.859 -11.797 676 H ASN 88 H ASN 88 -3.518 6.911 -14.717 677 HA ASN 88 HA ASN 88 -3.732 8.924 -16.551 678 1HB ASN 88 2HB ASN 88 -5.764 7.502 -17.298 679 2HB ASN 88 1HB ASN 88 -6.540 8.082 -15.830 680 1HD2 ASN 88 1HD2 ASN 88 -7.278 10.168 -15.737 681 2HD2 ASN 88 2HD2 ASN 88 -7.293 11.234 -17.102 682 H VAL 89 H VAL 89 -3.015 8.259 -13.756 683 HA VAL 89 HA VAL 89 -4.745 10.162 -12.309 684 HB VAL 89 HB VAL 89 -3.298 7.781 -11.123 685 1HG1 VAL 89 1HG1 VAL 89 -5.259 9.726 -9.896 686 2HG1 VAL 89 2HG1 VAL 89 -3.532 9.637 -9.556 687 3HG1 VAL 89 3HG1 VAL 89 -4.588 8.301 -9.100 688 1HG2 VAL 89 1HG2 VAL 89 -5.149 7.049 -12.524 689 2HG2 VAL 89 2HG2 VAL 89 -6.238 8.168 -11.703 690 3HG2 VAL 89 3HG2 VAL 89 -5.537 6.811 -10.819 691 H ARG 90 H ARG 90 -3.638 11.998 -12.074 692 HA ARG 90 HA ARG 90 -0.998 11.820 -10.816 693 1HB ARG 90 2HB ARG 90 -0.697 12.299 -13.275 694 2HB ARG 90 1HB ARG 90 -1.602 13.788 -13.036 695 1HG ARG 90 2HG ARG 90 0.099 14.537 -11.424 696 2HG ARG 90 1HG ARG 90 1.020 13.067 -11.739 697 1HD ARG 90 2HD ARG 90 0.320 15.192 -13.766 698 2HD ARG 90 1HD ARG 90 1.892 14.977 -13.001 699 HE ARG 90 HE ARG 90 0.664 12.975 -14.800 700 1HH1 ARG 90 1HH1 ARG 90 3.442 14.717 -13.573 701 2HH1 ARG 90 2HH1 ARG 90 4.559 13.980 -14.685 702 1HH2 ARG 90 1HH2 ARG 90 2.122 12.013 -16.283 703 2HH2 ARG 90 2HH2 ARG 90 3.811 12.448 -16.229 704 H ARG 91 H ARG 91 -2.029 12.286 -8.888 705 HA ARG 91 HA ARG 91 -2.482 15.043 -8.320 706 1HB ARG 91 2HB ARG 91 -4.630 14.662 -9.351 707 2HB ARG 91 1HB ARG 91 -4.869 13.191 -8.425 708 1HG ARG 91 2HG ARG 91 -5.143 14.437 -6.398 709 2HG ARG 91 1HG ARG 91 -4.704 15.941 -7.213 710 1HD ARG 91 2HD ARG 91 -6.700 16.038 -8.381 711 2HD ARG 91 1HD ARG 91 -6.997 14.309 -8.217 712 HE ARG 91 HE ARG 91 -7.818 14.663 -6.048 713 1HH1 ARG 91 1HH1 ARG 91 -6.743 17.678 -7.499 714 2HH1 ARG 91 2HH1 ARG 91 -7.709 18.662 -6.440 715 1HH2 ARG 91 1HH2 ARG 91 -9.059 15.954 -4.659 716 2HH2 ARG 91 2HH2 ARG 91 -9.025 17.690 -4.824 717 H PHE 92 H PHE 92 -0.784 14.352 -6.917 718 HA PHE 92 HA PHE 92 -0.019 14.103 -4.805 719 1HB PHE 92 2HB PHE 92 -2.950 13.789 -4.138 720 2HB PHE 92 1HB PHE 92 -1.670 13.869 -2.931 721 HD1 PHE 92 1HD PHE 92 -0.133 15.951 -3.037 722 HD2 PHE 92 2HD PHE 92 -3.975 15.734 -4.847 723 HE1 PHE 92 1HE PHE 92 -0.250 18.411 -3.070 724 HE2 PHE 92 2HE PHE 92 -4.104 18.189 -4.886 725 HZ PHE 92 HZ PHE 92 -2.239 19.530 -4.000 726 HA PRO 93 HA PRO 93 0.669 9.795 -4.068 727 1HB PRO 93 2HB PRO 93 0.599 10.233 -1.153 728 2HB PRO 93 1HB PRO 93 1.933 9.691 -2.175 729 1HG PRO 93 2HG PRO 93 1.914 12.138 -1.087 730 2HG PRO 93 1HG PRO 93 2.580 11.842 -2.706 731 1HD PRO 93 2HD PRO 93 -0.076 12.995 -1.930 732 2HD PRO 93 1HD PRO 93 1.043 13.503 -3.213 733 H ALA 94 H ALA 94 -0.512 7.973 -3.824 734 HA ALA 94 HA ALA 94 -2.698 7.808 -1.957 735 1HB ALA 94 1HB ALA 94 -3.281 7.712 -4.918 736 2HB ALA 94 2HB ALA 94 -3.782 8.984 -3.805 737 3HB ALA 94 3HB ALA 94 -4.427 7.354 -3.626 738 H THR 95 H THR 95 -3.659 5.631 -1.939 739 HA THR 95 HA THR 95 -1.775 3.621 -2.978 740 HB THR 95 HB THR 95 -3.762 3.287 -0.721 741 HG1 THR 95 1HG THR 95 -1.501 4.658 -0.728 742 1HG2 THR 95 1HG2 THR 95 -2.443 1.292 -0.192 743 2HG2 THR 95 2HG2 THR 95 -1.393 1.612 -1.573 744 3HG2 THR 95 3HG2 THR 95 -3.088 1.200 -1.830 745 H LEU 96 H LEU 96 -2.477 2.438 -4.640 746 HA LEU 96 HA LEU 96 -5.311 2.521 -5.332 747 1HB LEU 96 2HB LEU 96 -2.951 1.443 -6.877 748 2HB LEU 96 1HB LEU 96 -4.586 1.601 -7.479 749 HG LEU 96 HG LEU 96 -2.829 3.914 -6.654 750 1HD1 LEU 96 1HD1 LEU 96 -2.011 2.776 -8.664 751 2HD1 LEU 96 2HD1 LEU 96 -2.642 4.381 -9.029 752 3HD1 LEU 96 3HD1 LEU 96 -3.603 2.950 -9.403 753 1HD2 LEU 96 1HD2 LEU 96 -5.525 3.841 -8.006 754 2HD2 LEU 96 2HD2 LEU 96 -4.552 5.286 -7.732 755 3HD2 LEU 96 3HD2 LEU 96 -5.199 4.384 -6.361 756 H VAL 97 H VAL 97 -6.646 0.828 -5.206 757 HA VAL 97 HA VAL 97 -5.589 -1.642 -4.036 758 HB VAL 97 HB VAL 97 -8.452 -0.699 -4.292 759 1HG1 VAL 97 1HG1 VAL 97 -8.982 -2.500 -2.726 760 2HG1 VAL 97 2HG1 VAL 97 -7.298 -3.027 -2.757 761 3HG1 VAL 97 3HG1 VAL 97 -8.283 -3.128 -4.217 762 1HG2 VAL 97 1HG2 VAL 97 -6.618 -0.701 -1.896 763 2HG2 VAL 97 2HG2 VAL 97 -8.324 -0.261 -1.886 764 3HG2 VAL 97 3HG2 VAL 97 -7.168 0.720 -2.786 765 H PHE 98 H PHE 98 -5.142 -3.235 -5.397 766 HA PHE 98 HA PHE 98 -6.743 -3.503 -7.844 767 1HB PHE 98 2HB PHE 98 -3.947 -4.489 -7.224 768 2HB PHE 98 1HB PHE 98 -4.822 -4.846 -8.710 769 HD1 PHE 98 1HD PHE 98 -3.245 -2.174 -6.724 770 HD2 PHE 98 2HD PHE 98 -4.960 -3.259 -10.464 771 HE1 PHE 98 1HE PHE 98 -2.388 -0.097 -7.716 772 HE2 PHE 98 2HE PHE 98 -4.096 -1.183 -11.455 773 HZ PHE 98 HZ PHE 98 -2.824 0.404 -10.084 774 H THR 99 H THR 99 -8.148 -5.078 -7.855 775 HA THR 99 HA THR 99 -7.480 -7.647 -6.672 776 HB THR 99 HB THR 99 -10.139 -7.399 -5.925 777 HG1 THR 99 1HG THR 99 -8.727 -4.983 -5.412 778 1HG2 THR 99 1HG2 THR 99 -7.675 -6.949 -4.234 779 2HG2 THR 99 2HG2 THR 99 -8.374 -8.515 -4.644 780 3HG2 THR 99 3HG2 THR 99 -9.274 -7.389 -3.629 781 H ASP 100 H ASP 100 -8.484 -9.367 -7.673 782 HA ASP 100 HA ASP 100 -9.593 -10.538 -9.299 783 1HB ASP 100 2HB ASP 100 -11.549 -9.023 -8.663 784 2HB ASP 100 1HB ASP 100 -11.096 -8.016 -10.021 785 H GLY 101 H GLY 101 -7.321 -8.472 -9.658 786 1HA GLY 101 2HA GLY 101 -5.843 -8.068 -11.403 787 2HA GLY 101 1HA GLY 101 -6.978 -8.844 -12.504 788 H LYS 102 H LYS 102 -8.659 -6.660 -10.669 789 HA LYS 102 HA LYS 102 -8.386 -4.599 -12.772 790 1HB LYS 102 2HB LYS 102 -10.809 -5.309 -11.105 791 2HB LYS 102 1HB LYS 102 -10.737 -4.026 -12.305 792 1HG LYS 102 2HG LYS 102 -10.416 -5.624 -14.072 793 2HG LYS 102 1HG LYS 102 -10.313 -6.945 -12.905 794 1HD LYS 102 2HD LYS 102 -12.624 -6.497 -12.215 795 2HD LYS 102 1HD LYS 102 -12.720 -5.194 -13.403 796 1HE LYS 102 2HE LYS 102 -13.751 -7.267 -14.221 797 2HE LYS 102 1HE LYS 102 -12.375 -6.770 -15.206 798 1HZ LYS 102 1HZ LYS 102 -11.011 -8.412 -14.111 799 2HZ LYS 102 2HZ LYS 102 -12.387 -9.161 -14.747 800 3HZ LYS 102 3HZ LYS 102 -12.284 -8.853 -13.079 801 H LEU 103 H LEU 103 -8.435 -2.425 -12.179 802 HA LEU 103 HA LEU 103 -7.610 -1.817 -9.478 803 1HB LEU 103 2HB LEU 103 -6.650 -0.598 -11.389 804 2HB LEU 103 1HB LEU 103 -8.241 0.004 -11.811 805 HG LEU 103 HG LEU 103 -8.320 1.313 -9.750 806 1HD1 LEU 103 1HD1 LEU 103 -5.576 0.203 -9.218 807 2HD1 LEU 103 2HD1 LEU 103 -7.040 -0.162 -8.307 808 3HD1 LEU 103 3HD1 LEU 103 -6.372 1.471 -8.288 809 1HD2 LEU 103 1HD2 LEU 103 -6.562 2.924 -10.278 810 2HD2 LEU 103 2HD2 LEU 103 -7.341 2.326 -11.744 811 3HD2 LEU 103 3HD2 LEU 103 -5.754 1.717 -11.277 812 H ARG 104 H ARG 104 -9.042 -1.712 -7.911 813 HA ARG 104 HA ARG 104 -11.859 -1.441 -8.630 814 1HB ARG 104 2HB ARG 104 -10.591 -2.348 -6.045 815 2HB ARG 104 1HB ARG 104 -12.301 -2.435 -6.451 816 1HG ARG 104 2HG ARG 104 -10.181 -3.841 -8.051 817 2HG ARG 104 1HG ARG 104 -10.989 -4.576 -6.665 818 1HD ARG 104 2HD ARG 104 -12.440 -3.468 -9.060 819 2HD ARG 104 1HD ARG 104 -11.972 -5.159 -8.890 820 HE ARG 104 HE ARG 104 -13.340 -4.963 -6.706 821 1HH1 ARG 104 1HH1 ARG 104 -14.094 -3.396 -9.743 822 2HH1 ARG 104 2HH1 ARG 104 -15.810 -3.387 -9.454 823 1HH2 ARG 104 1HH2 ARG 104 -15.580 -4.962 -6.322 824 2HH2 ARG 104 2HH2 ARG 104 -16.660 -4.250 -7.491 825 H GLY 105 H GLY 105 -9.528 -0.100 -6.300 826 1HA GLY 105 2HA GLY 105 -11.055 2.367 -6.231 827 2HA GLY 105 1HA GLY 105 -11.024 1.473 -4.717 828 H ALA 106 H ALA 106 -10.058 3.814 -4.391 829 HA ALA 106 HA ALA 106 -7.183 3.405 -4.138 830 1HB ALA 106 1HB ALA 106 -8.342 5.849 -5.470 831 2HB ALA 106 2HB ALA 106 -7.431 4.570 -6.275 832 3HB ALA 106 3HB ALA 106 -6.641 5.589 -5.072 833 H LEU 107 H LEU 107 -6.428 4.167 -2.262 834 HA LEU 107 HA LEU 107 -8.209 5.305 -0.342 835 1HB LEU 107 2HB LEU 107 -5.251 4.753 -0.353 836 2HB LEU 107 1HB LEU 107 -5.988 5.654 0.952 837 HG LEU 107 HG LEU 107 -5.720 3.360 1.612 838 1HD1 LEU 107 1HD1 LEU 107 -8.027 2.794 2.192 839 2HD1 LEU 107 2HD1 LEU 107 -8.609 3.974 1.019 840 3HD1 LEU 107 3HD1 LEU 107 -7.697 4.512 2.429 841 1HD2 LEU 107 1HD2 LEU 107 -7.377 2.653 -0.804 842 2HD2 LEU 107 2HD2 LEU 107 -6.847 1.530 0.448 843 3HD2 LEU 107 3HD2 LEU 107 -5.659 2.322 -0.587 844 H SER 108 H SER 108 -8.949 7.281 -0.722 845 HA SER 108 HA SER 108 -7.062 9.367 -1.569 846 1HB SER 108 2HB SER 108 -10.087 9.460 -1.697 847 2HB SER 108 1HB SER 108 -8.945 10.543 -2.497 848 HG SER 108 HG SER 108 -8.745 7.806 -3.033 849 H GLY 109 H GLY 109 -6.381 10.675 0.000 850 1HA GLY 109 2HA GLY 109 -7.485 12.482 1.480 851 2HA GLY 109 1HA GLY 109 -8.103 11.084 2.351 852 H ILE 110 H ILE 110 -6.608 12.902 3.722 853 HA ILE 110 HA ILE 110 -3.835 12.149 3.767 854 HB ILE 110 HB ILE 110 -4.497 14.424 4.386 855 1HG1 ILE 110 2HG1 ILE 110 -3.209 14.620 6.499 856 2HG1 ILE 110 1HG1 ILE 110 -3.283 12.869 6.679 857 1HG2 ILE 110 1HG2 ILE 110 -6.648 13.986 5.407 858 2HG2 ILE 110 2HG2 ILE 110 -5.620 14.885 6.524 859 3HG2 ILE 110 3HG2 ILE 110 -5.867 13.154 6.752 860 1HD1 ILE 110 1HD1 ILE 110 -2.047 12.635 4.560 861 2HD1 ILE 110 2HD1 ILE 110 -1.143 13.514 5.793 862 3HD1 ILE 110 3HD1 ILE 110 -1.914 14.393 4.473 863 H HIS 111 H HIS 111 -6.710 11.342 5.586 864 HA HIS 111 HA HIS 111 -5.626 8.826 6.367 865 1HB HIS 111 2HB HIS 111 -4.718 10.475 8.125 866 2HB HIS 111 1HB HIS 111 -6.384 10.631 8.669 867 HD1 HIS 111 1HD HIS 111 -7.422 8.613 9.935 868 HD2 HIS 111 2HD HIS 111 -3.474 8.042 8.730 869 HE1 HIS 111 1HE HIS 111 -6.621 6.560 11.158 870 HE2 HIS 111 2HE HIS 111 -4.190 6.316 10.514 871 HA PRO 112 HA PRO 112 -10.066 9.157 5.532 872 1HB PRO 112 2HB PRO 112 -9.856 6.462 4.456 873 2HB PRO 112 1HB PRO 112 -10.262 7.967 3.629 874 1HG PRO 112 2HG PRO 112 -7.929 6.638 3.216 875 2HG PRO 112 1HG PRO 112 -8.079 8.397 3.062 876 1HD PRO 112 2HD PRO 112 -6.985 6.781 5.331 877 2HD PRO 112 1HD PRO 112 -6.376 8.297 4.633 878 H TRP 113 H TRP 113 -9.721 5.713 5.734 879 HA TRP 113 HA TRP 113 -10.922 4.184 6.882 880 1HB TRP 113 2HB TRP 113 -9.410 5.549 8.765 881 2HB TRP 113 1HB TRP 113 -11.032 5.552 9.456 882 HD1 TRP 113 HD TRP 113 -12.179 3.075 9.839 883 HE1 TRP 113 1HE TRP 113 -11.085 0.788 10.299 884 HE3 TRP 113 3HE TRP 113 -7.392 4.135 8.361 885 HZ2 TRP 113 2HZ TRP 113 -8.559 -0.404 10.051 886 HZ3 TRP 113 3HZ TRP 113 -5.698 2.356 8.506 887 HH2 TRP 113 HH TRP 113 -6.269 0.136 9.340 888 H ALA 114 H ALA 114 -12.766 4.511 9.038 889 HA ALA 114 HA ALA 114 -14.974 4.876 9.390 890 1HB ALA 114 1HB ALA 114 -14.319 7.227 9.515 891 2HB ALA 114 2HB ALA 114 -15.931 7.043 8.820 892 3HB ALA 114 3HB ALA 114 -14.551 7.387 7.775 893 H GLU 115 H GLU 115 -14.703 6.256 6.115 894 HA GLU 115 HA GLU 115 -16.981 4.758 5.221 895 1HB GLU 115 2HB GLU 115 -16.530 5.797 3.029 896 2HB GLU 115 1HB GLU 115 -16.586 6.982 4.325 897 1HG GLU 115 2HG GLU 115 -14.135 7.041 4.366 898 2HG GLU 115 1HG GLU 115 -14.093 5.873 3.046 899 H LEU 116 H LEU 116 -13.774 4.002 5.656 900 HA LEU 116 HA LEU 116 -13.082 2.373 3.528 901 1HB LEU 116 2HB LEU 116 -12.256 2.733 6.277 902 2HB LEU 116 1HB LEU 116 -12.182 1.041 5.821 903 HG LEU 116 HG LEU 116 -10.858 3.253 4.254 904 1HD1 LEU 116 1HD1 LEU 116 -9.644 1.342 6.248 905 2HD1 LEU 116 2HD1 LEU 116 -9.890 3.070 6.505 906 3HD1 LEU 116 3HD1 LEU 116 -8.770 2.511 5.261 907 1HD2 LEU 116 1HD2 LEU 116 -9.640 1.415 3.213 908 2HD2 LEU 116 2HD2 LEU 116 -11.379 1.223 2.983 909 3HD2 LEU 116 3HD2 LEU 116 -10.538 0.256 4.194 910 H LEU 117 H LEU 117 -15.269 1.745 6.197 911 HA LEU 117 HA LEU 117 -15.558 -1.039 5.732 912 1HB LEU 117 2HB LEU 117 -17.202 1.010 7.185 913 2HB LEU 117 1HB LEU 117 -17.793 -0.626 6.983 914 HG LEU 117 HG LEU 117 -16.797 -0.396 9.163 915 1HD1 LEU 117 1HD1 LEU 117 -15.039 -1.995 7.319 916 2HD1 LEU 117 2HD1 LEU 117 -16.528 -2.541 8.088 917 3HD1 LEU 117 3HD1 LEU 117 -15.112 -2.170 9.071 918 1HD2 LEU 117 1HD2 LEU 117 -14.269 0.446 7.746 919 2HD2 LEU 117 2HD2 LEU 117 -14.422 0.130 9.473 920 3HD2 LEU 117 3HD2 LEU 117 -15.297 1.476 8.745 921 H THR 118 H THR 118 -17.122 1.818 4.439 922 HA THR 118 HA THR 118 -19.141 0.408 2.982 923 HB THR 118 HB THR 118 -18.051 3.169 2.399 924 HG1 THR 118 1HG THR 118 -19.541 3.939 3.887 925 1HG2 THR 118 1HG2 THR 118 -19.521 2.244 0.669 926 2HG2 THR 118 2HG2 THR 118 -20.300 3.584 1.510 927 3HG2 THR 118 3HG2 THR 118 -20.759 1.921 1.885 928 H LEU 119 H LEU 119 -15.993 1.849 2.185 929 HA LEU 119 HA LEU 119 -15.932 1.251 -0.542 930 1HB LEU 119 2HB LEU 119 -13.877 1.763 1.555 931 2HB LEU 119 1HB LEU 119 -13.350 1.171 -0.007 932 HG LEU 119 HG LEU 119 -13.252 3.648 0.319 933 1HD1 LEU 119 1HD1 LEU 119 -13.193 2.662 -1.893 934 2HD1 LEU 119 2HD1 LEU 119 -14.123 4.160 -1.924 935 3HD1 LEU 119 3HD1 LEU 119 -14.955 2.605 -1.935 936 1HD2 LEU 119 1HD2 LEU 119 -15.319 4.926 0.036 937 2HD2 LEU 119 2HD2 LEU 119 -15.318 3.992 1.531 938 3HD2 LEU 119 3HD2 LEU 119 -16.246 3.430 0.142 939 H MET 120 H MET 120 -14.648 -0.600 2.211 940 HA MET 120 HA MET 120 -13.469 -2.678 0.798 941 1HB MET 120 2HB MET 120 -13.221 -2.322 3.232 942 2HB MET 120 1HB MET 120 -14.869 -2.881 3.473 943 1HG MET 120 2HG MET 120 -14.270 -5.079 2.635 944 2HG MET 120 1HG MET 120 -12.629 -4.525 2.316 945 1HE MET 120 1HE MET 120 -12.188 -2.638 4.929 946 2HE MET 120 2HE MET 120 -10.959 -3.706 4.249 947 3HE MET 120 3HE MET 120 -11.345 -3.786 5.968 948 H ARG 121 H ARG 121 -16.808 -2.428 1.970 949 HA ARG 121 HA ARG 121 -17.713 -4.920 1.110 950 1HB ARG 121 2HB ARG 121 -19.032 -2.278 1.607 951 2HB ARG 121 1HB ARG 121 -19.947 -3.652 1.039 952 1HG ARG 121 2HG ARG 121 -19.183 -4.921 3.028 953 2HG ARG 121 1HG ARG 121 -18.399 -3.447 3.604 954 1HD ARG 121 2HD ARG 121 -20.567 -2.305 3.599 955 2HD ARG 121 1HD ARG 121 -21.345 -3.785 3.038 956 HE ARG 121 HE ARG 121 -20.224 -3.304 5.703 957 1HH1 ARG 121 1HH1 ARG 121 -21.899 -5.430 3.490 958 2HH1 ARG 121 2HH1 ARG 121 -22.648 -6.365 4.744 959 1HH2 ARG 121 1HH2 ARG 121 -21.195 -4.533 7.373 960 2HH2 ARG 121 2HH2 ARG 121 -22.212 -5.890 6.953 961 H SER 122 H SER 122 -18.033 -1.746 -0.461 962 HA SER 122 HA SER 122 -19.266 -2.566 -2.786 963 1HB SER 122 2HB SER 122 -17.358 -0.251 -2.427 964 2HB SER 122 1HB SER 122 -18.650 -0.392 -3.602 965 HG SER 122 HG SER 122 -18.825 0.033 -0.831 966 H ILE 123 H ILE 123 -15.813 -2.301 -2.020 967 HA ILE 123 HA ILE 123 -14.933 -2.835 -4.683 968 HB ILE 123 HB ILE 123 -13.504 -2.804 -2.026 969 1HG1 ILE 123 2HG1 ILE 123 -13.393 -0.949 -4.418 970 2HG1 ILE 123 1HG1 ILE 123 -14.273 -0.639 -2.924 971 1HG2 ILE 123 1HG2 ILE 123 -12.309 -3.250 -4.755 972 2HG2 ILE 123 2HG2 ILE 123 -12.359 -4.408 -3.427 973 3HG2 ILE 123 3HG2 ILE 123 -11.393 -2.939 -3.281 974 1HD1 ILE 123 1HD1 ILE 123 -12.179 -0.606 -1.689 975 2HD1 ILE 123 2HD1 ILE 123 -12.170 0.574 -2.999 976 3HD1 ILE 123 3HD1 ILE 123 -11.290 -0.945 -3.174 977 H VAL 124 H VAL 124 -15.093 -4.793 -1.706 978 HA VAL 124 HA VAL 124 -15.000 -7.199 -3.333 979 HB VAL 124 HB VAL 124 -13.412 -8.223 -1.598 980 1HG1 VAL 124 1HG1 VAL 124 -11.426 -7.463 -2.837 981 2HG1 VAL 124 2HG1 VAL 124 -12.393 -6.179 -3.564 982 3HG1 VAL 124 3HG1 VAL 124 -12.770 -7.869 -3.907 983 1HG2 VAL 124 1HG2 VAL 124 -11.810 -6.676 -0.573 984 2HG2 VAL 124 2HG2 VAL 124 -13.446 -6.395 0.024 985 3HG2 VAL 124 3HG2 VAL 124 -12.747 -5.308 -1.176 986 H ASP 125 H ASP 125 -17.181 -7.322 -2.785 987 HA ASP 125 HA ASP 125 -18.093 -7.722 -0.114 988 1HB ASP 125 2HB ASP 125 -19.657 -7.119 -1.885 989 2HB ASP 125 1HB ASP 125 -19.268 -8.588 -2.773 990 H THR 126 H THR 126 -16.950 -9.769 -2.702 991 HA THR 126 HA THR 126 -16.300 -11.938 -2.828 992 HB THR 126 HB THR 126 -15.373 -11.514 0.015 993 HG1 THR 126 1HG THR 126 -13.798 -10.265 -0.759 994 1HG2 THR 126 1HG2 THR 126 -15.099 -13.797 -0.803 995 2HG2 THR 126 2HG2 THR 126 -13.528 -13.005 -0.678 996 3HG2 THR 126 3HG2 THR 126 -14.296 -13.199 -2.255 997 HA PRO 127 HA PRO 127 -19.960 -13.649 -0.537 998 1HB PRO 127 2HB PRO 127 -20.609 -14.810 -3.150 999 2HB PRO 127 1HB PRO 127 -21.603 -13.797 -2.100 1000 1HG PRO 127 2HG PRO 127 -20.597 -12.894 -4.438 1001 2HG PRO 127 1HG PRO 127 -20.827 -11.839 -3.030 1002 1HD PRO 127 2HD PRO 127 -18.319 -13.120 -4.054 1003 2HD PRO 127 1HD PRO 127 -18.570 -11.479 -3.420 1004 H ALA 128 H ALA 128 -18.838 -15.159 0.614 1005 HA ALA 128 HA ALA 128 -17.268 -17.212 -0.567 1006 1HB ALA 128 1HB ALA 128 -17.081 -18.106 1.681 1007 2HB ALA 128 2HB ALA 128 -18.395 -17.065 2.224 1008 3HB ALA 128 3HB ALA 128 -16.869 -16.352 1.702 1009 H ALA 129 H ALA 129 -17.882 -19.100 -1.396 1010 HA ALA 129 HA ALA 129 -20.516 -20.180 -0.660 1011 1HB ALA 129 1HB ALA 129 -20.802 -19.044 -2.781 1012 2HB ALA 129 2HB ALA 129 -20.915 -20.788 -3.012 1013 3HB ALA 129 3HB ALA 129 -19.442 -19.934 -3.468 1014 H GLN 130 H GLN 130 -20.689 -22.503 -1.652 1015 HA GLN 130 HA GLN 130 -18.227 -23.860 -0.773 1016 1HB GLN 130 2HB GLN 130 -20.472 -23.871 0.601 1017 2HB GLN 130 1HB GLN 130 -20.947 -25.097 -0.563 1018 1HG GLN 130 2HG GLN 130 -18.392 -25.324 0.975 1019 2HG GLN 130 1HG GLN 130 -19.928 -25.844 1.662 1020 1HE2 GLN 130 1HE2 GLN 130 -20.987 -26.744 -0.896 1021 2HE2 GLN 130 2HE2 GLN 130 -20.150 -28.218 -1.277 1022 H GLU 131 H GLU 131 -17.232 -24.976 -2.288 1023 HA GLU 131 HA GLU 131 -16.761 -26.267 -4.094 1024 1HB GLU 131 2HB GLU 131 -19.566 -27.186 -3.553 1025 2HB GLU 131 1HB GLU 131 -18.602 -27.856 -4.862 1026 1HG GLU 131 2HG GLU 131 -16.904 -28.551 -3.246 1027 2HG GLU 131 1HG GLU 131 -17.896 -27.899 -1.940 1028 H THR 132 H THR 132 -17.885 -23.573 -4.509 1029 HA THR 132 HA THR 132 -19.253 -23.872 -7.079 1030 HB THR 132 HB THR 132 -20.100 -22.232 -5.353 1031 HG1 THR 132 1HG THR 132 -19.434 -21.565 -8.002 1032 1HG2 THR 132 1HG2 THR 132 -17.636 -20.670 -6.147 1033 2HG2 THR 132 2HG2 THR 132 -17.908 -21.426 -4.577 1034 3HG2 THR 132 3HG2 THR 132 -18.944 -20.104 -5.110 1035 H VAL 133 H VAL 133 -16.295 -24.306 -6.353 1036 HA VAL 133 HA VAL 133 -14.250 -24.031 -7.257 1037 HB VAL 133 HB VAL 133 -15.612 -22.707 -9.613 1038 1HG1 VAL 133 1HG1 VAL 133 -12.996 -24.186 -9.418 1039 2HG1 VAL 133 2HG1 VAL 133 -13.185 -22.439 -9.534 1040 3HG1 VAL 133 3HG1 VAL 133 -13.681 -23.468 -10.875 1041 1HG2 VAL 133 1HG2 VAL 133 -15.068 -25.633 -9.137 1042 2HG2 VAL 133 2HG2 VAL 133 -15.624 -24.931 -10.655 1043 3HG2 VAL 133 3HG2 VAL 133 -16.651 -24.859 -9.224 1044 H GLN 134 H GLN 134 -14.598 -22.437 -5.347 1045 HA GLN 134 HA GLN 134 -14.096 -19.689 -6.231 1046 1HB GLN 134 2HB GLN 134 -15.905 -19.968 -4.613 1047 2HB GLN 134 1HB GLN 134 -14.813 -20.785 -3.505 1048 1HG GLN 134 2HG GLN 134 -13.685 -18.828 -2.975 1049 2HG GLN 134 1HG GLN 134 -14.271 -17.987 -4.413 1050 1HE2 GLN 134 1HE2 GLN 134 -16.285 -17.071 -4.411 1051 2HE2 GLN 134 2HE2 GLN 134 -17.241 -16.893 -2.973 Start of MODEL 8 1 1H MET 1 1HT MET 1 17.236 -3.192 16.365 2 2H MET 1 2HT MET 1 16.727 -4.092 15.023 3 3H MET 1 3HT MET 1 15.708 -3.928 16.367 4 HA MET 1 HA MET 1 16.612 -1.681 14.669 5 1HB MET 1 2HB MET 1 13.964 -3.148 14.689 6 2HB MET 1 1HB MET 1 14.279 -1.655 13.817 7 1HG MET 1 2HG MET 1 14.406 -3.392 12.238 8 2HG MET 1 1HG MET 1 16.062 -2.885 12.555 9 1HE MET 1 1HE MET 1 16.986 -5.091 11.427 10 2HE MET 1 2HE MET 1 15.336 -5.617 11.091 11 3HE MET 1 3HE MET 1 16.468 -6.720 11.871 12 H ALA 2 H ALA 2 15.376 0.265 15.071 13 HA ALA 2 HA ALA 2 14.042 0.343 17.698 14 1HB ALA 2 1HB ALA 2 15.051 2.504 18.150 15 2HB ALA 2 2HB ALA 2 15.910 2.450 16.614 16 3HB ALA 2 3HB ALA 2 16.311 1.295 17.886 17 H ASN 3 H ASN 3 12.048 1.137 17.566 18 HA ASN 3 HA ASN 3 11.057 2.081 15.041 19 1HB ASN 3 2HB ASN 3 9.694 0.645 16.518 20 2HB ASN 3 1HB ASN 3 9.658 1.935 17.717 21 1HD2 ASN 3 1HD2 ASN 3 8.472 0.829 14.663 22 2HD2 ASN 3 2HD2 ASN 3 7.222 2.007 14.489 23 H ASP 4 H ASP 4 11.196 4.083 14.358 24 HA ASP 4 HA ASP 4 10.368 6.246 16.095 25 1HB ASP 4 2HB ASP 4 12.850 6.162 16.387 26 2HB ASP 4 1HB ASP 4 13.027 6.404 14.651 27 H THR 5 H THR 5 12.149 6.118 13.043 28 HA THR 5 HA THR 5 11.598 6.513 10.889 29 HB THR 5 HB THR 5 8.743 6.020 11.741 30 HG1 THR 5 1HG THR 5 9.266 3.847 11.007 31 1HG2 THR 5 1HG2 THR 5 8.908 7.008 9.523 32 2HG2 THR 5 2HG2 THR 5 8.455 5.307 9.398 33 3HG2 THR 5 3HG2 THR 5 10.113 5.806 9.060 34 HA PRO 6 HA PRO 6 10.661 10.944 11.596 35 1HB PRO 6 2HB PRO 6 12.202 11.668 9.411 36 2HB PRO 6 1HB PRO 6 12.783 11.584 11.075 37 1HG PRO 6 2HG PRO 6 13.077 9.605 8.861 38 2HG PRO 6 1HG PRO 6 14.235 10.062 10.125 39 1HD PRO 6 2HD PRO 6 12.827 7.769 10.244 40 2HD PRO 6 1HD PRO 6 13.250 8.692 11.702 41 H PHE 7 H PHE 7 11.149 9.727 8.260 42 HA PHE 7 HA PHE 7 8.349 10.340 7.682 43 1HB PHE 7 2HB PHE 7 10.679 11.346 6.037 44 2HB PHE 7 1HB PHE 7 9.003 11.387 5.507 45 HD1 PHE 7 1HD PHE 7 7.356 12.759 6.830 46 HD2 PHE 7 2HD PHE 7 11.563 13.029 7.392 47 HE1 PHE 7 1HE PHE 7 7.068 14.945 7.923 48 HE2 PHE 7 2HE PHE 7 11.282 15.211 8.491 49 HZ PHE 7 HZ PHE 7 9.034 16.171 8.758 50 H SER 8 H SER 8 10.442 9.818 5.015 51 HA SER 8 HA SER 8 9.048 7.351 4.428 52 1HB SER 8 2HB SER 8 10.487 7.678 2.252 53 2HB SER 8 1HB SER 8 9.102 8.722 2.571 54 HG SER 8 HG SER 8 10.482 10.298 2.406 55 H ALA 9 H ALA 9 11.279 7.541 6.472 56 HA ALA 9 HA ALA 9 13.548 6.168 5.479 57 1HB ALA 9 1HB ALA 9 13.599 7.496 7.540 58 2HB ALA 9 2HB ALA 9 14.149 5.842 7.820 59 3HB ALA 9 3HB ALA 9 12.527 6.329 8.314 60 H LEU 10 H LEU 10 10.436 5.126 6.603 61 HA LEU 10 HA LEU 10 11.000 2.494 7.361 62 1HB LEU 10 2HB LEU 10 8.820 3.990 7.486 63 2HB LEU 10 1HB LEU 10 8.435 3.176 5.984 64 HG LEU 10 HG LEU 10 7.391 2.149 7.992 65 1HD1 LEU 10 1HD1 LEU 10 7.972 -0.172 7.461 66 2HD1 LEU 10 2HD1 LEU 10 9.356 0.397 6.525 67 3HD1 LEU 10 3HD1 LEU 10 7.718 0.797 6.008 68 1HD2 LEU 10 1HD2 LEU 10 8.795 0.839 9.512 69 2HD2 LEU 10 2HD2 LEU 10 9.159 2.561 9.594 70 3HD2 LEU 10 3HD2 LEU 10 10.234 1.474 8.717 71 H TRP 11 H TRP 11 10.091 3.847 4.207 72 HA TRP 11 HA TRP 11 9.912 1.464 2.762 73 1HB TRP 11 2HB TRP 11 9.066 3.465 1.775 74 2HB TRP 11 1HB TRP 11 10.619 4.275 1.913 75 HD1 TRP 11 HD TRP 11 11.329 4.716 -0.507 76 HE1 TRP 11 1HE TRP 11 11.614 3.292 -2.639 77 HE3 TRP 11 3HE TRP 11 9.382 0.300 1.197 78 HZ2 TRP 11 2HZ TRP 11 11.079 0.657 -3.473 79 HZ3 TRP 11 3HZ TRP 11 9.315 -1.622 -0.334 80 HH2 TRP 11 HH TRP 11 10.146 -1.448 -2.618 81 H GLN 12 H GLN 12 12.690 3.543 3.389 82 HA GLN 12 HA GLN 12 14.537 2.391 1.691 83 1HB GLN 12 2HB GLN 12 15.020 3.545 4.438 84 2HB GLN 12 1HB GLN 12 16.229 3.326 3.187 85 1HG GLN 12 2HG GLN 12 15.009 4.893 1.748 86 2HG GLN 12 1HG GLN 12 13.839 5.143 3.045 87 1HE2 GLN 12 1HE2 GLN 12 14.306 7.337 3.192 88 2HE2 GLN 12 2HE2 GLN 12 15.790 7.926 3.870 89 H ARG 13 H ARG 13 13.543 1.379 4.924 90 HA ARG 13 HA ARG 13 15.525 -0.680 5.114 91 1HB ARG 13 2HB ARG 13 13.162 0.119 6.768 92 2HB ARG 13 1HB ARG 13 13.911 -1.449 7.035 93 1HG ARG 13 2HG ARG 13 14.803 0.186 8.577 94 2HG ARG 13 1HG ARG 13 16.063 -0.342 7.462 95 1HD ARG 13 2HD ARG 13 15.477 1.713 6.079 96 2HD ARG 13 1HD ARG 13 14.547 2.255 7.474 97 HE ARG 13 HE ARG 13 16.685 2.171 8.735 98 1HH1 ARG 13 1HH1 ARG 13 16.767 2.346 5.254 99 2HH1 ARG 13 2HH1 ARG 13 18.299 3.151 5.184 100 1HH2 ARG 13 1HH2 ARG 13 18.706 3.274 8.666 101 2HH2 ARG 13 2HH2 ARG 13 19.396 3.699 7.125 102 H LEU 14 H LEU 14 12.154 -0.544 4.096 103 HA LEU 14 HA LEU 14 11.780 -3.355 3.919 104 1HB LEU 14 2HB LEU 14 10.374 -1.091 2.507 105 2HB LEU 14 1HB LEU 14 9.863 -2.765 2.429 106 HG LEU 14 HG LEU 14 9.912 -1.014 4.886 107 1HD1 LEU 14 1HD1 LEU 14 7.493 -1.270 4.808 108 2HD1 LEU 14 2HD1 LEU 14 7.631 -2.249 3.349 109 3HD1 LEU 14 3HD1 LEU 14 8.091 -0.548 3.314 110 1HD2 LEU 14 1HD2 LEU 14 9.110 -3.909 4.589 111 2HD2 LEU 14 2HD2 LEU 14 8.889 -2.923 6.035 112 3HD2 LEU 14 3HD2 LEU 14 10.515 -3.303 5.467 113 H LEU 15 H LEU 15 13.053 -0.935 1.733 114 HA LEU 15 HA LEU 15 13.158 -2.404 -0.635 115 1HB LEU 15 2HB LEU 15 14.306 0.007 0.409 116 2HB LEU 15 1HB LEU 15 15.550 -0.895 -0.434 117 HG LEU 15 HG LEU 15 12.906 -0.037 -1.610 118 1HD1 LEU 15 1HD1 LEU 15 14.278 1.476 -2.967 119 2HD1 LEU 15 2HD1 LEU 15 15.705 0.989 -2.050 120 3HD1 LEU 15 3HD1 LEU 15 14.386 1.844 -1.245 121 1HD2 LEU 15 1HD2 LEU 15 13.849 -0.813 -3.733 122 2HD2 LEU 15 2HD2 LEU 15 13.694 -2.133 -2.576 123 3HD2 LEU 15 3HD2 LEU 15 15.273 -1.411 -2.882 124 H THR 16 H THR 16 15.128 -2.572 2.241 125 HA THR 16 HA THR 16 17.104 -4.313 1.095 126 HB THR 16 HB THR 16 16.464 -3.763 4.000 127 HG1 THR 16 1HG THR 16 17.432 -2.135 2.251 128 1HG2 THR 16 1HG2 THR 16 17.689 -5.867 3.710 129 2HG2 THR 16 2HG2 THR 16 18.716 -4.634 4.447 130 3HG2 THR 16 3HG2 THR 16 18.903 -5.033 2.739 131 H ARG 17 H ARG 17 14.341 -4.755 3.303 132 HA ARG 17 HA ARG 17 13.833 -7.391 2.273 133 1HB ARG 17 2HB ARG 17 15.681 -7.775 3.909 134 2HB ARG 17 1HB ARG 17 14.652 -7.111 5.171 135 1HG ARG 17 2HG ARG 17 13.015 -8.914 4.723 136 2HG ARG 17 1HG ARG 17 14.147 -9.601 3.557 137 1HD ARG 17 2HD ARG 17 14.584 -9.236 6.515 138 2HD ARG 17 1HD ARG 17 14.357 -10.761 5.658 139 HE ARG 17 HE ARG 17 16.671 -9.033 5.057 140 1HH1 ARG 17 1HH1 ARG 17 15.368 -12.089 6.202 141 2HH1 ARG 17 2HH1 ARG 17 16.912 -12.894 6.173 142 1HH2 ARG 17 1HH2 ARG 17 18.678 -10.101 5.005 143 2HH2 ARG 17 2HH2 ARG 17 18.780 -11.780 5.448 144 H GLY 18 H GLY 18 11.699 -7.139 1.982 145 1HA GLY 18 2HA GLY 18 9.693 -7.449 3.620 146 2HA GLY 18 1HA GLY 18 10.113 -5.800 4.060 147 H TRP 19 H TRP 19 8.194 -7.677 2.121 148 HA TRP 19 HA TRP 19 6.718 -7.245 0.447 149 1HB TRP 19 2HB TRP 19 7.477 -4.383 1.044 150 2HB TRP 19 1HB TRP 19 6.272 -4.823 -0.161 151 HD1 TRP 19 HD TRP 19 5.890 -7.176 2.626 152 HE1 TRP 19 1HE TRP 19 3.967 -6.461 4.179 153 HE3 TRP 19 3HE TRP 19 5.219 -2.393 0.948 154 HZ2 TRP 19 2HZ TRP 19 2.380 -4.178 4.635 155 HZ3 TRP 19 3HZ TRP 19 3.478 -1.010 2.001 156 HH2 TRP 19 HH TRP 19 2.089 -1.884 3.804 157 H GLN 20 H GLN 20 6.695 -5.800 -1.789 158 HA GLN 20 HA GLN 20 9.348 -6.248 -2.974 159 1HB GLN 20 2HB GLN 20 7.836 -8.092 -3.554 160 2HB GLN 20 1HB GLN 20 6.669 -6.943 -4.190 161 1HG GLN 20 2HG GLN 20 8.198 -6.302 -5.945 162 2HG GLN 20 1HG GLN 20 9.451 -7.344 -5.271 163 1HE2 GLN 20 1HE2 GLN 20 9.621 -8.531 -7.164 164 2HE2 GLN 20 2HE2 GLN 20 8.409 -9.660 -7.650 165 HA PRO 21 HA PRO 21 8.711 -2.045 -4.379 166 1HB PRO 21 2HB PRO 21 10.960 -1.964 -5.936 167 2HB PRO 21 1HB PRO 21 10.962 -1.682 -4.192 168 1HG PRO 21 2HG PRO 21 11.695 -4.137 -5.720 169 2HG PRO 21 1HG PRO 21 12.444 -3.448 -4.268 170 1HD PRO 21 2HD PRO 21 10.757 -5.580 -4.197 171 2HD PRO 21 1HD PRO 21 10.903 -4.418 -2.865 172 H VAL 22 H VAL 22 7.004 -2.084 -5.752 173 HA VAL 22 HA VAL 22 7.119 -3.533 -8.243 174 HB VAL 22 HB VAL 22 4.896 -2.437 -8.699 175 1HG1 VAL 22 1HG1 VAL 22 5.180 -4.040 -6.160 176 2HG1 VAL 22 2HG1 VAL 22 5.076 -4.685 -7.799 177 3HG1 VAL 22 3HG1 VAL 22 3.695 -3.845 -7.092 178 1HG2 VAL 22 1HG2 VAL 22 5.206 -1.496 -5.847 179 2HG2 VAL 22 2HG2 VAL 22 3.748 -1.365 -6.831 180 3HG2 VAL 22 3HG2 VAL 22 5.196 -0.467 -7.279 181 H GLU 23 H GLU 23 6.868 -2.576 -10.301 182 HA GLU 23 HA GLU 23 8.005 0.126 -10.513 183 1HB GLU 23 2HB GLU 23 8.914 -2.289 -12.094 184 2HB GLU 23 1HB GLU 23 9.529 -0.653 -12.269 185 1HG GLU 23 2HG GLU 23 10.414 -0.742 -9.990 186 2HG GLU 23 1HG GLU 23 9.791 -2.384 -9.816 187 H ALA 24 H ALA 24 7.724 1.051 -12.699 188 HA ALA 24 HA ALA 24 5.035 0.598 -13.600 189 1HB ALA 24 1HB ALA 24 5.471 2.437 -15.154 190 2HB ALA 24 2HB ALA 24 7.182 2.392 -14.730 191 3HB ALA 24 3HB ALA 24 5.986 2.850 -13.518 192 H SER 25 H SER 25 8.209 -0.346 -14.576 193 HA SER 25 HA SER 25 7.766 -0.977 -17.261 194 1HB SER 25 2HB SER 25 9.645 -2.380 -15.347 195 2HB SER 25 1HB SER 25 9.791 -2.295 -17.102 196 HG SER 25 HG SER 25 10.828 -0.639 -15.376 197 H THR 26 H THR 26 6.865 -2.675 -14.354 198 HA THR 26 HA THR 26 5.808 -4.872 -15.991 199 HB THR 26 HB THR 26 7.958 -5.627 -15.085 200 HG1 THR 26 1HG THR 26 5.577 -6.780 -14.078 201 1HG2 THR 26 1HG2 THR 26 8.050 -4.163 -13.122 202 2HG2 THR 26 2HG2 THR 26 8.313 -5.850 -12.683 203 3HG2 THR 26 3HG2 THR 26 6.752 -5.091 -12.368 204 H VAL 27 H VAL 27 4.704 -2.483 -14.446 205 HA VAL 27 HA VAL 27 3.550 -3.395 -12.046 206 HB VAL 27 HB VAL 27 3.845 -1.023 -12.483 207 1HG1 VAL 27 1HG1 VAL 27 3.384 -0.902 -14.839 208 2HG1 VAL 27 2HG1 VAL 27 2.299 0.189 -13.975 209 3HG1 VAL 27 3HG1 VAL 27 1.702 -1.359 -14.570 210 1HG2 VAL 27 1HG2 VAL 27 1.693 -0.214 -11.665 211 2HG2 VAL 27 2HG2 VAL 27 2.174 -1.701 -10.846 212 3HG2 VAL 27 3HG2 VAL 27 0.944 -1.748 -12.109 213 H ASP 28 H ASP 28 2.259 -3.289 -15.352 214 HA ASP 28 HA ASP 28 -0.339 -4.145 -14.495 215 1HB ASP 28 2HB ASP 28 -0.872 -4.297 -16.898 216 2HB ASP 28 1HB ASP 28 -0.169 -2.743 -16.469 217 H ASP 29 H ASP 29 2.506 -5.707 -15.871 218 HA ASP 29 HA ASP 29 1.378 -8.245 -16.319 219 1HB ASP 29 2HB ASP 29 3.571 -7.766 -17.209 220 2HB ASP 29 1HB ASP 29 4.211 -7.449 -15.601 221 H TRP 30 H TRP 30 3.008 -6.884 -13.487 222 HA TRP 30 HA TRP 30 3.030 -9.126 -11.854 223 1HB TRP 30 2HB TRP 30 4.154 -6.910 -11.429 224 2HB TRP 30 1HB TRP 30 2.590 -6.284 -10.925 225 HD1 TRP 30 HD TRP 30 5.259 -8.840 -9.843 226 HE1 TRP 30 1HE TRP 30 5.026 -9.235 -7.307 227 HE3 TRP 30 3HE TRP 30 1.019 -6.116 -8.977 228 HZ2 TRP 30 2HZ TRP 30 3.282 -8.494 -5.227 229 HZ3 TRP 30 3HZ TRP 30 0.141 -6.008 -6.684 230 HH2 TRP 30 HH TRP 30 1.248 -7.171 -4.851 231 H ILE 31 H ILE 31 0.511 -6.699 -12.323 232 HA ILE 31 HA ILE 31 -1.243 -7.682 -10.339 233 HB ILE 31 HB ILE 31 -1.761 -5.952 -12.755 234 1HG1 ILE 31 2HG1 ILE 31 -0.325 -4.941 -11.079 235 2HG1 ILE 31 1HG1 ILE 31 -1.911 -4.174 -11.028 236 1HG2 ILE 31 1HG2 ILE 31 -3.822 -7.121 -12.142 237 2HG2 ILE 31 2HG2 ILE 31 -3.922 -5.405 -11.743 238 3HG2 ILE 31 3HG2 ILE 31 -3.628 -6.590 -10.470 239 1HD1 ILE 31 1HD1 ILE 31 -1.059 -4.560 -8.798 240 2HD1 ILE 31 2HD1 ILE 31 -0.899 -6.284 -9.137 241 3HD1 ILE 31 3HD1 ILE 31 -2.497 -5.538 -9.089 242 H LYS 32 H LYS 32 -1.338 -8.079 -13.905 243 HA LYS 32 HA LYS 32 -3.609 -9.769 -13.792 244 1HB LYS 32 2HB LYS 32 -3.178 -10.227 -16.159 245 2HB LYS 32 1HB LYS 32 -3.150 -8.514 -15.785 246 1HG LYS 32 2HG LYS 32 -1.384 -8.712 -17.172 247 2HG LYS 32 1HG LYS 32 -0.585 -8.876 -15.626 248 1HD LYS 32 2HD LYS 32 -0.498 -11.233 -15.892 249 2HD LYS 32 1HD LYS 32 -1.483 -11.174 -17.347 250 1HE LYS 32 2HE LYS 32 0.267 -9.986 -18.514 251 2HE LYS 32 1HE LYS 32 1.239 -9.908 -17.044 252 1HZ LYS 32 1HZ LYS 32 1.486 -12.277 -17.077 253 2HZ LYS 32 2HZ LYS 32 1.942 -11.677 -18.590 254 3HZ LYS 32 3HZ LYS 32 0.436 -12.430 -18.396 255 H ARG 33 H ARG 33 -0.307 -10.316 -13.286 256 HA ARG 33 HA ARG 33 -0.118 -13.053 -14.015 257 1HB ARG 33 2HB ARG 33 1.675 -11.189 -13.484 258 2HB ARG 33 1HB ARG 33 1.548 -11.827 -11.858 259 1HG ARG 33 2HG ARG 33 2.364 -13.938 -12.509 260 2HG ARG 33 1HG ARG 33 2.177 -13.558 -14.229 261 1HD ARG 33 2HD ARG 33 3.864 -11.826 -14.049 262 2HD ARG 33 1HD ARG 33 4.023 -12.128 -12.321 263 HE ARG 33 HE ARG 33 4.686 -14.503 -13.227 264 1HH1 ARG 33 1HH1 ARG 33 5.467 -11.410 -14.681 265 2HH1 ARG 33 2HH1 ARG 33 7.081 -11.895 -15.141 266 1HH2 ARG 33 1HH2 ARG 33 6.781 -15.153 -13.866 267 2HH2 ARG 33 2HH2 ARG 33 7.831 -14.021 -14.668 268 H VAL 34 H VAL 34 -0.703 -11.371 -10.957 269 HA VAL 34 HA VAL 34 -1.169 -13.933 -9.631 270 HB VAL 34 HB VAL 34 -1.320 -12.550 -7.538 271 1HG1 VAL 34 1HG1 VAL 34 1.222 -12.330 -9.153 272 2HG1 VAL 34 2HG1 VAL 34 0.730 -13.712 -8.173 273 3HG1 VAL 34 3HG1 VAL 34 1.099 -12.168 -7.401 274 1HG2 VAL 34 1HG2 VAL 34 -0.403 -10.266 -7.634 275 2HG2 VAL 34 2HG2 VAL 34 -1.926 -10.416 -8.509 276 3HG2 VAL 34 3HG2 VAL 34 -0.404 -10.358 -9.396 277 H GLY 35 H GLY 35 -2.881 -11.033 -10.613 278 1HA GLY 35 2HA GLY 35 -5.207 -11.164 -11.186 279 2HA GLY 35 1HA GLY 35 -5.413 -12.397 -9.949 280 H ASP 36 H ASP 36 -4.396 -11.393 -7.739 281 HA ASP 36 HA ASP 36 -5.737 -8.807 -7.350 282 1HB ASP 36 2HB ASP 36 -6.081 -9.587 -4.963 283 2HB ASP 36 1HB ASP 36 -7.052 -10.405 -6.180 284 H GLY 37 H GLY 37 -4.789 -7.396 -5.773 285 1HA GLY 37 2HA GLY 37 -2.585 -7.806 -4.215 286 2HA GLY 37 1HA GLY 37 -1.922 -7.490 -5.811 287 H VAL 38 H VAL 38 -0.963 -5.615 -4.644 288 HA VAL 38 HA VAL 38 -2.612 -3.293 -5.023 289 HB VAL 38 HB VAL 38 -3.393 -3.704 -2.852 290 1HG1 VAL 38 1HG1 VAL 38 -0.544 -4.213 -2.013 291 2HG1 VAL 38 2HG1 VAL 38 -1.818 -5.420 -2.180 292 3HG1 VAL 38 3HG1 VAL 38 -1.934 -4.184 -0.927 293 1HG2 VAL 38 1HG2 VAL 38 -1.101 -1.780 -2.542 294 2HG2 VAL 38 2HG2 VAL 38 -2.529 -1.874 -1.510 295 3HG2 VAL 38 3HG2 VAL 38 -2.692 -1.394 -3.200 296 H ILE 39 H ILE 39 -1.471 -1.548 -5.484 297 HA ILE 39 HA ILE 39 1.449 -1.625 -5.092 298 HB ILE 39 HB ILE 39 -0.169 -0.356 -7.298 299 1HG1 ILE 39 2HG1 ILE 39 1.677 -1.426 -8.694 300 2HG1 ILE 39 1HG1 ILE 39 2.204 -2.235 -7.226 301 1HG2 ILE 39 1HG2 ILE 39 2.685 0.316 -6.591 302 2HG2 ILE 39 2HG2 ILE 39 1.294 1.392 -6.455 303 3HG2 ILE 39 3HG2 ILE 39 1.829 0.840 -8.043 304 1HD1 ILE 39 1HD1 ILE 39 -0.480 -2.518 -8.546 305 2HD1 ILE 39 2HD1 ILE 39 0.019 -3.313 -7.050 306 3HD1 ILE 39 3HD1 ILE 39 0.837 -3.691 -8.567 307 H LEU 40 H LEU 40 2.128 -0.314 -3.548 308 HA LEU 40 HA LEU 40 0.489 1.955 -2.709 309 1HB LEU 40 2HB LEU 40 1.576 0.193 -1.151 310 2HB LEU 40 1HB LEU 40 3.074 1.039 -1.464 311 HG LEU 40 HG LEU 40 0.638 2.328 -0.235 312 1HD1 LEU 40 1HD1 LEU 40 1.848 2.161 1.876 313 2HD1 LEU 40 2HD1 LEU 40 3.125 1.244 1.076 314 3HD1 LEU 40 3HD1 LEU 40 1.500 0.568 1.205 315 1HD2 LEU 40 1HD2 LEU 40 2.186 4.093 0.406 316 2HD2 LEU 40 2HD2 LEU 40 2.166 3.896 -1.346 317 3HD2 LEU 40 3HD2 LEU 40 3.507 3.251 -0.399 318 H LEU 41 H LEU 41 0.859 3.832 -3.714 319 HA LEU 41 HA LEU 41 3.390 4.356 -5.012 320 1HB LEU 41 2HB LEU 41 0.819 5.908 -4.788 321 2HB LEU 41 1HB LEU 41 2.255 6.606 -5.506 322 HG LEU 41 HG LEU 41 2.228 4.661 -7.143 323 1HD1 LEU 41 1HD1 LEU 41 -0.573 4.351 -6.075 324 2HD1 LEU 41 2HD1 LEU 41 0.740 3.195 -5.867 325 3HD1 LEU 41 3HD1 LEU 41 0.107 3.528 -7.478 326 1HD2 LEU 41 1HD2 LEU 41 0.553 5.715 -8.560 327 2HD2 LEU 41 2HD2 LEU 41 1.535 6.927 -7.739 328 3HD2 LEU 41 3HD2 LEU 41 -0.097 6.580 -7.168 329 H SER 42 H SER 42 5.052 5.458 -4.149 330 HA SER 42 HA SER 42 4.770 6.333 -1.400 331 1HB SER 42 2HB SER 42 7.189 6.101 -3.202 332 2HB SER 42 1HB SER 42 7.254 6.616 -1.514 333 HG SER 42 HG SER 42 7.008 4.101 -2.561 334 H SER 43 H SER 43 6.612 7.862 -4.032 335 HA SER 43 HA SER 43 6.701 9.966 -4.851 336 1HB SER 43 2HB SER 43 4.130 10.438 -3.330 337 2HB SER 43 1HB SER 43 4.810 11.501 -4.561 338 HG SER 43 HG SER 43 3.189 10.086 -5.384 339 H ASP 44 H ASP 44 5.972 9.738 -1.415 340 HA ASP 44 HA ASP 44 6.875 10.709 0.420 341 1HB ASP 44 2HB ASP 44 9.090 10.396 -0.630 342 2HB ASP 44 1HB ASP 44 8.911 11.942 -1.453 343 HA PRO 45 HA PRO 45 4.255 14.300 -0.045 344 1HB PRO 45 2HB PRO 45 4.545 14.373 2.894 345 2HB PRO 45 1HB PRO 45 3.080 14.287 1.908 346 1HG PRO 45 2HG PRO 45 3.956 12.168 3.294 347 2HG PRO 45 1HG PRO 45 3.195 11.988 1.702 348 1HD PRO 45 2HD PRO 45 6.092 11.875 2.442 349 2HD PRO 45 1HD PRO 45 5.184 10.891 1.273 350 H ARG 46 H ARG 46 7.198 14.105 1.828 351 HA ARG 46 HA ARG 46 8.876 15.547 2.294 352 1HB ARG 46 2HB ARG 46 8.476 16.152 -0.192 353 2HB ARG 46 1HB ARG 46 7.697 17.597 0.438 354 1HG ARG 46 2HG ARG 46 9.774 18.154 1.647 355 2HG ARG 46 1HG ARG 46 10.546 16.750 0.909 356 1HD ARG 46 2HD ARG 46 11.202 18.485 -0.484 357 2HD ARG 46 1HD ARG 46 9.808 17.810 -1.327 358 HE ARG 46 HE ARG 46 8.765 19.799 0.240 359 1HH1 ARG 46 1HH1 ARG 46 11.192 19.598 -2.279 360 2HH1 ARG 46 2HH1 ARG 46 11.048 21.271 -2.729 361 1HH2 ARG 46 1HH2 ARG 46 8.544 21.996 -0.379 362 2HH2 ARG 46 2HH2 ARG 46 9.512 22.628 -1.677 363 H ARG 47 H ARG 47 6.034 17.627 1.744 364 HA ARG 47 HA ARG 47 6.592 19.279 4.016 365 1HB ARG 47 2HB ARG 47 5.425 20.230 2.126 366 2HB ARG 47 1HB ARG 47 4.159 19.013 2.239 367 1HG ARG 47 2HG ARG 47 3.340 21.083 3.122 368 2HG ARG 47 1HG ARG 47 3.530 19.937 4.449 369 1HD ARG 47 2HD ARG 47 5.866 21.027 4.719 370 2HD ARG 47 1HD ARG 47 5.173 22.343 3.774 371 HE ARG 47 HE ARG 47 4.261 21.459 6.424 372 1HH1 ARG 47 1HH1 ARG 47 4.280 23.832 3.845 373 2HH1 ARG 47 2HH1 ARG 47 3.485 25.053 4.801 374 1HH2 ARG 47 1HH2 ARG 47 3.245 23.041 7.677 375 2HH2 ARG 47 2HH2 ARG 47 2.884 24.594 6.981 376 H THR 48 H THR 48 5.708 19.225 6.034 377 HA THR 48 HA THR 48 4.141 16.843 6.735 378 HB THR 48 HB THR 48 5.339 18.766 8.711 379 HG1 THR 48 1HG THR 48 6.638 16.952 7.021 380 1HG2 THR 48 1HG2 THR 48 3.836 17.025 9.555 381 2HG2 THR 48 2HG2 THR 48 5.491 16.741 10.094 382 3HG2 THR 48 3HG2 THR 48 4.823 15.791 8.769 383 HA PRO 49 HA PRO 49 0.884 19.979 7.228 384 1HB PRO 49 2HB PRO 49 -1.093 18.614 6.063 385 2HB PRO 49 1HB PRO 49 0.184 19.365 5.100 386 1HG PRO 49 2HG PRO 49 -0.263 16.509 5.743 387 2HG PRO 49 1HG PRO 49 0.517 17.235 4.330 388 1HD PRO 49 2HD PRO 49 1.772 16.139 6.655 389 2HD PRO 49 1HD PRO 49 2.553 16.941 5.277 390 H GLU 50 H GLU 50 -1.344 19.809 8.247 391 HA GLU 50 HA GLU 50 -1.296 18.317 10.647 392 1HB GLU 50 2HB GLU 50 -2.597 20.432 10.299 393 2HB GLU 50 1HB GLU 50 -3.711 19.529 9.282 394 1HG GLU 50 2HG GLU 50 -4.558 19.848 11.559 395 2HG GLU 50 1HG GLU 50 -4.356 18.144 11.155 396 H VAL 51 H VAL 51 -2.148 16.346 11.154 397 HA VAL 51 HA VAL 51 -2.552 14.151 10.753 398 HB VAL 51 HB VAL 51 -4.344 15.099 8.502 399 1HG1 VAL 51 1HG1 VAL 51 -4.364 12.540 10.102 400 2HG1 VAL 51 2HG1 VAL 51 -3.828 12.709 8.432 401 3HG1 VAL 51 3HG1 VAL 51 -5.521 12.985 8.846 402 1HG2 VAL 51 1HG2 VAL 51 -5.019 14.614 11.404 403 2HG2 VAL 51 2HG2 VAL 51 -6.169 15.006 10.125 404 3HG2 VAL 51 3HG2 VAL 51 -4.948 16.185 10.604 405 H SER 52 H SER 52 -0.322 14.112 10.134 406 HA SER 52 HA SER 52 0.477 14.482 7.428 407 1HB SER 52 2HB SER 52 2.004 13.155 9.677 408 2HB SER 52 1HB SER 52 2.678 13.860 8.205 409 HG SER 52 HG SER 52 1.288 15.785 9.214 410 H ASP 53 H ASP 53 0.740 13.052 5.838 411 HA ASP 53 HA ASP 53 -0.370 10.439 6.036 412 1HB ASP 53 2HB ASP 53 -0.544 11.637 3.945 413 2HB ASP 53 1HB ASP 53 1.206 11.805 3.845 414 H ASN 54 H ASN 54 0.654 8.454 5.933 415 HA ASN 54 HA ASN 54 3.492 8.173 5.804 416 1HB ASN 54 2HB ASN 54 3.111 9.007 8.169 417 2HB ASN 54 1HB ASN 54 2.214 7.522 8.468 418 1HD2 ASN 54 1HD2 ASN 54 4.680 8.561 9.661 419 2HD2 ASN 54 2HD2 ASN 54 5.863 7.323 9.447 420 HA PRO 55 HA PRO 55 1.502 4.486 4.263 421 1HB PRO 55 2HB PRO 55 3.683 3.403 3.093 422 2HB PRO 55 1HB PRO 55 2.832 4.794 2.411 423 1HG PRO 55 2HG PRO 55 5.329 4.728 4.064 424 2HG PRO 55 1HG PRO 55 4.988 5.662 2.595 425 1HD PRO 55 2HD PRO 55 4.833 6.734 5.078 426 2HD PRO 55 1HD PRO 55 3.793 7.264 3.741 427 H VAL 56 H VAL 56 2.282 4.463 7.048 428 HA VAL 56 HA VAL 56 3.449 1.791 7.358 429 HB VAL 56 HB VAL 56 3.163 2.296 9.841 430 1HG1 VAL 56 1HG1 VAL 56 5.325 2.405 8.738 431 2HG1 VAL 56 2HG1 VAL 56 5.177 3.712 9.912 432 3HG1 VAL 56 3HG1 VAL 56 4.983 4.046 8.191 433 1HG2 VAL 56 1HG2 VAL 56 1.546 4.069 9.725 434 2HG2 VAL 56 2HG2 VAL 56 2.630 5.046 8.736 435 3HG2 VAL 56 3HG2 VAL 56 3.038 4.707 10.417 436 H MET 57 H MET 57 0.495 3.546 7.631 437 HA MET 57 HA MET 57 -1.057 1.823 9.174 438 1HB MET 57 2HB MET 57 -1.987 3.529 6.857 439 2HB MET 57 1HB MET 57 -2.991 2.906 8.159 440 1HG MET 57 2HG MET 57 -1.785 4.272 9.767 441 2HG MET 57 1HG MET 57 -0.730 4.869 8.487 442 1HE MET 57 1HE MET 57 -1.196 7.404 8.936 443 2HE MET 57 2HE MET 57 -2.114 6.895 10.353 444 3HE MET 57 3HE MET 57 -2.807 8.059 9.225 445 H ILE 58 H ILE 58 -0.197 1.674 5.783 446 HA ILE 58 HA ILE 58 -2.191 -0.103 4.919 447 HB ILE 58 HB ILE 58 0.594 0.337 3.825 448 1HG1 ILE 58 2HG1 ILE 58 -0.903 1.422 1.965 449 2HG1 ILE 58 1HG1 ILE 58 -2.105 1.511 3.245 450 1HG2 ILE 58 1HG2 ILE 58 -0.202 -0.759 1.773 451 2HG2 ILE 58 2HG2 ILE 58 -1.706 -1.174 2.591 452 3HG2 ILE 58 3HG2 ILE 58 -0.181 -1.862 3.150 453 1HD1 ILE 58 1HD1 ILE 58 0.649 2.710 3.407 454 2HD1 ILE 58 2HD1 ILE 58 -0.667 2.902 4.569 455 3HD1 ILE 58 3HD1 ILE 58 -0.812 3.586 2.950 456 H ALA 59 H ALA 59 0.904 -0.642 6.488 457 HA ALA 59 HA ALA 59 1.180 -3.385 5.926 458 1HB ALA 59 1HB ALA 59 2.193 -1.915 8.358 459 2HB ALA 59 2HB ALA 59 2.996 -1.946 6.789 460 3HB ALA 59 3HB ALA 59 2.802 -3.438 7.712 461 H GLU 60 H GLU 60 -0.493 -1.676 8.517 462 HA GLU 60 HA GLU 60 -1.116 -4.045 10.002 463 1HB GLU 60 2HB GLU 60 -0.961 -1.580 10.821 464 2HB GLU 60 1HB GLU 60 -2.616 -1.456 10.245 465 1HG GLU 60 2HG GLU 60 -2.597 -1.923 12.605 466 2HG GLU 60 1HG GLU 60 -3.254 -3.304 11.727 467 H LEU 61 H LEU 61 -2.596 -2.192 7.464 468 HA LEU 61 HA LEU 61 -5.253 -2.974 7.588 469 1HB LEU 61 2HB LEU 61 -3.489 -1.772 5.672 470 2HB LEU 61 1HB LEU 61 -4.519 -2.933 4.862 471 HG LEU 61 HG LEU 61 -5.514 -0.726 4.753 472 1HD1 LEU 61 1HD1 LEU 61 -7.691 -1.190 5.742 473 2HD1 LEU 61 2HD1 LEU 61 -6.983 -2.489 6.703 474 3HD1 LEU 61 3HD1 LEU 61 -7.029 -2.616 4.944 475 1HD2 LEU 61 1HD2 LEU 61 -4.461 0.282 6.685 476 2HD2 LEU 61 2HD2 LEU 61 -5.377 -0.769 7.764 477 3HD2 LEU 61 3HD2 LEU 61 -6.215 0.449 6.802 478 H LEU 62 H LEU 62 -2.489 -4.661 6.229 479 HA LEU 62 HA LEU 62 -3.572 -6.704 4.788 480 1HB LEU 62 2HB LEU 62 -1.210 -6.582 6.603 481 2HB LEU 62 1HB LEU 62 -1.679 -8.128 5.933 482 HG LEU 62 HG LEU 62 -1.410 -7.193 3.652 483 1HD1 LEU 62 1HD1 LEU 62 -1.802 -4.853 4.095 484 2HD1 LEU 62 2HD1 LEU 62 -0.198 -5.068 3.395 485 3HD1 LEU 62 3HD1 LEU 62 -0.374 -4.781 5.126 486 1HD2 LEU 62 1HD2 LEU 62 0.978 -6.963 5.472 487 2HD2 LEU 62 2HD2 LEU 62 1.040 -7.120 3.715 488 3HD2 LEU 62 3HD2 LEU 62 0.386 -8.432 4.697 489 H ARG 63 H ARG 63 -3.427 -6.496 8.308 490 HA ARG 63 HA ARG 63 -4.331 -9.224 8.624 491 1HB ARG 63 2HB ARG 63 -3.951 -7.099 10.737 492 2HB ARG 63 1HB ARG 63 -4.100 -8.830 11.002 493 1HG ARG 63 2HG ARG 63 -1.994 -9.183 9.795 494 2HG ARG 63 1HG ARG 63 -1.840 -7.438 9.580 495 1HD ARG 63 2HD ARG 63 -0.485 -8.151 11.447 496 2HD ARG 63 1HD ARG 63 -1.828 -7.167 12.030 497 HE ARG 63 HE ARG 63 -2.916 -9.231 12.742 498 1HH1 ARG 63 1HH1 ARG 63 0.502 -9.345 12.018 499 2HH1 ARG 63 2HH1 ARG 63 0.805 -10.776 12.958 500 1HH2 ARG 63 1HH2 ARG 63 -2.543 -11.123 13.989 501 2HH2 ARG 63 2HH2 ARG 63 -0.947 -11.806 14.067 502 H GLU 64 H GLU 64 -5.707 -6.050 8.566 503 HA GLU 64 HA GLU 64 -8.127 -6.926 9.922 504 1HB GLU 64 2HB GLU 64 -7.288 -4.207 8.914 505 2HB GLU 64 1HB GLU 64 -8.747 -4.544 9.827 506 1HG GLU 64 2HG GLU 64 -5.931 -4.930 10.814 507 2HG GLU 64 1HG GLU 64 -6.993 -3.587 11.226 508 H PHE 65 H PHE 65 -7.029 -7.159 6.854 509 HA PHE 65 HA PHE 65 -9.554 -6.404 5.591 510 1HB PHE 65 2HB PHE 65 -6.935 -6.292 4.674 511 2HB PHE 65 1HB PHE 65 -7.597 -7.697 3.852 512 HD1 PHE 65 1HD PHE 65 -8.096 -4.086 4.453 513 HD2 PHE 65 2HD PHE 65 -9.093 -7.453 2.047 514 HE1 PHE 65 1HE PHE 65 -9.215 -2.598 2.847 515 HE2 PHE 65 2HE PHE 65 -10.210 -5.967 0.430 516 HZ PHE 65 HZ PHE 65 -10.274 -3.537 0.831 517 HA PRO 66 HA PRO 66 -10.569 -10.760 6.080 518 1HB PRO 66 2HB PRO 66 -13.297 -10.203 6.158 519 2HB PRO 66 1HB PRO 66 -12.222 -10.280 7.552 520 1HG PRO 66 2HG PRO 66 -13.550 -7.990 6.519 521 2HG PRO 66 1HG PRO 66 -12.375 -8.050 7.841 522 1HD PRO 66 2HD PRO 66 -11.989 -7.299 5.001 523 2HD PRO 66 1HD PRO 66 -11.079 -6.795 6.441 524 H GLN 67 H GLN 67 -10.487 -9.055 3.449 525 HA GLN 67 HA GLN 67 -12.579 -10.443 1.948 526 1HB GLN 67 2HB GLN 67 -10.984 -7.961 1.475 527 2HB GLN 67 1HB GLN 67 -11.709 -8.801 0.112 528 1HG GLN 67 2HG GLN 67 -13.210 -7.772 2.510 529 2HG GLN 67 1HG GLN 67 -13.093 -6.959 0.949 530 1HE2 GLN 67 1HE2 GLN 67 -15.478 -7.825 2.262 531 2HE2 GLN 67 2HE2 GLN 67 -16.235 -8.980 1.223 532 H PHE 68 H PHE 68 -9.040 -9.920 1.894 533 HA PHE 68 HA PHE 68 -8.887 -12.024 -0.154 534 1HB PHE 68 2HB PHE 68 -7.301 -9.453 -0.248 535 2HB PHE 68 1HB PHE 68 -7.280 -10.749 -1.439 536 HD1 PHE 68 1HD PHE 68 -8.768 -7.680 -0.437 537 HD2 PHE 68 2HD PHE 68 -9.449 -11.234 -2.692 538 HE1 PHE 68 1HE PHE 68 -10.578 -6.555 -1.673 539 HE2 PHE 68 2HE PHE 68 -11.256 -10.111 -3.923 540 HZ PHE 68 HZ PHE 68 -11.821 -7.768 -3.411 541 H ASP 69 H ASP 69 -6.767 -12.918 -0.458 542 HA ASP 69 HA ASP 69 -4.918 -12.594 1.824 543 1HB ASP 69 2HB ASP 69 -5.417 -14.959 -0.009 544 2HB ASP 69 1HB ASP 69 -4.018 -14.852 1.051 545 H TRP 70 H TRP 70 -5.166 -10.831 -0.313 546 HA TRP 70 HA TRP 70 -3.768 -11.419 -2.639 547 1HB TRP 70 2HB TRP 70 -3.767 -8.943 -3.001 548 2HB TRP 70 1HB TRP 70 -5.340 -9.644 -2.659 549 HD1 TRP 70 HD TRP 70 -3.488 -9.268 0.538 550 HE1 TRP 70 1HE TRP 70 -4.289 -7.173 1.798 551 HE3 TRP 70 3HE TRP 70 -6.114 -7.008 -3.225 552 HZ2 TRP 70 2HZ TRP 70 -5.819 -4.867 1.267 553 HZ3 TRP 70 3HZ TRP 70 -7.213 -4.858 -2.764 554 HH2 TRP 70 HH TRP 70 -7.069 -3.809 -0.564 555 H GLN 71 H GLN 71 -1.935 -10.172 -3.494 556 HA GLN 71 HA GLN 71 0.319 -10.430 -1.663 557 1HB GLN 71 2HB GLN 71 0.229 -10.046 -4.669 558 2HB GLN 71 1HB GLN 71 1.701 -10.220 -3.725 559 1HG GLN 71 2HG GLN 71 1.248 -12.322 -4.715 560 2HG GLN 71 1HG GLN 71 0.879 -12.466 -3.001 561 1HE2 GLN 71 1HE2 GLN 71 -1.187 -10.904 -5.379 562 2HE2 GLN 71 2HE2 GLN 71 -2.484 -12.043 -5.268 563 H VAL 72 H VAL 72 1.077 -8.701 -0.664 564 HA VAL 72 HA VAL 72 0.258 -6.063 -1.602 565 HB VAL 72 HB VAL 72 1.003 -5.259 0.619 566 1HG1 VAL 72 1HG1 VAL 72 -0.926 -7.580 0.660 567 2HG1 VAL 72 2HG1 VAL 72 -1.312 -5.902 0.276 568 3HG1 VAL 72 3HG1 VAL 72 -0.799 -6.340 1.907 569 1HG2 VAL 72 1HG2 VAL 72 2.744 -6.912 1.069 570 2HG2 VAL 72 2HG2 VAL 72 1.527 -8.185 1.173 571 3HG2 VAL 72 3HG2 VAL 72 1.554 -6.890 2.369 572 H ALA 73 H ALA 73 1.628 -4.551 -2.333 573 HA ALA 73 HA ALA 73 4.497 -4.878 -1.929 574 1HB ALA 73 1HB ALA 73 4.986 -4.590 -4.305 575 2HB ALA 73 2HB ALA 73 3.260 -4.586 -4.669 576 3HB ALA 73 3HB ALA 73 4.024 -6.044 -4.032 577 H VAL 74 H VAL 74 5.634 -2.889 -2.993 578 HA VAL 74 HA VAL 74 4.007 -0.476 -2.845 579 HB VAL 74 HB VAL 74 4.584 -0.617 -0.554 580 1HG1 VAL 74 1HG1 VAL 74 6.235 -2.372 -0.677 581 2HG1 VAL 74 2HG1 VAL 74 6.876 -1.012 0.246 582 3HG1 VAL 74 3HG1 VAL 74 7.394 -1.272 -1.419 583 1HG2 VAL 74 1HG2 VAL 74 4.968 1.608 -1.480 584 2HG2 VAL 74 2HG2 VAL 74 6.640 1.180 -1.845 585 3HG2 VAL 74 3HG2 VAL 74 6.100 1.268 -0.169 586 H ALA 75 H ALA 75 4.907 1.283 -3.938 587 HA ALA 75 HA ALA 75 6.977 0.533 -5.850 588 1HB ALA 75 1HB ALA 75 4.872 1.505 -6.668 589 2HB ALA 75 2HB ALA 75 6.269 2.489 -7.098 590 3HB ALA 75 3HB ALA 75 5.219 2.982 -5.770 591 H ASP 76 H ASP 76 8.780 1.874 -6.286 592 HA ASP 76 HA ASP 76 10.023 2.921 -3.958 593 1HB ASP 76 2HB ASP 76 11.300 1.867 -5.772 594 2HB ASP 76 1HB ASP 76 10.843 3.174 -6.859 595 H LEU 77 H LEU 77 11.014 5.139 -3.905 596 HA LEU 77 HA LEU 77 8.974 7.015 -3.681 597 1HB LEU 77 2HB LEU 77 11.291 6.945 -2.589 598 2HB LEU 77 1HB LEU 77 11.876 7.732 -4.038 599 HG LEU 77 HG LEU 77 9.680 8.924 -2.358 600 1HD1 LEU 77 1HD1 LEU 77 11.635 8.569 -0.934 601 2HD1 LEU 77 2HD1 LEU 77 11.388 10.281 -1.268 602 3HD1 LEU 77 3HD1 LEU 77 12.649 9.393 -2.120 603 1HD2 LEU 77 1HD2 LEU 77 10.408 11.006 -3.402 604 2HD2 LEU 77 2HD2 LEU 77 9.935 9.820 -4.619 605 3HD2 LEU 77 3HD2 LEU 77 11.643 10.129 -4.306 606 H GLU 78 H GLU 78 11.636 7.078 -6.081 607 HA GLU 78 HA GLU 78 10.399 9.123 -7.616 608 1HB GLU 78 2HB GLU 78 12.815 8.802 -7.631 609 2HB GLU 78 1HB GLU 78 12.609 7.213 -8.349 610 1HG GLU 78 2HG GLU 78 11.730 8.182 -10.364 611 2HG GLU 78 1HG GLU 78 11.774 9.791 -9.648 612 H GLN 79 H GLN 79 10.479 5.608 -7.868 613 HA GLN 79 HA GLN 79 9.387 5.405 -10.446 614 1HB GLN 79 2HB GLN 79 9.399 3.495 -8.123 615 2HB GLN 79 1HB GLN 79 8.689 3.083 -9.680 616 1HG GLN 79 2HG GLN 79 10.878 3.575 -10.741 617 2HG GLN 79 1HG GLN 79 11.558 3.807 -9.131 618 1HE2 GLN 79 1HE2 GLN 79 12.145 1.838 -11.258 619 2HE2 GLN 79 2HE2 GLN 79 11.967 0.286 -10.508 620 H SER 80 H SER 80 7.888 6.026 -7.378 621 HA SER 80 HA SER 80 5.239 5.453 -7.877 622 1HB SER 80 2HB SER 80 6.230 6.339 -5.748 623 2HB SER 80 1HB SER 80 6.271 7.937 -6.491 624 HG SER 80 HG SER 80 4.296 8.122 -5.843 625 H GLU 81 H GLU 81 7.139 8.254 -8.945 626 HA GLU 81 HA GLU 81 5.015 9.720 -10.086 627 1HB GLU 81 2HB GLU 81 7.142 10.780 -9.643 628 2HB GLU 81 1HB GLU 81 7.968 9.666 -10.721 629 1HG GLU 81 2HG GLU 81 7.801 11.718 -11.864 630 2HG GLU 81 1HG GLU 81 6.619 10.642 -12.601 631 H ALA 82 H ALA 82 7.273 7.363 -11.468 632 HA ALA 82 HA ALA 82 6.341 7.537 -14.124 633 1HB ALA 82 1HB ALA 82 7.692 5.208 -12.767 634 2HB ALA 82 2HB ALA 82 8.515 6.582 -13.507 635 3HB ALA 82 3HB ALA 82 7.568 5.479 -14.506 636 H ILE 83 H ILE 83 5.456 5.391 -11.438 637 HA ILE 83 HA ILE 83 3.647 3.816 -12.967 638 HB ILE 83 HB ILE 83 3.788 4.229 -9.974 639 1HG1 ILE 83 2HG1 ILE 83 4.866 2.032 -11.760 640 2HG1 ILE 83 1HG1 ILE 83 5.824 3.251 -10.923 641 1HG2 ILE 83 1HG2 ILE 83 2.479 2.150 -9.823 642 2HG2 ILE 83 2HG2 ILE 83 2.296 2.150 -11.578 643 3HG2 ILE 83 3HG2 ILE 83 1.581 3.445 -10.615 644 1HD1 ILE 83 1HD1 ILE 83 5.902 1.099 -9.793 645 2HD1 ILE 83 2HD1 ILE 83 4.149 1.124 -9.607 646 3HD1 ILE 83 3HD1 ILE 83 5.141 2.326 -8.783 647 H GLY 84 H GLY 84 3.266 6.639 -10.861 648 1HA GLY 84 2HA GLY 84 0.455 6.797 -11.014 649 2HA GLY 84 1HA GLY 84 1.540 8.129 -10.637 650 H ASP 85 H ASP 85 3.014 8.132 -13.035 651 HA ASP 85 HA ASP 85 1.428 9.827 -14.627 652 1HB ASP 85 2HB ASP 85 3.956 9.783 -14.435 653 2HB ASP 85 1HB ASP 85 3.934 8.404 -15.524 654 H ARG 86 H ARG 86 2.177 6.445 -14.804 655 HA ARG 86 HA ARG 86 1.429 5.643 -17.307 656 1HB ARG 86 2HB ARG 86 2.225 4.110 -15.601 657 2HB ARG 86 1HB ARG 86 0.771 4.353 -14.654 658 1HG ARG 86 2HG ARG 86 0.412 2.305 -15.651 659 2HG ARG 86 1HG ARG 86 -0.465 3.416 -16.702 660 1HD ARG 86 2HD ARG 86 1.299 3.381 -18.320 661 2HD ARG 86 1HD ARG 86 2.343 2.459 -17.235 662 HE ARG 86 HE ARG 86 -0.144 1.404 -18.434 663 1HH1 ARG 86 1HH1 ARG 86 3.170 0.968 -17.365 664 2HH1 ARG 86 2HH1 ARG 86 3.160 -0.746 -17.652 665 1HH2 ARG 86 1HH2 ARG 86 -0.144 -0.843 -18.823 666 2HH2 ARG 86 2HH2 ARG 86 1.288 -1.780 -18.470 667 H PHE 87 H PHE 87 -0.738 6.323 -14.586 668 HA PHE 87 HA PHE 87 -2.986 6.348 -16.492 669 1HB PHE 87 2HB PHE 87 -4.318 5.759 -14.281 670 2HB PHE 87 1HB PHE 87 -3.570 4.509 -15.266 671 HD1 PHE 87 1HD PHE 87 -2.987 6.633 -12.270 672 HD2 PHE 87 2HD PHE 87 -2.035 3.046 -14.346 673 HE1 PHE 87 1HE PHE 87 -1.716 5.843 -10.318 674 HE2 PHE 87 2HE PHE 87 -0.760 2.251 -12.400 675 HZ PHE 87 HZ PHE 87 -0.602 3.652 -10.380 676 H ASN 88 H ASN 88 -1.143 8.427 -15.095 677 HA ASN 88 HA ASN 88 -1.297 10.615 -14.525 678 1HB ASN 88 2HB ASN 88 -2.928 10.519 -16.494 679 2HB ASN 88 1HB ASN 88 -4.214 10.522 -15.293 680 1HD2 ASN 88 1HD2 ASN 88 -4.665 12.401 -14.175 681 2HD2 ASN 88 2HD2 ASN 88 -3.985 13.936 -14.598 682 H VAL 89 H VAL 89 -1.931 8.525 -12.541 683 HA VAL 89 HA VAL 89 -3.471 10.217 -10.685 684 HB VAL 89 HB VAL 89 -3.210 7.205 -10.574 685 1HG1 VAL 89 1HG1 VAL 89 -4.753 9.132 -8.829 686 2HG1 VAL 89 2HG1 VAL 89 -3.351 8.178 -8.345 687 3HG1 VAL 89 3HG1 VAL 89 -4.869 7.373 -8.747 688 1HG2 VAL 89 1HG2 VAL 89 -4.697 7.886 -12.373 689 2HG2 VAL 89 2HG2 VAL 89 -5.569 8.955 -11.273 690 3HG2 VAL 89 3HG2 VAL 89 -5.632 7.207 -11.039 691 H ARG 90 H ARG 90 -1.793 11.353 -9.862 692 HA ARG 90 HA ARG 90 0.167 9.834 -8.273 693 1HB ARG 90 2HB ARG 90 1.912 11.405 -8.884 694 2HB ARG 90 1HB ARG 90 1.225 10.709 -10.347 695 1HG ARG 90 2HG ARG 90 -0.068 12.707 -10.739 696 2HG ARG 90 1HG ARG 90 0.478 13.394 -9.210 697 1HD ARG 90 2HD ARG 90 2.820 13.244 -10.097 698 2HD ARG 90 1HD ARG 90 2.129 12.808 -11.659 699 HE ARG 90 HE ARG 90 0.836 15.114 -11.004 700 1HH1 ARG 90 1HH1 ARG 90 4.197 14.170 -11.280 701 2HH1 ARG 90 2HH1 ARG 90 4.750 15.769 -11.676 702 1HH2 ARG 90 1HH2 ARG 90 1.554 17.237 -11.529 703 2HH2 ARG 90 2HH2 ARG 90 3.254 17.523 -11.792 704 H ARG 91 H ARG 91 -2.416 11.448 -7.876 705 HA ARG 91 HA ARG 91 -1.565 13.793 -6.422 706 1HB ARG 91 2HB ARG 91 -4.327 12.591 -6.733 707 2HB ARG 91 1HB ARG 91 -3.957 14.198 -6.117 708 1HG ARG 91 2HG ARG 91 -3.088 14.869 -8.264 709 2HG ARG 91 1HG ARG 91 -3.311 13.238 -8.898 710 1HD ARG 91 2HD ARG 91 -5.115 14.591 -9.677 711 2HD ARG 91 1HD ARG 91 -5.747 13.477 -8.465 712 HE ARG 91 HE ARG 91 -5.725 15.361 -6.886 713 1HH1 ARG 91 1HH1 ARG 91 -5.502 16.087 -10.311 714 2HH1 ARG 91 2HH1 ARG 91 -6.194 17.674 -10.145 715 1HH2 ARG 91 1HH2 ARG 91 -6.650 17.425 -6.663 716 2HH2 ARG 91 2HH2 ARG 91 -6.868 18.437 -8.070 717 H PHE 92 H PHE 92 -0.561 13.339 -4.584 718 HA PHE 92 HA PHE 92 -0.209 12.745 -2.425 719 1HB PHE 92 2HB PHE 92 -3.092 11.829 -2.514 720 2HB PHE 92 1HB PHE 92 -2.098 11.826 -1.062 721 HD1 PHE 92 1HD PHE 92 -4.222 13.754 -3.204 722 HD2 PHE 92 2HD PHE 92 -1.202 14.028 -0.217 723 HE1 PHE 92 1HE PHE 92 -4.877 16.084 -2.760 724 HE2 PHE 92 2HE PHE 92 -1.857 16.355 0.238 725 HZ PHE 92 HZ PHE 92 -3.697 17.385 -1.035 726 HA PRO 93 HA PRO 93 1.107 8.518 -2.663 727 1HB PRO 93 2HB PRO 93 0.824 8.282 0.247 728 2HB PRO 93 1HB PRO 93 2.277 8.172 -0.745 729 1HG PRO 93 2HG PRO 93 1.825 10.278 0.857 730 2HG PRO 93 1HG PRO 93 2.640 10.453 -0.710 731 1HD PRO 93 2HD PRO 93 -0.200 11.051 0.026 732 2HD PRO 93 1HD PRO 93 0.914 11.974 -1.005 733 H ALA 94 H ALA 94 -0.439 7.271 -3.531 734 HA ALA 94 HA ALA 94 -2.818 6.661 -1.921 735 1HB ALA 94 1HB ALA 94 -2.531 6.549 -4.919 736 2HB ALA 94 2HB ALA 94 -3.226 7.897 -4.018 737 3HB ALA 94 3HB ALA 94 -4.014 6.318 -3.990 738 H THR 95 H THR 95 -3.547 4.572 -1.740 739 HA THR 95 HA THR 95 -1.684 2.472 -2.625 740 HB THR 95 HB THR 95 -3.867 2.138 -0.564 741 HG1 THR 95 1HG THR 95 -1.736 3.749 -0.362 742 1HG2 THR 95 1HG2 THR 95 -2.806 0.106 -1.402 743 2HG2 THR 95 2HG2 THR 95 -2.365 0.387 0.283 744 3HG2 THR 95 3HG2 THR 95 -1.217 0.760 -1.003 745 H LEU 96 H LEU 96 -2.384 1.347 -4.393 746 HA LEU 96 HA LEU 96 -5.144 1.805 -5.214 747 1HB LEU 96 2HB LEU 96 -2.808 0.654 -6.725 748 2HB LEU 96 1HB LEU 96 -4.394 0.961 -7.398 749 HG LEU 96 HG LEU 96 -2.513 3.063 -6.326 750 1HD1 LEU 96 1HD1 LEU 96 -1.744 2.057 -8.410 751 2HD1 LEU 96 2HD1 LEU 96 -2.262 3.726 -8.647 752 3HD1 LEU 96 3HD1 LEU 96 -3.307 2.397 -9.152 753 1HD2 LEU 96 1HD2 LEU 96 -4.089 4.670 -7.262 754 2HD2 LEU 96 2HD2 LEU 96 -4.864 3.679 -6.027 755 3HD2 LEU 96 3HD2 LEU 96 -5.166 3.356 -7.733 756 H VAL 97 H VAL 97 -6.649 0.291 -5.474 757 HA VAL 97 HA VAL 97 -6.099 -2.371 -4.400 758 HB VAL 97 HB VAL 97 -8.741 -1.126 -5.209 759 1HG1 VAL 97 1HG1 VAL 97 -9.765 -2.930 -3.936 760 2HG1 VAL 97 2HG1 VAL 97 -8.174 -3.609 -3.594 761 3HG1 VAL 97 3HG1 VAL 97 -8.779 -3.568 -5.251 762 1HG2 VAL 97 1HG2 VAL 97 -7.706 0.089 -3.363 763 2HG2 VAL 97 2HG2 VAL 97 -7.508 -1.418 -2.470 764 3HG2 VAL 97 3HG2 VAL 97 -9.126 -0.803 -2.814 765 H PHE 98 H PHE 98 -5.691 -4.026 -5.712 766 HA PHE 98 HA PHE 98 -6.755 -3.930 -8.457 767 1HB PHE 98 2HB PHE 98 -4.097 -4.985 -7.488 768 2HB PHE 98 1HB PHE 98 -4.741 -5.302 -9.092 769 HD1 PHE 98 1HD PHE 98 -3.268 -2.805 -6.880 770 HD2 PHE 98 2HD PHE 98 -4.839 -3.555 -10.762 771 HE1 PHE 98 1HE PHE 98 -2.249 -0.722 -7.696 772 HE2 PHE 98 2HE PHE 98 -3.814 -1.474 -11.580 773 HZ PHE 98 HZ PHE 98 -2.527 -0.054 -10.047 774 H THR 99 H THR 99 -8.347 -5.359 -8.605 775 HA THR 99 HA THR 99 -7.662 -8.141 -8.015 776 HB THR 99 HB THR 99 -9.926 -8.685 -7.291 777 HG1 THR 99 1HG THR 99 -11.290 -7.231 -8.132 778 1HG2 THR 99 1HG2 THR 99 -9.957 -7.578 -5.093 779 2HG2 THR 99 2HG2 THR 99 -8.760 -6.417 -5.673 780 3HG2 THR 99 3HG2 THR 99 -8.339 -8.124 -5.536 781 H ASP 100 H ASP 100 -9.161 -9.626 -9.301 782 HA ASP 100 HA ASP 100 -9.946 -10.325 -11.326 783 1HB ASP 100 2HB ASP 100 -10.738 -7.427 -11.706 784 2HB ASP 100 1HB ASP 100 -11.266 -8.766 -12.708 785 H GLY 101 H GLY 101 -7.244 -8.884 -10.914 786 1HA GLY 101 2HA GLY 101 -5.412 -8.344 -12.198 787 2HA GLY 101 1HA GLY 101 -6.281 -8.977 -13.590 788 H LYS 102 H LYS 102 -7.933 -6.565 -11.816 789 HA LYS 102 HA LYS 102 -7.219 -4.543 -13.847 790 1HB LYS 102 2HB LYS 102 -9.931 -4.877 -12.559 791 2HB LYS 102 1HB LYS 102 -9.509 -3.822 -13.898 792 1HG LYS 102 2HG LYS 102 -9.132 -5.754 -15.326 793 2HG LYS 102 1HG LYS 102 -9.509 -6.831 -13.977 794 1HD LYS 102 2HD LYS 102 -11.760 -5.798 -13.847 795 2HD LYS 102 1HD LYS 102 -11.370 -4.850 -15.283 796 1HE LYS 102 2HE LYS 102 -11.533 -7.857 -15.094 797 2HE LYS 102 1HE LYS 102 -12.673 -6.786 -15.908 798 1HZ LYS 102 1HZ LYS 102 -11.371 -7.521 -17.632 799 2HZ LYS 102 2HZ LYS 102 -9.954 -7.561 -16.711 800 3HZ LYS 102 3HZ LYS 102 -10.579 -6.076 -17.232 801 H LEU 103 H LEU 103 -7.881 -2.294 -13.124 802 HA LEU 103 HA LEU 103 -7.094 -1.879 -10.340 803 1HB LEU 103 2HB LEU 103 -6.013 -0.501 -12.046 804 2HB LEU 103 1HB LEU 103 -7.573 0.075 -12.597 805 HG LEU 103 HG LEU 103 -7.911 1.240 -10.470 806 1HD1 LEU 103 1HD1 LEU 103 -6.123 1.402 -8.832 807 2HD1 LEU 103 2HD1 LEU 103 -5.150 0.272 -9.772 808 3HD1 LEU 103 3HD1 LEU 103 -6.651 -0.269 -9.024 809 1HD2 LEU 103 1HD2 LEU 103 -6.190 2.950 -10.746 810 2HD2 LEU 103 2HD2 LEU 103 -6.840 2.426 -12.300 811 3HD2 LEU 103 3HD2 LEU 103 -5.262 1.849 -11.762 812 H ARG 104 H ARG 104 -8.617 -1.800 -8.832 813 HA ARG 104 HA ARG 104 -11.401 -1.472 -9.675 814 1HB ARG 104 2HB ARG 104 -10.281 -2.407 -7.032 815 2HB ARG 104 1HB ARG 104 -11.959 -2.499 -7.541 816 1HG ARG 104 2HG ARG 104 -9.883 -3.849 -9.190 817 2HG ARG 104 1HG ARG 104 -10.375 -4.581 -7.663 818 1HD ARG 104 2HD ARG 104 -11.718 -5.543 -9.377 819 2HD ARG 104 1HD ARG 104 -12.744 -4.446 -8.460 820 HE ARG 104 HE ARG 104 -11.976 -2.879 -10.484 821 1HH1 ARG 104 1HH1 ARG 104 -13.058 -6.206 -10.496 822 2HH1 ARG 104 2HH1 ARG 104 -13.900 -6.058 -12.015 823 1HH2 ARG 104 1HH2 ARG 104 -13.071 -2.677 -12.498 824 2HH2 ARG 104 2HH2 ARG 104 -13.915 -4.056 -13.141 825 H GLY 105 H GLY 105 -8.994 -0.040 -7.563 826 1HA GLY 105 2HA GLY 105 -10.086 2.499 -7.496 827 2HA GLY 105 1HA GLY 105 -10.784 1.644 -6.126 828 H ALA 106 H ALA 106 -9.714 3.018 -4.651 829 HA ALA 106 HA ALA 106 -6.976 2.223 -4.104 830 1HB ALA 106 1HB ALA 106 -6.155 4.522 -3.939 831 2HB ALA 106 2HB ALA 106 -7.709 5.128 -4.514 832 3HB ALA 106 3HB ALA 106 -6.694 4.154 -5.578 833 H LEU 107 H LEU 107 -6.260 2.878 -1.975 834 HA LEU 107 HA LEU 107 -8.468 3.050 -0.101 835 1HB LEU 107 2HB LEU 107 -5.491 2.751 0.325 836 2HB LEU 107 1HB LEU 107 -6.627 2.937 1.639 837 HG LEU 107 HG LEU 107 -6.144 0.652 1.518 838 1HD1 LEU 107 1HD1 LEU 107 -8.742 1.080 0.061 839 2HD1 LEU 107 2HD1 LEU 107 -8.505 1.122 1.808 840 3HD1 LEU 107 3HD1 LEU 107 -8.270 -0.386 0.925 841 1HD2 LEU 107 1HD2 LEU 107 -5.102 0.622 -0.684 842 2HD2 LEU 107 2HD2 LEU 107 -6.690 0.744 -1.442 843 3HD2 LEU 107 3HD2 LEU 107 -6.268 -0.689 -0.504 844 H SER 108 H SER 108 -9.271 5.105 -0.360 845 HA SER 108 HA SER 108 -7.423 7.294 0.305 846 1HB SER 108 2HB SER 108 -10.046 7.458 -1.200 847 2HB SER 108 1HB SER 108 -8.907 8.777 -0.931 848 HG SER 108 HG SER 108 -7.402 7.095 -2.029 849 H GLY 109 H GLY 109 -7.611 7.231 2.508 850 1HA GLY 109 2HA GLY 109 -10.136 7.072 3.840 851 2HA GLY 109 1HA GLY 109 -8.587 7.437 4.584 852 H ILE 110 H ILE 110 -11.538 8.617 4.190 853 HA ILE 110 HA ILE 110 -10.628 11.408 3.927 854 HB ILE 110 HB ILE 110 -12.381 10.776 2.332 855 1HG1 ILE 110 2HG1 ILE 110 -13.449 12.640 4.467 856 2HG1 ILE 110 1HG1 ILE 110 -12.284 13.090 3.231 857 1HG2 ILE 110 1HG2 ILE 110 -13.463 9.014 3.616 858 2HG2 ILE 110 2HG2 ILE 110 -14.638 10.217 3.083 859 3HG2 ILE 110 3HG2 ILE 110 -14.081 10.213 4.755 860 1HD1 ILE 110 1HD1 ILE 110 -13.926 12.651 1.493 861 2HD1 ILE 110 2HD1 ILE 110 -14.528 13.829 2.661 862 3HD1 ILE 110 3HD1 ILE 110 -15.095 12.163 2.720 863 H HIS 111 H HIS 111 -11.993 9.054 6.024 864 HA HIS 111 HA HIS 111 -11.910 11.031 8.211 865 1HB HIS 111 2HB HIS 111 -13.921 8.829 7.737 866 2HB HIS 111 1HB HIS 111 -13.655 9.512 9.334 867 HD1 HIS 111 1HD HIS 111 -14.975 11.524 9.905 868 HD2 HIS 111 2HD HIS 111 -14.884 10.812 5.811 869 HE1 HIS 111 1HE HIS 111 -16.555 13.200 8.887 870 HE2 HIS 111 2HE HIS 111 -16.691 12.543 6.459 871 HA PRO 112 HA PRO 112 -9.246 8.020 10.182 872 1HB PRO 112 2HB PRO 112 -10.589 8.451 12.759 873 2HB PRO 112 1HB PRO 112 -8.929 8.824 12.287 874 1HG PRO 112 2HG PRO 112 -10.769 10.748 12.707 875 2HG PRO 112 1HG PRO 112 -9.482 10.913 11.499 876 1HD PRO 112 2HD PRO 112 -12.365 10.195 11.111 877 2HD PRO 112 1HD PRO 112 -11.330 11.265 10.139 878 H TRP 113 H TRP 113 -10.330 6.304 9.041 879 HA TRP 113 HA TRP 113 -11.162 4.207 8.958 880 1HB TRP 113 2HB TRP 113 -10.155 4.283 11.437 881 2HB TRP 113 1HB TRP 113 -11.856 4.114 11.856 882 HD1 TRP 113 HD TRP 113 -12.898 1.726 11.660 883 HE1 TRP 113 1HE TRP 113 -11.998 -0.579 10.927 884 HE3 TRP 113 3HE TRP 113 -8.414 3.200 9.702 885 HZ2 TRP 113 2HZ TRP 113 -9.686 -1.617 9.677 886 HZ3 TRP 113 3HZ TRP 113 -6.916 1.491 8.762 887 HH2 TRP 113 HH TRP 113 -7.539 -0.868 8.752 888 H ALA 114 H ALA 114 -13.266 2.954 10.105 889 HA ALA 114 HA ALA 114 -15.515 2.798 10.311 890 1HB ALA 114 1HB ALA 114 -15.587 5.810 10.222 891 2HB ALA 114 2HB ALA 114 -15.517 4.814 11.676 892 3HB ALA 114 3HB ALA 114 -16.936 4.748 10.630 893 H GLU 115 H GLU 115 -14.662 5.363 7.965 894 HA GLU 115 HA GLU 115 -16.819 4.557 6.236 895 1HB GLU 115 2HB GLU 115 -15.365 6.170 4.634 896 2HB GLU 115 1HB GLU 115 -16.555 6.743 5.786 897 1HG GLU 115 2HG GLU 115 -14.663 8.104 6.040 898 2HG GLU 115 1HG GLU 115 -14.687 7.030 7.433 899 H LEU 116 H LEU 116 -13.494 3.746 6.578 900 HA LEU 116 HA LEU 116 -12.893 2.659 4.104 901 1HB LEU 116 2HB LEU 116 -11.927 2.398 6.824 902 2HB LEU 116 1HB LEU 116 -11.804 0.881 5.953 903 HG LEU 116 HG LEU 116 -10.651 3.499 4.979 904 1HD1 LEU 116 1HD1 LEU 116 -9.297 1.163 6.326 905 2HD1 LEU 116 2HD1 LEU 116 -9.526 2.773 7.010 906 3HD1 LEU 116 3HD1 LEU 116 -8.483 2.553 5.606 907 1HD2 LEU 116 1HD2 LEU 116 -11.182 1.935 3.188 908 2HD2 LEU 116 2HD2 LEU 116 -10.299 0.658 4.022 909 3HD2 LEU 116 3HD2 LEU 116 -9.437 2.066 3.402 910 H LEU 117 H LEU 117 -14.920 1.357 6.660 911 HA LEU 117 HA LEU 117 -15.142 -1.274 5.651 912 1HB LEU 117 2HB LEU 117 -16.983 0.371 7.385 913 2HB LEU 117 1HB LEU 117 -17.343 -1.285 6.939 914 HG LEU 117 HG LEU 117 -16.427 -1.320 9.134 915 1HD1 LEU 117 1HD1 LEU 117 -14.284 -2.155 7.192 916 2HD1 LEU 117 2HD1 LEU 117 -15.676 -3.120 7.684 917 3HD1 LEU 117 3HD1 LEU 117 -14.436 -2.695 8.865 918 1HD2 LEU 117 1HD2 LEU 117 -14.210 -0.403 9.672 919 2HD2 LEU 117 2HD2 LEU 117 -15.352 0.847 9.175 920 3HD2 LEU 117 3HD2 LEU 117 -14.117 0.282 8.048 921 H THR 118 H THR 118 -16.832 1.716 4.961 922 HA THR 118 HA THR 118 -18.769 0.466 3.234 923 HB THR 118 HB THR 118 -18.061 3.402 3.425 924 HG1 THR 118 1HG THR 118 -19.130 1.813 5.284 925 1HG2 THR 118 1HG2 THR 118 -19.420 2.814 1.476 926 2HG2 THR 118 2HG2 THR 118 -20.360 3.745 2.644 927 3HG2 THR 118 3HG2 THR 118 -20.582 2.001 2.523 928 H LEU 119 H LEU 119 -15.762 2.294 2.882 929 HA LEU 119 HA LEU 119 -15.677 2.493 0.099 930 1HB LEU 119 2HB LEU 119 -13.422 2.148 2.076 931 2HB LEU 119 1HB LEU 119 -13.198 2.576 0.391 932 HG LEU 119 HG LEU 119 -14.694 4.238 2.420 933 1HD1 LEU 119 1HD1 LEU 119 -12.309 4.184 2.882 934 2HD1 LEU 119 2HD1 LEU 119 -12.789 5.762 2.252 935 3HD1 LEU 119 3HD1 LEU 119 -11.961 4.606 1.206 936 1HD2 LEU 119 1HD2 LEU 119 -15.556 4.538 0.165 937 2HD2 LEU 119 2HD2 LEU 119 -13.921 4.814 -0.439 938 3HD2 LEU 119 3HD2 LEU 119 -14.655 5.964 0.679 939 H MET 120 H MET 120 -14.396 -0.043 2.227 940 HA MET 120 HA MET 120 -13.374 -1.744 0.267 941 1HB MET 120 2HB MET 120 -12.884 -2.051 2.621 942 2HB MET 120 1HB MET 120 -14.575 -2.370 2.970 943 1HG MET 120 2HG MET 120 -13.113 -4.139 1.067 944 2HG MET 120 1HG MET 120 -12.854 -4.319 2.800 945 1HE MET 120 1HE MET 120 -15.769 -3.526 3.916 946 2HE MET 120 2HE MET 120 -14.808 -4.872 4.530 947 3HE MET 120 3HE MET 120 -16.488 -5.131 4.059 948 H ARG 121 H ARG 121 -16.604 -1.652 1.719 949 HA ARG 121 HA ARG 121 -17.605 -3.869 0.261 950 1HB ARG 121 2HB ARG 121 -18.464 -2.768 2.456 951 2HB ARG 121 1HB ARG 121 -19.330 -1.679 1.386 952 1HG ARG 121 2HG ARG 121 -19.639 -4.592 0.922 953 2HG ARG 121 1HG ARG 121 -20.424 -3.892 2.337 954 1HD ARG 121 2HD ARG 121 -21.605 -2.307 0.932 955 2HD ARG 121 1HD ARG 121 -20.759 -2.908 -0.495 956 HE ARG 121 HE ARG 121 -22.129 -4.770 -0.523 957 1HH1 ARG 121 1HH1 ARG 121 -22.706 -2.869 2.374 958 2HH1 ARG 121 2HH1 ARG 121 -24.125 -3.762 2.829 959 1HH2 ARG 121 1HH2 ARG 121 -24.039 -5.894 0.049 960 2HH2 ARG 121 2HH2 ARG 121 -24.924 -5.434 1.471 961 H SER 122 H SER 122 -17.281 -0.489 -0.455 962 HA SER 122 HA SER 122 -19.118 -0.491 -2.656 963 1HB SER 122 2HB SER 122 -18.495 1.560 -1.366 964 2HB SER 122 1HB SER 122 -16.887 1.472 -2.086 965 HG SER 122 HG SER 122 -17.837 1.744 -4.127 966 H ILE 123 H ILE 123 -15.651 -0.967 -2.259 967 HA ILE 123 HA ILE 123 -15.129 -0.965 -5.089 968 HB ILE 123 HB ILE 123 -13.386 -1.813 -2.767 969 1HG1 ILE 123 2HG1 ILE 123 -13.351 0.702 -4.455 970 2HG1 ILE 123 1HG1 ILE 123 -14.005 0.590 -2.823 971 1HG2 ILE 123 1HG2 ILE 123 -12.659 -1.402 -5.667 972 2HG2 ILE 123 2HG2 ILE 123 -12.700 -2.943 -4.811 973 3HG2 ILE 123 3HG2 ILE 123 -11.519 -1.714 -4.357 974 1HD1 ILE 123 1HD1 ILE 123 -11.132 0.149 -3.612 975 2HD1 ILE 123 2HD1 ILE 123 -11.786 0.025 -1.979 976 3HD1 ILE 123 3HD1 ILE 123 -11.794 1.577 -2.815 977 H VAL 124 H VAL 124 -15.217 -3.446 -2.538 978 HA VAL 124 HA VAL 124 -15.615 -5.448 -4.647 979 HB VAL 124 HB VAL 124 -14.415 -7.091 -3.109 980 1HG1 VAL 124 1HG1 VAL 124 -12.822 -4.854 -4.361 981 2HG1 VAL 124 2HG1 VAL 124 -13.476 -6.256 -5.205 982 3HG1 VAL 124 3HG1 VAL 124 -12.219 -6.470 -3.988 983 1HG2 VAL 124 1HG2 VAL 124 -14.367 -5.728 -1.088 984 2HG2 VAL 124 2HG2 VAL 124 -13.380 -4.519 -1.910 985 3HG2 VAL 124 3HG2 VAL 124 -12.729 -6.129 -1.606 986 H ASP 125 H ASP 125 -17.820 -4.888 -4.156 987 HA ASP 125 HA ASP 125 -19.162 -5.326 -1.778 988 1HB ASP 125 2HB ASP 125 -20.255 -4.279 -3.650 989 2HB ASP 125 1HB ASP 125 -20.079 -5.732 -4.628 990 H THR 126 H THR 126 -18.543 -7.613 -4.407 991 HA THR 126 HA THR 126 -18.281 -9.853 -4.461 992 HB THR 126 HB THR 126 -18.066 -9.739 -1.451 993 HG1 THR 126 1HG THR 126 -16.458 -8.422 -2.078 994 1HG2 THR 126 1HG2 THR 126 -16.653 -11.730 -1.755 995 2HG2 THR 126 2HG2 THR 126 -16.980 -11.689 -3.488 996 3HG2 THR 126 3HG2 THR 126 -18.291 -11.999 -2.350 997 HA PRO 127 HA PRO 127 -22.609 -10.880 -3.494 998 1HB PRO 127 2HB PRO 127 -23.184 -11.923 -5.914 999 2HB PRO 127 1HB PRO 127 -23.241 -10.185 -5.601 1000 1HG PRO 127 2HG PRO 127 -21.152 -11.793 -6.989 1001 2HG PRO 127 1HG PRO 127 -21.739 -10.162 -7.350 1002 1HD PRO 127 2HD PRO 127 -19.396 -10.740 -5.996 1003 2HD PRO 127 1HD PRO 127 -20.268 -9.197 -5.912 1004 H ALA 128 H ALA 128 -22.340 -12.541 -2.119 1005 HA ALA 128 HA ALA 128 -22.269 -14.672 -1.355 1006 1HB ALA 128 1HB ALA 128 -22.383 -16.572 -2.837 1007 2HB ALA 128 2HB ALA 128 -21.957 -15.563 -4.218 1008 3HB ALA 128 3HB ALA 128 -23.496 -15.321 -3.389 1009 H ALA 129 H ALA 129 -20.762 -16.431 -0.952 1010 HA ALA 129 HA ALA 129 -18.697 -17.193 -0.392 1011 1HB ALA 129 1HB ALA 129 -18.338 -17.378 -2.820 1012 2HB ALA 129 2HB ALA 129 -16.855 -16.966 -1.960 1013 3HB ALA 129 3HB ALA 129 -17.734 -15.721 -2.846 1014 H GLN 130 H GLN 130 -19.774 -14.574 0.434 1015 HA GLN 130 HA GLN 130 -17.382 -12.936 0.819 1016 1HB GLN 130 2HB GLN 130 -19.511 -11.928 -0.023 1017 2HB GLN 130 1HB GLN 130 -20.270 -12.343 1.506 1018 1HG GLN 130 2HG GLN 130 -18.554 -10.918 2.638 1019 2HG GLN 130 1HG GLN 130 -18.036 -10.391 1.037 1020 1HE2 GLN 130 1HE2 GLN 130 -18.620 -8.266 1.351 1021 2HE2 GLN 130 2HE2 GLN 130 -20.264 -7.751 1.430 1022 H GLU 131 H GLU 131 -16.214 -13.594 2.553 1023 HA GLU 131 HA GLU 131 -17.420 -14.770 4.866 1024 1HB GLU 131 2HB GLU 131 -15.123 -15.345 4.162 1025 2HB GLU 131 1HB GLU 131 -14.613 -13.695 4.506 1026 1HG GLU 131 2HG GLU 131 -15.347 -14.069 6.878 1027 2HG GLU 131 1HG GLU 131 -15.566 -15.767 6.464 1028 H THR 132 H THR 132 -15.467 -11.822 4.542 1029 HA THR 132 HA THR 132 -15.259 -9.972 5.787 1030 HB THR 132 HB THR 132 -17.390 -8.800 6.471 1031 HG1 THR 132 1HG THR 132 -18.437 -11.239 5.730 1032 1HG2 THR 132 1HG2 THR 132 -16.249 -8.361 4.360 1033 2HG2 THR 132 2HG2 THR 132 -18.000 -8.254 4.172 1034 3HG2 THR 132 3HG2 THR 132 -17.136 -9.681 3.599 1035 H VAL 133 H VAL 133 -18.088 -10.909 7.662 1036 HA VAL 133 HA VAL 133 -18.393 -11.074 9.904 1037 HB VAL 133 HB VAL 133 -15.663 -12.383 9.955 1038 1HG1 VAL 133 1HG1 VAL 133 -16.525 -13.543 11.934 1039 2HG1 VAL 133 2HG1 VAL 133 -18.026 -12.624 11.815 1040 3HG1 VAL 133 3HG1 VAL 133 -16.510 -11.793 12.162 1041 1HG2 VAL 133 1HG2 VAL 133 -17.107 -13.456 8.292 1042 2HG2 VAL 133 2HG2 VAL 133 -18.368 -13.650 9.510 1043 3HG2 VAL 133 3HG2 VAL 133 -16.837 -14.509 9.681 1044 H GLN 134 H GLN 134 -18.240 -8.754 9.924 1045 HA GLN 134 HA GLN 134 -15.724 -7.718 11.037 1046 1HB GLN 134 2HB GLN 134 -16.683 -5.463 10.327 1047 2HB GLN 134 1HB GLN 134 -16.175 -6.549 9.043 1048 1HG GLN 134 2HG GLN 134 -18.532 -7.232 8.747 1049 2HG GLN 134 1HG GLN 134 -18.995 -6.033 9.952 1050 1HE2 GLN 134 1HE2 GLN 134 -20.267 -4.921 8.459 1051 2HE2 GLN 134 2HE2 GLN 134 -19.561 -3.943 7.218 Start of MODEL 9 1 1H MET 1 1HT MET 1 9.302 8.295 22.723 2 2H MET 1 2HT MET 1 10.834 9.001 22.883 3 3H MET 1 3HT MET 1 10.694 7.333 22.602 4 HA MET 1 HA MET 1 9.653 7.820 20.443 5 1HB MET 1 2HB MET 1 10.553 10.627 21.121 6 2HB MET 1 1HB MET 1 10.012 10.104 19.533 7 1HG MET 1 2HG MET 1 7.803 9.578 20.488 8 2HG MET 1 1HG MET 1 8.360 10.175 22.050 9 1HE MET 1 1HE MET 1 7.605 11.121 18.313 10 2HE MET 1 2HE MET 1 9.272 11.656 18.517 11 3HE MET 1 3HE MET 1 7.987 12.844 18.294 12 H ALA 2 H ALA 2 11.097 6.738 19.301 13 HA ALA 2 HA ALA 2 13.925 7.513 19.456 14 1HB ALA 2 1HB ALA 2 13.432 5.146 19.875 15 2HB ALA 2 2HB ALA 2 14.389 5.348 18.407 16 3HB ALA 2 3HB ALA 2 12.660 5.028 18.296 17 H ASN 3 H ASN 3 14.275 9.137 18.040 18 HA ASN 3 HA ASN 3 13.245 8.818 15.289 19 1HB ASN 3 2HB ASN 3 12.279 10.742 16.620 20 2HB ASN 3 1HB ASN 3 13.891 11.450 16.642 21 1HD2 ASN 3 1HD2 ASN 3 11.499 12.554 15.516 22 2HD2 ASN 3 2HD2 ASN 3 11.786 12.762 13.822 23 H ASP 4 H ASP 4 14.937 7.947 14.244 24 HA ASP 4 HA ASP 4 17.630 8.976 14.630 25 1HB ASP 4 2HB ASP 4 17.324 6.578 14.253 26 2HB ASP 4 1HB ASP 4 16.522 6.902 12.722 27 H THR 5 H THR 5 14.909 9.589 12.706 28 HA THR 5 HA THR 5 14.471 10.674 10.759 29 HB THR 5 HB THR 5 17.116 12.104 11.097 30 HG1 THR 5 1HG THR 5 14.868 12.117 12.729 31 1HG2 THR 5 1HG2 THR 5 15.850 13.993 10.142 32 2HG2 THR 5 2HG2 THR 5 14.429 12.959 10.003 33 3HG2 THR 5 3HG2 THR 5 15.875 12.604 9.056 34 HA PRO 6 HA PRO 6 17.639 7.961 8.679 35 1HB PRO 6 2HB PRO 6 15.914 5.756 8.422 36 2HB PRO 6 1HB PRO 6 17.175 5.970 9.636 37 1HG PRO 6 2HG PRO 6 14.416 5.877 10.120 38 2HG PRO 6 1HG PRO 6 15.658 6.430 11.256 39 1HD PRO 6 2HD PRO 6 13.866 8.024 9.475 40 2HD PRO 6 1HD PRO 6 14.455 8.391 11.113 41 H PHE 7 H PHE 7 14.653 9.174 7.798 42 HA PHE 7 HA PHE 7 13.722 9.756 5.821 43 1HB PHE 7 2HB PHE 7 16.152 8.480 4.552 44 2HB PHE 7 1HB PHE 7 14.940 9.423 3.695 45 HD1 PHE 7 1HD PHE 7 14.693 11.851 4.191 46 HD2 PHE 7 2HD PHE 7 17.895 9.525 5.757 47 HE1 PHE 7 1HE PHE 7 15.955 13.909 4.661 48 HE2 PHE 7 2HE PHE 7 19.158 11.579 6.236 49 HZ PHE 7 HZ PHE 7 18.190 13.778 5.686 50 H SER 8 H SER 8 15.081 6.484 5.759 51 HA SER 8 HA SER 8 12.436 5.426 5.264 52 1HB SER 8 2HB SER 8 13.249 4.060 3.311 53 2HB SER 8 1HB SER 8 13.121 5.790 2.991 54 HG SER 8 HG SER 8 15.504 4.405 3.683 55 H ALA 9 H ALA 9 13.199 4.890 7.537 56 HA ALA 9 HA ALA 9 15.243 2.940 7.905 57 1HB ALA 9 1HB ALA 9 12.919 3.607 9.704 58 2HB ALA 9 2HB ALA 9 14.493 4.402 9.708 59 3HB ALA 9 3HB ALA 9 14.364 2.703 10.162 60 H LEU 10 H LEU 10 11.694 2.666 7.862 61 HA LEU 10 HA LEU 10 11.672 -0.139 8.228 62 1HB LEU 10 2HB LEU 10 9.766 1.350 8.733 63 2HB LEU 10 1HB LEU 10 9.547 1.629 7.016 64 HG LEU 10 HG LEU 10 9.056 -0.785 6.718 65 1HD1 LEU 10 1HD1 LEU 10 8.601 -2.160 8.681 66 2HD1 LEU 10 2HD1 LEU 10 9.145 -0.853 9.732 67 3HD1 LEU 10 3HD1 LEU 10 10.286 -1.642 8.642 68 1HD2 LEU 10 1HD2 LEU 10 7.320 0.640 8.732 69 2HD2 LEU 10 2HD2 LEU 10 6.829 -0.721 7.722 70 3HD2 LEU 10 3HD2 LEU 10 7.243 0.824 6.980 71 H TRP 11 H TRP 11 11.862 1.892 5.402 72 HA TRP 11 HA TRP 11 11.099 0.185 3.366 73 1HB TRP 11 2HB TRP 11 12.258 2.699 3.556 74 2HB TRP 11 1HB TRP 11 13.459 1.755 2.684 75 HD1 TRP 11 HD TRP 11 10.165 3.499 2.227 76 HE1 TRP 11 1HE TRP 11 9.364 3.219 -0.205 77 HE3 TRP 11 3HE TRP 11 13.497 -0.047 0.680 78 HZ2 TRP 11 2HZ TRP 11 10.058 1.686 -2.479 79 HZ3 TRP 11 3HZ TRP 11 13.360 -0.863 -1.624 80 HH2 TRP 11 HH TRP 11 11.679 -0.016 -3.177 81 H GLN 12 H GLN 12 14.159 0.335 5.108 82 HA GLN 12 HA GLN 12 15.655 -1.407 3.486 83 1HB GLN 12 2HB GLN 12 16.644 0.012 5.242 84 2HB GLN 12 1HB GLN 12 15.848 -0.958 6.473 85 1HG GLN 12 2HG GLN 12 17.148 -2.915 5.746 86 2HG GLN 12 1HG GLN 12 17.975 -1.902 4.562 87 1HE2 GLN 12 1HE2 GLN 12 19.979 -2.265 5.479 88 2HE2 GLN 12 2HE2 GLN 12 20.453 -1.561 6.987 89 H ARG 13 H ARG 13 13.591 -2.019 6.297 90 HA ARG 13 HA ARG 13 14.041 -4.839 6.266 91 1HB ARG 13 2HB ARG 13 12.027 -3.125 7.713 92 2HB ARG 13 1HB ARG 13 12.112 -4.874 7.899 93 1HG ARG 13 2HG ARG 13 14.301 -2.902 8.536 94 2HG ARG 13 1HG ARG 13 13.299 -3.779 9.699 95 1HD ARG 13 2HD ARG 13 14.230 -5.880 9.005 96 2HD ARG 13 1HD ARG 13 15.086 -5.116 7.668 97 HE ARG 13 HE ARG 13 15.847 -4.043 10.218 98 1HH1 ARG 13 1HH1 ARG 13 16.366 -6.689 7.975 99 2HH1 ARG 13 2HH1 ARG 13 17.956 -7.051 8.571 100 1HH2 ARG 13 1HH2 ARG 13 17.951 -4.526 11.005 101 2HH2 ARG 13 2HH2 ARG 13 18.850 -5.829 10.283 102 H LEU 14 H LEU 14 11.742 -2.686 4.780 103 HA LEU 14 HA LEU 14 9.819 -4.592 4.001 104 1HB LEU 14 2HB LEU 14 10.659 -2.094 2.520 105 2HB LEU 14 1HB LEU 14 9.167 -2.979 2.279 106 HG LEU 14 HG LEU 14 9.957 -1.386 4.715 107 1HD1 LEU 14 1HD1 LEU 14 7.996 -0.048 4.143 108 2HD1 LEU 14 2HD1 LEU 14 7.733 -1.046 2.712 109 3HD1 LEU 14 3HD1 LEU 14 9.184 -0.051 2.839 110 1HD2 LEU 14 1HD2 LEU 14 7.500 -3.077 4.272 111 2HD2 LEU 14 2HD2 LEU 14 7.776 -1.992 5.635 112 3HD2 LEU 14 3HD2 LEU 14 8.801 -3.410 5.417 113 H LEU 15 H LEU 15 12.837 -3.510 2.541 114 HA LEU 15 HA LEU 15 12.701 -5.110 0.211 115 1HB LEU 15 2HB LEU 15 15.000 -3.872 1.706 116 2HB LEU 15 1HB LEU 15 15.242 -4.836 0.264 117 HG LEU 15 HG LEU 15 13.604 -2.306 0.401 118 1HD1 LEU 15 1HD1 LEU 15 16.353 -2.819 -0.728 119 2HD1 LEU 15 2HD1 LEU 15 15.976 -1.864 0.705 120 3HD1 LEU 15 3HD1 LEU 15 15.442 -1.317 -0.883 121 1HD2 LEU 15 1HD2 LEU 15 12.836 -3.924 -1.289 122 2HD2 LEU 15 2HD2 LEU 15 14.464 -3.970 -1.967 123 3HD2 LEU 15 3HD2 LEU 15 13.529 -2.475 -2.019 124 H THR 16 H THR 16 13.479 -5.816 3.492 125 HA THR 16 HA THR 16 15.118 -8.080 3.118 126 HB THR 16 HB THR 16 13.269 -7.507 5.445 127 HG1 THR 16 1HG THR 16 15.342 -6.107 4.559 128 1HG2 THR 16 1HG2 THR 16 14.878 -8.832 6.736 129 2HG2 THR 16 2HG2 THR 16 15.800 -9.147 5.267 130 3HG2 THR 16 3HG2 THR 16 14.165 -9.786 5.434 131 H ARG 17 H ARG 17 11.586 -7.733 3.488 132 HA ARG 17 HA ARG 17 11.182 -10.176 2.023 133 1HB ARG 17 2HB ARG 17 11.614 -10.966 4.378 134 2HB ARG 17 1HB ARG 17 10.176 -10.090 4.879 135 1HG ARG 17 2HG ARG 17 9.999 -12.137 2.708 136 2HG ARG 17 1HG ARG 17 10.045 -12.635 4.398 137 1HD ARG 17 2HD ARG 17 7.944 -11.915 4.795 138 2HD ARG 17 1HD ARG 17 8.136 -10.481 3.787 139 HE ARG 17 HE ARG 17 7.959 -12.264 1.889 140 1HH1 ARG 17 1HH1 ARG 17 6.133 -12.278 4.890 141 2HH1 ARG 17 2HH1 ARG 17 4.725 -12.990 4.165 142 1HH2 ARG 17 1HH2 ARG 17 6.140 -13.204 0.955 143 2HH2 ARG 17 2HH2 ARG 17 4.733 -13.551 1.922 144 H GLY 18 H GLY 18 9.405 -9.976 0.826 145 1HA GLY 18 2HA GLY 18 7.030 -9.746 0.714 146 2HA GLY 18 1HA GLY 18 7.118 -8.547 1.988 147 H TRP 19 H TRP 19 8.211 -6.476 1.394 148 HA TRP 19 HA TRP 19 6.714 -5.448 -0.794 149 1HB TRP 19 2HB TRP 19 8.782 -4.131 0.971 150 2HB TRP 19 1HB TRP 19 7.778 -3.276 -0.193 151 HD1 TRP 19 HD TRP 19 7.356 -5.416 3.008 152 HE1 TRP 19 1HE TRP 19 5.273 -4.574 4.258 153 HE3 TRP 19 3HE TRP 19 5.738 -1.932 -0.365 154 HZ2 TRP 19 2HZ TRP 19 3.219 -2.678 3.872 155 HZ3 TRP 19 3HZ TRP 19 3.708 -0.645 0.153 156 HH2 TRP 19 HH TRP 19 2.474 -1.011 2.227 157 H GLN 20 H GLN 20 7.248 -5.240 -2.828 158 HA GLN 20 HA GLN 20 10.102 -5.242 -3.570 159 1HB GLN 20 2HB GLN 20 8.871 -7.286 -4.301 160 2HB GLN 20 1HB GLN 20 7.769 -6.263 -5.212 161 1HG GLN 20 2HG GLN 20 9.253 -7.021 -6.815 162 2HG GLN 20 1HG GLN 20 9.861 -5.416 -6.421 163 1HE2 GLN 20 1HE2 GLN 20 10.947 -6.463 -3.817 164 2HE2 GLN 20 2HE2 GLN 20 12.396 -7.293 -4.259 165 HA PRO 21 HA PRO 21 9.174 -1.175 -5.178 166 1HB PRO 21 2HB PRO 21 11.675 -1.511 -6.693 167 2HB PRO 21 1HB PRO 21 11.247 -0.290 -5.492 168 1HG PRO 21 2HG PRO 21 13.018 -2.240 -4.959 169 2HG PRO 21 1HG PRO 21 11.916 -1.606 -3.721 170 1HD PRO 21 2HD PRO 21 11.735 -4.142 -5.304 171 2HD PRO 21 1HD PRO 21 11.372 -3.855 -3.588 172 H VAL 22 H VAL 22 7.602 -1.157 -6.655 173 HA VAL 22 HA VAL 22 7.723 -2.770 -9.037 174 HB VAL 22 HB VAL 22 5.535 -1.585 -9.588 175 1HG1 VAL 22 1HG1 VAL 22 5.763 -3.154 -7.027 176 2HG1 VAL 22 2HG1 VAL 22 5.604 -3.813 -8.654 177 3HG1 VAL 22 3HG1 VAL 22 4.277 -2.899 -7.939 178 1HG2 VAL 22 1HG2 VAL 22 4.408 -0.467 -7.710 179 2HG2 VAL 22 2HG2 VAL 22 5.850 0.407 -8.225 180 3HG2 VAL 22 3HG2 VAL 22 5.891 -0.578 -6.761 181 H GLU 23 H GLU 23 6.655 -1.378 -11.022 182 HA GLU 23 HA GLU 23 8.422 0.898 -11.522 183 1HB GLU 23 2HB GLU 23 8.358 -1.600 -13.226 184 2HB GLU 23 1HB GLU 23 9.142 -0.096 -13.692 185 1HG GLU 23 2HG GLU 23 10.627 -0.295 -11.736 186 2HG GLU 23 1HG GLU 23 9.869 -1.837 -11.344 187 H ALA 24 H ALA 24 7.929 1.826 -13.768 188 HA ALA 24 HA ALA 24 5.156 2.492 -13.689 189 1HB ALA 24 1HB ALA 24 6.910 4.129 -14.192 190 2HB ALA 24 2HB ALA 24 5.676 4.066 -15.452 191 3HB ALA 24 3HB ALA 24 7.241 3.295 -15.711 192 H SER 25 H SER 25 7.116 1.254 -16.418 193 HA SER 25 HA SER 25 4.711 0.692 -17.907 194 1HB SER 25 2HB SER 25 7.572 0.011 -18.621 195 2HB SER 25 1HB SER 25 6.198 0.115 -19.723 196 HG SER 25 HG SER 25 7.856 2.022 -19.144 197 H THR 26 H THR 26 6.062 -0.893 -15.449 198 HA THR 26 HA THR 26 5.407 -3.543 -16.557 199 HB THR 26 HB THR 26 7.418 -3.152 -14.346 200 HG1 THR 26 1HG THR 26 9.010 -3.329 -16.124 201 1HG2 THR 26 1HG2 THR 26 6.567 -5.418 -14.739 202 2HG2 THR 26 2HG2 THR 26 8.274 -5.299 -15.167 203 3HG2 THR 26 3HG2 THR 26 7.045 -5.309 -16.433 204 H VAL 27 H VAL 27 4.144 -1.282 -14.721 205 HA VAL 27 HA VAL 27 3.737 -2.548 -12.207 206 HB VAL 27 HB VAL 27 3.514 -0.102 -12.490 207 1HG1 VAL 27 1HG1 VAL 27 0.982 -0.771 -13.980 208 2HG1 VAL 27 2HG1 VAL 27 2.418 0.015 -14.637 209 3HG1 VAL 27 3HG1 VAL 27 1.435 0.841 -13.426 210 1HG2 VAL 27 1HG2 VAL 27 1.017 -1.433 -11.466 211 2HG2 VAL 27 2HG2 VAL 27 1.562 0.198 -11.074 212 3HG2 VAL 27 3HG2 VAL 27 2.514 -1.197 -10.566 213 H ASP 28 H ASP 28 1.867 -2.427 -15.205 214 HA ASP 28 HA ASP 28 -0.352 -3.874 -14.081 215 1HB ASP 28 2HB ASP 28 -1.165 -3.957 -16.452 216 2HB ASP 28 1HB ASP 28 -0.842 -2.330 -15.859 217 H ASP 29 H ASP 29 2.606 -4.645 -15.715 218 HA ASP 29 HA ASP 29 1.946 -7.309 -16.438 219 1HB ASP 29 2HB ASP 29 3.905 -6.118 -17.372 220 2HB ASP 29 1HB ASP 29 4.670 -6.157 -15.786 221 H TRP 30 H TRP 30 3.352 -5.833 -13.551 222 HA TRP 30 HA TRP 30 3.783 -8.252 -12.142 223 1HB TRP 30 2HB TRP 30 4.870 -6.138 -11.484 224 2HB TRP 30 1HB TRP 30 3.302 -5.467 -11.050 225 HD1 TRP 30 HD TRP 30 5.625 -8.377 -9.948 226 HE1 TRP 30 1HE TRP 30 5.261 -8.767 -7.424 227 HE3 TRP 30 3HE TRP 30 1.863 -5.014 -9.115 228 HZ2 TRP 30 2HZ TRP 30 3.618 -7.785 -5.365 229 HZ3 TRP 30 3HZ TRP 30 0.953 -4.808 -6.837 230 HH2 TRP 30 HH TRP 30 1.811 -6.164 -5.005 231 H ILE 31 H ILE 31 1.072 -5.960 -12.224 232 HA ILE 31 HA ILE 31 -0.543 -7.227 -10.310 233 HB ILE 31 HB ILE 31 -1.377 -5.610 -12.720 234 1HG1 ILE 31 2HG1 ILE 31 0.034 -4.345 -11.222 235 2HG1 ILE 31 1HG1 ILE 31 -1.631 -3.799 -11.031 236 1HG2 ILE 31 1HG2 ILE 31 -3.496 -5.263 -11.531 237 2HG2 ILE 31 2HG2 ILE 31 -2.973 -6.396 -10.284 238 3HG2 ILE 31 3HG2 ILE 31 -3.237 -6.958 -11.935 239 1HD1 ILE 31 1HD1 ILE 31 -0.169 -5.687 -9.201 240 2HD1 ILE 31 2HD1 ILE 31 -1.837 -5.148 -9.009 241 3HD1 ILE 31 3HD1 ILE 31 -0.515 -3.986 -8.886 242 H LYS 32 H LYS 32 -0.361 -7.653 -13.818 243 HA LYS 32 HA LYS 32 -2.321 -9.685 -13.984 244 1HB LYS 32 2HB LYS 32 -1.771 -8.503 -15.959 245 2HB LYS 32 1HB LYS 32 -0.056 -8.796 -15.756 246 1HG LYS 32 2HG LYS 32 -1.749 -11.187 -16.119 247 2HG LYS 32 1HG LYS 32 -1.594 -10.109 -17.508 248 1HD LYS 32 2HD LYS 32 0.703 -11.312 -15.958 249 2HD LYS 32 1HD LYS 32 0.112 -11.882 -17.521 250 1HE LYS 32 2HE LYS 32 0.669 -9.724 -18.523 251 2HE LYS 32 1HE LYS 32 1.242 -9.139 -16.962 252 1HZ LYS 32 1HZ LYS 32 2.414 -11.333 -18.585 253 2HZ LYS 32 2HZ LYS 32 2.903 -10.954 -17.006 254 3HZ LYS 32 3HZ LYS 32 3.114 -9.820 -18.246 255 H ARG 33 H ARG 33 0.968 -9.686 -12.976 256 HA ARG 33 HA ARG 33 1.454 -12.496 -13.403 257 1HB ARG 33 2HB ARG 33 3.156 -10.583 -13.350 258 2HB ARG 33 1HB ARG 33 2.994 -10.635 -11.609 259 1HG ARG 33 2HG ARG 33 3.806 -12.906 -11.554 260 2HG ARG 33 1HG ARG 33 3.882 -12.946 -13.319 261 1HD ARG 33 2HD ARG 33 5.522 -11.137 -13.291 262 2HD ARG 33 1HD ARG 33 5.442 -11.083 -11.532 263 HE ARG 33 HE ARG 33 6.143 -13.652 -12.031 264 1HH1 ARG 33 1HH1 ARG 33 7.405 -10.578 -13.127 265 2HH1 ARG 33 2HH1 ARG 33 9.041 -11.140 -13.258 266 1HH2 ARG 33 1HH2 ARG 33 8.308 -14.404 -12.194 267 2HH2 ARG 33 2HH2 ARG 33 9.562 -13.311 -12.700 268 H VAL 34 H VAL 34 0.805 -10.384 -10.651 269 HA VAL 34 HA VAL 34 0.817 -12.649 -8.828 270 HB VAL 34 HB VAL 34 0.561 -11.016 -7.037 271 1HG1 VAL 34 1HG1 VAL 34 2.789 -11.531 -7.812 272 2HG1 VAL 34 2HG1 VAL 34 2.694 -9.832 -7.354 273 3HG1 VAL 34 3HG1 VAL 34 2.674 -10.288 -9.057 274 1HG2 VAL 34 1HG2 VAL 34 0.598 -8.605 -7.508 275 2HG2 VAL 34 2HG2 VAL 34 -0.860 -9.376 -8.130 276 3HG2 VAL 34 3HG2 VAL 34 0.449 -8.948 -9.233 277 H GLY 35 H GLY 35 -1.507 -10.439 -10.241 278 1HA GLY 35 2HA GLY 35 -3.763 -10.960 -10.615 279 2HA GLY 35 1HA GLY 35 -3.657 -12.213 -9.386 280 H ASP 36 H ASP 36 -2.857 -11.047 -7.188 281 HA ASP 36 HA ASP 36 -4.705 -8.818 -6.724 282 1HB ASP 36 2HB ASP 36 -4.449 -11.339 -5.070 283 2HB ASP 36 1HB ASP 36 -5.349 -9.913 -4.576 284 H GLY 37 H GLY 37 -3.630 -7.168 -5.935 285 1HA GLY 37 2HA GLY 37 -1.831 -7.380 -3.723 286 2HA GLY 37 1HA GLY 37 -0.963 -7.126 -5.231 287 H VAL 38 H VAL 38 -0.307 -5.110 -4.037 288 HA VAL 38 HA VAL 38 -2.090 -2.950 -4.806 289 HB VAL 38 HB VAL 38 -2.936 -3.308 -2.628 290 1HG1 VAL 38 1HG1 VAL 38 -1.166 -4.696 -1.712 291 2HG1 VAL 38 2HG1 VAL 38 -1.524 -3.365 -0.613 292 3HG1 VAL 38 3HG1 VAL 38 -0.088 -3.302 -1.636 293 1HG2 VAL 38 1HG2 VAL 38 -0.963 -1.040 -2.493 294 2HG2 VAL 38 2HG2 VAL 38 -2.363 -1.245 -1.441 295 3HG2 VAL 38 3HG2 VAL 38 -2.591 -0.969 -3.168 296 H ILE 39 H ILE 39 -1.097 -1.093 -5.256 297 HA ILE 39 HA ILE 39 1.819 -0.928 -4.827 298 HB ILE 39 HB ILE 39 0.105 0.300 -7.002 299 1HG1 ILE 39 2HG1 ILE 39 1.842 -0.683 -8.505 300 2HG1 ILE 39 1HG1 ILE 39 2.579 -1.458 -7.109 301 1HG2 ILE 39 1HG2 ILE 39 1.534 2.056 -6.167 302 2HG2 ILE 39 2HG2 ILE 39 2.101 1.528 -7.751 303 3HG2 ILE 39 3HG2 ILE 39 2.946 1.007 -6.293 304 1HD1 ILE 39 1HD1 ILE 39 -0.173 -1.947 -8.220 305 2HD1 ILE 39 2HD1 ILE 39 0.457 -2.676 -6.742 306 3HD1 ILE 39 3HD1 ILE 39 1.217 -3.033 -8.294 307 H LEU 40 H LEU 40 2.409 0.512 -3.315 308 HA LEU 40 HA LEU 40 0.499 2.597 -2.547 309 1HB LEU 40 2HB LEU 40 1.637 1.041 -0.865 310 2HB LEU 40 1HB LEU 40 3.108 1.937 -1.184 311 HG LEU 40 HG LEU 40 1.517 2.510 0.863 312 1HD1 LEU 40 1HD1 LEU 40 2.417 4.771 0.875 313 2HD1 LEU 40 2HD1 LEU 40 2.891 4.597 -0.818 314 3HD1 LEU 40 3HD1 LEU 40 3.638 3.584 0.419 315 1HD2 LEU 40 1HD2 LEU 40 0.065 4.422 0.346 316 2HD2 LEU 40 2HD2 LEU 40 -0.467 2.948 -0.463 317 3HD2 LEU 40 3HD2 LEU 40 0.388 4.193 -1.374 318 H LEU 41 H LEU 41 0.721 4.584 -3.308 319 HA LEU 41 HA LEU 41 3.154 5.181 -4.823 320 1HB LEU 41 2HB LEU 41 0.398 6.397 -4.933 321 2HB LEU 41 1HB LEU 41 1.759 6.985 -5.863 322 HG LEU 41 HG LEU 41 1.853 4.576 -6.823 323 1HD1 LEU 41 1HD1 LEU 41 0.296 3.562 -5.258 324 2HD1 LEU 41 2HD1 LEU 41 -0.316 3.461 -6.909 325 3HD1 LEU 41 3HD1 LEU 41 -0.978 4.657 -5.795 326 1HD2 LEU 41 1HD2 LEU 41 0.263 5.177 -8.562 327 2HD2 LEU 41 2HD2 LEU 41 1.248 6.566 -8.104 328 3HD2 LEU 41 3HD2 LEU 41 -0.415 6.433 -7.529 329 H SER 42 H SER 42 4.243 7.103 -4.667 330 HA SER 42 HA SER 42 4.971 9.099 -3.919 331 1HB SER 42 2HB SER 42 2.353 9.258 -2.422 332 2HB SER 42 1HB SER 42 3.476 10.593 -2.689 333 HG SER 42 HG SER 42 2.588 9.151 -4.913 334 H SER 43 H SER 43 6.365 9.706 -2.415 335 HA SER 43 HA SER 43 6.609 8.058 -0.024 336 1HB SER 43 2HB SER 43 8.837 9.269 0.138 337 2HB SER 43 1HB SER 43 8.628 8.260 -1.294 338 HG SER 43 HG SER 43 8.202 11.081 -1.185 339 H ASP 44 H ASP 44 5.217 10.912 -0.913 340 HA ASP 44 HA ASP 44 4.798 11.828 1.739 341 1HB ASP 44 2HB ASP 44 5.891 14.057 1.445 342 2HB ASP 44 1HB ASP 44 7.037 12.727 1.548 343 HA PRO 45 HA PRO 45 1.461 13.684 -0.511 344 1HB PRO 45 2HB PRO 45 0.677 15.356 1.646 345 2HB PRO 45 1HB PRO 45 0.078 13.740 1.280 346 1HG PRO 45 2HG PRO 45 1.589 14.450 3.517 347 2HG PRO 45 1HG PRO 45 1.315 12.803 2.927 348 1HD PRO 45 2HD PRO 45 3.679 14.584 2.558 349 2HD PRO 45 1HD PRO 45 3.608 12.817 2.743 350 H ARG 46 H ARG 46 0.372 16.141 -0.345 351 HA ARG 46 HA ARG 46 2.409 17.859 -1.471 352 1HB ARG 46 2HB ARG 46 -0.526 18.418 -0.990 353 2HB ARG 46 1HB ARG 46 0.562 19.361 -2.002 354 1HG ARG 46 2HG ARG 46 0.849 17.395 -3.468 355 2HG ARG 46 1HG ARG 46 -0.322 16.521 -2.481 356 1HD ARG 46 2HD ARG 46 -1.493 17.342 -4.367 357 2HD ARG 46 1HD ARG 46 -1.967 18.345 -2.998 358 HE ARG 46 HE ARG 46 0.226 19.438 -4.519 359 1HH1 ARG 46 1HH1 ARG 46 -3.259 19.225 -4.199 360 2HH1 ARG 46 2HH1 ARG 46 -3.569 20.660 -5.133 361 1HH2 ARG 46 1HH2 ARG 46 -0.168 21.318 -5.789 362 2HH2 ARG 46 2HH2 ARG 46 -1.807 21.836 -6.067 363 H ARG 47 H ARG 47 3.090 17.346 1.018 364 HA ARG 47 HA ARG 47 3.228 19.836 2.353 365 1HB ARG 47 2HB ARG 47 0.875 18.985 2.961 366 2HB ARG 47 1HB ARG 47 1.685 17.698 3.843 367 1HG ARG 47 2HG ARG 47 2.866 19.480 5.158 368 2HG ARG 47 1HG ARG 47 1.797 20.654 4.385 369 1HD ARG 47 2HD ARG 47 1.058 18.384 6.217 370 2HD ARG 47 1HD ARG 47 0.820 20.111 6.476 371 HE ARG 47 HE ARG 47 -0.665 18.499 4.497 372 1HH1 ARG 47 1HH1 ARG 47 -0.466 21.191 6.725 373 2HH1 ARG 47 2HH1 ARG 47 -2.116 21.673 6.493 374 1HH2 ARG 47 1HH2 ARG 47 -2.842 19.089 4.217 375 2HH2 ARG 47 2HH2 ARG 47 -3.485 20.459 5.076 376 H THR 48 H THR 48 4.746 19.652 4.163 377 HA THR 48 HA THR 48 6.694 17.653 3.867 378 HB THR 48 HB THR 48 7.310 19.763 4.850 379 HG1 THR 48 1HG THR 48 8.703 18.874 6.201 380 1HG2 THR 48 1HG2 THR 48 5.468 19.050 7.134 381 2HG2 THR 48 2HG2 THR 48 5.226 20.341 5.960 382 3HG2 THR 48 3HG2 THR 48 6.566 20.429 7.102 383 HA PRO 49 HA PRO 49 4.758 14.304 6.024 384 1HB PRO 49 2HB PRO 49 7.368 13.014 6.152 385 2HB PRO 49 1HB PRO 49 5.960 12.576 5.184 386 1HG PRO 49 2HG PRO 49 8.238 13.565 4.101 387 2HG PRO 49 1HG PRO 49 6.636 13.834 3.390 388 1HD PRO 49 2HD PRO 49 8.294 15.677 5.079 389 2HD PRO 49 1HD PRO 49 7.322 16.038 3.635 390 H GLU 50 H GLU 50 7.060 16.349 7.314 391 HA GLU 50 HA GLU 50 7.649 16.937 9.411 392 1HB GLU 50 2HB GLU 50 5.184 16.635 9.788 393 2HB GLU 50 1HB GLU 50 5.533 15.015 10.375 394 1HG GLU 50 2HG GLU 50 6.698 15.834 12.246 395 2HG GLU 50 1HG GLU 50 6.784 17.462 11.576 396 H VAL 51 H VAL 51 6.739 13.620 10.303 397 HA VAL 51 HA VAL 51 9.261 13.132 11.528 398 HB VAL 51 HB VAL 51 7.251 11.977 12.300 399 1HG1 VAL 51 1HG1 VAL 51 6.257 10.139 10.999 400 2HG1 VAL 51 2HG1 VAL 51 7.298 10.554 9.638 401 3HG1 VAL 51 3HG1 VAL 51 6.076 11.697 10.197 402 1HG2 VAL 51 1HG2 VAL 51 8.159 9.737 12.525 403 2HG2 VAL 51 2HG2 VAL 51 9.434 10.943 12.698 404 3HG2 VAL 51 3HG2 VAL 51 9.276 10.037 11.194 405 H SER 52 H SER 52 7.836 12.346 8.428 406 HA SER 52 HA SER 52 8.708 11.762 6.423 407 1HB SER 52 2HB SER 52 11.266 12.908 7.551 408 2HB SER 52 1HB SER 52 10.848 12.740 5.846 409 HG SER 52 HG SER 52 10.020 14.614 7.704 410 H ASP 53 H ASP 53 8.465 9.502 7.668 411 HA ASP 53 HA ASP 53 10.688 8.016 6.590 412 1HB ASP 53 2HB ASP 53 11.365 8.394 8.970 413 2HB ASP 53 1HB ASP 53 9.910 7.537 9.475 414 H ASN 54 H ASN 54 9.326 7.138 5.118 415 HA ASN 54 HA ASN 54 8.055 5.488 4.242 416 1HB ASN 54 2HB ASN 54 8.184 4.363 7.041 417 2HB ASN 54 1HB ASN 54 7.520 3.503 5.656 418 1HD2 ASN 54 1HD2 ASN 54 10.388 4.646 7.228 419 2HD2 ASN 54 2HD2 ASN 54 11.512 3.814 6.205 420 HA PRO 55 HA PRO 55 4.054 7.196 5.547 421 1HB PRO 55 2HB PRO 55 3.215 7.954 3.143 422 2HB PRO 55 1HB PRO 55 4.482 8.868 3.972 423 1HG PRO 55 2HG PRO 55 4.734 6.843 1.781 424 2HG PRO 55 1HG PRO 55 5.563 8.399 1.965 425 1HD PRO 55 2HD PRO 55 6.641 5.944 2.657 426 2HD PRO 55 1HD PRO 55 7.174 7.504 3.318 427 H VAL 56 H VAL 56 4.542 4.400 5.330 428 HA VAL 56 HA VAL 56 2.574 3.449 3.400 429 HB VAL 56 HB VAL 56 3.361 1.158 4.085 430 1HG1 VAL 56 1HG1 VAL 56 4.076 2.250 2.020 431 2HG1 VAL 56 2HG1 VAL 56 5.381 1.284 2.707 432 3HG1 VAL 56 3HG1 VAL 56 5.394 3.039 2.887 433 1HG2 VAL 56 1HG2 VAL 56 4.376 1.713 6.233 434 2HG2 VAL 56 2HG2 VAL 56 5.550 2.754 5.427 435 3HG2 VAL 56 3HG2 VAL 56 5.583 1.013 5.151 436 H MET 57 H MET 57 0.599 3.551 4.098 437 HA MET 57 HA MET 57 -0.095 3.081 6.870 438 1HB MET 57 2HB MET 57 -1.235 4.821 5.521 439 2HB MET 57 1HB MET 57 -1.874 3.570 4.466 440 1HG MET 57 2HG MET 57 -3.114 2.623 6.354 441 2HG MET 57 1HG MET 57 -2.478 3.893 7.399 442 1HE MET 57 1HE MET 57 -4.075 7.098 5.797 443 2HE MET 57 2HE MET 57 -2.531 6.385 5.336 444 3HE MET 57 3HE MET 57 -2.986 6.476 7.038 445 H ILE 58 H ILE 58 0.169 1.345 3.969 446 HA ILE 58 HA ILE 58 -1.776 -0.638 4.310 447 HB ILE 58 HB ILE 58 0.799 -0.603 2.735 448 1HG1 ILE 58 2HG1 ILE 58 -0.849 -0.656 0.818 449 2HG1 ILE 58 1HG1 ILE 58 -2.130 -0.429 2.000 450 1HG2 ILE 58 1HG2 ILE 58 -1.269 -2.803 2.790 451 2HG2 ILE 58 2HG2 ILE 58 0.402 -2.918 3.340 452 3HG2 ILE 58 3HG2 ILE 58 0.053 -2.670 1.631 453 1HD1 ILE 58 1HD1 ILE 58 0.127 1.479 1.452 454 2HD1 ILE 58 2HD1 ILE 58 -1.145 1.705 2.654 455 3HD1 ILE 58 3HD1 ILE 58 -1.549 1.660 0.938 456 H ALA 59 H ALA 59 1.390 -0.234 5.673 457 HA ALA 59 HA ALA 59 2.061 -2.830 6.396 458 1HB ALA 59 1HB ALA 59 2.593 -0.307 7.964 459 2HB ALA 59 2HB ALA 59 3.574 -0.914 6.629 460 3HB ALA 59 3HB ALA 59 3.454 -1.838 8.128 461 H GLU 60 H GLU 60 0.191 -0.446 8.254 462 HA GLU 60 HA GLU 60 -0.428 -2.291 10.357 463 1HB GLU 60 2HB GLU 60 -0.309 0.276 10.501 464 2HB GLU 60 1HB GLU 60 -1.905 0.272 9.758 465 1HG GLU 60 2HG GLU 60 -2.251 0.454 12.078 466 2HG GLU 60 1HG GLU 60 -2.651 -1.209 11.654 467 H LEU 61 H LEU 61 -2.152 -0.909 7.609 468 HA LEU 61 HA LEU 61 -4.701 -1.899 7.986 469 1HB LEU 61 2HB LEU 61 -3.113 -0.854 5.790 470 2HB LEU 61 1HB LEU 61 -4.287 -2.028 5.243 471 HG LEU 61 HG LEU 61 -5.075 0.326 5.116 472 1HD1 LEU 61 1HD1 LEU 61 -7.261 -0.079 6.148 473 2HD1 LEU 61 2HD1 LEU 61 -6.587 -1.462 7.011 474 3HD1 LEU 61 3HD1 LEU 61 -6.679 -1.482 5.250 475 1HD2 LEU 61 1HD2 LEU 61 -5.678 1.491 7.171 476 2HD2 LEU 61 2HD2 LEU 61 -3.943 1.180 7.104 477 3HD2 LEU 61 3HD2 LEU 61 -4.976 0.182 8.127 478 H LEU 62 H LEU 62 -1.959 -3.447 6.405 479 HA LEU 62 HA LEU 62 -3.139 -5.584 5.173 480 1HB LEU 62 2HB LEU 62 -0.767 -5.011 4.988 481 2HB LEU 62 1HB LEU 62 -0.497 -5.558 6.630 482 HG LEU 62 HG LEU 62 -1.141 -7.858 5.922 483 1HD1 LEU 62 1HD1 LEU 62 -1.117 -6.636 3.164 484 2HD1 LEU 62 2HD1 LEU 62 -2.527 -7.279 4.006 485 3HD1 LEU 62 3HD1 LEU 62 -1.220 -8.360 3.524 486 1HD2 LEU 62 1HD2 LEU 62 0.939 -8.324 4.738 487 2HD2 LEU 62 2HD2 LEU 62 1.205 -7.170 6.045 488 3HD2 LEU 62 3HD2 LEU 62 1.128 -6.609 4.375 489 H ARG 63 H ARG 63 -2.065 -5.492 8.581 490 HA ARG 63 HA ARG 63 -2.952 -8.238 8.915 491 1HB ARG 63 2HB ARG 63 -1.996 -8.012 11.208 492 2HB ARG 63 1HB ARG 63 -0.846 -7.747 9.907 493 1HG ARG 63 2HG ARG 63 -1.002 -5.344 10.230 494 2HG ARG 63 1HG ARG 63 -2.200 -5.581 11.505 495 1HD ARG 63 2HD ARG 63 -0.598 -6.726 12.875 496 2HD ARG 63 1HD ARG 63 0.586 -6.720 11.571 497 HE ARG 63 HE ARG 63 -0.089 -4.069 12.111 498 1HH1 ARG 63 1HH1 ARG 63 1.365 -6.756 13.812 499 2HH1 ARG 63 2HH1 ARG 63 2.487 -5.763 14.694 500 1HH2 ARG 63 1HH2 ARG 63 1.366 -2.761 13.250 501 2HH2 ARG 63 2HH2 ARG 63 2.493 -3.479 14.364 502 H GLU 64 H GLU 64 -4.552 -5.415 8.947 503 HA GLU 64 HA GLU 64 -6.421 -6.410 10.999 504 1HB GLU 64 2HB GLU 64 -5.278 -4.237 11.577 505 2HB GLU 64 1HB GLU 64 -6.078 -3.514 10.188 506 1HG GLU 64 2HG GLU 64 -7.272 -2.987 12.223 507 2HG GLU 64 1HG GLU 64 -8.256 -4.018 11.187 508 H PHE 65 H PHE 65 -5.947 -6.336 7.834 509 HA PHE 65 HA PHE 65 -8.488 -5.330 6.924 510 1HB PHE 65 2HB PHE 65 -6.101 -5.642 5.669 511 2HB PHE 65 1HB PHE 65 -6.911 -7.108 5.146 512 HD1 PHE 65 1HD PHE 65 -7.768 -3.505 5.572 513 HD2 PHE 65 2HD PHE 65 -7.973 -6.977 3.121 514 HE1 PHE 65 1HE PHE 65 -8.962 -2.213 3.853 515 HE2 PHE 65 2HE PHE 65 -9.172 -5.693 1.397 516 HZ PHE 65 HZ PHE 65 -9.666 -3.307 1.764 517 HA PRO 66 HA PRO 66 -10.423 -9.164 8.138 518 1HB PRO 66 2HB PRO 66 -12.962 -8.429 7.564 519 2HB PRO 66 1HB PRO 66 -12.100 -7.833 8.987 520 1HG PRO 66 2HG PRO 66 -12.539 -6.499 6.345 521 2HG PRO 66 1HG PRO 66 -12.673 -5.819 7.978 522 1HD PRO 66 2HD PRO 66 -10.491 -5.449 6.407 523 2HD PRO 66 1HD PRO 66 -10.399 -5.525 8.177 524 H GLN 67 H GLN 67 -10.291 -7.795 5.022 525 HA GLN 67 HA GLN 67 -11.894 -9.723 3.658 526 1HB GLN 67 2HB GLN 67 -10.004 -7.559 2.836 527 2HB GLN 67 1HB GLN 67 -10.463 -8.776 1.654 528 1HG GLN 67 2HG GLN 67 -12.422 -7.104 3.207 529 2HG GLN 67 1HG GLN 67 -11.834 -6.711 1.591 530 1HE2 GLN 67 1HE2 GLN 67 -14.536 -7.289 2.505 531 2HE2 GLN 67 2HE2 GLN 67 -15.089 -8.619 1.552 532 H PHE 68 H PHE 68 -8.366 -9.156 3.507 533 HA PHE 68 HA PHE 68 -7.731 -11.922 3.631 534 1HB PHE 68 2HB PHE 68 -6.842 -11.965 1.210 535 2HB PHE 68 1HB PHE 68 -8.569 -12.183 1.458 536 HD1 PHE 68 1HD PHE 68 -6.428 -9.098 1.283 537 HD2 PHE 68 2HD PHE 68 -9.693 -11.315 -0.339 538 HE1 PHE 68 1HE PHE 68 -6.898 -7.265 -0.286 539 HE2 PHE 68 2HE PHE 68 -10.163 -9.477 -1.904 540 HZ PHE 68 HZ PHE 68 -8.765 -7.447 -1.880 541 H ASP 69 H ASP 69 -5.414 -12.244 2.692 542 HA ASP 69 HA ASP 69 -3.801 -9.851 3.223 543 1HB ASP 69 2HB ASP 69 -1.909 -11.355 3.648 544 2HB ASP 69 1HB ASP 69 -3.251 -11.713 4.723 545 H TRP 70 H TRP 70 -2.289 -9.233 1.675 546 HA TRP 70 HA TRP 70 -2.498 -10.513 -0.914 547 1HB TRP 70 2HB TRP 70 -3.063 -8.206 -1.928 548 2HB TRP 70 1HB TRP 70 -4.354 -9.154 -1.217 549 HD1 TRP 70 HD TRP 70 -3.599 -8.116 1.884 550 HE1 TRP 70 1HE TRP 70 -4.425 -5.778 2.539 551 HE3 TRP 70 3HE TRP 70 -4.325 -6.165 -2.791 552 HZ2 TRP 70 2HZ TRP 70 -5.288 -3.433 1.271 553 HZ3 TRP 70 3HZ TRP 70 -5.168 -3.861 -2.974 554 HH2 TRP 70 HH TRP 70 -5.640 -2.524 -0.988 555 H GLN 71 H GLN 71 -1.110 -9.445 -2.561 556 HA GLN 71 HA GLN 71 1.484 -9.297 -1.338 557 1HB GLN 71 2HB GLN 71 0.695 -9.208 -4.260 558 2HB GLN 71 1HB GLN 71 2.320 -9.456 -3.634 559 1HG GLN 71 2HG GLN 71 1.802 -11.561 -2.764 560 2HG GLN 71 1HG GLN 71 0.069 -11.276 -2.872 561 1HE2 GLN 71 1HE2 GLN 71 -0.965 -11.496 -4.853 562 2HE2 GLN 71 2HE2 GLN 71 -0.237 -12.349 -6.167 563 H VAL 72 H VAL 72 2.351 -7.519 -0.663 564 HA VAL 72 HA VAL 72 1.304 -4.958 -1.551 565 HB VAL 72 HB VAL 72 2.593 -4.051 0.394 566 1HG1 VAL 72 1HG1 VAL 72 0.680 -6.310 0.991 567 2HG1 VAL 72 2HG1 VAL 72 0.236 -4.646 0.613 568 3HG1 VAL 72 3HG1 VAL 72 1.109 -5.010 2.103 569 1HG2 VAL 72 1HG2 VAL 72 3.503 -5.631 2.033 570 2HG2 VAL 72 2HG2 VAL 72 4.339 -5.769 0.486 571 3HG2 VAL 72 3HG2 VAL 72 3.135 -6.971 0.948 572 H ALA 73 H ALA 73 2.474 -3.378 -2.523 573 HA ALA 73 HA ALA 73 5.354 -3.727 -2.882 574 1HB ALA 73 1HB ALA 73 4.282 -4.751 -4.843 575 2HB ALA 73 2HB ALA 73 5.223 -3.323 -5.266 576 3HB ALA 73 3HB ALA 73 3.465 -3.223 -5.180 577 H VAL 74 H VAL 74 6.460 -1.783 -3.366 578 HA VAL 74 HA VAL 74 4.935 0.702 -3.311 579 HB VAL 74 HB VAL 74 5.405 0.087 -0.930 580 1HG1 VAL 74 1HG1 VAL 74 7.681 0.261 -0.071 581 2HG1 VAL 74 2HG1 VAL 74 8.291 0.470 -1.713 582 3HG1 VAL 74 3HG1 VAL 74 7.532 -1.051 -1.240 583 1HG2 VAL 74 1HG2 VAL 74 6.771 2.574 -1.949 584 2HG2 VAL 74 2HG2 VAL 74 6.306 2.279 -0.273 585 3HG2 VAL 74 3HG2 VAL 74 5.068 2.405 -1.523 586 H ALA 75 H ALA 75 6.277 2.561 -3.891 587 HA ALA 75 HA ALA 75 8.691 1.774 -5.390 588 1HB ALA 75 1HB ALA 75 6.751 4.018 -5.959 589 2HB ALA 75 2HB ALA 75 6.905 2.512 -6.865 590 3HB ALA 75 3HB ALA 75 8.223 3.683 -6.871 591 H ASP 76 H ASP 76 10.236 3.707 -5.667 592 HA ASP 76 HA ASP 76 11.037 4.633 -3.118 593 1HB ASP 76 2HB ASP 76 11.846 5.674 -5.845 594 2HB ASP 76 1HB ASP 76 12.666 6.041 -4.333 595 H LEU 77 H LEU 77 10.085 6.593 -5.918 596 HA LEU 77 HA LEU 77 8.044 8.017 -4.627 597 1HB LEU 77 2HB LEU 77 9.000 10.164 -4.218 598 2HB LEU 77 1HB LEU 77 9.953 8.982 -3.348 599 HG LEU 77 HG LEU 77 10.828 10.057 -6.023 600 1HD1 LEU 77 1HD1 LEU 77 10.501 11.963 -4.555 601 2HD1 LEU 77 2HD1 LEU 77 12.222 11.654 -4.791 602 3HD1 LEU 77 3HD1 LEU 77 11.437 11.169 -3.288 603 1HD2 LEU 77 1HD2 LEU 77 13.042 9.395 -5.227 604 2HD2 LEU 77 2HD2 LEU 77 11.934 8.023 -5.229 605 3HD2 LEU 77 3HD2 LEU 77 12.336 8.831 -3.714 606 H GLU 78 H GLU 78 10.626 8.209 -7.019 607 HA GLU 78 HA GLU 78 9.387 10.076 -8.721 608 1HB GLU 78 2HB GLU 78 11.802 9.555 -8.717 609 2HB GLU 78 1HB GLU 78 11.438 7.980 -9.403 610 1HG GLU 78 2HG GLU 78 10.538 9.038 -11.395 611 2HG GLU 78 1HG GLU 78 10.865 10.628 -10.706 612 H GLN 79 H GLN 79 9.324 6.565 -8.602 613 HA GLN 79 HA GLN 79 8.163 6.087 -11.104 614 1HB GLN 79 2HB GLN 79 7.832 4.441 -8.590 615 2HB GLN 79 1HB GLN 79 7.524 3.896 -10.229 616 1HG GLN 79 2HG GLN 79 9.581 3.020 -9.963 617 2HG GLN 79 1HG GLN 79 10.056 4.617 -10.535 618 1HE2 GLN 79 1HE2 GLN 79 11.465 2.692 -8.861 619 2HE2 GLN 79 2HE2 GLN 79 11.877 3.530 -7.400 620 H SER 80 H SER 80 6.768 7.188 -8.129 621 HA SER 80 HA SER 80 4.167 6.282 -8.289 622 1HB SER 80 2HB SER 80 5.129 7.491 -6.355 623 2HB SER 80 1HB SER 80 5.076 8.988 -7.285 624 HG SER 80 HG SER 80 2.672 8.021 -7.456 625 H GLU 81 H GLU 81 5.647 8.998 -9.989 626 HA GLU 81 HA GLU 81 3.168 10.087 -10.889 627 1HB GLU 81 2HB GLU 81 5.277 11.403 -10.734 628 2HB GLU 81 1HB GLU 81 5.917 10.471 -12.082 629 1HG GLU 81 2HG GLU 81 4.242 11.344 -13.559 630 2HG GLU 81 1HG GLU 81 3.424 12.152 -12.222 631 H ALA 82 H ALA 82 5.712 8.223 -12.548 632 HA ALA 82 HA ALA 82 4.310 7.965 -14.973 633 1HB ALA 82 1HB ALA 82 6.496 6.207 -13.880 634 2HB ALA 82 2HB ALA 82 6.734 7.705 -14.781 635 3HB ALA 82 3HB ALA 82 5.984 6.313 -15.563 636 H ILE 83 H ILE 83 4.511 5.831 -12.138 637 HA ILE 83 HA ILE 83 3.073 3.659 -13.191 638 HB ILE 83 HB ILE 83 3.272 4.644 -10.339 639 1HG1 ILE 83 2HG1 ILE 83 4.625 2.358 -11.790 640 2HG1 ILE 83 1HG1 ILE 83 5.380 3.887 -11.357 641 1HG2 ILE 83 1HG2 ILE 83 1.229 3.349 -10.581 642 2HG2 ILE 83 2HG2 ILE 83 2.430 2.437 -9.664 643 3HG2 ILE 83 3HG2 ILE 83 2.129 2.046 -11.358 644 1HD1 ILE 83 1HD1 ILE 83 4.318 1.833 -9.429 645 2HD1 ILE 83 2HD1 ILE 83 5.084 3.361 -8.992 646 3HD1 ILE 83 3HD1 ILE 83 6.013 2.115 -9.823 647 H GLY 84 H GLY 84 1.975 6.548 -11.460 648 1HA GLY 84 2HA GLY 84 -0.788 5.871 -11.609 649 2HA GLY 84 1HA GLY 84 -0.126 7.458 -11.241 650 H ASP 85 H ASP 85 1.435 7.466 -13.759 651 HA ASP 85 HA ASP 85 -0.503 8.763 -15.395 652 1HB ASP 85 2HB ASP 85 1.979 9.299 -15.197 653 2HB ASP 85 1HB ASP 85 2.260 7.924 -16.253 654 H ARG 86 H ARG 86 0.965 5.636 -15.318 655 HA ARG 86 HA ARG 86 0.490 4.467 -17.723 656 1HB ARG 86 2HB ARG 86 1.393 3.402 -15.618 657 2HB ARG 86 1HB ARG 86 -0.266 3.196 -15.084 658 1HG ARG 86 2HG ARG 86 0.442 1.126 -15.969 659 2HG ARG 86 1HG ARG 86 -0.662 1.832 -17.148 660 1HD ARG 86 2HD ARG 86 1.100 2.412 -18.604 661 2HD ARG 86 1HD ARG 86 2.322 2.156 -17.358 662 HE ARG 86 HE ARG 86 1.258 -0.298 -17.587 663 1HH1 ARG 86 1HH1 ARG 86 2.458 1.951 -20.001 664 2HH1 ARG 86 2HH1 ARG 86 2.892 0.693 -21.123 665 1HH2 ARG 86 1HH2 ARG 86 1.843 -1.926 -19.026 666 2HH2 ARG 86 2HH2 ARG 86 2.521 -1.515 -20.579 667 H PHE 87 H PHE 87 -1.935 5.169 -15.241 668 HA PHE 87 HA PHE 87 -4.007 4.686 -17.269 669 1HB PHE 87 2HB PHE 87 -5.393 5.116 -14.926 670 2HB PHE 87 1HB PHE 87 -5.024 3.545 -15.624 671 HD1 PHE 87 1HD PHE 87 -4.280 5.900 -12.954 672 HD2 PHE 87 2HD PHE 87 -3.209 2.180 -14.726 673 HE1 PHE 87 1HE PHE 87 -3.039 5.290 -10.922 674 HE2 PHE 87 2HE PHE 87 -1.962 1.568 -12.697 675 HZ PHE 87 HZ PHE 87 -1.876 3.122 -10.792 676 H ASN 88 H ASN 88 -3.918 6.812 -14.416 677 HA ASN 88 HA ASN 88 -3.208 9.178 -15.478 678 1HB ASN 88 2HB ASN 88 -5.246 8.819 -17.014 679 2HB ASN 88 1HB ASN 88 -6.220 9.160 -15.588 680 1HD2 ASN 88 1HD2 ASN 88 -6.092 10.645 -18.037 681 2HD2 ASN 88 2HD2 ASN 88 -5.546 12.242 -17.640 682 H VAL 89 H VAL 89 -2.520 8.795 -13.250 683 HA VAL 89 HA VAL 89 -4.266 10.284 -11.425 684 HB VAL 89 HB VAL 89 -2.840 7.722 -10.662 685 1HG1 VAL 89 1HG1 VAL 89 -3.764 8.076 -8.423 686 2HG1 VAL 89 2HG1 VAL 89 -4.403 9.636 -8.937 687 3HG1 VAL 89 3HG1 VAL 89 -2.659 9.372 -8.886 688 1HG2 VAL 89 1HG2 VAL 89 -5.786 8.379 -10.686 689 2HG2 VAL 89 2HG2 VAL 89 -5.067 6.872 -10.119 690 3HG2 VAL 89 3HG2 VAL 89 -4.953 7.318 -11.823 691 H ARG 90 H ARG 90 -1.092 8.795 -11.855 692 HA ARG 90 HA ARG 90 1.025 9.525 -11.591 693 1HB ARG 90 2HB ARG 90 -0.301 12.234 -11.452 694 2HB ARG 90 1HB ARG 90 1.444 11.999 -11.450 695 1HG ARG 90 2HG ARG 90 1.300 10.903 -13.629 696 2HG ARG 90 1HG ARG 90 -0.449 11.140 -13.633 697 1HD ARG 90 2HD ARG 90 -0.132 13.553 -13.608 698 2HD ARG 90 1HD ARG 90 1.618 13.334 -13.542 699 HE ARG 90 HE ARG 90 0.802 11.957 -15.781 700 1HH1 ARG 90 1HH1 ARG 90 0.526 15.286 -14.670 701 2HH1 ARG 90 2HH1 ARG 90 0.574 15.938 -16.282 702 1HH2 ARG 90 1HH2 ARG 90 0.845 12.825 -17.862 703 2HH2 ARG 90 2HH2 ARG 90 0.730 14.545 -18.091 704 H ARG 91 H ARG 91 1.934 11.683 -9.829 705 HA ARG 91 HA ARG 91 2.001 10.010 -7.517 706 1HB ARG 91 2HB ARG 91 3.327 12.278 -6.732 707 2HB ARG 91 1HB ARG 91 4.050 10.862 -7.475 708 1HG ARG 91 2HG ARG 91 4.886 12.706 -8.654 709 2HG ARG 91 1HG ARG 91 3.663 11.993 -9.701 710 1HD ARG 91 2HD ARG 91 2.074 13.702 -9.062 711 2HD ARG 91 1HD ARG 91 3.224 14.373 -7.906 712 HE ARG 91 HE ARG 91 4.184 14.253 -10.636 713 1HH1 ARG 91 1HH1 ARG 91 2.466 16.189 -8.256 714 2HH1 ARG 91 2HH1 ARG 91 2.909 17.693 -9.007 715 1HH2 ARG 91 1HH2 ARG 91 4.735 16.205 -11.605 716 2HH2 ARG 91 2HH2 ARG 91 4.195 17.712 -10.910 717 H PHE 92 H PHE 92 -0.016 9.982 -6.683 718 HA PHE 92 HA PHE 92 -0.495 12.217 -4.852 719 1HB PHE 92 2HB PHE 92 -2.527 10.760 -6.533 720 2HB PHE 92 1HB PHE 92 -2.986 11.504 -5.006 721 HD1 PHE 92 1HD PHE 92 -2.007 12.095 -8.465 722 HD2 PHE 92 2HD PHE 92 -2.955 13.917 -4.740 723 HE1 PHE 92 1HE PHE 92 -2.300 14.258 -9.600 724 HE2 PHE 92 2HE PHE 92 -3.251 16.084 -5.869 725 HZ PHE 92 HZ PHE 92 -2.923 16.255 -8.302 726 HA PRO 93 HA PRO 93 0.199 8.847 -2.046 727 1HB PRO 93 2HB PRO 93 -0.691 10.148 0.213 728 2HB PRO 93 1HB PRO 93 0.933 10.309 -0.459 729 1HG PRO 93 2HG PRO 93 -1.424 12.117 -0.749 730 2HG PRO 93 1HG PRO 93 0.290 12.527 -0.545 731 1HD PRO 93 2HD PRO 93 -0.935 12.658 -2.943 732 2HD PRO 93 1HD PRO 93 0.768 12.184 -2.779 733 H ALA 94 H ALA 94 -1.279 7.324 -2.603 734 HA ALA 94 HA ALA 94 -3.633 7.118 -0.967 735 1HB ALA 94 1HB ALA 94 -5.214 6.858 -2.816 736 2HB ALA 94 2HB ALA 94 -3.940 7.258 -3.969 737 3HB ALA 94 3HB ALA 94 -4.499 8.469 -2.817 738 H THR 95 H THR 95 -4.784 4.977 -1.508 739 HA THR 95 HA THR 95 -2.694 2.999 -2.146 740 HB THR 95 HB THR 95 -5.169 2.663 -0.434 741 HG1 THR 95 1HG THR 95 -3.091 3.974 0.215 742 1HG2 THR 95 1HG2 THR 95 -4.443 0.574 -1.474 743 2HG2 THR 95 2HG2 THR 95 -4.129 0.551 0.262 744 3HG2 THR 95 3HG2 THR 95 -2.806 0.829 -0.873 745 H LEU 96 H LEU 96 -2.980 2.035 -4.079 746 HA LEU 96 HA LEU 96 -5.664 1.975 -5.237 747 1HB LEU 96 2HB LEU 96 -2.992 1.331 -6.490 748 2HB LEU 96 1HB LEU 96 -4.529 1.377 -7.322 749 HG LEU 96 HG LEU 96 -3.154 3.742 -6.055 750 1HD1 LEU 96 1HD1 LEU 96 -3.582 2.981 -8.938 751 2HD1 LEU 96 2HD1 LEU 96 -2.041 3.000 -8.077 752 3HD1 LEU 96 3HD1 LEU 96 -2.908 4.509 -8.373 753 1HD2 LEU 96 1HD2 LEU 96 -5.690 3.616 -7.680 754 2HD2 LEU 96 2HD2 LEU 96 -4.919 5.074 -7.056 755 3HD2 LEU 96 3HD2 LEU 96 -5.603 3.892 -5.940 756 H VAL 97 H VAL 97 -6.820 0.185 -5.281 757 HA VAL 97 HA VAL 97 -5.628 -2.272 -4.254 758 HB VAL 97 HB VAL 97 -8.525 -1.585 -4.779 759 1HG1 VAL 97 1HG1 VAL 97 -8.094 -3.996 -4.926 760 2HG1 VAL 97 2HG1 VAL 97 -9.047 -3.596 -3.498 761 3HG1 VAL 97 3HG1 VAL 97 -7.328 -3.954 -3.339 762 1HG2 VAL 97 1HG2 VAL 97 -6.948 -1.696 -2.211 763 2HG2 VAL 97 2HG2 VAL 97 -8.690 -1.442 -2.336 764 3HG2 VAL 97 3HG2 VAL 97 -7.576 -0.245 -2.992 765 H PHE 98 H PHE 98 -4.904 -3.740 -5.609 766 HA PHE 98 HA PHE 98 -6.146 -3.956 -8.268 767 1HB PHE 98 2HB PHE 98 -3.345 -4.664 -7.378 768 2HB PHE 98 1HB PHE 98 -3.996 -4.981 -8.980 769 HD1 PHE 98 1HD PHE 98 -2.897 -2.360 -6.649 770 HD2 PHE 98 2HD PHE 98 -4.192 -3.257 -10.602 771 HE1 PHE 98 1HE PHE 98 -2.140 -0.143 -7.404 772 HE2 PHE 98 2HE PHE 98 -3.443 -1.042 -11.353 773 HZ PHE 98 HZ PHE 98 -2.421 0.518 -9.760 774 H THR 99 H THR 99 -7.598 -5.557 -8.143 775 HA THR 99 HA THR 99 -6.640 -8.172 -7.240 776 HB THR 99 HB THR 99 -8.824 -8.726 -6.267 777 HG1 THR 99 1HG THR 99 -10.303 -7.447 -7.223 778 1HG2 THR 99 1HG2 THR 99 -7.682 -6.193 -5.085 779 2HG2 THR 99 2HG2 THR 99 -7.111 -7.831 -4.770 780 3HG2 THR 99 3HG2 THR 99 -8.724 -7.343 -4.249 781 H ASP 100 H ASP 100 -8.104 -9.930 -8.158 782 HA ASP 100 HA ASP 100 -9.131 -10.947 -9.923 783 1HB ASP 100 2HB ASP 100 -10.033 -8.131 -10.568 784 2HB ASP 100 1HB ASP 100 -10.549 -9.551 -11.459 785 H GLY 101 H GLY 101 -6.468 -9.324 -10.036 786 1HA GLY 101 2HA GLY 101 -4.745 -9.382 -11.589 787 2HA GLY 101 1HA GLY 101 -5.882 -9.955 -12.798 788 H LYS 102 H LYS 102 -7.128 -7.228 -11.216 789 HA LYS 102 HA LYS 102 -5.877 -5.358 -13.099 790 1HB LYS 102 2HB LYS 102 -8.829 -5.931 -12.926 791 2HB LYS 102 1HB LYS 102 -8.180 -4.472 -13.653 792 1HG LYS 102 2HG LYS 102 -6.898 -5.928 -15.231 793 2HG LYS 102 1HG LYS 102 -7.774 -7.308 -14.566 794 1HD LYS 102 2HD LYS 102 -8.815 -6.507 -16.628 795 2HD LYS 102 1HD LYS 102 -9.894 -6.292 -15.247 796 1HE LYS 102 2HE LYS 102 -9.275 -3.949 -15.108 797 2HE LYS 102 1HE LYS 102 -8.138 -4.150 -16.439 798 1HZ LYS 102 1HZ LYS 102 -11.058 -4.627 -16.666 799 2HZ LYS 102 2HZ LYS 102 -9.922 -4.586 -17.929 800 3HZ LYS 102 3HZ LYS 102 -10.297 -3.169 -17.078 801 H LEU 103 H LEU 103 -6.791 -3.083 -12.726 802 HA LEU 103 HA LEU 103 -6.654 -2.445 -9.919 803 1HB LEU 103 2HB LEU 103 -5.576 -0.986 -11.541 804 2HB LEU 103 1HB LEU 103 -7.099 -0.723 -12.362 805 HG LEU 103 HG LEU 103 -7.957 0.476 -10.402 806 1HD1 LEU 103 1HD1 LEU 103 -5.201 0.053 -9.262 807 2HD1 LEU 103 2HD1 LEU 103 -6.694 -0.673 -8.667 808 3HD1 LEU 103 3HD1 LEU 103 -6.462 1.073 -8.567 809 1HD2 LEU 103 1HD2 LEU 103 -6.859 1.725 -12.176 810 2HD2 LEU 103 2HD2 LEU 103 -5.297 1.486 -11.393 811 3HD2 LEU 103 3HD2 LEU 103 -6.537 2.461 -10.606 812 H ARG 104 H ARG 104 -8.326 -2.151 -8.582 813 HA ARG 104 HA ARG 104 -11.012 -2.318 -9.769 814 1HB ARG 104 2HB ARG 104 -10.048 -3.001 -6.989 815 2HB ARG 104 1HB ARG 104 -11.710 -3.148 -7.544 816 1HG ARG 104 2HG ARG 104 -9.492 -4.562 -8.966 817 2HG ARG 104 1HG ARG 104 -10.208 -5.238 -7.503 818 1HD ARG 104 2HD ARG 104 -11.240 -6.147 -9.532 819 2HD ARG 104 1HD ARG 104 -12.397 -5.249 -8.554 820 HE ARG 104 HE ARG 104 -11.296 -3.550 -10.516 821 1HH1 ARG 104 1HH1 ARG 104 -13.418 -6.297 -10.218 822 2HH1 ARG 104 2HH1 ARG 104 -14.408 -5.865 -11.576 823 1HH2 ARG 104 1HH2 ARG 104 -12.594 -2.935 -12.306 824 2HH2 ARG 104 2HH2 ARG 104 -13.945 -3.939 -12.767 825 H GLY 105 H GLY 105 -9.190 -0.642 -7.203 826 1HA GLY 105 2HA GLY 105 -10.528 1.813 -7.656 827 2HA GLY 105 1HA GLY 105 -11.253 0.989 -6.285 828 H ALA 106 H ALA 106 -10.509 2.926 -5.128 829 HA ALA 106 HA ALA 106 -7.730 2.602 -4.245 830 1HB ALA 106 1HB ALA 106 -9.016 5.253 -4.891 831 2HB ALA 106 2HB ALA 106 -7.794 4.437 -5.867 832 3HB ALA 106 3HB ALA 106 -7.391 5.007 -4.248 833 H LEU 107 H LEU 107 -7.319 3.146 -2.120 834 HA LEU 107 HA LEU 107 -9.698 3.674 -0.451 835 1HB LEU 107 2HB LEU 107 -7.419 1.796 -0.130 836 2HB LEU 107 1HB LEU 107 -7.977 2.604 1.320 837 HG LEU 107 HG LEU 107 -8.990 0.391 1.065 838 1HD1 LEU 107 1HD1 LEU 107 -11.325 1.049 1.347 839 2HD1 LEU 107 2HD1 LEU 107 -10.947 2.650 0.708 840 3HD1 LEU 107 3HD1 LEU 107 -10.235 2.116 2.230 841 1HD2 LEU 107 1HD2 LEU 107 -9.002 0.202 -1.353 842 2HD2 LEU 107 2HD2 LEU 107 -10.176 1.511 -1.470 843 3HD2 LEU 107 3HD2 LEU 107 -10.633 -0.016 -0.718 844 H SER 108 H SER 108 -9.344 4.979 1.454 845 HA SER 108 HA SER 108 -7.079 6.821 1.109 846 1HB SER 108 2HB SER 108 -9.762 7.346 2.412 847 2HB SER 108 1HB SER 108 -8.468 8.526 2.198 848 HG SER 108 HG SER 108 -9.431 7.145 -0.044 849 H GLY 109 H GLY 109 -9.261 5.781 3.755 850 1HA GLY 109 2HA GLY 109 -8.707 4.857 5.810 851 2HA GLY 109 1HA GLY 109 -7.011 4.885 5.342 852 H ILE 110 H ILE 110 -6.046 7.083 5.199 853 HA ILE 110 HA ILE 110 -5.389 9.036 6.140 854 HB ILE 110 HB ILE 110 -8.208 9.317 7.196 855 1HG1 ILE 110 2HG1 ILE 110 -7.052 10.377 4.603 856 2HG1 ILE 110 1HG1 ILE 110 -8.105 8.970 4.713 857 1HG2 ILE 110 1HG2 ILE 110 -6.057 11.360 6.646 858 2HG2 ILE 110 2HG2 ILE 110 -6.574 10.808 8.239 859 3HG2 ILE 110 3HG2 ILE 110 -7.690 11.712 7.213 860 1HD1 ILE 110 1HD1 ILE 110 -9.331 10.947 4.020 861 2HD1 ILE 110 2HD1 ILE 110 -8.830 11.784 5.490 862 3HD1 ILE 110 3HD1 ILE 110 -9.891 10.378 5.596 863 H HIS 111 H HIS 111 -7.780 7.938 8.548 864 HA HIS 111 HA HIS 111 -5.699 7.178 10.398 865 1HB HIS 111 2HB HIS 111 -7.383 9.628 10.898 866 2HB HIS 111 1HB HIS 111 -6.710 8.691 12.230 867 HD1 HIS 111 1HD HIS 111 -5.976 11.563 10.300 868 HD2 HIS 111 2HD HIS 111 -3.712 8.387 11.754 869 HE1 HIS 111 1HE HIS 111 -3.582 12.350 10.254 870 HE2 HIS 111 2HE HIS 111 -2.270 10.491 11.343 871 HA PRO 112 HA PRO 112 -9.828 5.735 12.151 872 1HB PRO 112 2HB PRO 112 -12.155 6.979 11.234 873 2HB PRO 112 1HB PRO 112 -11.288 7.372 12.717 874 1HG PRO 112 2HG PRO 112 -11.585 9.007 10.426 875 2HG PRO 112 1HG PRO 112 -10.563 9.320 11.837 876 1HD PRO 112 2HD PRO 112 -9.832 8.231 9.172 877 2HD PRO 112 1HD PRO 112 -8.855 9.172 10.318 878 H TRP 113 H TRP 113 -11.117 3.993 11.622 879 HA TRP 113 HA TRP 113 -10.991 3.093 8.886 880 1HB TRP 113 2HB TRP 113 -10.763 1.775 11.176 881 2HB TRP 113 1HB TRP 113 -12.509 1.637 11.018 882 HD1 TRP 113 HD TRP 113 -13.329 0.473 8.566 883 HE1 TRP 113 1HE TRP 113 -12.260 -1.535 7.358 884 HE3 TRP 113 3HE TRP 113 -8.710 0.553 10.760 885 HZ2 TRP 113 2HZ TRP 113 -9.791 -2.907 7.337 886 HZ3 TRP 113 3HZ TRP 113 -7.055 -1.141 10.094 887 HH2 TRP 113 HH TRP 113 -7.581 -2.832 8.417 888 H ALA 114 H ALA 114 -12.596 5.395 9.185 889 HA ALA 114 HA ALA 114 -15.364 4.662 9.502 890 1HB ALA 114 1HB ALA 114 -14.522 6.838 10.262 891 2HB ALA 114 2HB ALA 114 -15.835 7.004 9.098 892 3HB ALA 114 3HB ALA 114 -14.167 7.274 8.590 893 H GLU 115 H GLU 115 -13.311 5.740 6.793 894 HA GLU 115 HA GLU 115 -15.547 5.192 4.992 895 1HB GLU 115 2HB GLU 115 -13.869 6.232 3.271 896 2HB GLU 115 1HB GLU 115 -14.781 7.260 4.364 897 1HG GLU 115 2HG GLU 115 -12.473 7.984 4.178 898 2HG GLU 115 1HG GLU 115 -12.841 7.457 5.818 899 H LEU 116 H LEU 116 -12.465 3.978 5.946 900 HA LEU 116 HA LEU 116 -11.757 2.337 3.849 901 1HB LEU 116 2HB LEU 116 -11.572 1.951 6.824 902 2HB LEU 116 1HB LEU 116 -10.969 0.737 5.712 903 HG LEU 116 HG LEU 116 -10.026 3.603 5.711 904 1HD1 LEU 116 1HD1 LEU 116 -9.481 2.564 7.847 905 2HD1 LEU 116 2HD1 LEU 116 -8.034 2.775 6.861 906 3HD1 LEU 116 3HD1 LEU 116 -8.776 1.182 7.005 907 1HD2 LEU 116 1HD2 LEU 116 -8.938 1.086 4.444 908 2HD2 LEU 116 2HD2 LEU 116 -8.159 2.669 4.416 909 3HD2 LEU 116 3HD2 LEU 116 -9.705 2.432 3.602 910 H LEU 117 H LEU 117 -14.103 1.678 6.422 911 HA LEU 117 HA LEU 117 -14.741 -0.947 5.619 912 1HB LEU 117 2HB LEU 117 -15.328 0.516 7.777 913 2HB LEU 117 1HB LEU 117 -16.816 0.773 6.890 914 HG LEU 117 HG LEU 117 -17.015 -1.052 8.519 915 1HD1 LEU 117 1HD1 LEU 117 -17.145 -1.989 5.661 916 2HD1 LEU 117 2HD1 LEU 117 -18.408 -1.123 6.534 917 3HD1 LEU 117 3HD1 LEU 117 -17.950 -2.751 7.034 918 1HD2 LEU 117 1HD2 LEU 117 -14.718 -1.830 8.521 919 2HD2 LEU 117 2HD2 LEU 117 -14.891 -2.403 6.863 920 3HD2 LEU 117 3HD2 LEU 117 -15.819 -3.159 8.158 921 H THR 118 H THR 118 -16.168 2.195 4.839 922 HA THR 118 HA THR 118 -18.318 1.206 3.295 923 HB THR 118 HB THR 118 -17.008 3.918 3.036 924 HG1 THR 118 1HG THR 118 -18.661 4.498 4.635 925 1HG2 THR 118 1HG2 THR 118 -18.653 3.412 1.297 926 2HG2 THR 118 2HG2 THR 118 -19.266 4.648 2.396 927 3HG2 THR 118 3HG2 THR 118 -19.837 2.986 2.531 928 H LEU 119 H LEU 119 -15.164 2.580 2.347 929 HA LEU 119 HA LEU 119 -15.607 2.335 -0.433 930 1HB LEU 119 2HB LEU 119 -13.019 2.518 1.107 931 2HB LEU 119 1HB LEU 119 -13.160 2.679 -0.630 932 HG LEU 119 HG LEU 119 -14.382 4.539 1.411 933 1HD1 LEU 119 1HD1 LEU 119 -11.973 4.768 1.306 934 2HD1 LEU 119 2HD1 LEU 119 -12.749 6.156 0.541 935 3HD1 LEU 119 3HD1 LEU 119 -12.037 4.885 -0.453 936 1HD2 LEU 119 1HD2 LEU 119 -15.743 4.359 -0.611 937 2HD2 LEU 119 2HD2 LEU 119 -14.326 4.712 -1.600 938 3HD2 LEU 119 3HD2 LEU 119 -14.961 5.935 -0.500 939 H MET 120 H MET 120 -13.945 0.261 1.911 940 HA MET 120 HA MET 120 -12.968 -1.685 0.173 941 1HB MET 120 2HB MET 120 -12.409 -1.645 2.558 942 2HB MET 120 1HB MET 120 -14.070 -2.046 2.968 943 1HG MET 120 2HG MET 120 -13.783 -4.193 1.746 944 2HG MET 120 1HG MET 120 -12.080 -3.788 1.536 945 1HE MET 120 1HE MET 120 -14.927 -4.693 4.055 946 2HE MET 120 2HE MET 120 -14.423 -3.108 4.641 947 3HE MET 120 3HE MET 120 -14.110 -4.548 5.611 948 H ARG 121 H ARG 121 -16.156 -1.312 1.624 949 HA ARG 121 HA ARG 121 -17.259 -3.762 0.830 950 1HB ARG 121 2HB ARG 121 -18.200 -2.002 2.452 951 2HB ARG 121 1HB ARG 121 -18.817 -1.187 1.021 952 1HG ARG 121 2HG ARG 121 -20.586 -2.491 1.890 953 2HG ARG 121 1HG ARG 121 -20.007 -3.319 0.441 954 1HD ARG 121 2HD ARG 121 -18.615 -4.771 1.902 955 2HD ARG 121 1HD ARG 121 -19.366 -4.011 3.303 956 HE ARG 121 HE ARG 121 -20.690 -5.774 1.354 957 1HH1 ARG 121 1HH1 ARG 121 -20.775 -3.978 4.371 958 2HH1 ARG 121 2HH1 ARG 121 -22.123 -4.867 5.019 959 1HH2 ARG 121 1HH2 ARG 121 -22.450 -6.956 2.203 960 2HH2 ARG 121 2HH2 ARG 121 -23.073 -6.572 3.783 961 H SER 122 H SER 122 -17.026 -0.666 -0.830 962 HA SER 122 HA SER 122 -18.684 -1.464 -3.026 963 1HB SER 122 2HB SER 122 -18.469 0.896 -2.306 964 2HB SER 122 1HB SER 122 -16.777 0.878 -2.796 965 HG SER 122 HG SER 122 -18.022 1.762 -4.446 966 H ILE 123 H ILE 123 -15.199 -1.146 -2.489 967 HA ILE 123 HA ILE 123 -14.524 -1.723 -5.211 968 HB ILE 123 HB ILE 123 -12.766 -1.698 -2.753 969 1HG1 ILE 123 2HG1 ILE 123 -13.800 0.468 -3.114 970 2HG1 ILE 123 1HG1 ILE 123 -12.099 0.553 -3.555 971 1HG2 ILE 123 1HG2 ILE 123 -11.727 -2.966 -4.527 972 2HG2 ILE 123 2HG2 ILE 123 -10.908 -1.415 -4.346 973 3HG2 ILE 123 3HG2 ILE 123 -12.037 -1.665 -5.678 974 1HD1 ILE 123 1HD1 ILE 123 -13.458 1.760 -5.144 975 2HD1 ILE 123 2HD1 ILE 123 -14.418 0.313 -5.454 976 3HD1 ILE 123 3HD1 ILE 123 -12.717 0.358 -5.917 977 H VAL 124 H VAL 124 -14.289 -3.543 -2.165 978 HA VAL 124 HA VAL 124 -14.295 -6.019 -3.718 979 HB VAL 124 HB VAL 124 -12.626 -6.961 -1.992 980 1HG1 VAL 124 1HG1 VAL 124 -11.680 -4.986 -4.069 981 2HG1 VAL 124 2HG1 VAL 124 -12.088 -6.678 -4.350 982 3HG1 VAL 124 3HG1 VAL 124 -10.701 -6.262 -3.344 983 1HG2 VAL 124 1HG2 VAL 124 -11.021 -5.356 -1.086 984 2HG2 VAL 124 2HG2 VAL 124 -12.644 -5.052 -0.462 985 3HG2 VAL 124 3HG2 VAL 124 -11.979 -4.023 -1.732 986 H ASP 125 H ASP 125 -16.521 -5.910 -3.019 987 HA ASP 125 HA ASP 125 -17.410 -5.957 -0.384 988 1HB ASP 125 2HB ASP 125 -18.900 -5.753 -2.342 989 2HB ASP 125 1HB ASP 125 -18.590 -7.439 -2.745 990 H THR 126 H THR 126 -16.924 -8.735 -2.518 991 HA THR 126 HA THR 126 -16.628 -10.965 -2.086 992 HB THR 126 HB THR 126 -14.416 -9.892 -0.334 993 HG1 THR 126 1HG THR 126 -13.540 -9.076 -2.082 994 1HG2 THR 126 1HG2 THR 126 -14.617 -12.319 -2.132 995 2HG2 THR 126 2HG2 THR 126 -14.625 -12.328 -0.368 996 3HG2 THR 126 3HG2 THR 126 -13.178 -11.823 -1.243 997 HA PRO 127 HA PRO 127 -18.609 -11.241 2.065 998 1HB PRO 127 2HB PRO 127 -20.757 -12.690 1.318 999 2HB PRO 127 1HB PRO 127 -20.704 -10.932 1.147 1000 1HG PRO 127 2HG PRO 127 -20.279 -13.050 -0.918 1001 2HG PRO 127 1HG PRO 127 -21.155 -11.514 -1.052 1002 1HD PRO 127 2HD PRO 127 -18.602 -11.906 -1.968 1003 2HD PRO 127 1HD PRO 127 -19.246 -10.328 -1.482 1004 H ALA 128 H ALA 128 -17.535 -13.451 -0.320 1005 HA ALA 128 HA ALA 128 -16.676 -15.544 -0.293 1006 1HB ALA 128 1HB ALA 128 -15.481 -14.846 1.735 1007 2HB ALA 128 2HB ALA 128 -15.937 -16.550 1.791 1008 3HB ALA 128 3HB ALA 128 -16.856 -15.362 2.714 1009 H ALA 129 H ALA 129 -18.936 -15.496 2.418 1010 HA ALA 129 HA ALA 129 -20.981 -16.854 0.955 1011 1HB ALA 129 1HB ALA 129 -19.582 -18.793 1.545 1012 2HB ALA 129 2HB ALA 129 -21.132 -18.838 2.387 1013 3HB ALA 129 3HB ALA 129 -19.675 -18.338 3.244 1014 H GLN 130 H GLN 130 -20.490 -17.273 4.389 1015 HA GLN 130 HA GLN 130 -21.770 -14.763 5.072 1016 1HB GLN 130 2HB GLN 130 -23.015 -17.450 5.626 1017 2HB GLN 130 1HB GLN 130 -23.331 -16.068 6.668 1018 1HG GLN 130 2HG GLN 130 -24.267 -14.834 4.824 1019 2HG GLN 130 1HG GLN 130 -23.830 -16.121 3.701 1020 1HE2 GLN 130 1HE2 GLN 130 -25.025 -17.999 3.651 1021 2HE2 GLN 130 2HE2 GLN 130 -26.583 -18.126 4.404 1022 H GLU 131 H GLU 131 -20.834 -13.951 6.865 1023 HA GLU 131 HA GLU 131 -18.806 -15.614 8.129 1024 1HB GLU 131 2HB GLU 131 -18.207 -13.354 7.304 1025 2HB GLU 131 1HB GLU 131 -19.341 -12.655 8.452 1026 1HG GLU 131 2HG GLU 131 -17.045 -12.511 9.251 1027 2HG GLU 131 1HG GLU 131 -18.036 -13.517 10.307 1028 H THR 132 H THR 132 -18.612 -15.877 10.364 1029 HA THR 132 HA THR 132 -21.190 -15.956 11.717 1030 HB THR 132 HB THR 132 -18.545 -17.081 12.651 1031 HG1 THR 132 1HG THR 132 -18.863 -18.408 11.025 1032 1HG2 THR 132 1HG2 THR 132 -20.223 -16.812 14.412 1033 2HG2 THR 132 2HG2 THR 132 -19.939 -18.516 14.059 1034 3HG2 THR 132 3HG2 THR 132 -21.389 -17.718 13.446 1035 H VAL 133 H VAL 133 -21.751 -14.309 12.965 1036 HA VAL 133 HA VAL 133 -19.678 -12.954 14.540 1037 HB VAL 133 HB VAL 133 -21.420 -11.220 15.008 1038 1HG1 VAL 133 1HG1 VAL 133 -19.755 -10.865 13.275 1039 2HG1 VAL 133 2HG1 VAL 133 -21.300 -10.163 12.796 1040 3HG1 VAL 133 3HG1 VAL 133 -20.775 -11.695 12.099 1041 1HG2 VAL 133 1HG2 VAL 133 -22.995 -12.682 12.887 1042 2HG2 VAL 133 2HG2 VAL 133 -23.425 -11.135 13.616 1043 3HG2 VAL 133 3HG2 VAL 133 -23.404 -12.598 14.600 1044 H GLN 134 H GLN 134 -19.657 -13.156 16.705 1045 HA GLN 134 HA GLN 134 -21.036 -15.369 17.807 1046 1HB GLN 134 2HB GLN 134 -19.237 -13.277 19.000 1047 2HB GLN 134 1HB GLN 134 -20.007 -14.501 19.997 1048 1HG GLN 134 2HG GLN 134 -17.772 -15.193 19.473 1049 2HG GLN 134 1HG GLN 134 -18.914 -16.252 18.650 1050 1HE2 GLN 134 1HE2 GLN 134 -16.574 -13.709 18.270 1051 2HE2 GLN 134 2HE2 GLN 134 -16.361 -13.884 16.558 Start of MODEL 10 1 1H MET 1 1HT MET 1 13.597 6.041 19.981 2 2H MET 1 2HT MET 1 12.958 6.244 18.422 3 3H MET 1 3HT MET 1 13.504 7.587 19.299 4 HA MET 1 HA MET 1 15.734 6.930 19.163 5 1HB MET 1 2HB MET 1 16.416 4.878 17.986 6 2HB MET 1 1HB MET 1 15.463 4.527 19.419 7 1HG MET 1 2HG MET 1 13.544 4.006 18.093 8 2HG MET 1 1HG MET 1 14.339 4.582 16.630 9 1HE MET 1 1HE MET 1 13.989 0.650 16.221 10 2HE MET 1 2HE MET 1 13.643 2.198 15.454 11 3HE MET 1 3HE MET 1 12.873 1.780 16.988 12 H ALA 2 H ALA 2 17.098 6.927 17.160 13 HA ALA 2 HA ALA 2 17.640 7.801 15.145 14 1HB ALA 2 1HB ALA 2 16.109 6.124 14.200 15 2HB ALA 2 2HB ALA 2 16.129 7.614 13.256 16 3HB ALA 2 3HB ALA 2 14.779 7.276 14.338 17 H ASN 3 H ASN 3 14.270 8.905 15.350 18 HA ASN 3 HA ASN 3 13.318 10.964 15.417 19 1HB ASN 3 2HB ASN 3 15.902 11.711 16.808 20 2HB ASN 3 1HB ASN 3 14.448 12.707 16.776 21 1HD2 ASN 3 1HD2 ASN 3 15.888 11.495 19.039 22 2HD2 ASN 3 2HD2 ASN 3 14.725 10.518 19.864 23 H ASP 4 H ASP 4 15.002 10.177 13.155 24 HA ASP 4 HA ASP 4 15.148 12.736 11.829 25 1HB ASP 4 2HB ASP 4 17.361 12.689 12.795 26 2HB ASP 4 1HB ASP 4 17.606 11.028 12.268 27 H THR 5 H THR 5 15.304 12.509 9.525 28 HA THR 5 HA THR 5 14.587 9.816 8.584 29 HB THR 5 HB THR 5 13.619 11.167 6.596 30 HG1 THR 5 1HG THR 5 12.909 13.269 8.056 31 1HG2 THR 5 1HG2 THR 5 12.316 11.314 9.320 32 2HG2 THR 5 2HG2 THR 5 12.239 9.946 8.208 33 3HG2 THR 5 3HG2 THR 5 11.486 11.480 7.771 34 HA PRO 6 HA PRO 6 18.516 10.641 6.441 35 1HB PRO 6 2HB PRO 6 19.736 8.342 7.014 36 2HB PRO 6 1HB PRO 6 19.530 9.596 8.242 37 1HG PRO 6 2HG PRO 6 18.087 7.023 7.907 38 2HG PRO 6 1HG PRO 6 18.466 7.917 9.388 39 1HD PRO 6 2HD PRO 6 16.011 7.918 7.953 40 2HD PRO 6 1HD PRO 6 16.445 8.934 9.341 41 H PHE 7 H PHE 7 15.928 8.760 5.677 42 HA PHE 7 HA PHE 7 15.259 7.522 3.893 43 1HB PHE 7 2HB PHE 7 17.724 8.680 2.568 44 2HB PHE 7 1HB PHE 7 16.397 7.876 1.737 45 HD1 PHE 7 1HD PHE 7 17.594 10.955 3.178 46 HD2 PHE 7 2HD PHE 7 14.145 8.948 1.707 47 HE1 PHE 7 1HE PHE 7 16.439 13.115 2.957 48 HE2 PHE 7 2HE PHE 7 12.980 11.106 1.487 49 HZ PHE 7 HZ PHE 7 14.126 13.192 2.110 50 H SER 8 H SER 8 16.562 6.025 1.993 51 HA SER 8 HA SER 8 17.644 4.089 1.580 52 1HB SER 8 2HB SER 8 19.508 5.051 3.757 53 2HB SER 8 1HB SER 8 19.851 3.736 2.633 54 HG SER 8 HG SER 8 19.569 5.302 0.923 55 H ALA 9 H ALA 9 18.363 4.142 5.054 56 HA ALA 9 HA ALA 9 17.839 1.419 5.438 57 1HB ALA 9 1HB ALA 9 17.964 1.907 7.819 58 2HB ALA 9 2HB ALA 9 17.814 3.633 7.486 59 3HB ALA 9 3HB ALA 9 19.240 2.750 6.940 60 H LEU 10 H LEU 10 15.749 4.190 5.526 61 HA LEU 10 HA LEU 10 13.587 3.154 6.970 62 1HB LEU 10 2HB LEU 10 13.835 5.525 6.329 63 2HB LEU 10 1HB LEU 10 13.542 5.095 4.654 64 HG LEU 10 HG LEU 10 11.264 4.338 5.274 65 1HD1 LEU 10 1HD1 LEU 10 10.358 4.968 7.459 66 2HD1 LEU 10 2HD1 LEU 10 11.966 5.478 7.975 67 3HD1 LEU 10 3HD1 LEU 10 11.654 3.782 7.604 68 1HD2 LEU 10 1HD2 LEU 10 11.606 6.576 4.403 69 2HD2 LEU 10 2HD2 LEU 10 11.945 7.178 6.026 70 3HD2 LEU 10 3HD2 LEU 10 10.334 6.579 5.625 71 H TRP 11 H TRP 11 14.434 2.904 3.553 72 HA TRP 11 HA TRP 11 12.041 1.641 2.704 73 1HB TRP 11 2HB TRP 11 13.738 2.803 1.231 74 2HB TRP 11 1HB TRP 11 14.779 1.399 1.437 75 HD1 TRP 11 HD TRP 11 13.864 -0.953 0.344 76 HE1 TRP 11 1HE TRP 11 12.346 -1.345 -1.698 77 HE3 TRP 11 3HE TRP 11 11.823 3.720 -0.087 78 HZ2 TRP 11 2HZ TRP 11 10.547 0.120 -3.285 79 HZ3 TRP 11 3HZ TRP 11 10.216 4.133 -1.898 80 HH2 TRP 11 HH TRP 11 9.594 2.365 -3.469 81 H GLN 12 H GLN 12 15.206 0.454 3.737 82 HA GLN 12 HA GLN 12 14.831 -2.270 3.228 83 1HB GLN 12 2HB GLN 12 17.020 -1.289 3.774 84 2HB GLN 12 1HB GLN 12 16.472 -0.985 5.418 85 1HG GLN 12 2HG GLN 12 16.073 -3.495 5.577 86 2HG GLN 12 1HG GLN 12 17.013 -3.619 4.089 87 1HE2 GLN 12 1HE2 GLN 12 19.213 -3.169 4.132 88 2HE2 GLN 12 2HE2 GLN 12 20.101 -3.082 5.614 89 H ARG 13 H ARG 13 13.895 -0.293 5.982 90 HA ARG 13 HA ARG 13 13.280 -2.401 7.756 91 1HB ARG 13 2HB ARG 13 12.135 0.397 7.659 92 2HB ARG 13 1HB ARG 13 11.974 -0.722 9.007 93 1HG ARG 13 2HG ARG 13 14.545 0.458 7.963 94 2HG ARG 13 1HG ARG 13 13.720 0.891 9.461 95 1HD ARG 13 2HD ARG 13 14.135 -1.273 10.392 96 2HD ARG 13 1HD ARG 13 14.731 -1.879 8.849 97 HE ARG 13 HE ARG 13 16.416 0.163 9.386 98 1HH1 ARG 13 1HH1 ARG 13 15.386 -2.626 11.227 99 2HH1 ARG 13 2HH1 ARG 13 16.883 -2.770 12.089 100 1HH2 ARG 13 1HH2 ARG 13 18.396 -0.030 10.523 101 2HH2 ARG 13 2HH2 ARG 13 18.585 -1.291 11.710 102 H LEU 14 H LEU 14 11.513 -0.945 5.142 103 HA LEU 14 HA LEU 14 8.945 -1.975 5.799 104 1HB LEU 14 2HB LEU 14 10.088 -1.246 3.095 105 2HB LEU 14 1HB LEU 14 8.389 -1.497 3.452 106 HG LEU 14 HG LEU 14 10.106 0.707 4.599 107 1HD1 LEU 14 1HD1 LEU 14 9.659 1.012 2.221 108 2HD1 LEU 14 2HD1 LEU 14 8.765 2.183 3.191 109 3HD1 LEU 14 3HD1 LEU 14 7.933 0.784 2.511 110 1HD2 LEU 14 1HD2 LEU 14 8.349 -0.008 6.136 111 2HD2 LEU 14 2HD2 LEU 14 7.148 0.167 4.856 112 3HD2 LEU 14 3HD2 LEU 14 7.995 1.586 5.471 113 H LEU 15 H LEU 15 11.630 -3.124 3.822 114 HA LEU 15 HA LEU 15 10.413 -5.410 2.767 115 1HB LEU 15 2HB LEU 15 13.248 -4.588 3.204 116 2HB LEU 15 1HB LEU 15 12.905 -6.238 2.725 117 HG LEU 15 HG LEU 15 11.745 -5.384 0.707 118 1HD1 LEU 15 1HD1 LEU 15 12.777 -2.705 1.610 119 2HD1 LEU 15 2HD1 LEU 15 11.087 -3.198 1.542 120 3HD1 LEU 15 3HD1 LEU 15 12.023 -3.052 0.054 121 1HD2 LEU 15 1HD2 LEU 15 13.762 -4.729 -0.491 122 2HD2 LEU 15 2HD2 LEU 15 14.094 -6.054 0.625 123 3HD2 LEU 15 3HD2 LEU 15 14.577 -4.409 1.038 124 H THR 16 H THR 16 11.748 -4.817 5.914 125 HA THR 16 HA THR 16 12.159 -7.479 6.733 126 HB THR 16 HB THR 16 11.333 -5.133 8.459 127 HG1 THR 16 1HG THR 16 13.600 -5.621 7.030 128 1HG2 THR 16 1HG2 THR 16 11.187 -7.321 9.580 129 2HG2 THR 16 2HG2 THR 16 12.483 -6.330 10.248 130 3HG2 THR 16 3HG2 THR 16 12.864 -7.648 9.139 131 H ARG 17 H ARG 17 9.295 -5.398 6.747 132 HA ARG 17 HA ARG 17 7.588 -7.441 7.871 133 1HB ARG 17 2HB ARG 17 7.139 -4.709 6.710 134 2HB ARG 17 1HB ARG 17 5.778 -5.792 6.950 135 1HG ARG 17 2HG ARG 17 7.672 -4.893 9.112 136 2HG ARG 17 1HG ARG 17 6.079 -4.203 8.798 137 1HD ARG 17 2HD ARG 17 5.300 -6.696 9.017 138 2HD ARG 17 1HD ARG 17 6.807 -6.871 9.915 139 HE ARG 17 HE ARG 17 4.779 -4.856 10.661 140 1HH1 ARG 17 1HH1 ARG 17 6.938 -7.480 11.533 141 2HH1 ARG 17 2HH1 ARG 17 6.508 -7.430 13.211 142 1HH2 ARG 17 1HH2 ARG 17 4.202 -4.812 12.849 143 2HH2 ARG 17 2HH2 ARG 17 4.955 -5.929 13.962 144 H GLY 18 H GLY 18 8.371 -6.140 4.712 145 1HA GLY 18 2HA GLY 18 8.085 -8.311 3.144 146 2HA GLY 18 1HA GLY 18 6.420 -7.761 3.324 147 H TRP 19 H TRP 19 5.718 -6.278 1.947 148 HA TRP 19 HA TRP 19 5.607 -4.577 0.463 149 1HB TRP 19 2HB TRP 19 8.173 -3.732 1.787 150 2HB TRP 19 1HB TRP 19 7.253 -2.743 0.667 151 HD1 TRP 19 HD TRP 19 6.375 -4.634 3.970 152 HE1 TRP 19 1HE TRP 19 4.938 -3.055 5.410 153 HE3 TRP 19 3HE TRP 19 6.177 -0.613 0.819 154 HZ2 TRP 19 2HZ TRP 19 3.868 -0.449 5.238 155 HZ3 TRP 19 3HZ TRP 19 4.924 1.382 1.532 156 HH2 TRP 19 HH TRP 19 3.795 1.461 3.694 157 H GLN 20 H GLN 20 5.766 -5.215 -1.534 158 HA GLN 20 HA GLN 20 8.355 -6.004 -2.637 159 1HB GLN 20 2HB GLN 20 6.551 -7.517 -3.152 160 2HB GLN 20 1HB GLN 20 5.540 -6.197 -3.723 161 1HG GLN 20 2HG GLN 20 6.438 -7.514 -5.562 162 2HG GLN 20 1HG GLN 20 7.010 -5.848 -5.615 163 1HE2 GLN 20 1HE2 GLN 20 8.816 -6.272 -6.801 164 2HE2 GLN 20 2HE2 GLN 20 10.160 -7.178 -6.203 165 HA PRO 21 HA PRO 21 8.591 -1.812 -4.258 166 1HB PRO 21 2HB PRO 21 11.160 -2.661 -5.344 167 2HB PRO 21 1HB PRO 21 10.818 -1.425 -4.141 168 1HG PRO 21 2HG PRO 21 12.044 -3.771 -3.540 169 2HG PRO 21 1HG PRO 21 11.044 -2.873 -2.385 170 1HD PRO 21 2HD PRO 21 10.372 -5.300 -3.990 171 2HD PRO 21 1HD PRO 21 9.909 -4.880 -2.327 172 H VAL 22 H VAL 22 7.275 -1.607 -5.970 173 HA VAL 22 HA VAL 22 7.673 -3.309 -8.305 174 HB VAL 22 HB VAL 22 5.593 -2.129 -9.167 175 1HG1 VAL 22 1HG1 VAL 22 4.092 -3.472 -7.753 176 2HG1 VAL 22 2HG1 VAL 22 5.414 -3.720 -6.613 177 3HG1 VAL 22 3HG1 VAL 22 5.525 -4.372 -8.248 178 1HG2 VAL 22 1HG2 VAL 22 4.177 -1.052 -7.469 179 2HG2 VAL 22 2HG2 VAL 22 5.672 -0.159 -7.748 180 3HG2 VAL 22 3HG2 VAL 22 5.501 -1.165 -6.311 181 H GLU 23 H GLU 23 6.915 -1.821 -10.377 182 HA GLU 23 HA GLU 23 8.815 0.401 -10.495 183 1HB GLU 23 2HB GLU 23 8.954 -1.995 -12.338 184 2HB GLU 23 1HB GLU 23 9.914 -0.531 -12.486 185 1HG GLU 23 2HG GLU 23 10.988 -1.023 -10.348 186 2HG GLU 23 1HG GLU 23 10.024 -2.493 -10.206 187 H ALA 24 H ALA 24 8.718 1.477 -12.655 188 HA ALA 24 HA ALA 24 5.981 1.795 -13.482 189 1HB ALA 24 1HB ALA 24 7.503 3.714 -13.352 190 2HB ALA 24 2HB ALA 24 6.841 3.511 -14.974 191 3HB ALA 24 3HB ALA 24 8.494 3.006 -14.629 192 H SER 25 H SER 25 8.921 0.383 -14.773 193 HA SER 25 HA SER 25 7.751 -0.244 -17.320 194 1HB SER 25 2HB SER 25 10.307 -1.336 -16.128 195 2HB SER 25 1HB SER 25 9.874 -1.240 -17.836 196 HG SER 25 HG SER 25 10.634 0.814 -16.063 197 H THR 26 H THR 26 7.487 -1.613 -14.269 198 HA THR 26 HA THR 26 6.983 -4.283 -15.404 199 HB THR 26 HB THR 26 7.870 -3.867 -12.555 200 HG1 THR 26 1HG THR 26 9.965 -3.883 -13.180 201 1HG2 THR 26 1HG2 THR 26 8.069 -6.202 -14.468 202 2HG2 THR 26 2HG2 THR 26 6.962 -6.064 -13.101 203 3HG2 THR 26 3HG2 THR 26 8.700 -6.180 -12.821 204 H VAL 27 H VAL 27 5.405 -1.688 -14.190 205 HA VAL 27 HA VAL 27 3.771 -2.843 -12.174 206 HB VAL 27 HB VAL 27 4.038 -0.425 -12.336 207 1HG1 VAL 27 1HG1 VAL 27 4.141 -0.174 -14.752 208 2HG1 VAL 27 2HG1 VAL 27 2.904 0.877 -14.062 209 3HG1 VAL 27 3HG1 VAL 27 2.439 -0.614 -14.882 210 1HG2 VAL 27 1HG2 VAL 27 2.067 -1.283 -11.206 211 2HG2 VAL 27 2HG2 VAL 27 1.185 -1.322 -12.732 212 3HG2 VAL 27 3HG2 VAL 27 1.682 0.223 -12.041 213 H ASP 28 H ASP 28 3.468 -2.563 -15.650 214 HA ASP 28 HA ASP 28 0.745 -3.331 -15.842 215 1HB ASP 28 2HB ASP 28 1.919 -2.128 -17.638 216 2HB ASP 28 1HB ASP 28 2.979 -3.510 -17.884 217 H ASP 29 H ASP 29 3.790 -5.091 -16.238 218 HA ASP 29 HA ASP 29 2.534 -7.576 -16.819 219 1HB ASP 29 2HB ASP 29 4.883 -6.881 -17.463 220 2HB ASP 29 1HB ASP 29 5.345 -7.196 -15.795 221 H TRP 30 H TRP 30 3.642 -6.044 -13.862 222 HA TRP 30 HA TRP 30 3.639 -8.348 -12.228 223 1HB TRP 30 2HB TRP 30 4.662 -6.106 -11.651 224 2HB TRP 30 1HB TRP 30 3.033 -5.536 -11.297 225 HD1 TRP 30 HD TRP 30 5.560 -8.191 -10.076 226 HE1 TRP 30 1HE TRP 30 5.087 -8.685 -7.593 227 HE3 TRP 30 3HE TRP 30 1.363 -5.330 -9.469 228 HZ2 TRP 30 2HZ TRP 30 3.192 -7.948 -5.640 229 HZ3 TRP 30 3HZ TRP 30 0.285 -5.279 -7.259 230 HH2 TRP 30 HH TRP 30 1.182 -6.560 -5.388 231 H ILE 31 H ILE 31 1.153 -5.846 -12.740 232 HA ILE 31 HA ILE 31 -0.842 -7.049 -11.150 233 HB ILE 31 HB ILE 31 -1.137 -5.228 -13.551 234 1HG1 ILE 31 2HG1 ILE 31 0.127 -4.217 -11.731 235 2HG1 ILE 31 1HG1 ILE 31 -1.468 -3.475 -11.839 236 1HG2 ILE 31 1HG2 ILE 31 -3.387 -4.753 -12.712 237 2HG2 ILE 31 2HG2 ILE 31 -3.175 -5.966 -11.451 238 3HG2 ILE 31 3HG2 ILE 31 -3.204 -6.454 -13.145 239 1HD1 ILE 31 1HD1 ILE 31 -0.626 -5.582 -9.858 240 2HD1 ILE 31 2HD1 ILE 31 -2.228 -4.851 -9.968 241 3HD1 ILE 31 3HD1 ILE 31 -0.836 -3.862 -9.531 242 H LYS 32 H LYS 32 0.017 -7.368 -14.533 243 HA LYS 32 HA LYS 32 -2.018 -9.038 -15.438 244 1HB LYS 32 2HB LYS 32 -0.378 -7.993 -16.897 245 2HB LYS 32 1HB LYS 32 0.915 -8.926 -16.163 246 1HG LYS 32 2HG LYS 32 -0.429 -10.979 -17.004 247 2HG LYS 32 1HG LYS 32 -1.198 -9.804 -18.077 248 1HD LYS 32 2HD LYS 32 1.750 -10.408 -17.862 249 2HD LYS 32 1HD LYS 32 0.686 -10.796 -19.214 250 1HE LYS 32 2HE LYS 32 0.405 -8.492 -19.753 251 2HE LYS 32 1HE LYS 32 1.210 -7.984 -18.270 252 1HZ LYS 32 1HZ LYS 32 2.698 -7.769 -20.129 253 2HZ LYS 32 2HZ LYS 32 2.472 -9.393 -20.559 254 3HZ LYS 32 3HZ LYS 32 3.262 -9.004 -19.110 255 H ARG 33 H ARG 33 0.894 -9.760 -13.606 256 HA ARG 33 HA ARG 33 0.759 -12.598 -14.082 257 1HB ARG 33 2HB ARG 33 2.817 -11.042 -13.680 258 2HB ARG 33 1HB ARG 33 2.468 -11.324 -11.986 259 1HG ARG 33 2HG ARG 33 2.698 -13.731 -12.330 260 2HG ARG 33 1HG ARG 33 3.059 -13.451 -14.037 261 1HD ARG 33 2HD ARG 33 4.674 -12.569 -11.651 262 2HD ARG 33 1HD ARG 33 5.122 -13.772 -12.860 263 HE ARG 33 HE ARG 33 4.659 -11.364 -14.191 264 1HH1 ARG 33 1HH1 ARG 33 6.930 -12.722 -11.903 265 2HH1 ARG 33 2HH1 ARG 33 8.220 -11.648 -12.357 266 1HH2 ARG 33 1HH2 ARG 33 6.343 -9.946 -14.794 267 2HH2 ARG 33 2HH2 ARG 33 7.898 -10.076 -14.004 268 H VAL 34 H VAL 34 0.295 -10.471 -11.261 269 HA VAL 34 HA VAL 34 -0.527 -12.802 -9.698 270 HB VAL 34 HB VAL 34 -0.488 -11.290 -7.737 271 1HG1 VAL 34 1HG1 VAL 34 1.471 -12.602 -8.326 272 2HG1 VAL 34 2HG1 VAL 34 1.942 -11.048 -7.639 273 3HG1 VAL 34 3HG1 VAL 34 2.037 -11.306 -9.382 274 1HG2 VAL 34 1HG2 VAL 34 0.542 -9.241 -9.696 275 2HG2 VAL 34 2HG2 VAL 34 0.536 -9.071 -7.941 276 3HG2 VAL 34 3HG2 VAL 34 -0.989 -9.174 -8.823 277 H GLY 35 H GLY 35 -1.819 -9.615 -10.580 278 1HA GLY 35 2HA GLY 35 -4.058 -9.240 -11.206 279 2HA GLY 35 1HA GLY 35 -4.508 -10.741 -10.410 280 H ASP 36 H ASP 36 -3.666 -10.538 -7.925 281 HA ASP 36 HA ASP 36 -5.236 -8.268 -6.928 282 1HB ASP 36 2HB ASP 36 -4.597 -10.931 -5.644 283 2HB ASP 36 1HB ASP 36 -5.463 -9.630 -4.837 284 H GLY 37 H GLY 37 -4.326 -6.726 -5.744 285 1HA GLY 37 2HA GLY 37 -2.403 -6.926 -3.812 286 2HA GLY 37 1HA GLY 37 -1.491 -6.762 -5.304 287 H VAL 38 H VAL 38 -0.920 -4.812 -3.755 288 HA VAL 38 HA VAL 38 -2.514 -2.540 -4.708 289 HB VAL 38 HB VAL 38 -2.169 -1.433 -2.457 290 1HG1 VAL 38 1HG1 VAL 38 -4.346 -2.257 -3.144 291 2HG1 VAL 38 2HG1 VAL 38 -4.099 -2.537 -1.419 292 3HG1 VAL 38 3HG1 VAL 38 -3.940 -3.871 -2.562 293 1HG2 VAL 38 1HG2 VAL 38 -0.444 -2.942 -1.600 294 2HG2 VAL 38 2HG2 VAL 38 -1.612 -4.264 -1.577 295 3HG2 VAL 38 3HG2 VAL 38 -1.836 -2.873 -0.519 296 H ILE 39 H ILE 39 -1.287 -1.055 -5.656 297 HA ILE 39 HA ILE 39 1.593 -1.003 -5.085 298 HB ILE 39 HB ILE 39 -0.014 0.188 -7.361 299 1HG1 ILE 39 2HG1 ILE 39 1.686 -1.085 -8.732 300 2HG1 ILE 39 1HG1 ILE 39 2.233 -1.842 -7.244 301 1HG2 ILE 39 1HG2 ILE 39 1.583 1.870 -6.692 302 2HG2 ILE 39 2HG2 ILE 39 2.084 1.142 -8.218 303 3HG2 ILE 39 3HG2 ILE 39 2.888 0.684 -6.717 304 1HD1 ILE 39 1HD1 ILE 39 0.719 -3.294 -8.427 305 2HD1 ILE 39 2HD1 ILE 39 -0.518 -2.035 -8.455 306 3HD1 ILE 39 3HD1 ILE 39 -0.027 -2.759 -6.920 307 H LEU 40 H LEU 40 2.310 0.429 -3.660 308 HA LEU 40 HA LEU 40 0.725 2.776 -2.981 309 1HB LEU 40 2HB LEU 40 2.153 1.141 -1.429 310 2HB LEU 40 1HB LEU 40 3.435 2.262 -1.838 311 HG LEU 40 HG LEU 40 0.824 3.056 -0.540 312 1HD1 LEU 40 1HD1 LEU 40 2.109 1.634 0.938 313 2HD1 LEU 40 2HD1 LEU 40 2.158 3.306 1.501 314 3HD1 LEU 40 3HD1 LEU 40 3.549 2.614 0.665 315 1HD2 LEU 40 1HD2 LEU 40 3.385 4.581 -0.987 316 2HD2 LEU 40 2HD2 LEU 40 2.006 5.147 -0.045 317 3HD2 LEU 40 3HD2 LEU 40 1.838 4.876 -1.781 318 H LEU 41 H LEU 41 0.957 4.555 -4.188 319 HA LEU 41 HA LEU 41 3.322 4.899 -5.834 320 1HB LEU 41 2HB LEU 41 0.711 6.384 -5.660 321 2HB LEU 41 1HB LEU 41 2.048 6.969 -6.626 322 HG LEU 41 HG LEU 41 1.969 4.752 -7.862 323 1HD1 LEU 41 1HD1 LEU 41 -0.154 3.543 -7.797 324 2HD1 LEU 41 2HD1 LEU 41 -0.697 4.566 -6.469 325 3HD1 LEU 41 3HD1 LEU 41 0.674 3.482 -6.241 326 1HD2 LEU 41 1HD2 LEU 41 0.111 5.470 -9.279 327 2HD2 LEU 41 2HD2 LEU 41 1.144 6.825 -8.822 328 3HD2 LEU 41 3HD2 LEU 41 -0.412 6.591 -8.023 329 H SER 42 H SER 42 4.978 6.116 -5.355 330 HA SER 42 HA SER 42 6.328 7.689 -4.458 331 1HB SER 42 2HB SER 42 4.608 9.318 -5.125 332 2HB SER 42 1HB SER 42 3.768 9.060 -3.598 333 HG SER 42 HG SER 42 5.257 10.183 -2.558 334 H SER 43 H SER 43 7.355 8.212 -2.515 335 HA SER 43 HA SER 43 6.468 6.687 -0.202 336 1HB SER 43 2HB SER 43 8.979 8.348 -0.568 337 2HB SER 43 1HB SER 43 8.666 7.179 0.718 338 HG SER 43 HG SER 43 8.284 5.921 -1.563 339 H ASP 44 H ASP 44 5.227 7.603 1.277 340 HA ASP 44 HA ASP 44 4.318 9.098 2.731 341 1HB ASP 44 2HB ASP 44 6.613 9.966 3.088 342 2HB ASP 44 1HB ASP 44 6.394 11.069 1.734 343 HA PRO 45 HA PRO 45 1.269 10.907 0.081 344 1HB PRO 45 2HB PRO 45 -0.036 12.458 1.911 345 2HB PRO 45 1HB PRO 45 -0.236 10.707 1.788 346 1HG PRO 45 2HG PRO 45 1.491 12.286 3.657 347 2HG PRO 45 1HG PRO 45 0.442 10.898 4.007 348 1HD PRO 45 2HD PRO 45 3.092 10.605 3.734 349 2HD PRO 45 1HD PRO 45 1.958 9.372 3.139 350 H ARG 46 H ARG 46 3.810 12.617 1.394 351 HA ARG 46 HA ARG 46 4.901 14.470 0.660 352 1HB ARG 46 2HB ARG 46 3.711 13.670 -1.575 353 2HB ARG 46 1HB ARG 46 2.779 15.141 -1.332 354 1HG ARG 46 2HG ARG 46 4.605 15.628 -2.790 355 2HG ARG 46 1HG ARG 46 4.916 16.407 -1.235 356 1HD ARG 46 2HD ARG 46 6.389 14.565 -0.607 357 2HD ARG 46 1HD ARG 46 6.066 13.774 -2.148 358 HE ARG 46 HE ARG 46 7.632 16.227 -1.742 359 1HH1 ARG 46 1HH1 ARG 46 6.481 13.682 -3.857 360 2HH1 ARG 46 2HH1 ARG 46 7.645 14.013 -5.105 361 1HH2 ARG 46 1HH2 ARG 46 9.180 16.651 -3.374 362 2HH2 ARG 46 2HH2 ARG 46 9.172 15.698 -4.829 363 H ARG 47 H ARG 47 2.579 14.466 2.583 364 HA ARG 47 HA ARG 47 1.373 17.059 2.339 365 1HB ARG 47 2HB ARG 47 0.113 15.304 3.403 366 2HB ARG 47 1HB ARG 47 1.394 15.023 4.570 367 1HG ARG 47 2HG ARG 47 -0.395 16.195 5.641 368 2HG ARG 47 1HG ARG 47 0.991 17.275 5.502 369 1HD ARG 47 2HD ARG 47 -1.223 17.273 3.473 370 2HD ARG 47 1HD ARG 47 -1.330 18.213 4.957 371 HE ARG 47 HE ARG 47 1.104 18.817 3.702 372 1HH1 ARG 47 1HH1 ARG 47 -2.335 19.248 3.210 373 2HH1 ARG 47 2HH1 ARG 47 -2.150 20.709 2.277 374 1HH2 ARG 47 1HH2 ARG 47 1.358 20.758 2.515 375 2HH2 ARG 47 2HH2 ARG 47 -0.052 21.587 1.918 376 H THR 48 H THR 48 3.722 15.593 4.556 377 HA THR 48 HA THR 48 5.281 16.466 5.948 378 HB THR 48 HB THR 48 5.218 18.924 4.191 379 HG1 THR 48 1HG THR 48 6.526 16.411 3.840 380 1HG2 THR 48 1HG2 THR 48 6.530 19.145 6.254 381 2HG2 THR 48 2HG2 THR 48 7.575 19.126 4.833 382 3HG2 THR 48 3HG2 THR 48 7.428 17.686 5.841 383 HA PRO 49 HA PRO 49 2.021 19.027 8.084 384 1HB PRO 49 2HB PRO 49 1.849 17.454 10.302 385 2HB PRO 49 1HB PRO 49 0.856 17.213 8.863 386 1HG PRO 49 2HG PRO 49 3.308 15.759 9.739 387 2HG PRO 49 1HG PRO 49 1.845 15.128 8.963 388 1HD PRO 49 2HD PRO 49 4.176 15.581 7.626 389 2HD PRO 49 1HD PRO 49 2.579 15.663 6.861 390 H GLU 50 H GLU 50 5.022 17.560 9.082 391 HA GLU 50 HA GLU 50 6.103 19.945 10.083 392 1HB GLU 50 2HB GLU 50 4.585 19.530 11.980 393 2HB GLU 50 1HB GLU 50 5.309 17.945 12.211 394 1HG GLU 50 2HG GLU 50 7.375 18.890 12.884 395 2HG GLU 50 1HG GLU 50 6.876 20.504 12.382 396 H VAL 51 H VAL 51 6.428 16.618 11.317 397 HA VAL 51 HA VAL 51 9.186 16.584 10.304 398 HB VAL 51 HB VAL 51 8.705 16.005 12.719 399 1HG1 VAL 51 1HG1 VAL 51 7.884 13.753 13.218 400 2HG1 VAL 51 2HG1 VAL 51 7.540 13.504 11.507 401 3HG1 VAL 51 3HG1 VAL 51 6.662 14.735 12.413 402 1HG2 VAL 51 1HG2 VAL 51 10.271 14.124 12.788 403 2HG2 VAL 51 2HG2 VAL 51 10.800 15.379 11.667 404 3HG2 VAL 51 3HG2 VAL 51 10.070 13.896 11.052 405 H SER 52 H SER 52 6.121 15.619 9.533 406 HA SER 52 HA SER 52 5.215 14.417 7.849 407 1HB SER 52 2HB SER 52 8.026 13.641 7.036 408 2HB SER 52 1HB SER 52 6.565 13.525 6.054 409 HG SER 52 HG SER 52 8.202 15.644 6.470 410 H ASP 53 H ASP 53 4.180 12.984 9.130 411 HA ASP 53 HA ASP 53 5.490 10.713 10.280 412 1HB ASP 53 2HB ASP 53 3.435 11.814 11.235 413 2HB ASP 53 1HB ASP 53 2.523 11.160 9.881 414 H ASN 54 H ASN 54 6.427 9.490 8.724 415 HA ASN 54 HA ASN 54 5.346 9.029 6.167 416 1HB ASN 54 2HB ASN 54 7.472 7.506 7.683 417 2HB ASN 54 1HB ASN 54 7.094 7.257 5.984 418 1HD2 ASN 54 1HD2 ASN 54 6.590 10.160 5.580 419 2HD2 ASN 54 2HD2 ASN 54 8.162 10.877 5.538 420 HA PRO 55 HA PRO 55 2.306 6.006 7.047 421 1HB PRO 55 2HB PRO 55 1.975 4.994 4.548 422 2HB PRO 55 1HB PRO 55 1.364 6.576 5.042 423 1HG PRO 55 2HG PRO 55 3.833 5.895 3.502 424 2HG PRO 55 1HG PRO 55 2.676 7.215 3.242 425 1HD PRO 55 2HD PRO 55 5.069 7.574 4.473 426 2HD PRO 55 1HD PRO 55 3.632 8.540 4.857 427 H VAL 56 H VAL 56 3.394 4.547 8.355 428 HA VAL 56 HA VAL 56 4.715 2.289 7.000 429 HB VAL 56 HB VAL 56 4.614 2.851 9.975 430 1HG1 VAL 56 1HG1 VAL 56 6.572 1.345 10.042 431 2HG1 VAL 56 2HG1 VAL 56 6.355 1.028 8.320 432 3HG1 VAL 56 3HG1 VAL 56 5.108 0.546 9.472 433 1HG2 VAL 56 1HG2 VAL 56 6.886 3.737 9.763 434 2HG2 VAL 56 2HG2 VAL 56 5.728 4.702 8.846 435 3HG2 VAL 56 3HG2 VAL 56 6.788 3.567 8.011 436 H MET 57 H MET 57 1.822 3.300 8.323 437 HA MET 57 HA MET 57 0.804 1.121 9.694 438 1HB MET 57 2HB MET 57 -0.433 3.358 8.158 439 2HB MET 57 1HB MET 57 -1.458 2.050 8.734 440 1HG MET 57 2HG MET 57 0.357 3.688 10.491 441 2HG MET 57 1HG MET 57 -1.361 4.006 10.248 442 1HE MET 57 1HE MET 57 -3.281 2.255 10.904 443 2HE MET 57 2HE MET 57 -2.969 0.723 11.717 444 3HE MET 57 3HE MET 57 -2.452 0.955 10.047 445 H ILE 58 H ILE 58 1.405 1.342 6.317 446 HA ILE 58 HA ILE 58 -0.680 -0.368 5.419 447 HB ILE 58 HB ILE 58 1.956 0.270 4.067 448 1HG1 ILE 58 2HG1 ILE 58 0.222 1.627 2.603 449 2HG1 ILE 58 1HG1 ILE 58 -0.729 1.592 4.088 450 1HG2 ILE 58 1HG2 ILE 58 0.964 -1.793 3.214 451 2HG2 ILE 58 2HG2 ILE 58 0.905 -0.502 2.014 452 3HG2 ILE 58 3HG2 ILE 58 -0.549 -0.939 2.911 453 1HD1 ILE 58 1HD1 ILE 58 2.079 2.665 3.855 454 2HD1 ILE 58 2HD1 ILE 58 1.035 2.726 5.278 455 3HD1 ILE 58 3HD1 ILE 58 0.609 3.639 3.834 456 H ALA 59 H ALA 59 2.330 -0.923 6.969 457 HA ALA 59 HA ALA 59 2.893 -3.542 6.076 458 1HB ALA 59 1HB ALA 59 4.297 -3.730 8.052 459 2HB ALA 59 2HB ALA 59 3.541 -2.297 8.748 460 3HB ALA 59 3HB ALA 59 4.519 -2.158 7.286 461 H GLU 60 H GLU 60 1.348 -2.491 9.126 462 HA GLU 60 HA GLU 60 0.374 -5.076 9.764 463 1HB GLU 60 2HB GLU 60 -0.241 -2.305 10.767 464 2HB GLU 60 1HB GLU 60 -1.114 -3.705 11.357 465 1HG GLU 60 2HG GLU 60 0.626 -3.178 12.905 466 2HG GLU 60 1HG GLU 60 1.036 -4.685 12.097 467 H LEU 61 H LEU 61 -0.839 -2.407 7.916 468 HA LEU 61 HA LEU 61 -3.569 -2.802 7.906 469 1HB LEU 61 2HB LEU 61 -1.793 -1.175 6.596 470 2HB LEU 61 1HB LEU 61 -2.453 -2.130 5.285 471 HG LEU 61 HG LEU 61 -4.142 -0.546 7.227 472 1HD1 LEU 61 1HD1 LEU 61 -3.241 0.155 4.434 473 2HD1 LEU 61 2HD1 LEU 61 -2.749 0.959 5.924 474 3HD1 LEU 61 3HD1 LEU 61 -4.426 1.049 5.387 475 1HD2 LEU 61 1HD2 LEU 61 -5.305 -2.423 6.188 476 2HD2 LEU 61 2HD2 LEU 61 -4.810 -1.854 4.593 477 3HD2 LEU 61 3HD2 LEU 61 -5.905 -0.880 5.573 478 H LEU 62 H LEU 62 -1.091 -4.534 6.151 479 HA LEU 62 HA LEU 62 -2.459 -5.866 4.194 480 1HB LEU 62 2HB LEU 62 0.014 -6.016 5.019 481 2HB LEU 62 1HB LEU 62 -0.568 -7.362 5.977 482 HG LEU 62 HG LEU 62 -0.767 -7.206 2.963 483 1HD1 LEU 62 1HD1 LEU 62 1.560 -7.296 3.695 484 2HD1 LEU 62 2HD1 LEU 62 1.072 -8.811 2.938 485 3HD1 LEU 62 3HD1 LEU 62 1.198 -8.703 4.693 486 1HD2 LEU 62 1HD2 LEU 62 -1.258 -9.589 3.096 487 2HD2 LEU 62 2HD2 LEU 62 -2.456 -8.652 3.991 488 3HD2 LEU 62 3HD2 LEU 62 -1.187 -9.518 4.856 489 H ARG 63 H ARG 63 -2.158 -6.963 7.594 490 HA ARG 63 HA ARG 63 -4.194 -8.975 7.101 491 1HB ARG 63 2HB ARG 63 -2.271 -8.455 9.320 492 2HB ARG 63 1HB ARG 63 -3.695 -9.438 9.630 493 1HG ARG 63 2HG ARG 63 -3.026 -10.881 7.714 494 2HG ARG 63 1HG ARG 63 -1.526 -9.960 7.613 495 1HD ARG 63 2HD ARG 63 -0.744 -10.763 9.640 496 2HD ARG 63 1HD ARG 63 -2.357 -11.191 10.209 497 HE ARG 63 HE ARG 63 -2.286 -13.021 8.521 498 1HH1 ARG 63 1HH1 ARG 63 0.741 -11.606 9.570 499 2HH1 ARG 63 2HH1 ARG 63 1.631 -13.096 9.431 500 1HH2 ARG 63 1HH2 ARG 63 -1.113 -14.976 8.342 501 2HH2 ARG 63 2HH2 ARG 63 0.578 -14.999 8.740 502 H GLU 64 H GLU 64 -4.227 -5.781 7.977 503 HA GLU 64 HA GLU 64 -6.403 -5.865 9.833 504 1HB GLU 64 2HB GLU 64 -5.299 -3.652 8.100 505 2HB GLU 64 1HB GLU 64 -6.645 -3.428 9.201 506 1HG GLU 64 2HG GLU 64 -3.833 -4.198 9.935 507 2HG GLU 64 1HG GLU 64 -4.614 -2.644 10.220 508 H PHE 65 H PHE 65 -6.053 -6.151 6.434 509 HA PHE 65 HA PHE 65 -8.736 -5.424 5.751 510 1HB PHE 65 2HB PHE 65 -6.567 -5.626 4.239 511 2HB PHE 65 1HB PHE 65 -7.114 -7.287 4.057 512 HD1 PHE 65 1HD PHE 65 -8.431 -7.739 2.235 513 HD2 PHE 65 2HD PHE 65 -8.554 -3.851 3.959 514 HE1 PHE 65 1HE PHE 65 -10.013 -7.016 0.496 515 HE2 PHE 65 2HE PHE 65 -10.135 -3.123 2.223 516 HZ PHE 65 HZ PHE 65 -10.867 -4.707 0.491 517 HA PRO 66 HA PRO 66 -10.358 -9.177 7.506 518 1HB PRO 66 2HB PRO 66 -12.986 -8.254 6.697 519 2HB PRO 66 1HB PRO 66 -12.292 -8.344 8.316 520 1HG PRO 66 2HG PRO 66 -12.825 -5.996 7.051 521 2HG PRO 66 1HG PRO 66 -11.538 -6.184 8.256 522 1HD PRO 66 2HD PRO 66 -11.346 -6.153 5.263 523 2HD PRO 66 1HD PRO 66 -10.289 -5.383 6.467 524 H GLN 67 H GLN 67 -9.815 -8.811 4.409 525 HA GLN 67 HA GLN 67 -11.733 -10.862 3.546 526 1HB GLN 67 2HB GLN 67 -10.686 -8.482 2.225 527 2HB GLN 67 1HB GLN 67 -10.565 -9.928 1.230 528 1HG GLN 67 2HG GLN 67 -13.083 -8.934 2.550 529 2HG GLN 67 1HG GLN 67 -12.650 -8.679 0.860 530 1HE2 GLN 67 1HE2 GLN 67 -14.946 -10.062 2.000 531 2HE2 GLN 67 2HE2 GLN 67 -14.890 -11.675 1.387 532 H PHE 68 H PHE 68 -8.413 -9.879 2.593 533 HA PHE 68 HA PHE 68 -7.522 -12.616 2.826 534 1HB PHE 68 2HB PHE 68 -6.788 -12.595 0.354 535 2HB PHE 68 1HB PHE 68 -8.471 -12.945 0.715 536 HD1 PHE 68 1HD PHE 68 -6.615 -9.699 0.425 537 HD2 PHE 68 2HD PHE 68 -9.742 -12.201 -1.031 538 HE1 PHE 68 1HE PHE 68 -7.310 -7.925 -1.130 539 HE2 PHE 68 2HE PHE 68 -10.448 -10.425 -2.578 540 HZ PHE 68 HZ PHE 68 -9.229 -8.285 -2.633 541 H ASP 69 H ASP 69 -5.253 -12.885 2.143 542 HA ASP 69 HA ASP 69 -3.642 -10.578 2.846 543 1HB ASP 69 2HB ASP 69 -2.864 -13.427 2.157 544 2HB ASP 69 1HB ASP 69 -1.728 -12.172 2.637 545 H TRP 70 H TRP 70 -3.296 -9.151 1.279 546 HA TRP 70 HA TRP 70 -2.809 -10.137 -1.438 547 1HB TRP 70 2HB TRP 70 -3.177 -7.696 -2.083 548 2HB TRP 70 1HB TRP 70 -4.580 -8.608 -1.554 549 HD1 TRP 70 HD TRP 70 -2.553 -7.520 1.393 550 HE1 TRP 70 1HE TRP 70 -3.679 -5.497 2.522 551 HE3 TRP 70 3HE TRP 70 -5.918 -6.328 -2.261 552 HZ2 TRP 70 2HZ TRP 70 -5.720 -3.631 1.927 553 HZ3 TRP 70 3HZ TRP 70 -7.418 -4.413 -1.900 554 HH2 TRP 70 HH TRP 70 -7.318 -3.094 0.146 555 H GLN 71 H GLN 71 -1.155 -9.073 -2.719 556 HA GLN 71 HA GLN 71 1.281 -8.873 -1.220 557 1HB GLN 71 2HB GLN 71 0.741 -8.489 -4.175 558 2HB GLN 71 1HB GLN 71 2.338 -8.455 -3.449 559 1HG GLN 71 2HG GLN 71 2.168 -10.594 -4.323 560 2HG GLN 71 1HG GLN 71 1.812 -10.814 -2.611 561 1HE2 GLN 71 1HE2 GLN 71 0.492 -10.751 -5.829 562 2HE2 GLN 71 2HE2 GLN 71 -0.998 -11.540 -5.455 563 H VAL 72 H VAL 72 1.678 -7.090 -0.102 564 HA VAL 72 HA VAL 72 0.841 -4.479 -0.933 565 HB VAL 72 HB VAL 72 2.760 -5.336 1.243 566 1HG1 VAL 72 1HG1 VAL 72 3.282 -3.072 0.540 567 2HG1 VAL 72 2HG1 VAL 72 2.492 -3.043 2.117 568 3HG1 VAL 72 3HG1 VAL 72 1.583 -2.617 0.668 569 1HG2 VAL 72 1HG2 VAL 72 0.908 -4.803 2.756 570 2HG2 VAL 72 2HG2 VAL 72 0.467 -6.072 1.614 571 3HG2 VAL 72 3HG2 VAL 72 -0.112 -4.425 1.366 572 H ALA 73 H ALA 73 1.809 -3.301 -2.439 573 HA ALA 73 HA ALA 73 4.669 -3.762 -2.956 574 1HB ALA 73 1HB ALA 73 3.277 -4.553 -4.788 575 2HB ALA 73 2HB ALA 73 4.229 -3.155 -5.288 576 3HB ALA 73 3HB ALA 73 2.516 -2.967 -4.911 577 H VAL 74 H VAL 74 5.980 -2.008 -3.277 578 HA VAL 74 HA VAL 74 4.781 0.646 -2.825 579 HB VAL 74 HB VAL 74 5.797 0.040 -0.733 580 1HG1 VAL 74 1HG1 VAL 74 7.226 -1.777 -1.478 581 2HG1 VAL 74 2HG1 VAL 74 8.164 -0.617 -0.538 582 3HG1 VAL 74 3HG1 VAL 74 8.292 -0.636 -2.297 583 1HG2 VAL 74 1HG2 VAL 74 7.662 1.869 -2.237 584 2HG2 VAL 74 2HG2 VAL 74 7.521 1.749 -0.482 585 3HG2 VAL 74 3HG2 VAL 74 6.160 2.338 -1.439 586 H ALA 75 H ALA 75 5.443 2.199 -4.218 587 HA ALA 75 HA ALA 75 7.540 1.425 -6.140 588 1HB ALA 75 1HB ALA 75 6.396 2.810 -7.781 589 2HB ALA 75 2HB ALA 75 5.197 3.274 -6.575 590 3HB ALA 75 3HB ALA 75 5.295 1.600 -7.122 591 H ASP 76 H ASP 76 9.118 2.866 -6.691 592 HA ASP 76 HA ASP 76 9.783 4.960 -4.895 593 1HB ASP 76 2HB ASP 76 11.534 3.806 -6.106 594 2HB ASP 76 1HB ASP 76 10.832 4.269 -7.652 595 H LEU 77 H LEU 77 9.959 7.248 -5.412 596 HA LEU 77 HA LEU 77 7.494 8.254 -6.262 597 1HB LEU 77 2HB LEU 77 8.678 10.503 -6.137 598 2HB LEU 77 1HB LEU 77 8.598 9.541 -4.677 599 HG LEU 77 HG LEU 77 10.983 8.746 -5.357 600 1HD1 LEU 77 1HD1 LEU 77 10.792 11.331 -6.895 601 2HD1 LEU 77 2HD1 LEU 77 11.013 9.724 -7.586 602 3HD1 LEU 77 3HD1 LEU 77 12.273 10.429 -6.572 603 1HD2 LEU 77 1HD2 LEU 77 10.474 10.065 -3.384 604 2HD2 LEU 77 2HD2 LEU 77 10.447 11.537 -4.355 605 3HD2 LEU 77 3HD2 LEU 77 11.953 10.643 -4.150 606 H GLU 78 H GLU 78 10.477 7.768 -8.067 607 HA GLU 78 HA GLU 78 9.680 9.452 -10.245 608 1HB GLU 78 2HB GLU 78 12.051 8.864 -9.816 609 2HB GLU 78 1HB GLU 78 11.685 7.201 -10.257 610 1HG GLU 78 2HG GLU 78 10.951 8.056 -12.497 611 2HG GLU 78 1HG GLU 78 11.586 9.630 -12.025 612 H GLN 79 H GLN 79 9.617 5.966 -9.630 613 HA GLN 79 HA GLN 79 8.518 5.242 -12.125 614 1HB GLN 79 2HB GLN 79 8.587 3.851 -9.456 615 2HB GLN 79 1HB GLN 79 7.743 3.153 -10.828 616 1HG GLN 79 2HG GLN 79 9.808 2.126 -10.896 617 2HG GLN 79 1HG GLN 79 9.966 3.420 -12.079 618 1HE2 GLN 79 1HE2 GLN 79 11.295 5.179 -11.611 619 2HE2 GLN 79 2HE2 GLN 79 12.478 5.123 -10.345 620 H SER 80 H SER 80 7.081 6.269 -9.101 621 HA SER 80 HA SER 80 4.433 5.504 -9.603 622 1HB SER 80 2HB SER 80 5.434 7.840 -7.964 623 2HB SER 80 1HB SER 80 3.840 7.096 -7.847 624 HG SER 80 HG SER 80 6.340 5.850 -7.302 625 H GLU 81 H GLU 81 6.266 8.270 -10.744 626 HA GLU 81 HA GLU 81 4.060 9.854 -11.544 627 1HB GLU 81 2HB GLU 81 6.350 10.756 -11.346 628 2HB GLU 81 1HB GLU 81 6.852 9.767 -12.711 629 1HG GLU 81 2HG GLU 81 5.300 10.983 -14.159 630 2HG GLU 81 1HG GLU 81 4.813 11.982 -12.790 631 H ALA 82 H ALA 82 6.011 7.428 -13.230 632 HA ALA 82 HA ALA 82 4.601 7.653 -15.699 633 1HB ALA 82 1HB ALA 82 5.817 5.657 -16.361 634 2HB ALA 82 2HB ALA 82 6.325 5.394 -14.693 635 3HB ALA 82 3HB ALA 82 6.898 6.809 -15.578 636 H ILE 83 H ILE 83 4.434 5.428 -12.941 637 HA ILE 83 HA ILE 83 2.445 3.717 -13.926 638 HB ILE 83 HB ILE 83 2.971 4.565 -11.068 639 1HG1 ILE 83 2HG1 ILE 83 3.830 2.091 -12.585 640 2HG1 ILE 83 1HG1 ILE 83 4.868 3.465 -12.219 641 1HG2 ILE 83 1HG2 ILE 83 1.343 2.247 -12.108 642 2HG2 ILE 83 2HG2 ILE 83 0.721 3.669 -11.271 643 3HG2 ILE 83 3HG2 ILE 83 1.759 2.527 -10.419 644 1HD1 ILE 83 1HD1 ILE 83 4.603 3.024 -9.834 645 2HD1 ILE 83 2HD1 ILE 83 5.262 1.629 -10.687 646 3HD1 ILE 83 3HD1 ILE 83 3.566 1.647 -10.205 647 H GLY 84 H GLY 84 2.217 6.767 -12.147 648 1HA GLY 84 2HA GLY 84 -0.604 6.804 -11.944 649 2HA GLY 84 1HA GLY 84 0.460 8.190 -11.775 650 H ASP 85 H ASP 85 1.583 7.740 -14.494 651 HA ASP 85 HA ASP 85 -0.329 9.356 -15.907 652 1HB ASP 85 2HB ASP 85 2.152 9.624 -16.109 653 2HB ASP 85 1HB ASP 85 2.196 8.105 -16.990 654 H ARG 86 H ARG 86 0.696 6.056 -15.919 655 HA ARG 86 HA ARG 86 -0.131 4.993 -18.286 656 1HB ARG 86 2HB ARG 86 0.889 3.752 -16.384 657 2HB ARG 86 1HB ARG 86 -0.661 3.785 -15.565 658 1HG ARG 86 2HG ARG 86 -0.350 1.631 -16.555 659 2HG ARG 86 1HG ARG 86 -1.628 2.475 -17.431 660 1HD ARG 86 2HD ARG 86 -0.282 2.843 -19.289 661 2HD ARG 86 1HD ARG 86 1.208 2.595 -18.380 662 HE ARG 86 HE ARG 86 -0.312 0.213 -18.399 663 1HH1 ARG 86 1HH1 ARG 86 1.568 2.221 -20.564 664 2HH1 ARG 86 2HH1 ARG 86 2.152 0.885 -21.508 665 1HH2 ARG 86 1HH2 ARG 86 0.445 -1.567 -19.638 666 2HH2 ARG 86 2HH2 ARG 86 1.499 -1.267 -20.994 667 H PHE 87 H PHE 87 -2.227 5.679 -15.495 668 HA PHE 87 HA PHE 87 -4.536 5.489 -17.314 669 1HB PHE 87 2HB PHE 87 -5.726 4.948 -14.972 670 2HB PHE 87 1HB PHE 87 -5.064 3.698 -16.017 671 HD1 PHE 87 1HD PHE 87 -4.201 5.852 -13.111 672 HD2 PHE 87 2HD PHE 87 -3.461 2.231 -15.223 673 HE1 PHE 87 1HE PHE 87 -2.734 5.091 -11.292 674 HE2 PHE 87 2HE PHE 87 -1.997 1.460 -13.403 675 HZ PHE 87 HZ PHE 87 -1.629 2.896 -11.435 676 H ASN 88 H ASN 88 -2.723 7.641 -15.993 677 HA ASN 88 HA ASN 88 -2.894 9.800 -15.334 678 1HB ASN 88 2HB ASN 88 -4.256 9.841 -17.455 679 2HB ASN 88 1HB ASN 88 -5.697 9.709 -16.453 680 1HD2 ASN 88 1HD2 ASN 88 -6.467 11.704 -17.142 681 2HD2 ASN 88 2HD2 ASN 88 -5.761 13.193 -16.610 682 H VAL 89 H VAL 89 -2.920 8.728 -13.145 683 HA VAL 89 HA VAL 89 -5.385 9.432 -11.688 684 HB VAL 89 HB VAL 89 -4.497 7.038 -11.561 685 1HG1 VAL 89 1HG1 VAL 89 -2.683 6.607 -9.982 686 2HG1 VAL 89 2HG1 VAL 89 -2.411 8.344 -9.826 687 3HG1 VAL 89 3HG1 VAL 89 -2.134 7.542 -11.372 688 1HG2 VAL 89 1HG2 VAL 89 -4.845 8.552 -8.977 689 2HG2 VAL 89 2HG2 VAL 89 -5.019 6.809 -9.186 690 3HG2 VAL 89 3HG2 VAL 89 -6.140 7.909 -9.987 691 H ARG 90 H ARG 90 -2.843 10.987 -12.578 692 HA ARG 90 HA ARG 90 -1.297 11.711 -10.380 693 1HB ARG 90 2HB ARG 90 -0.926 13.883 -11.687 694 2HB ARG 90 1HB ARG 90 -0.490 12.380 -12.487 695 1HG ARG 90 2HG ARG 90 -2.446 12.442 -13.841 696 2HG ARG 90 1HG ARG 90 -3.111 13.787 -12.916 697 1HD ARG 90 2HD ARG 90 -2.153 14.455 -15.107 698 2HD ARG 90 1HD ARG 90 -1.416 15.269 -13.731 699 HE ARG 90 HE ARG 90 0.579 14.266 -14.230 700 1HH1 ARG 90 1HH1 ARG 90 -1.963 12.635 -16.032 701 2HH1 ARG 90 2HH1 ARG 90 -0.842 11.786 -17.056 702 1HH2 ARG 90 1HH2 ARG 90 2.030 13.137 -15.591 703 2HH2 ARG 90 2HH2 ARG 90 1.405 12.044 -16.794 704 H ARG 91 H ARG 91 -2.249 12.198 -8.500 705 HA ARG 91 HA ARG 91 -3.684 14.721 -8.326 706 1HB ARG 91 2HB ARG 91 -5.100 12.313 -8.321 707 2HB ARG 91 1HB ARG 91 -4.954 12.729 -6.621 708 1HG ARG 91 2HG ARG 91 -7.012 13.612 -7.485 709 2HG ARG 91 1HG ARG 91 -5.918 14.951 -7.121 710 1HD ARG 91 2HD ARG 91 -5.354 15.196 -9.438 711 2HD ARG 91 1HD ARG 91 -6.249 13.737 -9.859 712 HE ARG 91 HE ARG 91 -7.920 15.693 -8.615 713 1HH1 ARG 91 1HH1 ARG 91 -6.364 14.824 -11.623 714 2HH1 ARG 91 2HH1 ARG 91 -7.548 15.603 -12.630 715 1HH2 ARG 91 1HH2 ARG 91 -9.504 16.728 -9.930 716 2HH2 ARG 91 2HH2 ARG 91 -9.325 16.701 -11.662 717 H PHE 92 H PHE 92 -3.167 11.931 -6.190 718 HA PHE 92 HA PHE 92 -1.118 13.348 -4.710 719 1HB PHE 92 2HB PHE 92 -2.252 13.045 -2.536 720 2HB PHE 92 1HB PHE 92 -3.167 14.111 -3.593 721 HD1 PHE 92 1HD PHE 92 -5.253 13.311 -4.645 722 HD2 PHE 92 2HD PHE 92 -3.151 10.972 -1.774 723 HE1 PHE 92 1HE PHE 92 -7.261 11.937 -4.295 724 HE2 PHE 92 2HE PHE 92 -5.158 9.592 -1.429 725 HZ PHE 92 HZ PHE 92 -7.215 10.072 -2.688 726 HA PRO 93 HA PRO 93 0.577 9.273 -4.291 727 1HB PRO 93 2HB PRO 93 1.175 9.938 -1.462 728 2HB PRO 93 1HB PRO 93 2.267 9.428 -2.753 729 1HG PRO 93 2HG PRO 93 2.240 11.955 -1.912 730 2HG PRO 93 1HG PRO 93 2.441 11.568 -3.632 731 1HD PRO 93 2HD PRO 93 0.008 12.535 -2.177 732 2HD PRO 93 1HD PRO 93 0.614 12.986 -3.785 733 H ALA 94 H ALA 94 -0.701 7.566 -4.151 734 HA ALA 94 HA ALA 94 -2.192 7.043 -1.689 735 1HB ALA 94 1HB ALA 94 -4.227 6.516 -2.956 736 2HB ALA 94 2HB ALA 94 -3.430 7.028 -4.444 737 3HB ALA 94 3HB ALA 94 -3.757 8.202 -3.169 738 H THR 95 H THR 95 -3.215 4.779 -1.841 739 HA THR 95 HA THR 95 -1.301 2.975 -3.165 740 HB THR 95 HB THR 95 -3.187 2.274 -0.910 741 HG1 THR 95 1HG THR 95 -1.005 3.830 -0.827 742 1HG2 THR 95 1HG2 THR 95 -2.308 0.378 -2.180 743 2HG2 THR 95 2HG2 THR 95 -1.617 0.415 -0.558 744 3HG2 THR 95 3HG2 THR 95 -0.663 0.964 -1.937 745 H LEU 96 H LEU 96 -2.093 1.881 -4.898 746 HA LEU 96 HA LEU 96 -4.949 2.169 -5.423 747 1HB LEU 96 2HB LEU 96 -2.673 1.250 -7.174 748 2HB LEU 96 1HB LEU 96 -4.340 1.367 -7.699 749 HG LEU 96 HG LEU 96 -2.630 3.674 -6.778 750 1HD1 LEU 96 1HD1 LEU 96 -2.758 4.377 -9.127 751 2HD1 LEU 96 2HD1 LEU 96 -3.579 2.868 -9.520 752 3HD1 LEU 96 3HD1 LEU 96 -1.918 2.840 -8.930 753 1HD2 LEU 96 1HD2 LEU 96 -5.411 3.674 -7.943 754 2HD2 LEU 96 2HD2 LEU 96 -4.463 5.088 -7.481 755 3HD2 LEU 96 3HD2 LEU 96 -5.017 3.955 -6.247 756 H VAL 97 H VAL 97 -6.373 0.553 -5.538 757 HA VAL 97 HA VAL 97 -5.466 -2.048 -4.546 758 HB VAL 97 HB VAL 97 -8.256 -0.893 -4.668 759 1HG1 VAL 97 1HG1 VAL 97 -8.306 -3.308 -4.798 760 2HG1 VAL 97 2HG1 VAL 97 -8.865 -2.781 -3.211 761 3HG1 VAL 97 3HG1 VAL 97 -7.235 -3.430 -3.403 762 1HG2 VAL 97 1HG2 VAL 97 -8.049 -0.710 -2.226 763 2HG2 VAL 97 2HG2 VAL 97 -6.884 0.303 -3.077 764 3HG2 VAL 97 3HG2 VAL 97 -6.363 -1.216 -2.345 765 H PHE 98 H PHE 98 -5.134 -3.555 -6.010 766 HA PHE 98 HA PHE 98 -6.793 -3.568 -8.435 767 1HB PHE 98 2HB PHE 98 -4.069 -4.822 -7.950 768 2HB PHE 98 1HB PHE 98 -4.981 -4.923 -9.451 769 HD1 PHE 98 1HD PHE 98 -3.372 -2.506 -7.140 770 HD2 PHE 98 2HD PHE 98 -4.723 -3.297 -11.097 771 HE1 PHE 98 1HE PHE 98 -2.288 -0.442 -7.920 772 HE2 PHE 98 2HE PHE 98 -3.640 -1.231 -11.875 773 HZ PHE 98 HZ PHE 98 -2.430 0.199 -10.291 774 H THR 99 H THR 99 -8.279 -5.087 -8.509 775 HA THR 99 HA THR 99 -7.825 -7.612 -7.062 776 HB THR 99 HB THR 99 -10.364 -7.696 -6.831 777 HG1 THR 99 1HG THR 99 -10.395 -5.694 -8.345 778 1HG2 THR 99 1HG2 THR 99 -8.872 -7.246 -4.938 779 2HG2 THR 99 2HG2 THR 99 -10.366 -6.320 -4.807 780 3HG2 THR 99 3HG2 THR 99 -8.880 -5.530 -5.336 781 H ASP 100 H ASP 100 -7.941 -9.377 -8.256 782 HA ASP 100 HA ASP 100 -8.267 -10.802 -10.010 783 1HB ASP 100 2HB ASP 100 -10.685 -9.855 -9.757 784 2HB ASP 100 1HB ASP 100 -10.308 -8.948 -11.210 785 H GLY 101 H GLY 101 -6.728 -8.122 -10.124 786 1HA GLY 101 2HA GLY 101 -5.118 -7.447 -11.699 787 2HA GLY 101 1HA GLY 101 -6.014 -8.305 -12.949 788 H LYS 102 H LYS 102 -8.360 -6.769 -11.357 789 HA LYS 102 HA LYS 102 -8.292 -4.528 -13.253 790 1HB LYS 102 2HB LYS 102 -10.608 -5.614 -11.638 791 2HB LYS 102 1HB LYS 102 -10.709 -4.397 -12.903 792 1HG LYS 102 2HG LYS 102 -9.832 -7.251 -13.290 793 2HG LYS 102 1HG LYS 102 -11.430 -6.608 -13.674 794 1HD LYS 102 2HD LYS 102 -10.529 -5.182 -15.360 795 2HD LYS 102 1HD LYS 102 -8.876 -5.541 -14.860 796 1HE LYS 102 2HE LYS 102 -9.531 -6.733 -16.917 797 2HE LYS 102 1HE LYS 102 -9.104 -7.830 -15.606 798 1HZ LYS 102 1HZ LYS 102 -11.387 -8.297 -15.219 799 2HZ LYS 102 2HZ LYS 102 -11.126 -8.457 -16.883 800 3HZ LYS 102 3HZ LYS 102 -11.896 -7.074 -16.274 801 H LEU 103 H LEU 103 -8.223 -2.466 -12.606 802 HA LEU 103 HA LEU 103 -7.704 -1.939 -9.800 803 1HB LEU 103 2HB LEU 103 -6.248 -0.962 -11.509 804 2HB LEU 103 1HB LEU 103 -7.621 -0.155 -12.240 805 HG LEU 103 HG LEU 103 -7.883 1.220 -10.213 806 1HD1 LEU 103 1HD1 LEU 103 -6.963 -0.322 -8.577 807 2HD1 LEU 103 2HD1 LEU 103 -6.140 1.237 -8.513 808 3HD1 LEU 103 3HD1 LEU 103 -5.362 -0.140 -9.293 809 1HD2 LEU 103 1HD2 LEU 103 -6.573 2.079 -12.062 810 2HD2 LEU 103 2HD2 LEU 103 -5.129 1.285 -11.432 811 3HD2 LEU 103 3HD2 LEU 103 -5.879 2.598 -10.524 812 H ARG 104 H ARG 104 -9.436 -1.671 -8.531 813 HA ARG 104 HA ARG 104 -11.863 -0.523 -9.682 814 1HB ARG 104 2HB ARG 104 -11.374 -1.884 -7.037 815 2HB ARG 104 1HB ARG 104 -12.914 -1.176 -7.505 816 1HG ARG 104 2HG ARG 104 -12.631 -2.735 -9.596 817 2HG ARG 104 1HG ARG 104 -11.570 -3.632 -8.503 818 1HD ARG 104 2HD ARG 104 -13.834 -4.504 -8.389 819 2HD ARG 104 1HD ARG 104 -13.388 -3.751 -6.858 820 HE ARG 104 HE ARG 104 -14.687 -1.878 -8.544 821 1HH1 ARG 104 1HH1 ARG 104 -15.346 -4.608 -6.450 822 2HH1 ARG 104 2HH1 ARG 104 -16.982 -4.131 -6.143 823 1HH2 ARG 104 1HH2 ARG 104 -16.815 -1.247 -8.136 824 2HH2 ARG 104 2HH2 ARG 104 -17.838 -2.218 -7.113 825 H GLY 105 H GLY 105 -9.417 0.187 -7.253 826 1HA GLY 105 2HA GLY 105 -10.048 2.949 -7.236 827 2HA GLY 105 1HA GLY 105 -10.782 2.179 -5.841 828 H ALA 106 H ALA 106 -9.504 3.405 -4.453 829 HA ALA 106 HA ALA 106 -6.725 2.491 -4.264 830 1HB ALA 106 1HB ALA 106 -6.713 4.696 -5.337 831 2HB ALA 106 2HB ALA 106 -5.965 4.743 -3.739 832 3HB ALA 106 3HB ALA 106 -7.600 5.363 -3.966 833 H LEU 107 H LEU 107 -5.773 2.857 -2.131 834 HA LEU 107 HA LEU 107 -7.764 2.444 -0.016 835 1HB LEU 107 2HB LEU 107 -5.539 1.024 -0.623 836 2HB LEU 107 1HB LEU 107 -4.857 2.164 0.513 837 HG LEU 107 HG LEU 107 -5.475 0.053 1.596 838 1HD1 LEU 107 1HD1 LEU 107 -6.759 0.979 3.444 839 2HD1 LEU 107 2HD1 LEU 107 -7.218 2.358 2.443 840 3HD1 LEU 107 3HD1 LEU 107 -5.530 2.120 2.894 841 1HD2 LEU 107 1HD2 LEU 107 -7.839 -0.537 1.849 842 2HD2 LEU 107 2HD2 LEU 107 -7.322 -0.586 0.164 843 3HD2 LEU 107 3HD2 LEU 107 -8.276 0.775 0.756 844 H SER 108 H SER 108 -8.244 4.769 -0.131 845 HA SER 108 HA SER 108 -6.646 6.239 1.767 846 1HB SER 108 2HB SER 108 -7.039 7.316 -1.041 847 2HB SER 108 1HB SER 108 -6.300 8.186 0.304 848 HG SER 108 HG SER 108 -5.034 5.891 0.121 849 H GLY 109 H GLY 109 -7.879 7.638 2.913 850 1HA GLY 109 2HA GLY 109 -10.371 8.639 1.844 851 2HA GLY 109 1HA GLY 109 -10.551 7.477 3.152 852 H ILE 110 H ILE 110 -11.557 9.212 4.342 853 HA ILE 110 HA ILE 110 -9.711 11.282 5.295 854 HB ILE 110 HB ILE 110 -12.696 11.080 5.752 855 1HG1 ILE 110 2HG1 ILE 110 -12.266 11.345 3.367 856 2HG1 ILE 110 1HG1 ILE 110 -12.892 12.854 4.029 857 1HG2 ILE 110 1HG2 ILE 110 -12.537 13.424 6.407 858 2HG2 ILE 110 2HG2 ILE 110 -10.795 13.389 6.139 859 3HG2 ILE 110 3HG2 ILE 110 -11.509 12.412 7.421 860 1HD1 ILE 110 1HD1 ILE 110 -10.006 12.254 3.415 861 2HD1 ILE 110 2HD1 ILE 110 -10.628 13.762 4.085 862 3HD1 ILE 110 3HD1 ILE 110 -11.093 13.263 2.459 863 H HIS 111 H HIS 111 -9.308 11.521 7.508 864 HA HIS 111 HA HIS 111 -8.997 10.899 9.672 865 1HB HIS 111 2HB HIS 111 -11.100 8.807 9.108 866 2HB HIS 111 1HB HIS 111 -10.300 8.990 10.665 867 HD1 HIS 111 1HD HIS 111 -11.101 10.875 12.185 868 HD2 HIS 111 2HD HIS 111 -12.888 10.912 8.429 869 HE1 HIS 111 1HE HIS 111 -12.990 12.522 12.348 870 HE2 HIS 111 2HE HIS 111 -14.164 12.403 10.119 871 HA PRO 112 HA PRO 112 -5.790 7.969 9.118 872 1HB PRO 112 2HB PRO 112 -5.586 7.540 11.986 873 2HB PRO 112 1HB PRO 112 -4.511 8.445 10.918 874 1HG PRO 112 2HG PRO 112 -6.069 9.640 12.793 875 2HG PRO 112 1HG PRO 112 -5.618 10.428 11.269 876 1HD PRO 112 2HD PRO 112 -8.178 9.045 12.001 877 2HD PRO 112 1HD PRO 112 -7.933 10.577 11.131 878 H TRP 113 H TRP 113 -8.758 7.001 10.105 879 HA TRP 113 HA TRP 113 -8.371 4.309 9.453 880 1HB TRP 113 2HB TRP 113 -7.325 4.476 11.839 881 2HB TRP 113 1HB TRP 113 -8.994 4.579 12.390 882 HD1 TRP 113 HD TRP 113 -10.125 2.328 12.873 883 HE1 TRP 113 1HE TRP 113 -9.655 -0.138 12.280 884 HE3 TRP 113 3HE TRP 113 -6.155 2.999 9.727 885 HZ2 TRP 113 2HZ TRP 113 -7.839 -1.592 10.694 886 HZ3 TRP 113 3HZ TRP 113 -5.107 1.017 8.713 887 HH2 TRP 113 HH TRP 113 -5.933 -1.230 9.187 888 H ALA 114 H ALA 114 -10.424 3.013 10.255 889 HA ALA 114 HA ALA 114 -12.678 2.750 10.296 890 1HB ALA 114 1HB ALA 114 -12.874 5.728 10.740 891 2HB ALA 114 2HB ALA 114 -12.792 4.505 12.007 892 3HB ALA 114 3HB ALA 114 -14.179 4.555 10.919 893 H GLU 115 H GLU 115 -10.950 3.615 8.002 894 HA GLU 115 HA GLU 115 -12.959 4.682 6.163 895 1HB GLU 115 2HB GLU 115 -10.711 4.413 4.654 896 2HB GLU 115 1HB GLU 115 -11.132 5.860 5.554 897 1HG GLU 115 2HG GLU 115 -8.802 5.240 5.890 898 2HG GLU 115 1HG GLU 115 -9.709 5.164 7.397 899 H LEU 116 H LEU 116 -10.900 1.870 6.691 900 HA LEU 116 HA LEU 116 -11.260 0.448 4.371 901 1HB LEU 116 2HB LEU 116 -11.048 -0.517 7.209 902 2HB LEU 116 1HB LEU 116 -11.074 -1.613 5.841 903 HG LEU 116 HG LEU 116 -9.005 0.534 6.316 904 1HD1 LEU 116 1HD1 LEU 116 -8.817 -1.278 7.921 905 2HD1 LEU 116 2HD1 LEU 116 -7.496 -1.349 6.751 906 3HD1 LEU 116 3HD1 LEU 116 -8.859 -2.463 6.615 907 1HD2 LEU 116 1HD2 LEU 116 -7.820 -0.488 4.451 908 2HD2 LEU 116 2HD2 LEU 116 -9.406 0.085 3.937 909 3HD2 LEU 116 3HD2 LEU 116 -9.139 -1.636 4.220 910 H LEU 117 H LEU 117 -13.431 0.533 7.162 911 HA LEU 117 HA LEU 117 -15.160 -1.514 6.404 912 1HB LEU 117 2HB LEU 117 -15.643 0.971 8.041 913 2HB LEU 117 1HB LEU 117 -16.869 -0.258 7.813 914 HG LEU 117 HG LEU 117 -15.857 -0.623 9.940 915 1HD1 LEU 117 1HD1 LEU 117 -14.755 -2.624 7.978 916 2HD1 LEU 117 2HD1 LEU 117 -16.383 -2.623 8.658 917 3HD1 LEU 117 3HD1 LEU 117 -14.990 -2.881 9.708 918 1HD2 LEU 117 1HD2 LEU 117 -13.464 -1.013 10.236 919 2HD2 LEU 117 2HD2 LEU 117 -13.781 0.601 9.601 920 3HD2 LEU 117 3HD2 LEU 117 -13.195 -0.668 8.528 921 H THR 118 H THR 118 -15.251 1.923 5.607 922 HA THR 118 HA THR 118 -17.714 1.714 4.154 923 HB THR 118 HB THR 118 -15.699 3.958 4.012 924 HG1 THR 118 1HG THR 118 -17.205 4.802 5.756 925 1HG2 THR 118 1HG2 THR 118 -18.705 3.920 3.694 926 2HG2 THR 118 2HG2 THR 118 -17.536 4.042 2.380 927 3HG2 THR 118 3HG2 THR 118 -17.665 5.339 3.567 928 H LEU 119 H LEU 119 -14.282 1.744 3.366 929 HA LEU 119 HA LEU 119 -14.641 2.021 0.554 930 1HB LEU 119 2HB LEU 119 -12.286 1.046 2.168 931 2HB LEU 119 1HB LEU 119 -12.245 1.329 0.439 932 HG LEU 119 HG LEU 119 -12.750 3.432 2.551 933 1HD1 LEU 119 1HD1 LEU 119 -10.354 2.927 0.790 934 2HD1 LEU 119 2HD1 LEU 119 -10.439 2.648 2.529 935 3HD1 LEU 119 3HD1 LEU 119 -10.556 4.288 1.892 936 1HD2 LEU 119 1HD2 LEU 119 -12.555 5.013 0.677 937 2HD2 LEU 119 2HD2 LEU 119 -13.946 3.943 0.508 938 3HD2 LEU 119 3HD2 LEU 119 -12.489 3.653 -0.445 939 H MET 120 H MET 120 -14.111 -0.768 2.688 940 HA MET 120 HA MET 120 -13.718 -2.647 0.642 941 1HB MET 120 2HB MET 120 -14.114 -4.372 2.285 942 2HB MET 120 1HB MET 120 -13.142 -3.099 3.003 943 1HG MET 120 2HG MET 120 -15.063 -2.244 4.188 944 2HG MET 120 1HG MET 120 -16.111 -3.409 3.382 945 1HE MET 120 1HE MET 120 -16.032 -6.000 3.790 946 2HE MET 120 2HE MET 120 -14.924 -6.799 4.904 947 3HE MET 120 3HE MET 120 -14.307 -6.061 3.426 948 H ARG 121 H ARG 121 -16.686 -1.585 2.260 949 HA ARG 121 HA ARG 121 -18.455 -3.457 1.294 950 1HB ARG 121 2HB ARG 121 -18.602 -0.700 2.285 951 2HB ARG 121 1HB ARG 121 -19.939 -1.177 1.260 952 1HG ARG 121 2HG ARG 121 -19.029 -2.656 3.720 953 2HG ARG 121 1HG ARG 121 -20.401 -1.548 3.645 954 1HD ARG 121 2HD ARG 121 -20.098 -4.122 2.091 955 2HD ARG 121 1HD ARG 121 -21.145 -3.870 3.489 956 HE ARG 121 HE ARG 121 -22.196 -2.071 1.962 957 1HH1 ARG 121 1HH1 ARG 121 -20.991 -5.213 0.927 958 2HH1 ARG 121 2HH1 ARG 121 -22.001 -5.250 -0.485 959 1HH2 ARG 121 1HH2 ARG 121 -23.521 -2.149 0.129 960 2HH2 ARG 121 2HH2 ARG 121 -23.422 -3.507 -0.961 961 H SER 122 H SER 122 -17.385 -0.463 -0.250 962 HA SER 122 HA SER 122 -18.914 -0.906 -2.621 963 1HB SER 122 2HB SER 122 -18.337 1.360 -1.896 964 2HB SER 122 1HB SER 122 -16.622 1.001 -2.093 965 HG SER 122 HG SER 122 -18.420 0.686 -4.249 966 H ILE 123 H ILE 123 -15.415 -1.188 -1.863 967 HA ILE 123 HA ILE 123 -14.908 -1.913 -4.639 968 HB ILE 123 HB ILE 123 -12.948 -1.530 -2.369 969 1HG1 ILE 123 2HG1 ILE 123 -13.740 0.375 -4.592 970 2HG1 ILE 123 1HG1 ILE 123 -14.260 0.513 -2.915 971 1HG2 ILE 123 1HG2 ILE 123 -11.265 -1.335 -4.130 972 2HG2 ILE 123 2HG2 ILE 123 -12.491 -1.670 -5.351 973 3HG2 ILE 123 3HG2 ILE 123 -12.056 -2.911 -4.177 974 1HD1 ILE 123 1HD1 ILE 123 -12.439 2.040 -3.424 975 2HD1 ILE 123 2HD1 ILE 123 -11.420 0.681 -3.901 976 3HD1 ILE 123 3HD1 ILE 123 -11.947 0.843 -2.224 977 H VAL 124 H VAL 124 -14.267 -3.397 -1.435 978 HA VAL 124 HA VAL 124 -14.174 -6.010 -2.754 979 HB VAL 124 HB VAL 124 -12.042 -5.211 -0.766 980 1HG1 VAL 124 1HG1 VAL 124 -12.517 -7.573 -0.763 981 2HG1 VAL 124 2HG1 VAL 124 -10.957 -7.290 -1.536 982 3HG1 VAL 124 3HG1 VAL 124 -12.378 -7.635 -2.520 983 1HG2 VAL 124 1HG2 VAL 124 -10.462 -5.173 -2.628 984 2HG2 VAL 124 2HG2 VAL 124 -11.713 -3.945 -2.828 985 3HG2 VAL 124 3HG2 VAL 124 -11.787 -5.439 -3.761 986 H ASP 125 H ASP 125 -16.270 -6.065 -1.714 987 HA ASP 125 HA ASP 125 -16.180 -6.430 1.196 988 1HB ASP 125 2HB ASP 125 -17.882 -4.870 0.184 989 2HB ASP 125 1HB ASP 125 -18.617 -6.267 -0.593 990 H THR 126 H THR 126 -17.819 -7.915 -1.578 991 HA THR 126 HA THR 126 -17.997 -10.064 -2.292 992 HB THR 126 HB THR 126 -16.054 -10.770 -0.078 993 HG1 THR 126 1HG THR 126 -15.465 -9.246 -1.939 994 1HG2 THR 126 1HG2 THR 126 -16.845 -12.294 -2.568 995 2HG2 THR 126 2HG2 THR 126 -17.317 -12.703 -0.918 996 3HG2 THR 126 3HG2 THR 126 -15.622 -12.787 -1.398 997 HA PRO 127 HA PRO 127 -21.281 -11.394 0.447 998 1HB PRO 127 2HB PRO 127 -22.058 -13.524 -1.092 999 2HB PRO 127 1HB PRO 127 -22.578 -11.859 -1.374 1000 1HG PRO 127 2HG PRO 127 -20.436 -13.433 -2.735 1001 2HG PRO 127 1HG PRO 127 -21.601 -12.291 -3.427 1002 1HD PRO 127 2HD PRO 127 -19.022 -11.629 -2.949 1003 2HD PRO 127 1HD PRO 127 -20.345 -10.452 -2.827 1004 H ALA 128 H ALA 128 -19.516 -11.988 1.946 1005 HA ALA 128 HA ALA 128 -18.441 -14.621 1.959 1006 1HB ALA 128 1HB ALA 128 -17.426 -12.744 3.210 1007 2HB ALA 128 2HB ALA 128 -17.752 -14.137 4.241 1008 3HB ALA 128 3HB ALA 128 -18.820 -12.735 4.290 1009 H ALA 129 H ALA 129 -21.188 -13.056 3.526 1010 HA ALA 129 HA ALA 129 -22.271 -15.678 4.260 1011 1HB ALA 129 1HB ALA 129 -23.948 -14.435 5.522 1012 2HB ALA 129 2HB ALA 129 -23.304 -12.914 4.902 1013 3HB ALA 129 3HB ALA 129 -22.324 -13.917 5.971 1014 H GLN 130 H GLN 130 -23.706 -12.687 2.989 1015 HA GLN 130 HA GLN 130 -24.325 -13.613 0.433 1016 1HB GLN 130 2HB GLN 130 -25.890 -15.031 2.056 1017 2HB GLN 130 1HB GLN 130 -26.860 -13.566 2.027 1018 1HG GLN 130 2HG GLN 130 -26.036 -15.165 -0.390 1019 2HG GLN 130 1HG GLN 130 -27.613 -15.218 0.391 1020 1HE2 GLN 130 1HE2 GLN 130 -28.984 -13.421 0.230 1021 2HE2 GLN 130 2HE2 GLN 130 -28.780 -12.246 -1.025 1022 H GLU 131 H GLU 131 -24.115 -11.660 -0.466 1023 HA GLU 131 HA GLU 131 -25.953 -9.553 0.051 1024 1HB GLU 131 2HB GLU 131 -24.547 -9.173 2.002 1025 2HB GLU 131 1HB GLU 131 -23.102 -9.187 1.003 1026 1HG GLU 131 2HG GLU 131 -23.750 -6.927 1.665 1027 2HG GLU 131 1HG GLU 131 -23.792 -7.140 -0.086 1028 H THR 132 H THR 132 -26.333 -9.192 -2.037 1029 HA THR 132 HA THR 132 -26.076 -8.228 -4.069 1030 HB THR 132 HB THR 132 -23.256 -7.558 -3.199 1031 HG1 THR 132 1HG THR 132 -25.267 -6.755 -1.967 1032 1HG2 THR 132 1HG2 THR 132 -23.413 -5.775 -4.877 1033 2HG2 THR 132 2HG2 THR 132 -25.013 -6.349 -5.342 1034 3HG2 THR 132 3HG2 THR 132 -23.600 -7.364 -5.622 1035 H VAL 133 H VAL 133 -25.827 -9.171 -5.984 1036 HA VAL 133 HA VAL 133 -25.005 -10.406 -7.713 1037 HB VAL 133 HB VAL 133 -22.546 -10.796 -5.993 1038 1HG1 VAL 133 1HG1 VAL 133 -22.774 -12.607 -7.616 1039 2HG1 VAL 133 2HG1 VAL 133 -21.434 -11.539 -8.038 1040 3HG1 VAL 133 3HG1 VAL 133 -22.961 -11.429 -8.915 1041 1HG2 VAL 133 1HG2 VAL 133 -21.527 -9.150 -7.529 1042 2HG2 VAL 133 2HG2 VAL 133 -22.871 -8.476 -6.607 1043 3HG2 VAL 133 3HG2 VAL 133 -23.097 -8.928 -8.297 1044 H GLN 134 H GLN 134 -24.670 -11.746 -4.488 1045 HA GLN 134 HA GLN 134 -25.394 -13.682 -3.557 1046 1HB GLN 134 2HB GLN 134 -27.394 -13.426 -5.044 1047 2HB GLN 134 1HB GLN 134 -26.564 -14.383 -6.258 1048 1HG GLN 134 2HG GLN 134 -26.485 -16.273 -4.680 1049 2HG GLN 134 1HG GLN 134 -27.388 -15.306 -3.514 1050 1HE2 GLN 134 1HE2 GLN 134 -28.119 -17.833 -4.758 1051 2HE2 GLN 134 2HE2 GLN 134 -29.615 -17.558 -5.584 Start of MODEL 11 1 1H MET 1 1HT MET 1 9.839 3.144 22.296 2 2H MET 1 2HT MET 1 9.735 3.220 20.610 3 3H MET 1 3HT MET 1 10.863 2.191 21.336 4 HA MET 1 HA MET 1 9.045 0.887 20.549 5 1HB MET 1 2HB MET 1 8.346 -0.160 22.674 6 2HB MET 1 1HB MET 1 10.070 0.179 22.650 7 1HG MET 1 2HG MET 1 9.595 2.262 23.943 8 2HG MET 1 1HG MET 1 7.926 1.712 24.096 9 1HE MET 1 1HE MET 1 9.775 2.446 26.601 10 2HE MET 1 2HE MET 1 9.359 1.131 27.696 11 3HE MET 1 3HE MET 1 8.100 1.911 26.734 12 H ALA 2 H ALA 2 6.840 0.464 20.371 13 HA ALA 2 HA ALA 2 4.654 0.986 20.029 14 1HB ALA 2 1HB ALA 2 3.423 1.864 21.921 15 2HB ALA 2 2HB ALA 2 4.922 2.410 22.672 16 3HB ALA 2 3HB ALA 2 4.617 0.684 22.463 17 H ASN 3 H ASN 3 4.503 2.271 18.258 18 HA ASN 3 HA ASN 3 4.556 4.096 16.895 19 1HB ASN 3 2HB ASN 3 2.609 4.785 18.233 20 2HB ASN 3 1HB ASN 3 3.674 5.520 19.425 21 1HD2 ASN 3 1HD2 ASN 3 2.715 7.514 19.185 22 2HD2 ASN 3 2HD2 ASN 3 2.984 8.507 17.790 23 H ASP 4 H ASP 4 6.835 3.876 16.679 24 HA ASP 4 HA ASP 4 8.423 5.559 18.493 25 1HB ASP 4 2HB ASP 4 8.626 3.071 18.817 26 2HB ASP 4 1HB ASP 4 9.343 2.988 17.210 27 H THR 5 H THR 5 8.558 7.313 17.160 28 HA THR 5 HA THR 5 9.664 8.695 15.750 29 HB THR 5 HB THR 5 11.553 6.420 15.175 30 HG1 THR 5 1HG THR 5 11.570 6.492 17.360 31 1HG2 THR 5 1HG2 THR 5 13.201 8.242 14.990 32 2HG2 THR 5 2HG2 THR 5 11.919 9.417 15.290 33 3HG2 THR 5 3HG2 THR 5 11.887 8.428 13.828 34 HA PRO 6 HA PRO 6 7.752 7.188 11.889 35 1HB PRO 6 2HB PRO 6 6.725 9.583 11.169 36 2HB PRO 6 1HB PRO 6 5.907 8.513 12.316 37 1HG PRO 6 2HG PRO 6 7.607 10.922 12.847 38 2HG PRO 6 1HG PRO 6 6.082 10.437 13.615 39 1HD PRO 6 2HD PRO 6 8.529 10.023 14.747 40 2HD PRO 6 1HD PRO 6 7.131 8.971 15.040 41 H PHE 7 H PHE 7 9.444 6.860 10.528 42 HA PHE 7 HA PHE 7 10.708 9.229 9.362 43 1HB PHE 7 2HB PHE 7 12.904 7.927 9.343 44 2HB PHE 7 1HB PHE 7 12.388 8.595 10.884 45 HD1 PHE 7 1HD PHE 7 11.916 5.405 8.961 46 HD2 PHE 7 2HD PHE 7 12.722 7.267 12.698 47 HE1 PHE 7 1HE PHE 7 12.167 3.192 10.001 48 HE2 PHE 7 2HE PHE 7 12.966 5.056 13.749 49 HZ PHE 7 HZ PHE 7 12.693 3.015 12.402 50 H SER 8 H SER 8 11.511 8.987 7.259 51 HA SER 8 HA SER 8 10.083 7.057 5.676 52 1HB SER 8 2HB SER 8 12.211 8.998 4.749 53 2HB SER 8 1HB SER 8 10.920 8.273 3.786 54 HG SER 8 HG SER 8 9.495 9.643 4.599 55 H ALA 9 H ALA 9 12.974 7.076 7.329 56 HA ALA 9 HA ALA 9 14.738 5.623 5.741 57 1HB ALA 9 1HB ALA 9 15.382 6.663 7.863 58 2HB ALA 9 2HB ALA 9 15.823 4.954 7.818 59 3HB ALA 9 3HB ALA 9 14.411 5.477 8.736 60 H LEU 10 H LEU 10 11.864 4.631 7.383 61 HA LEU 10 HA LEU 10 12.279 1.915 7.766 62 1HB LEU 10 2HB LEU 10 10.328 3.198 8.580 63 2HB LEU 10 1HB LEU 10 9.719 3.284 6.938 64 HG LEU 10 HG LEU 10 9.537 0.808 6.913 65 1HD1 LEU 10 1HD1 LEU 10 11.223 0.287 8.582 66 2HD1 LEU 10 2HD1 LEU 10 9.665 -0.402 9.037 67 3HD1 LEU 10 3HD1 LEU 10 10.247 1.060 9.830 68 1HD2 LEU 10 1HD2 LEU 10 8.053 2.193 9.147 69 2HD2 LEU 10 2HD2 LEU 10 7.563 0.700 8.346 70 3HD2 LEU 10 3HD2 LEU 10 7.607 2.212 7.440 71 H TRP 11 H TRP 11 11.570 3.674 4.824 72 HA TRP 11 HA TRP 11 10.709 1.631 3.144 73 1HB TRP 11 2HB TRP 11 10.676 4.004 2.547 74 2HB TRP 11 1HB TRP 11 12.429 4.040 2.512 75 HD1 TRP 11 HD TRP 11 12.419 4.889 0.008 76 HE1 TRP 11 1HE TRP 11 12.038 3.705 -2.238 77 HE3 TRP 11 3HE TRP 11 10.273 0.548 1.704 78 HZ2 TRP 11 2HZ TRP 11 10.996 1.270 -3.174 79 HZ3 TRP 11 3HZ TRP 11 9.620 -1.152 0.052 80 HH2 TRP 11 HH TRP 11 9.974 -0.798 -2.336 81 H GLN 12 H GLN 12 13.996 2.550 4.074 82 HA GLN 12 HA GLN 12 15.345 0.797 2.327 83 1HB GLN 12 2HB GLN 12 16.420 2.672 3.579 84 2HB GLN 12 1HB GLN 12 16.255 1.735 5.058 85 1HG GLN 12 2HG GLN 12 18.500 1.536 4.215 86 2HG GLN 12 1HG GLN 12 17.678 -0.018 4.088 87 1HE2 GLN 12 1HE2 GLN 12 17.136 -0.819 2.054 88 2HE2 GLN 12 2HE2 GLN 12 17.809 -0.173 0.600 89 H ARG 13 H ARG 13 14.084 0.388 5.602 90 HA ARG 13 HA ARG 13 15.049 -2.264 5.961 91 1HB ARG 13 2HB ARG 13 12.943 -0.614 7.333 92 2HB ARG 13 1HB ARG 13 13.163 -2.310 7.735 93 1HG ARG 13 2HG ARG 13 15.248 -0.151 7.962 94 2HG ARG 13 1HG ARG 13 14.349 -0.887 9.294 95 1HD ARG 13 2HD ARG 13 15.297 -3.105 8.527 96 2HD ARG 13 1HD ARG 13 16.371 -2.179 7.479 97 HE ARG 13 HE ARG 13 16.414 -1.399 10.267 98 1HH1 ARG 13 1HH1 ARG 13 17.852 -3.376 7.751 99 2HH1 ARG 13 2HH1 ARG 13 19.315 -3.664 8.632 100 1HH2 ARG 13 1HH2 ARG 13 18.338 -1.797 11.441 101 2HH2 ARG 13 2HH2 ARG 13 19.589 -2.781 10.737 102 H LEU 14 H LEU 14 11.993 -0.903 4.826 103 HA LEU 14 HA LEU 14 10.545 -3.297 4.629 104 1HB LEU 14 2HB LEU 14 10.327 -0.825 2.910 105 2HB LEU 14 1HB LEU 14 9.117 -2.088 3.034 106 HG LEU 14 HG LEU 14 9.974 -0.236 5.259 107 1HD1 LEU 14 1HD1 LEU 14 8.645 0.890 3.564 108 2HD1 LEU 14 2HD1 LEU 14 7.720 0.681 5.051 109 3HD1 LEU 14 3HD1 LEU 14 7.417 -0.372 3.669 110 1HD2 LEU 14 1HD2 LEU 14 8.106 -1.230 6.507 111 2HD2 LEU 14 2HD2 LEU 14 9.369 -2.406 6.146 112 3HD2 LEU 14 3HD2 LEU 14 7.874 -2.398 5.208 113 H LEU 15 H LEU 15 12.560 -1.606 2.259 114 HA LEU 15 HA LEU 15 12.226 -3.415 0.138 115 1HB LEU 15 2HB LEU 15 13.521 -1.020 0.543 116 2HB LEU 15 1HB LEU 15 14.852 -2.137 0.309 117 HG LEU 15 HG LEU 15 12.556 -1.888 -1.624 118 1HD1 LEU 15 1HD1 LEU 15 14.071 -0.562 -3.018 119 2HD1 LEU 15 2HD1 LEU 15 15.252 -0.552 -1.708 120 3HD1 LEU 15 3HD1 LEU 15 13.694 0.245 -1.497 121 1HD2 LEU 15 1HD2 LEU 15 15.298 -3.119 -1.859 122 2HD2 LEU 15 2HD2 LEU 15 14.122 -2.987 -3.165 123 3HD2 LEU 15 3HD2 LEU 15 13.767 -3.987 -1.757 124 H THR 16 H THR 16 14.204 -3.514 2.987 125 HA THR 16 HA THR 16 15.996 -5.540 2.046 126 HB THR 16 HB THR 16 15.391 -4.717 4.901 127 HG1 THR 16 1HG THR 16 16.214 -3.011 3.511 128 1HG2 THR 16 1HG2 THR 16 16.518 -6.903 4.721 129 2HG2 THR 16 2HG2 THR 16 17.576 -5.680 5.424 130 3HG2 THR 16 3HG2 THR 16 17.783 -6.162 3.740 131 H ARG 17 H ARG 17 12.810 -5.521 3.450 132 HA ARG 17 HA ARG 17 12.873 -8.444 3.563 133 1HB ARG 17 2HB ARG 17 13.384 -7.374 5.839 134 2HB ARG 17 1HB ARG 17 11.699 -6.870 5.844 135 1HG ARG 17 2HG ARG 17 11.952 -8.917 7.094 136 2HG ARG 17 1HG ARG 17 11.019 -9.227 5.626 137 1HD ARG 17 2HD ARG 17 13.022 -10.075 4.525 138 2HD ARG 17 1HD ARG 17 13.965 -9.751 5.978 139 HE ARG 17 HE ARG 17 11.769 -11.441 6.580 140 1HH1 ARG 17 1HH1 ARG 17 14.906 -11.435 5.025 141 2HH1 ARG 17 2HH1 ARG 17 15.194 -13.123 5.314 142 1HH2 ARG 17 1HH2 ARG 17 12.140 -13.680 6.962 143 2HH2 ARG 17 2HH2 ARG 17 13.622 -14.407 6.395 144 H GLY 18 H GLY 18 11.472 -8.566 1.812 145 1HA GLY 18 2HA GLY 18 9.278 -9.362 1.442 146 2HA GLY 18 1HA GLY 18 8.701 -8.290 2.705 147 H TRP 19 H TRP 19 9.241 -5.839 2.047 148 HA TRP 19 HA TRP 19 7.268 -5.347 0.113 149 1HB TRP 19 2HB TRP 19 9.272 -3.500 1.399 150 2HB TRP 19 1HB TRP 19 7.974 -2.944 0.349 151 HD1 TRP 19 HD TRP 19 8.192 -5.159 3.551 152 HE1 TRP 19 1HE TRP 19 6.235 -4.513 5.088 153 HE3 TRP 19 3HE TRP 19 5.985 -1.601 0.618 154 HZ2 TRP 19 2HZ TRP 19 4.053 -2.726 5.072 155 HZ3 TRP 19 3HZ TRP 19 3.969 -0.468 1.453 156 HH2 TRP 19 HH TRP 19 3.023 -1.019 3.633 157 H GLN 20 H GLN 20 7.315 -5.187 -1.989 158 HA GLN 20 HA GLN 20 9.884 -5.204 -3.376 159 1HB GLN 20 2HB GLN 20 7.095 -5.941 -4.273 160 2HB GLN 20 1HB GLN 20 8.521 -6.015 -5.286 161 1HG GLN 20 2HG GLN 20 9.498 -7.701 -3.853 162 2HG GLN 20 1HG GLN 20 8.122 -7.590 -2.757 163 1HE2 GLN 20 1HE2 GLN 20 7.628 -9.780 -3.028 164 2HE2 GLN 20 2HE2 GLN 20 6.930 -10.391 -4.484 165 HA PRO 21 HA PRO 21 8.933 -1.047 -4.860 166 1HB PRO 21 2HB PRO 21 11.322 -1.408 -6.502 167 2HB PRO 21 1HB PRO 21 11.020 -0.236 -5.217 168 1HG PRO 21 2HG PRO 21 12.768 -2.290 -4.959 169 2HG PRO 21 1HG PRO 21 11.874 -1.609 -3.590 170 1HD PRO 21 2HD PRO 21 11.359 -4.117 -5.133 171 2HD PRO 21 1HD PRO 21 11.204 -3.813 -3.390 172 H VAL 22 H VAL 22 7.425 -0.838 -6.393 173 HA VAL 22 HA VAL 22 7.608 -2.554 -8.773 174 HB VAL 22 HB VAL 22 5.166 -1.975 -9.101 175 1HG1 VAL 22 1HG1 VAL 22 4.403 -3.593 -7.410 176 2HG1 VAL 22 2HG1 VAL 22 5.963 -3.458 -6.596 177 3HG1 VAL 22 3HG1 VAL 22 5.872 -4.129 -8.224 178 1HG2 VAL 22 1HG2 VAL 22 3.932 -1.190 -7.130 179 2HG2 VAL 22 2HG2 VAL 22 5.086 0.020 -7.691 180 3HG2 VAL 22 3HG2 VAL 22 5.455 -0.959 -6.271 181 H GLU 23 H GLU 23 6.548 -1.608 -10.747 182 HA GLU 23 HA GLU 23 7.254 1.205 -11.125 183 1HB GLU 23 2HB GLU 23 8.330 -1.029 -12.863 184 2HB GLU 23 1HB GLU 23 8.574 0.690 -13.129 185 1HG GLU 23 2HG GLU 23 9.870 0.840 -11.076 186 2HG GLU 23 1HG GLU 23 9.585 -0.873 -10.764 187 H ALA 24 H ALA 24 6.491 1.992 -13.275 188 HA ALA 24 HA ALA 24 3.792 1.175 -13.672 189 1HB ALA 24 1HB ALA 24 5.474 3.021 -15.359 190 2HB ALA 24 2HB ALA 24 4.539 3.498 -13.941 191 3HB ALA 24 3HB ALA 24 3.716 2.894 -15.380 192 H SER 25 H SER 25 6.755 0.175 -15.015 193 HA SER 25 HA SER 25 5.644 -0.766 -17.494 194 1HB SER 25 2HB SER 25 8.027 -1.845 -17.567 195 2HB SER 25 1HB SER 25 7.854 -0.097 -17.737 196 HG SER 25 HG SER 25 9.377 -0.293 -16.204 197 H THR 26 H THR 26 7.272 -2.367 -14.756 198 HA THR 26 HA THR 26 6.536 -4.966 -15.630 199 HB THR 26 HB THR 26 8.575 -4.495 -14.303 200 HG1 THR 26 1HG THR 26 8.443 -6.532 -13.806 201 1HG2 THR 26 1HG2 THR 26 7.656 -2.877 -12.722 202 2HG2 THR 26 2HG2 THR 26 8.403 -4.229 -11.870 203 3HG2 THR 26 3HG2 THR 26 6.648 -4.135 -12.005 204 H VAL 27 H VAL 27 4.851 -2.611 -13.774 205 HA VAL 27 HA VAL 27 3.379 -4.284 -12.055 206 HB VAL 27 HB VAL 27 3.521 -1.777 -11.873 207 1HG1 VAL 27 1HG1 VAL 27 1.424 -1.843 -14.031 208 2HG1 VAL 27 2HG1 VAL 27 3.056 -1.191 -14.177 209 3HG1 VAL 27 3HG1 VAL 27 1.894 -0.426 -13.092 210 1HG2 VAL 27 1HG2 VAL 27 1.971 -3.031 -10.509 211 2HG2 VAL 27 2HG2 VAL 27 0.772 -3.005 -11.802 212 3HG2 VAL 27 3HG2 VAL 27 1.242 -1.504 -11.003 213 H ASP 28 H ASP 28 3.050 -3.585 -15.435 214 HA ASP 28 HA ASP 28 0.343 -4.253 -15.823 215 1HB ASP 28 2HB ASP 28 1.870 -3.139 -17.495 216 2HB ASP 28 1HB ASP 28 2.626 -4.703 -17.764 217 H ASP 29 H ASP 29 3.291 -6.200 -16.075 218 HA ASP 29 HA ASP 29 1.870 -8.640 -16.552 219 1HB ASP 29 2HB ASP 29 4.184 -8.204 -17.386 220 2HB ASP 29 1HB ASP 29 4.757 -8.261 -15.724 221 H TRP 30 H TRP 30 3.316 -7.033 -13.795 222 HA TRP 30 HA TRP 30 3.246 -9.110 -11.930 223 1HB TRP 30 2HB TRP 30 4.384 -6.876 -11.683 224 2HB TRP 30 1HB TRP 30 2.806 -6.175 -11.353 225 HD1 TRP 30 HD TRP 30 5.362 -8.612 -9.816 226 HE1 TRP 30 1HE TRP 30 4.952 -8.715 -7.276 227 HE3 TRP 30 3HE TRP 30 1.097 -5.804 -9.553 228 HZ2 TRP 30 2HZ TRP 30 3.079 -7.748 -5.413 229 HZ3 TRP 30 3HZ TRP 30 0.060 -5.444 -7.351 230 HH2 TRP 30 HH TRP 30 1.029 -6.396 -5.324 231 H ILE 31 H ILE 31 0.809 -6.570 -12.550 232 HA ILE 31 HA ILE 31 -1.064 -7.448 -10.648 233 HB ILE 31 HB ILE 31 -1.432 -5.891 -13.207 234 1HG1 ILE 31 2HG1 ILE 31 -0.151 -4.766 -11.454 235 2HG1 ILE 31 1HG1 ILE 31 -1.718 -3.992 -11.664 236 1HG2 ILE 31 1HG2 ILE 31 -3.674 -5.299 -12.397 237 2HG2 ILE 31 2HG2 ILE 31 -3.488 -6.435 -11.061 238 3HG2 ILE 31 3HG2 ILE 31 -3.525 -7.026 -12.721 239 1HD1 ILE 31 1HD1 ILE 31 -0.977 -5.918 -9.478 240 2HD1 ILE 31 2HD1 ILE 31 -2.557 -5.164 -9.688 241 3HD1 ILE 31 3HD1 ILE 31 -1.145 -4.170 -9.320 242 H LYS 32 H LYS 32 -0.743 -8.193 -14.079 243 HA LYS 32 HA LYS 32 -3.024 -9.868 -14.235 244 1HB LYS 32 2HB LYS 32 -2.171 -8.788 -16.200 245 2HB LYS 32 1HB LYS 32 -0.588 -9.501 -15.985 246 1HG LYS 32 2HG LYS 32 -2.943 -11.267 -16.455 247 2HG LYS 32 1HG LYS 32 -2.217 -10.396 -17.804 248 1HD LYS 32 2HD LYS 32 -0.869 -12.379 -15.976 249 2HD LYS 32 1HD LYS 32 -1.239 -12.587 -17.688 250 1HE LYS 32 2HE LYS 32 0.306 -10.741 -18.217 251 2HE LYS 32 1HE LYS 32 0.700 -10.600 -16.505 252 1HZ LYS 32 1HZ LYS 32 1.265 -12.884 -18.303 253 2HZ LYS 32 2HZ LYS 32 1.433 -12.970 -16.618 254 3HZ LYS 32 3HZ LYS 32 2.385 -11.879 -17.511 255 H ARG 33 H ARG 33 0.155 -10.349 -13.049 256 HA ARG 33 HA ARG 33 0.297 -13.181 -13.488 257 1HB ARG 33 2HB ARG 33 2.105 -11.187 -12.867 258 2HB ARG 33 1HB ARG 33 1.989 -12.094 -11.365 259 1HG ARG 33 2HG ARG 33 2.630 -13.284 -14.055 260 2HG ARG 33 1HG ARG 33 3.815 -12.856 -12.822 261 1HD ARG 33 2HD ARG 33 2.765 -14.439 -11.276 262 2HD ARG 33 1HD ARG 33 1.597 -14.875 -12.522 263 HE ARG 33 HE ARG 33 3.804 -15.431 -13.813 264 1HH1 ARG 33 1HH1 ARG 33 3.001 -16.105 -10.474 265 2HH1 ARG 33 2HH1 ARG 33 4.082 -17.466 -10.361 266 1HH2 ARG 33 1HH2 ARG 33 5.173 -17.219 -13.694 267 2HH2 ARG 33 2HH2 ARG 33 5.322 -18.106 -12.208 268 H VAL 34 H VAL 34 -0.648 -11.078 -10.829 269 HA VAL 34 HA VAL 34 -1.159 -13.454 -9.183 270 HB VAL 34 HB VAL 34 -1.376 -11.781 -7.288 271 1HG1 VAL 34 1HG1 VAL 34 0.567 -13.213 -7.565 272 2HG1 VAL 34 2HG1 VAL 34 1.054 -11.617 -6.995 273 3HG1 VAL 34 3HG1 VAL 34 1.282 -12.056 -8.688 274 1HG2 VAL 34 1HG2 VAL 34 -1.684 -9.745 -8.533 275 2HG2 VAL 34 2HG2 VAL 34 -0.142 -9.969 -9.358 276 3HG2 VAL 34 3HG2 VAL 34 -0.175 -9.637 -7.626 277 H GLY 35 H GLY 35 -2.676 -10.393 -10.173 278 1HA GLY 35 2HA GLY 35 -4.966 -10.340 -10.868 279 2HA GLY 35 1HA GLY 35 -5.288 -11.690 -9.792 280 H ASP 36 H ASP 36 -3.895 -10.623 -7.538 281 HA ASP 36 HA ASP 36 -5.572 -8.311 -6.841 282 1HB ASP 36 2HB ASP 36 -5.868 -9.256 -4.624 283 2HB ASP 36 1HB ASP 36 -6.407 -10.421 -5.823 284 H GLY 37 H GLY 37 -4.681 -6.907 -5.209 285 1HA GLY 37 2HA GLY 37 -2.531 -7.040 -3.663 286 2HA GLY 37 1HA GLY 37 -1.765 -6.875 -5.231 287 H VAL 38 H VAL 38 -1.001 -4.975 -3.746 288 HA VAL 38 HA VAL 38 -2.581 -2.646 -4.558 289 HB VAL 38 HB VAL 38 -2.037 -1.549 -2.355 290 1HG1 VAL 38 1HG1 VAL 38 -3.917 -2.580 -1.160 291 2HG1 VAL 38 2HG1 VAL 38 -3.888 -3.933 -2.294 292 3HG1 VAL 38 3HG1 VAL 38 -4.282 -2.311 -2.864 293 1HG2 VAL 38 1HG2 VAL 38 -1.464 -4.388 -1.505 294 2HG2 VAL 38 2HG2 VAL 38 -1.581 -2.990 -0.435 295 3HG2 VAL 38 3HG2 VAL 38 -0.288 -3.081 -1.630 296 H ILE 39 H ILE 39 -1.406 -1.049 -5.393 297 HA ILE 39 HA ILE 39 1.521 -1.136 -5.075 298 HB ILE 39 HB ILE 39 -0.207 0.026 -7.261 299 1HG1 ILE 39 2HG1 ILE 39 1.427 -1.207 -8.722 300 2HG1 ILE 39 1HG1 ILE 39 2.139 -1.892 -7.268 301 1HG2 ILE 39 1HG2 ILE 39 2.709 0.634 -6.805 302 2HG2 ILE 39 2HG2 ILE 39 1.370 1.771 -6.662 303 3HG2 ILE 39 3HG2 ILE 39 1.775 1.082 -8.234 304 1HD1 ILE 39 1HD1 ILE 39 0.616 -3.453 -8.316 305 2HD1 ILE 39 2HD1 ILE 39 -0.694 -2.275 -8.224 306 3HD1 ILE 39 3HD1 ILE 39 -0.011 -2.952 -6.744 307 H LEU 40 H LEU 40 2.281 0.234 -3.613 308 HA LEU 40 HA LEU 40 0.767 2.633 -2.917 309 1HB LEU 40 2HB LEU 40 2.016 0.871 -1.350 310 2HB LEU 40 1HB LEU 40 3.377 1.929 -1.653 311 HG LEU 40 HG LEU 40 0.754 2.799 -0.425 312 1HD1 LEU 40 1HD1 LEU 40 3.435 2.290 0.852 313 2HD1 LEU 40 2HD1 LEU 40 1.989 1.299 1.045 314 3HD1 LEU 40 3HD1 LEU 40 2.014 2.951 1.658 315 1HD2 LEU 40 1HD2 LEU 40 1.933 4.861 0.113 316 2HD2 LEU 40 2HD2 LEU 40 1.891 4.600 -1.631 317 3HD2 LEU 40 3HD2 LEU 40 3.369 4.272 -0.725 318 H LEU 41 H LEU 41 1.262 4.563 -3.784 319 HA LEU 41 HA LEU 41 3.702 4.827 -5.364 320 1HB LEU 41 2HB LEU 41 1.221 6.497 -5.098 321 2HB LEU 41 1HB LEU 41 2.650 7.112 -5.903 322 HG LEU 41 HG LEU 41 2.492 5.162 -7.493 323 1HD1 LEU 41 1HD1 LEU 41 -0.203 4.810 -6.194 324 2HD1 LEU 41 2HD1 LEU 41 1.149 3.683 -6.095 325 3HD1 LEU 41 3HD1 LEU 41 0.363 3.983 -7.646 326 1HD2 LEU 41 1HD2 LEU 41 0.117 7.015 -7.389 327 2HD2 LEU 41 2HD2 LEU 41 0.695 6.143 -8.810 328 3HD2 LEU 41 3HD2 LEU 41 1.694 7.400 -8.077 329 H SER 42 H SER 42 5.453 5.764 -4.636 330 HA SER 42 HA SER 42 6.907 7.000 -3.423 331 1HB SER 42 2HB SER 42 5.387 8.887 -4.078 332 2HB SER 42 1HB SER 42 4.509 8.650 -2.569 333 HG SER 42 HG SER 42 5.950 10.123 -1.974 334 H SER 43 H SER 43 7.168 7.920 -1.010 335 HA SER 43 HA SER 43 6.252 5.761 0.748 336 1HB SER 43 2HB SER 43 8.427 7.821 1.223 337 2HB SER 43 1HB SER 43 8.076 6.417 2.234 338 HG SER 43 HG SER 43 8.413 5.610 -0.287 339 H ASP 44 H ASP 44 6.759 9.281 0.855 340 HA ASP 44 HA ASP 44 4.190 9.722 2.066 341 1HB ASP 44 2HB ASP 44 5.003 10.727 4.133 342 2HB ASP 44 1HB ASP 44 5.553 9.059 4.035 343 HA PRO 45 HA PRO 45 5.119 13.774 0.367 344 1HB PRO 45 2HB PRO 45 3.287 15.291 1.624 345 2HB PRO 45 1HB PRO 45 2.825 14.124 0.378 346 1HG PRO 45 2HG PRO 45 2.627 13.907 3.346 347 2HG PRO 45 1HG PRO 45 1.502 13.340 2.101 348 1HD PRO 45 2HD PRO 45 3.340 11.744 3.421 349 2HD PRO 45 1HD PRO 45 2.607 11.361 1.852 350 H ARG 46 H ARG 46 6.790 15.034 0.923 351 HA ARG 46 HA ARG 46 8.047 14.879 3.389 352 1HB ARG 46 2HB ARG 46 8.310 17.061 1.318 353 2HB ARG 46 1HB ARG 46 9.434 16.773 2.638 354 1HG ARG 46 2HG ARG 46 8.818 14.676 0.580 355 2HG ARG 46 1HG ARG 46 10.074 15.889 0.345 356 1HD ARG 46 2HD ARG 46 11.069 13.870 1.204 357 2HD ARG 46 1HD ARG 46 11.158 15.131 2.430 358 HE ARG 46 HE ARG 46 8.907 13.299 2.621 359 1HH1 ARG 46 1HH1 ARG 46 12.172 14.067 3.672 360 2HH1 ARG 46 2HH1 ARG 46 12.022 13.190 5.168 361 1HH2 ARG 46 1HH2 ARG 46 8.716 12.131 4.539 362 2HH2 ARG 46 2HH2 ARG 46 10.065 12.053 5.639 363 H ARG 47 H ARG 47 7.237 18.156 2.359 364 HA ARG 47 HA ARG 47 6.123 19.870 3.364 365 1HB ARG 47 2HB ARG 47 4.207 18.355 3.208 366 2HB ARG 47 1HB ARG 47 4.640 17.624 4.745 367 1HG ARG 47 2HG ARG 47 4.362 20.003 5.696 368 2HG ARG 47 1HG ARG 47 3.489 20.327 4.194 369 1HD ARG 47 2HD ARG 47 1.964 19.672 5.991 370 2HD ARG 47 1HD ARG 47 1.959 18.494 4.679 371 HE ARG 47 HE ARG 47 3.178 16.982 6.060 372 1HH1 ARG 47 1HH1 ARG 47 2.136 19.893 7.695 373 2HH1 ARG 47 2HH1 ARG 47 2.309 19.229 9.286 374 1HH2 ARG 47 1HH2 ARG 47 3.418 16.080 8.151 375 2HH2 ARG 47 2HH2 ARG 47 3.059 17.057 9.551 376 H THR 48 H THR 48 8.177 17.924 5.035 377 HA THR 48 HA THR 48 9.273 17.970 7.018 378 HB THR 48 HB THR 48 7.762 20.497 7.715 379 HG1 THR 48 1HG THR 48 9.476 20.123 5.725 380 1HG2 THR 48 1HG2 THR 48 8.896 19.466 9.600 381 2HG2 THR 48 2HG2 THR 48 9.752 20.930 9.117 382 3HG2 THR 48 3HG2 THR 48 10.388 19.348 8.666 383 HA PRO 49 HA PRO 49 5.533 15.999 8.833 384 1HB PRO 49 2HB PRO 49 7.267 13.705 9.262 385 2HB PRO 49 1HB PRO 49 5.831 13.831 8.247 386 1HG PRO 49 2HG PRO 49 8.334 13.544 7.237 387 2HG PRO 49 1HG PRO 49 7.038 14.399 6.382 388 1HD PRO 49 2HD PRO 49 9.308 15.518 7.987 389 2HD PRO 49 1HD PRO 49 8.646 16.076 6.435 390 H GLU 50 H GLU 50 5.279 14.830 10.990 391 HA GLU 50 HA GLU 50 7.375 15.128 12.913 392 1HB GLU 50 2HB GLU 50 6.619 17.497 12.564 393 2HB GLU 50 1HB GLU 50 5.051 17.030 13.208 394 1HG GLU 50 2HG GLU 50 5.963 16.572 15.342 395 2HG GLU 50 1HG GLU 50 7.614 16.681 14.733 396 H VAL 51 H VAL 51 3.813 15.472 13.149 397 HA VAL 51 HA VAL 51 3.904 13.734 15.458 398 HB VAL 51 HB VAL 51 1.455 14.281 15.662 399 1HG1 VAL 51 1HG1 VAL 51 3.179 15.476 16.901 400 2HG1 VAL 51 2HG1 VAL 51 1.875 16.566 16.431 401 3HG1 VAL 51 3HG1 VAL 51 3.400 16.584 15.545 402 1HG2 VAL 51 1HG2 VAL 51 0.587 16.146 14.354 403 2HG2 VAL 51 2HG2 VAL 51 1.026 14.804 13.300 404 3HG2 VAL 51 3HG2 VAL 51 2.083 16.209 13.422 405 H SER 52 H SER 52 4.587 12.024 13.721 406 HA SER 52 HA SER 52 4.162 9.941 12.926 407 1HB SER 52 2HB SER 52 1.631 10.227 14.565 408 2HB SER 52 1HB SER 52 2.284 8.711 13.940 409 HG SER 52 HG SER 52 3.619 8.658 15.560 410 H ASP 53 H ASP 53 3.303 12.182 11.284 411 HA ASP 53 HA ASP 53 0.849 11.307 10.013 412 1HB ASP 53 2HB ASP 53 1.316 13.202 8.435 413 2HB ASP 53 1HB ASP 53 1.185 13.678 10.122 414 H ASN 54 H ASN 54 3.145 9.532 10.097 415 HA ASN 54 HA ASN 54 3.975 9.305 7.300 416 1HB ASN 54 2HB ASN 54 5.544 9.089 9.359 417 2HB ASN 54 1HB ASN 54 4.812 7.505 9.570 418 1HD2 ASN 54 1HD2 ASN 54 5.677 9.173 6.569 419 2HD2 ASN 54 2HD2 ASN 54 6.825 7.993 6.048 420 HA PRO 55 HA PRO 55 0.817 6.204 6.664 421 1HB PRO 55 2HB PRO 55 2.376 5.318 4.346 422 2HB PRO 55 1HB PRO 55 0.771 6.049 4.402 423 1HG PRO 55 2HG PRO 55 2.911 7.376 3.447 424 2HG PRO 55 1HG PRO 55 1.602 8.201 4.315 425 1HD PRO 55 2HD PRO 55 4.302 7.348 5.309 426 2HD PRO 55 1HD PRO 55 3.421 8.865 5.600 427 H VAL 56 H VAL 56 1.127 4.753 8.328 428 HA VAL 56 HA VAL 56 2.989 2.524 7.778 429 HB VAL 56 HB VAL 56 1.920 3.305 10.499 430 1HG1 VAL 56 1HG1 VAL 56 2.641 0.993 10.336 431 2HG1 VAL 56 2HG1 VAL 56 3.774 1.910 11.330 432 3HG1 VAL 56 3HG1 VAL 56 4.188 1.501 9.666 433 1HG2 VAL 56 1HG2 VAL 56 3.284 5.134 9.618 434 2HG2 VAL 56 2HG2 VAL 56 4.600 4.002 9.304 435 3HG2 VAL 56 3HG2 VAL 56 4.084 4.318 10.960 436 H MET 57 H MET 57 -0.132 3.413 7.622 437 HA MET 57 HA MET 57 -1.611 1.535 9.064 438 1HB MET 57 2HB MET 57 -2.447 2.691 6.403 439 2HB MET 57 1HB MET 57 -3.489 2.125 7.696 440 1HG MET 57 2HG MET 57 -3.591 4.462 7.756 441 2HG MET 57 1HG MET 57 -2.550 3.996 9.102 442 1HE MET 57 1HE MET 57 -1.142 7.460 7.677 443 2HE MET 57 2HE MET 57 -1.903 6.679 9.065 444 3HE MET 57 3HE MET 57 -2.823 6.933 7.584 445 H ILE 58 H ILE 58 -0.113 1.299 5.907 446 HA ILE 58 HA ILE 58 -1.672 -0.816 4.892 447 HB ILE 58 HB ILE 58 1.122 0.047 4.103 448 1HG1 ILE 58 2HG1 ILE 58 -0.256 0.950 2.085 449 2HG1 ILE 58 1HG1 ILE 58 -1.630 0.835 3.176 450 1HG2 ILE 58 1HG2 ILE 58 0.701 -1.141 1.997 451 2HG2 ILE 58 2HG2 ILE 58 -0.819 -1.749 2.654 452 3HG2 ILE 58 3HG2 ILE 58 0.714 -2.233 3.384 453 1HD1 ILE 58 1HD1 ILE 58 0.859 2.419 3.760 454 2HD1 ILE 58 2HD1 ILE 58 -0.654 2.427 4.667 455 3HD1 ILE 58 3HD1 ILE 58 -0.602 3.088 3.035 456 H ALA 59 H ALA 59 1.179 -0.764 6.923 457 HA ALA 59 HA ALA 59 2.065 -3.400 6.487 458 1HB ALA 59 1HB ALA 59 3.281 -3.144 8.596 459 2HB ALA 59 2HB ALA 59 2.358 -1.684 8.947 460 3HB ALA 59 3HB ALA 59 3.455 -1.725 7.566 461 H GLU 60 H GLU 60 0.007 -2.071 9.079 462 HA GLU 60 HA GLU 60 -0.552 -4.661 10.178 463 1HB GLU 60 2HB GLU 60 -0.553 -2.353 11.368 464 2HB GLU 60 1HB GLU 60 -2.180 -2.191 10.719 465 1HG GLU 60 2HG GLU 60 -2.376 -3.009 12.933 466 2HG GLU 60 1HG GLU 60 -2.759 -4.340 11.843 467 H LEU 61 H LEU 61 -2.005 -2.541 7.842 468 HA LEU 61 HA LEU 61 -4.640 -3.361 7.730 469 1HB LEU 61 2HB LEU 61 -3.505 -1.552 6.394 470 2HB LEU 61 1HB LEU 61 -2.908 -2.798 5.331 471 HG LEU 61 HG LEU 61 -5.235 -3.424 4.776 472 1HD1 LEU 61 1HD1 LEU 61 -6.291 -2.640 6.847 473 2HD1 LEU 61 2HD1 LEU 61 -7.068 -1.971 5.412 474 3HD1 LEU 61 3HD1 LEU 61 -5.972 -0.972 6.368 475 1HD2 LEU 61 1HD2 LEU 61 -4.000 -1.899 3.344 476 2HD2 LEU 61 2HD2 LEU 61 -4.526 -0.528 4.321 477 3HD2 LEU 61 3HD2 LEU 61 -5.707 -1.456 3.395 478 H LEU 62 H LEU 62 -1.838 -4.753 6.144 479 HA LEU 62 HA LEU 62 -2.966 -6.712 4.583 480 1HB LEU 62 2HB LEU 62 -0.584 -6.223 4.592 481 2HB LEU 62 1HB LEU 62 -0.429 -6.874 6.209 482 HG LEU 62 HG LEU 62 -1.021 -9.113 5.350 483 1HD1 LEU 62 1HD1 LEU 62 -0.926 -7.780 2.648 484 2HD1 LEU 62 2HD1 LEU 62 -2.366 -8.428 3.436 485 3HD1 LEU 62 3HD1 LEU 62 -1.063 -9.512 2.946 486 1HD2 LEU 62 1HD2 LEU 62 1.284 -7.773 3.943 487 2HD2 LEU 62 2HD2 LEU 62 1.083 -9.511 4.160 488 3HD2 LEU 62 3HD2 LEU 62 1.313 -8.468 5.564 489 H ARG 63 H ARG 63 -2.363 -6.833 8.056 490 HA ARG 63 HA ARG 63 -3.229 -9.598 8.210 491 1HB ARG 63 2HB ARG 63 -2.332 -7.645 10.330 492 2HB ARG 63 1HB ARG 63 -2.794 -9.309 10.658 493 1HG ARG 63 2HG ARG 63 -0.980 -10.092 9.213 494 2HG ARG 63 1HG ARG 63 -0.509 -8.418 8.907 495 1HD ARG 63 2HD ARG 63 -0.049 -8.094 11.268 496 2HD ARG 63 1HD ARG 63 -0.590 -9.735 11.616 497 HE ARG 63 HE ARG 63 1.517 -9.732 9.705 498 1HH1 ARG 63 1HH1 ARG 63 0.874 -9.333 13.128 499 2HH1 ARG 63 2HH1 ARG 63 2.442 -9.904 13.612 500 1HH2 ARG 63 1HH2 ARG 63 3.562 -10.471 10.328 501 2HH2 ARG 63 2HH2 ARG 63 3.984 -10.564 12.019 502 H GLU 64 H GLU 64 -4.521 -6.420 8.772 503 HA GLU 64 HA GLU 64 -6.717 -7.289 10.400 504 1HB GLU 64 2HB GLU 64 -5.762 -4.996 10.508 505 2HB GLU 64 1HB GLU 64 -6.375 -4.692 8.890 506 1HG GLU 64 2HG GLU 64 -7.885 -3.699 10.417 507 2HG GLU 64 1HG GLU 64 -8.672 -5.134 9.761 508 H PHE 65 H PHE 65 -6.204 -6.616 6.984 509 HA PHE 65 HA PHE 65 -8.887 -6.470 6.178 510 1HB PHE 65 2HB PHE 65 -6.455 -6.169 4.931 511 2HB PHE 65 1HB PHE 65 -7.058 -7.649 4.199 512 HD1 PHE 65 1HD PHE 65 -8.079 -4.164 4.982 513 HD2 PHE 65 2HD PHE 65 -8.531 -7.529 2.420 514 HE1 PHE 65 1HE PHE 65 -9.505 -2.827 3.490 515 HE2 PHE 65 2HE PHE 65 -9.963 -6.199 0.924 516 HZ PHE 65 HZ PHE 65 -10.453 -3.848 1.459 517 HA PRO 66 HA PRO 66 -9.674 -10.842 6.791 518 1HB PRO 66 2HB PRO 66 -12.321 -10.679 7.068 519 2HB PRO 66 1HB PRO 66 -11.235 -10.059 8.316 520 1HG PRO 66 2HG PRO 66 -12.770 -8.575 6.231 521 2HG PRO 66 1HG PRO 66 -12.448 -8.129 7.915 522 1HD PRO 66 2HD PRO 66 -11.051 -7.192 5.690 523 2HD PRO 66 1HD PRO 66 -10.486 -7.115 7.370 524 H GLN 67 H GLN 67 -10.220 -8.983 4.114 525 HA GLN 67 HA GLN 67 -12.066 -10.702 2.732 526 1HB GLN 67 2HB GLN 67 -10.373 -8.389 1.781 527 2HB GLN 67 1HB GLN 67 -11.521 -9.245 0.763 528 1HG GLN 67 2HG GLN 67 -12.156 -7.698 3.263 529 2HG GLN 67 1HG GLN 67 -12.480 -7.190 1.606 530 1HE2 GLN 67 1HE2 GLN 67 -13.426 -9.283 4.202 531 2HE2 GLN 67 2HE2 GLN 67 -14.943 -9.769 3.535 532 H PHE 68 H PHE 68 -8.589 -9.995 2.492 533 HA PHE 68 HA PHE 68 -7.904 -12.643 1.827 534 1HB PHE 68 2HB PHE 68 -7.011 -12.016 -0.535 535 2HB PHE 68 1HB PHE 68 -8.705 -12.442 -0.350 536 HD1 PHE 68 1HD PHE 68 -6.892 -9.222 0.279 537 HD2 PHE 68 2HD PHE 68 -9.884 -11.295 -1.936 538 HE1 PHE 68 1HE PHE 68 -7.547 -7.118 -0.813 539 HE2 PHE 68 2HE PHE 68 -10.546 -9.192 -3.019 540 HZ PHE 68 HZ PHE 68 -9.379 -7.103 -2.461 541 H ASP 69 H ASP 69 -5.618 -12.905 1.334 542 HA ASP 69 HA ASP 69 -3.994 -10.783 2.504 543 1HB ASP 69 2HB ASP 69 -3.311 -13.621 1.690 544 2HB ASP 69 1HB ASP 69 -2.145 -12.481 2.348 545 H TRP 70 H TRP 70 -4.146 -9.296 0.783 546 HA TRP 70 HA TRP 70 -3.401 -10.050 -1.873 547 1HB TRP 70 2HB TRP 70 -3.478 -7.521 -2.261 548 2HB TRP 70 1HB TRP 70 -4.974 -8.330 -1.823 549 HD1 TRP 70 HD TRP 70 -2.777 -7.737 1.175 550 HE1 TRP 70 1HE TRP 70 -3.711 -5.768 2.545 551 HE3 TRP 70 3HE TRP 70 -6.144 -5.931 -2.206 552 HZ2 TRP 70 2HZ TRP 70 -5.617 -3.716 2.231 553 HZ3 TRP 70 3HZ TRP 70 -7.488 -3.962 -1.594 554 HH2 TRP 70 HH TRP 70 -7.227 -2.878 0.575 555 H GLN 71 H GLN 71 -1.701 -9.053 -3.103 556 HA GLN 71 HA GLN 71 0.812 -9.200 -1.725 557 1HB GLN 71 2HB GLN 71 0.094 -8.641 -4.605 558 2HB GLN 71 1HB GLN 71 1.746 -8.656 -4.019 559 1HG GLN 71 2HG GLN 71 1.151 -10.743 -5.118 560 2HG GLN 71 1HG GLN 71 1.554 -10.990 -3.423 561 1HE2 GLN 71 1HE2 GLN 71 -1.066 -10.781 -5.730 562 2HE2 GLN 71 2HE2 GLN 71 -2.214 -11.694 -4.814 563 H VAL 72 H VAL 72 1.592 -7.548 -0.612 564 HA VAL 72 HA VAL 72 0.783 -4.827 -1.261 565 HB VAL 72 HB VAL 72 2.475 -5.859 1.028 566 1HG1 VAL 72 1HG1 VAL 72 2.065 -3.666 2.044 567 2HG1 VAL 72 2HG1 VAL 72 1.241 -3.146 0.573 568 3HG1 VAL 72 3HG1 VAL 72 2.961 -3.535 0.531 569 1HG2 VAL 72 1HG2 VAL 72 0.201 -6.709 1.151 570 2HG2 VAL 72 2HG2 VAL 72 -0.440 -5.079 0.942 571 3HG2 VAL 72 3HG2 VAL 72 0.462 -5.489 2.401 572 H ALA 73 H ALA 73 1.974 -3.549 -2.512 573 HA ALA 73 HA ALA 73 4.893 -3.833 -2.471 574 1HB ALA 73 1HB ALA 73 3.241 -3.638 -4.989 575 2HB ALA 73 2HB ALA 73 4.091 -5.074 -4.422 576 3HB ALA 73 3HB ALA 73 5.004 -3.643 -4.901 577 H VAL 74 H VAL 74 6.008 -1.917 -3.312 578 HA VAL 74 HA VAL 74 4.423 0.536 -3.384 579 HB VAL 74 HB VAL 74 4.846 0.332 -1.015 580 1HG1 VAL 74 1HG1 VAL 74 7.097 0.134 -0.087 581 2HG1 VAL 74 2HG1 VAL 74 7.758 -0.001 -1.716 582 3HG1 VAL 74 3HG1 VAL 74 6.684 -1.253 -1.093 583 1HG2 VAL 74 1HG2 VAL 74 5.049 2.584 -1.928 584 2HG2 VAL 74 2HG2 VAL 74 6.768 2.325 -2.227 585 3HG2 VAL 74 3HG2 VAL 74 6.158 2.363 -0.573 586 H ALA 75 H ALA 75 5.453 2.224 -4.455 587 HA ALA 75 HA ALA 75 7.734 1.429 -6.078 588 1HB ALA 75 1HB ALA 75 5.832 2.488 -7.166 589 2HB ALA 75 2HB ALA 75 7.281 3.476 -7.332 590 3HB ALA 75 3HB ALA 75 6.041 3.923 -6.160 591 H ASP 76 H ASP 76 9.682 2.525 -6.159 592 HA ASP 76 HA ASP 76 10.843 3.379 -3.793 593 1HB ASP 76 2HB ASP 76 12.105 2.625 -5.763 594 2HB ASP 76 1HB ASP 76 11.651 4.091 -6.624 595 H LEU 77 H LEU 77 10.535 5.597 -6.530 596 HA LEU 77 HA LEU 77 8.952 7.509 -5.161 597 1HB LEU 77 2HB LEU 77 11.114 7.837 -3.979 598 2HB LEU 77 1HB LEU 77 11.865 8.222 -5.515 599 HG LEU 77 HG LEU 77 10.422 10.193 -5.737 600 1HD1 LEU 77 1HD1 LEU 77 8.496 9.348 -4.471 601 2HD1 LEU 77 2HD1 LEU 77 9.029 10.924 -3.887 602 3HD1 LEU 77 3HD1 LEU 77 9.434 9.465 -2.982 603 1HD2 LEU 77 1HD2 LEU 77 11.440 11.523 -3.963 604 2HD2 LEU 77 2HD2 LEU 77 12.605 10.407 -4.674 605 3HD2 LEU 77 3HD2 LEU 77 11.883 10.047 -3.106 606 H GLU 78 H GLU 78 11.663 7.644 -7.492 607 HA GLU 78 HA GLU 78 10.347 9.219 -9.382 608 1HB GLU 78 2HB GLU 78 12.610 7.242 -9.630 609 2HB GLU 78 1HB GLU 78 12.037 8.192 -10.981 610 1HG GLU 78 2HG GLU 78 13.903 9.335 -10.162 611 2HG GLU 78 1HG GLU 78 12.505 10.241 -9.585 612 H GLN 79 H GLN 79 10.385 5.777 -8.822 613 HA GLN 79 HA GLN 79 9.186 4.879 -11.175 614 1HB GLN 79 2HB GLN 79 8.883 3.772 -8.375 615 2HB GLN 79 1HB GLN 79 8.521 2.907 -9.864 616 1HG GLN 79 2HG GLN 79 10.843 2.961 -10.511 617 2HG GLN 79 1HG GLN 79 11.244 3.950 -9.107 618 1HE2 GLN 79 1HE2 GLN 79 12.280 1.351 -9.894 619 2HE2 GLN 79 2HE2 GLN 79 11.942 0.265 -8.589 620 H SER 80 H SER 80 7.789 6.210 -8.221 621 HA SER 80 HA SER 80 5.094 5.662 -8.719 622 1HB SER 80 2HB SER 80 6.047 8.148 -7.315 623 2HB SER 80 1HB SER 80 4.631 7.154 -6.962 624 HG SER 80 HG SER 80 7.091 6.950 -5.953 625 H GLU 81 H GLU 81 7.199 8.167 -9.924 626 HA GLU 81 HA GLU 81 5.244 9.976 -10.851 627 1HB GLU 81 2HB GLU 81 7.666 10.503 -10.581 628 2HB GLU 81 1HB GLU 81 8.013 9.479 -11.967 629 1HG GLU 81 2HG GLU 81 6.714 10.947 -13.401 630 2HG GLU 81 1HG GLU 81 6.301 11.954 -12.015 631 H ALA 82 H ALA 82 6.863 7.221 -12.350 632 HA ALA 82 HA ALA 82 5.591 7.531 -14.886 633 1HB ALA 82 1HB ALA 82 6.930 5.101 -13.697 634 2HB ALA 82 2HB ALA 82 7.738 6.367 -14.623 635 3HB ALA 82 3HB ALA 82 6.529 5.341 -15.397 636 H ILE 83 H ILE 83 4.914 5.692 -11.957 637 HA ILE 83 HA ILE 83 2.893 4.040 -13.003 638 HB ILE 83 HB ILE 83 3.270 5.016 -10.164 639 1HG1 ILE 83 2HG1 ILE 83 4.064 2.434 -11.528 640 2HG1 ILE 83 1HG1 ILE 83 5.165 3.727 -11.061 641 1HG2 ILE 83 1HG2 ILE 83 0.978 4.270 -10.514 642 2HG2 ILE 83 2HG2 ILE 83 1.859 3.116 -9.513 643 3HG2 ILE 83 3HG2 ILE 83 1.562 2.760 -11.214 644 1HD1 ILE 83 1HD1 ILE 83 5.275 1.916 -9.478 645 2HD1 ILE 83 2HD1 ILE 83 3.534 2.008 -9.208 646 3HD1 ILE 83 3HD1 ILE 83 4.574 3.341 -8.710 647 H GLY 84 H GLY 84 2.756 7.235 -11.467 648 1HA GLY 84 2HA GLY 84 -0.035 7.502 -11.399 649 2HA GLY 84 1HA GLY 84 1.110 8.833 -11.453 650 H ASP 85 H ASP 85 2.262 8.119 -13.990 651 HA ASP 85 HA ASP 85 0.415 9.496 -15.677 652 1HB ASP 85 2HB ASP 85 2.953 9.596 -15.785 653 2HB ASP 85 1HB ASP 85 2.893 8.020 -16.558 654 H ARG 86 H ARG 86 1.342 6.211 -15.175 655 HA ARG 86 HA ARG 86 0.611 4.900 -17.468 656 1HB ARG 86 2HB ARG 86 1.639 3.961 -15.348 657 2HB ARG 86 1HB ARG 86 0.012 3.880 -14.690 658 1HG ARG 86 2HG ARG 86 0.681 1.719 -15.507 659 2HG ARG 86 1HG ARG 86 -0.624 2.350 -16.511 660 1HD ARG 86 2HD ARG 86 0.735 2.650 -18.329 661 2HD ARG 86 1HD ARG 86 2.181 2.892 -17.348 662 HE ARG 86 HE ARG 86 2.456 0.575 -17.192 663 1HH1 ARG 86 1HH1 ARG 86 -0.417 1.391 -19.039 664 2HH1 ARG 86 2HH1 ARG 86 -0.548 -0.186 -19.759 665 1HH2 ARG 86 1HH2 ARG 86 2.264 -1.490 -18.131 666 2HH2 ARG 86 2HH2 ARG 86 0.952 -1.834 -19.216 667 H PHE 87 H PHE 87 -1.517 5.964 -14.843 668 HA PHE 87 HA PHE 87 -3.814 5.335 -16.576 669 1HB PHE 87 2HB PHE 87 -5.051 5.103 -14.285 670 2HB PHE 87 1HB PHE 87 -4.107 3.759 -14.917 671 HD1 PHE 87 1HD PHE 87 -3.888 6.665 -12.609 672 HD2 PHE 87 2HD PHE 87 -2.432 2.805 -13.641 673 HE1 PHE 87 1HE PHE 87 -2.551 6.621 -10.544 674 HE2 PHE 87 2HE PHE 87 -1.092 2.755 -11.581 675 HZ PHE 87 HZ PHE 87 -1.147 4.665 -10.033 676 H ASN 88 H ASN 88 -2.146 7.801 -15.867 677 HA ASN 88 HA ASN 88 -2.455 10.031 -15.784 678 1HB ASN 88 2HB ASN 88 -3.999 9.642 -17.629 679 2HB ASN 88 1HB ASN 88 -5.311 9.343 -16.494 680 1HD2 ASN 88 1HD2 ASN 88 -6.550 11.023 -17.322 681 2HD2 ASN 88 2HD2 ASN 88 -6.148 12.690 -17.053 682 H VAL 89 H VAL 89 -2.021 9.762 -13.479 683 HA VAL 89 HA VAL 89 -4.079 11.243 -12.012 684 HB VAL 89 HB VAL 89 -2.630 8.820 -10.888 685 1HG1 VAL 89 1HG1 VAL 89 -3.813 9.274 -8.796 686 2HG1 VAL 89 2HG1 VAL 89 -4.470 10.757 -9.489 687 3HG1 VAL 89 3HG1 VAL 89 -2.734 10.600 -9.225 688 1HG2 VAL 89 1HG2 VAL 89 -4.580 8.238 -12.237 689 2HG2 VAL 89 2HG2 VAL 89 -5.575 9.339 -11.286 690 3HG2 VAL 89 3HG2 VAL 89 -4.873 7.908 -10.531 691 H ARG 90 H ARG 90 -3.174 12.796 -10.619 692 HA ARG 90 HA ARG 90 -0.497 13.571 -11.146 693 1HB ARG 90 2HB ARG 90 -2.545 14.527 -9.157 694 2HB ARG 90 1HB ARG 90 -0.905 15.155 -9.152 695 1HG ARG 90 2HG ARG 90 -2.116 16.704 -10.395 696 2HG ARG 90 1HG ARG 90 -1.294 15.725 -11.609 697 1HD ARG 90 2HD ARG 90 -3.534 16.039 -12.343 698 2HD ARG 90 1HD ARG 90 -3.387 14.367 -11.805 699 HE ARG 90 HE ARG 90 -4.313 16.075 -9.712 700 1HH1 ARG 90 1HH1 ARG 90 -5.343 14.371 -12.608 701 2HH1 ARG 90 2HH1 ARG 90 -7.009 14.272 -12.097 702 1HH2 ARG 90 1HH2 ARG 90 -6.487 15.928 -9.054 703 2HH2 ARG 90 2HH2 ARG 90 -7.654 15.151 -10.082 704 H ARG 91 H ARG 91 1.193 13.854 -9.498 705 HA ARG 91 HA ARG 91 1.667 11.269 -8.356 706 1HB ARG 91 2HB ARG 91 3.408 13.717 -8.079 707 2HB ARG 91 1HB ARG 91 3.894 12.034 -7.920 708 1HG ARG 91 2HG ARG 91 3.249 11.733 -10.329 709 2HG ARG 91 1HG ARG 91 3.074 13.484 -10.421 710 1HD ARG 91 2HD ARG 91 5.567 11.936 -9.748 711 2HD ARG 91 1HD ARG 91 5.254 12.848 -11.222 712 HE ARG 91 HE ARG 91 5.559 14.086 -8.556 713 1HH1 ARG 91 1HH1 ARG 91 5.907 14.195 -12.041 714 2HH1 ARG 91 2HH1 ARG 91 6.919 15.604 -12.017 715 1HH2 ARG 91 1HH2 ARG 91 6.873 15.938 -8.518 716 2HH2 ARG 91 2HH2 ARG 91 7.463 16.609 -10.009 717 H PHE 92 H PHE 92 0.190 11.021 -6.701 718 HA PHE 92 HA PHE 92 0.830 12.554 -4.267 719 1HB PHE 92 2HB PHE 92 -1.833 11.355 -5.068 720 2HB PHE 92 1HB PHE 92 -1.489 12.056 -3.492 721 HD1 PHE 92 1HD PHE 92 -0.485 14.528 -3.639 722 HD2 PHE 92 2HD PHE 92 -2.921 12.661 -6.590 723 HE1 PHE 92 1HE PHE 92 -1.170 16.740 -4.469 724 HE2 PHE 92 2HE PHE 92 -3.602 14.868 -7.431 725 HZ PHE 92 HZ PHE 92 -2.730 16.911 -6.372 726 HA PRO 93 HA PRO 93 1.870 8.590 -2.530 727 1HB PRO 93 2HB PRO 93 1.642 9.191 0.108 728 2HB PRO 93 1HB PRO 93 3.002 9.731 -0.883 729 1HG PRO 93 2HG PRO 93 0.561 11.229 -0.027 730 2HG PRO 93 1HG PRO 93 2.242 11.786 -0.120 731 1HD PRO 93 2HD PRO 93 0.367 12.362 -2.009 732 2HD PRO 93 1HD PRO 93 2.099 12.226 -2.369 733 H ALA 94 H ALA 94 0.316 7.105 -2.946 734 HA ALA 94 HA ALA 94 -1.807 6.744 -1.017 735 1HB ALA 94 1HB ALA 94 -2.847 8.301 -2.587 736 2HB ALA 94 2HB ALA 94 -3.604 6.711 -2.682 737 3HB ALA 94 3HB ALA 94 -2.462 7.218 -3.927 738 H THR 95 H THR 95 -2.817 4.677 -1.196 739 HA THR 95 HA THR 95 -1.163 2.718 -2.630 740 HB THR 95 HB THR 95 -3.233 2.143 -0.505 741 HG1 THR 95 1HG THR 95 -1.091 3.540 -0.113 742 1HG2 THR 95 1HG2 THR 95 -1.920 0.091 -0.196 743 2HG2 THR 95 2HG2 THR 95 -0.830 0.598 -1.487 744 3HG2 THR 95 3HG2 THR 95 -2.516 0.231 -1.850 745 H LEU 96 H LEU 96 -1.970 1.744 -4.389 746 HA LEU 96 HA LEU 96 -4.745 2.233 -5.131 747 1HB LEU 96 2HB LEU 96 -2.568 0.835 -6.682 748 2HB LEU 96 1HB LEU 96 -4.107 1.385 -7.302 749 HG LEU 96 HG LEU 96 -1.985 3.243 -6.246 750 1HD1 LEU 96 1HD1 LEU 96 -1.154 2.001 -8.176 751 2HD1 LEU 96 2HD1 LEU 96 -1.459 3.689 -8.587 752 3HD1 LEU 96 3HD1 LEU 96 -2.599 2.440 -9.088 753 1HD2 LEU 96 1HD2 LEU 96 -4.461 3.705 -7.907 754 2HD2 LEU 96 2HD2 LEU 96 -3.271 4.933 -7.470 755 3HD2 LEU 96 3HD2 LEU 96 -4.242 4.158 -6.217 756 H VAL 97 H VAL 97 -6.298 0.726 -5.069 757 HA VAL 97 HA VAL 97 -5.609 -1.949 -4.110 758 HB VAL 97 HB VAL 97 -8.294 -0.590 -4.413 759 1HG1 VAL 97 1HG1 VAL 97 -9.142 -2.492 -3.056 760 2HG1 VAL 97 2HG1 VAL 97 -7.575 -3.278 -3.255 761 3HG1 VAL 97 3HG1 VAL 97 -8.587 -2.963 -4.662 762 1HG2 VAL 97 1HG2 VAL 97 -6.954 0.406 -2.656 763 2HG2 VAL 97 2HG2 VAL 97 -6.619 -1.187 -1.976 764 3HG2 VAL 97 3HG2 VAL 97 -8.260 -0.545 -1.948 765 H PHE 98 H PHE 98 -5.341 -3.535 -5.532 766 HA PHE 98 HA PHE 98 -6.798 -3.399 -8.087 767 1HB PHE 98 2HB PHE 98 -4.121 -4.657 -7.445 768 2HB PHE 98 1HB PHE 98 -4.966 -4.876 -8.971 769 HD1 PHE 98 1HD PHE 98 -3.288 -2.415 -6.807 770 HD2 PHE 98 2HD PHE 98 -4.881 -3.239 -10.661 771 HE1 PHE 98 1HE PHE 98 -2.199 -0.393 -7.685 772 HE2 PHE 98 2HE PHE 98 -3.797 -1.213 -11.544 773 HZ PHE 98 HZ PHE 98 -2.462 0.216 -10.058 774 H THR 99 H THR 99 -8.337 -4.865 -8.294 775 HA THR 99 HA THR 99 -7.808 -7.598 -7.374 776 HB THR 99 HB THR 99 -10.014 -7.950 -6.545 777 HG1 THR 99 1HG THR 99 -11.396 -6.864 -7.786 778 1HG2 THR 99 1HG2 THR 99 -10.240 -6.326 -4.708 779 2HG2 THR 99 2HG2 THR 99 -9.080 -5.269 -5.511 780 3HG2 THR 99 3HG2 THR 99 -8.565 -6.847 -4.918 781 H ASP 100 H ASP 100 -8.931 -9.193 -8.681 782 HA ASP 100 HA ASP 100 -9.840 -10.069 -10.582 783 1HB ASP 100 2HB ASP 100 -10.950 -7.277 -10.959 784 2HB ASP 100 1HB ASP 100 -11.399 -8.672 -11.920 785 H GLY 101 H GLY 101 -7.295 -8.287 -10.461 786 1HA GLY 101 2HA GLY 101 -5.592 -7.830 -11.961 787 2HA GLY 101 1HA GLY 101 -6.595 -8.497 -13.242 788 H LYS 102 H LYS 102 -8.162 -6.154 -11.358 789 HA LYS 102 HA LYS 102 -7.504 -4.029 -13.292 790 1HB LYS 102 2HB LYS 102 -10.237 -4.745 -12.205 791 2HB LYS 102 1HB LYS 102 -9.888 -3.353 -13.222 792 1HG LYS 102 2HG LYS 102 -9.324 -4.740 -15.068 793 2HG LYS 102 1HG LYS 102 -9.351 -6.187 -14.062 794 1HD LYS 102 2HD LYS 102 -11.769 -5.846 -13.697 795 2HD LYS 102 1HD LYS 102 -11.712 -4.457 -14.787 796 1HE LYS 102 2HE LYS 102 -12.508 -6.461 -15.941 797 2HE LYS 102 1HE LYS 102 -10.977 -5.897 -16.610 798 1HZ LYS 102 1HZ LYS 102 -9.819 -7.611 -15.397 799 2HZ LYS 102 2HZ LYS 102 -11.057 -8.326 -16.312 800 3HZ LYS 102 3HZ LYS 102 -11.253 -8.111 -14.641 801 H LEU 103 H LEU 103 -8.116 -1.837 -12.475 802 HA LEU 103 HA LEU 103 -7.250 -1.594 -9.704 803 1HB LEU 103 2HB LEU 103 -6.115 -0.241 -11.383 804 2HB LEU 103 1HB LEU 103 -7.641 0.465 -11.877 805 HG LEU 103 HG LEU 103 -7.847 1.557 -9.686 806 1HD1 LEU 103 1HD1 LEU 103 -6.610 -0.063 -8.348 807 2HD1 LEU 103 2HD1 LEU 103 -5.974 1.568 -8.131 808 3HD1 LEU 103 3HD1 LEU 103 -5.111 0.416 -9.151 809 1HD2 LEU 103 1HD2 LEU 103 -6.072 3.201 -9.994 810 2HD2 LEU 103 2HD2 LEU 103 -6.787 2.739 -11.540 811 3HD2 LEU 103 3HD2 LEU 103 -5.220 2.087 -11.064 812 H ARG 104 H ARG 104 -8.606 -1.203 -8.084 813 HA ARG 104 HA ARG 104 -11.399 -0.626 -8.690 814 1HB ARG 104 2HB ARG 104 -10.005 -1.406 -6.127 815 2HB ARG 104 1HB ARG 104 -11.724 -1.060 -6.238 816 1HG ARG 104 2HG ARG 104 -10.301 -3.241 -7.750 817 2HG ARG 104 1HG ARG 104 -11.224 -3.466 -6.261 818 1HD ARG 104 2HD ARG 104 -13.227 -2.588 -7.419 819 2HD ARG 104 1HD ARG 104 -12.287 -2.472 -8.908 820 HE ARG 104 HE ARG 104 -11.987 -5.065 -8.145 821 1HH1 ARG 104 1HH1 ARG 104 -14.783 -3.023 -8.688 822 2HH1 ARG 104 2HH1 ARG 104 -15.794 -4.328 -9.214 823 1HH2 ARG 104 1HH2 ARG 104 -13.316 -6.788 -8.846 824 2HH2 ARG 104 2HH2 ARG 104 -14.966 -6.462 -9.302 825 H GLY 105 H GLY 105 -8.673 0.767 -6.912 826 1HA GLY 105 2HA GLY 105 -9.352 3.414 -7.323 827 2HA GLY 105 1HA GLY 105 -10.187 2.948 -5.850 828 H ALA 106 H ALA 106 -8.704 4.799 -5.157 829 HA ALA 106 HA ALA 106 -6.163 3.634 -4.231 830 1HB ALA 106 1HB ALA 106 -5.703 5.201 -6.039 831 2HB ALA 106 2HB ALA 106 -5.095 5.816 -4.503 832 3HB ALA 106 3HB ALA 106 -6.588 6.462 -5.183 833 H LEU 107 H LEU 107 -5.666 3.936 -2.139 834 HA LEU 107 HA LEU 107 -7.276 5.848 -0.570 835 1HB LEU 107 2HB LEU 107 -6.334 3.079 0.151 836 2HB LEU 107 1HB LEU 107 -6.720 4.257 1.385 837 HG LEU 107 HG LEU 107 -8.591 2.835 1.146 838 1HD1 LEU 107 1HD1 LEU 107 -9.186 5.385 -0.333 839 2HD1 LEU 107 2HD1 LEU 107 -9.105 5.202 1.418 840 3HD1 LEU 107 3HD1 LEU 107 -10.357 4.364 0.504 841 1HD2 LEU 107 1HD2 LEU 107 -8.526 3.405 -1.809 842 2HD2 LEU 107 2HD2 LEU 107 -9.758 2.467 -0.968 843 3HD2 LEU 107 3HD2 LEU 107 -8.095 1.881 -1.029 844 H SER 108 H SER 108 -6.079 7.399 0.374 845 HA SER 108 HA SER 108 -3.238 7.354 0.030 846 1HB SER 108 2HB SER 108 -3.422 9.614 1.226 847 2HB SER 108 1HB SER 108 -4.248 9.457 -0.325 848 HG SER 108 HG SER 108 -5.571 10.433 1.275 849 H GLY 109 H GLY 109 -4.913 8.323 2.996 850 1HA GLY 109 2HA GLY 109 -3.496 6.313 4.546 851 2HA GLY 109 1HA GLY 109 -2.994 7.977 4.826 852 H ILE 110 H ILE 110 -5.841 5.883 4.782 853 HA ILE 110 HA ILE 110 -7.526 7.712 6.139 854 HB ILE 110 HB ILE 110 -8.400 5.903 4.721 855 1HG1 ILE 110 2HG1 ILE 110 -10.191 5.092 6.284 856 2HG1 ILE 110 1HG1 ILE 110 -9.289 5.821 7.607 857 1HG2 ILE 110 1HG2 ILE 110 -8.465 3.597 5.551 858 2HG2 ILE 110 2HG2 ILE 110 -7.440 4.071 6.905 859 3HG2 ILE 110 3HG2 ILE 110 -6.818 4.158 5.257 860 1HD1 ILE 110 1HD1 ILE 110 -11.105 7.257 6.876 861 2HD1 ILE 110 2HD1 ILE 110 -10.431 7.293 5.246 862 3HD1 ILE 110 3HD1 ILE 110 -9.539 8.013 6.585 863 H HIS 111 H HIS 111 -8.035 7.909 8.283 864 HA HIS 111 HA HIS 111 -6.373 6.367 10.151 865 1HB HIS 111 2HB HIS 111 -7.451 9.174 10.375 866 2HB HIS 111 1HB HIS 111 -6.808 8.294 11.759 867 HD1 HIS 111 1HD HIS 111 -5.775 10.727 9.450 868 HD2 HIS 111 2HD HIS 111 -4.013 7.275 10.963 869 HE1 HIS 111 1HE HIS 111 -3.307 10.993 9.052 870 HE2 HIS 111 2HE HIS 111 -2.246 8.983 10.143 871 HA PRO 112 HA PRO 112 -10.833 6.495 12.155 872 1HB PRO 112 2HB PRO 112 -12.459 7.101 9.750 873 2HB PRO 112 1HB PRO 112 -12.658 7.659 11.415 874 1HG PRO 112 2HG PRO 112 -11.758 9.305 9.525 875 2HG PRO 112 1HG PRO 112 -11.097 9.357 11.170 876 1HD PRO 112 2HD PRO 112 -9.942 8.115 8.701 877 2HD PRO 112 1HD PRO 112 -9.134 9.061 9.970 878 H TRP 113 H TRP 113 -12.196 4.696 12.189 879 HA TRP 113 HA TRP 113 -11.835 2.816 9.949 880 1HB TRP 113 2HB TRP 113 -10.632 2.448 12.308 881 2HB TRP 113 1HB TRP 113 -12.206 1.778 12.725 882 HD1 TRP 113 HD TRP 113 -12.769 -0.621 11.835 883 HE1 TRP 113 1HE TRP 113 -11.446 -2.383 10.505 884 HE3 TRP 113 3HE TRP 113 -8.805 2.266 10.388 885 HZ2 TRP 113 2HZ TRP 113 -9.040 -2.529 9.038 886 HZ3 TRP 113 3HZ TRP 113 -7.033 1.240 9.024 887 HH2 TRP 113 HH TRP 113 -7.150 -1.112 8.365 888 H ALA 114 H ALA 114 -13.556 0.838 10.804 889 HA ALA 114 HA ALA 114 -15.718 0.192 10.858 890 1HB ALA 114 1HB ALA 114 -15.900 1.549 12.896 891 2HB ALA 114 2HB ALA 114 -17.400 1.521 11.970 892 3HB ALA 114 3HB ALA 114 -16.355 2.941 11.912 893 H GLU 115 H GLU 115 -15.589 3.584 9.735 894 HA GLU 115 HA GLU 115 -17.656 3.341 7.838 895 1HB GLU 115 2HB GLU 115 -16.743 5.398 6.842 896 2HB GLU 115 1HB GLU 115 -16.878 5.519 8.589 897 1HG GLU 115 2HG GLU 115 -14.485 5.129 8.815 898 2HG GLU 115 1HG GLU 115 -14.340 4.956 7.065 899 H LEU 116 H LEU 116 -14.343 2.401 7.776 900 HA LEU 116 HA LEU 116 -13.830 2.233 5.064 901 1HB LEU 116 2HB LEU 116 -12.715 1.130 7.493 902 2HB LEU 116 1HB LEU 116 -12.627 -0.024 6.175 903 HG LEU 116 HG LEU 116 -11.557 2.799 6.057 904 1HD1 LEU 116 1HD1 LEU 116 -9.352 1.756 6.180 905 2HD1 LEU 116 2HD1 LEU 116 -10.109 0.181 6.417 906 3HD1 LEU 116 3HD1 LEU 116 -10.297 1.443 7.633 907 1HD2 LEU 116 1HD2 LEU 116 -10.470 2.030 4.000 908 2HD2 LEU 116 2HD2 LEU 116 -12.225 1.926 3.881 909 3HD2 LEU 116 3HD2 LEU 116 -11.272 0.467 4.159 910 H LEU 117 H LEU 117 -15.774 0.137 7.090 911 HA LEU 117 HA LEU 117 -15.925 -2.080 5.375 912 1HB LEU 117 2HB LEU 117 -17.747 -0.994 7.495 913 2HB LEU 117 1HB LEU 117 -18.253 -2.350 6.509 914 HG LEU 117 HG LEU 117 -17.363 -3.146 8.615 915 1HD1 LEU 117 1HD1 LEU 117 -16.996 -4.530 6.651 916 2HD1 LEU 117 2HD1 LEU 117 -15.661 -4.686 7.792 917 3HD1 LEU 117 3HD1 LEU 117 -15.470 -3.703 6.341 918 1HD2 LEU 117 1HD2 LEU 117 -15.019 -2.814 9.233 919 2HD2 LEU 117 2HD2 LEU 117 -15.894 -1.283 9.166 920 3HD2 LEU 117 3HD2 LEU 117 -14.808 -1.738 7.851 921 H THR 118 H THR 118 -17.794 0.911 5.488 922 HA THR 118 HA THR 118 -19.660 0.205 3.481 923 HB THR 118 HB THR 118 -18.752 2.980 4.269 924 HG1 THR 118 1HG THR 118 -21.043 2.460 5.402 925 1HG2 THR 118 1HG2 THR 118 -20.969 3.667 3.471 926 2HG2 THR 118 2HG2 THR 118 -21.309 2.005 2.986 927 3HG2 THR 118 3HG2 THR 118 -20.027 2.914 2.184 928 H LEU 119 H LEU 119 -16.589 1.955 3.429 929 HA LEU 119 HA LEU 119 -16.659 2.606 0.667 930 1HB LEU 119 2HB LEU 119 -14.302 2.380 2.541 931 2HB LEU 119 1HB LEU 119 -14.274 3.143 0.964 932 HG LEU 119 HG LEU 119 -15.889 4.085 3.336 933 1HD1 LEU 119 1HD1 LEU 119 -14.333 5.974 3.359 934 2HD1 LEU 119 2HD1 LEU 119 -13.402 5.220 2.064 935 3HD1 LEU 119 3HD1 LEU 119 -13.503 4.444 3.645 936 1HD2 LEU 119 1HD2 LEU 119 -16.363 6.050 1.960 937 2HD2 LEU 119 2HD2 LEU 119 -16.990 4.579 1.216 938 3HD2 LEU 119 3HD2 LEU 119 -15.507 5.310 0.606 939 H MET 120 H MET 120 -15.129 0.023 2.524 940 HA MET 120 HA MET 120 -13.729 -1.216 0.431 941 1HB MET 120 2HB MET 120 -13.350 -1.684 2.828 942 2HB MET 120 1HB MET 120 -14.916 -2.478 2.911 943 1HG MET 120 2HG MET 120 -14.070 -4.073 1.156 944 2HG MET 120 1HG MET 120 -12.473 -3.371 1.407 945 1HE MET 120 1HE MET 120 -15.349 -4.091 4.018 946 2HE MET 120 2HE MET 120 -14.874 -5.692 4.586 947 3HE MET 120 3HE MET 120 -15.385 -5.465 2.914 948 H ARG 121 H ARG 121 -17.061 -1.463 1.480 949 HA ARG 121 HA ARG 121 -17.763 -3.847 0.204 950 1HB ARG 121 2HB ARG 121 -19.145 -2.554 1.879 951 2HB ARG 121 1HB ARG 121 -19.593 -1.475 0.563 952 1HG ARG 121 2HG ARG 121 -21.338 -3.080 0.865 953 2HG ARG 121 1HG ARG 121 -20.513 -3.429 -0.657 954 1HD ARG 121 2HD ARG 121 -19.188 -5.163 0.498 955 2HD ARG 121 1HD ARG 121 -20.089 -4.842 1.978 956 HE ARG 121 HE ARG 121 -21.370 -5.824 -0.504 957 1HH1 ARG 121 1HH1 ARG 121 -20.921 -5.938 2.978 958 2HH1 ARG 121 2HH1 ARG 121 -22.105 -7.180 3.225 959 1HH2 ARG 121 1HH2 ARG 121 -22.920 -7.460 -0.184 960 2HH2 ARG 121 2HH2 ARG 121 -23.256 -8.039 1.425 961 H SER 122 H SER 122 -17.853 -0.498 -1.008 962 HA SER 122 HA SER 122 -18.901 -1.151 -3.527 963 1HB SER 122 2HB SER 122 -17.232 1.203 -2.632 964 2HB SER 122 1HB SER 122 -18.212 1.119 -4.081 965 HG SER 122 HG SER 122 -19.882 0.467 -2.268 966 H ILE 123 H ILE 123 -15.685 -1.157 -2.186 967 HA ILE 123 HA ILE 123 -14.299 -1.235 -4.690 968 HB ILE 123 HB ILE 123 -13.384 -1.947 -1.898 969 1HG1 ILE 123 2HG1 ILE 123 -12.931 0.521 -3.588 970 2HG1 ILE 123 1HG1 ILE 123 -14.018 0.415 -2.212 971 1HG2 ILE 123 1HG2 ILE 123 -11.105 -1.797 -2.770 972 2HG2 ILE 123 2HG2 ILE 123 -11.743 -1.574 -4.399 973 3HG2 ILE 123 3HG2 ILE 123 -12.014 -3.095 -3.547 974 1HD1 ILE 123 1HD1 ILE 123 -12.123 0.001 -0.736 975 2HD1 ILE 123 2HD1 ILE 123 -11.951 1.525 -1.610 976 3HD1 ILE 123 3HD1 ILE 123 -11.030 0.108 -2.115 977 H VAL 124 H VAL 124 -15.091 -3.682 -2.217 978 HA VAL 124 HA VAL 124 -14.862 -5.733 -4.303 979 HB VAL 124 HB VAL 124 -13.945 -7.303 -2.501 980 1HG1 VAL 124 1HG1 VAL 124 -11.638 -6.611 -2.918 981 2HG1 VAL 124 2HG1 VAL 124 -12.210 -5.044 -3.490 982 3HG1 VAL 124 3HG1 VAL 124 -12.616 -6.511 -4.382 983 1HG2 VAL 124 1HG2 VAL 124 -12.663 -6.263 -0.702 984 2HG2 VAL 124 2HG2 VAL 124 -14.371 -5.849 -0.571 985 3HG2 VAL 124 3HG2 VAL 124 -13.226 -4.668 -1.206 986 H ASP 125 H ASP 125 -17.181 -5.313 -4.274 987 HA ASP 125 HA ASP 125 -18.696 -6.224 -2.005 988 1HB ASP 125 2HB ASP 125 -19.575 -4.435 -3.421 989 2HB ASP 125 1HB ASP 125 -19.571 -5.510 -4.815 990 H THR 126 H THR 126 -17.791 -7.440 -5.162 991 HA THR 126 HA THR 126 -17.916 -9.449 -6.194 992 HB THR 126 HB THR 126 -17.469 -11.447 -4.889 993 HG1 THR 126 1HG THR 126 -18.480 -9.896 -2.781 994 1HG2 THR 126 1HG2 THR 126 -15.616 -9.895 -5.247 995 2HG2 THR 126 2HG2 THR 126 -15.449 -10.748 -3.713 996 3HG2 THR 126 3HG2 THR 126 -16.009 -9.076 -3.735 997 HA PRO 127 HA PRO 127 -22.117 -11.163 -6.167 998 1HB PRO 127 2HB PRO 127 -21.180 -13.932 -5.760 999 2HB PRO 127 1HB PRO 127 -22.101 -13.249 -7.103 1000 1HG PRO 127 2HG PRO 127 -19.530 -13.957 -7.375 1001 2HG PRO 127 1HG PRO 127 -20.206 -12.551 -8.219 1002 1HD PRO 127 2HD PRO 127 -18.504 -12.646 -5.756 1003 2HD PRO 127 1HD PRO 127 -18.445 -11.513 -7.122 1004 H ALA 128 H ALA 128 -22.195 -10.108 -4.007 1005 HA ALA 128 HA ALA 128 -22.986 -10.052 -1.892 1006 1HB ALA 128 1HB ALA 128 -24.082 -12.002 -0.931 1007 2HB ALA 128 2HB ALA 128 -23.403 -13.024 -2.199 1008 3HB ALA 128 3HB ALA 128 -24.572 -11.766 -2.607 1009 H ALA 129 H ALA 129 -21.340 -9.455 -0.655 1010 HA ALA 129 HA ALA 129 -19.026 -11.023 -0.169 1011 1HB ALA 129 1HB ALA 129 -18.418 -9.266 1.419 1012 2HB ALA 129 2HB ALA 129 -20.045 -8.597 1.304 1013 3HB ALA 129 3HB ALA 129 -18.984 -8.585 -0.105 1014 H GLN 130 H GLN 130 -18.276 -11.793 1.908 1015 HA GLN 130 HA GLN 130 -20.355 -13.365 3.172 1016 1HB GLN 130 2HB GLN 130 -17.352 -13.361 3.511 1017 2HB GLN 130 1HB GLN 130 -18.443 -14.490 4.300 1018 1HG GLN 130 2HG GLN 130 -19.101 -15.408 2.172 1019 2HG GLN 130 1HG GLN 130 -18.131 -14.206 1.322 1020 1HE2 GLN 130 1HE2 GLN 130 -17.999 -17.144 1.312 1021 2HE2 GLN 130 2HE2 GLN 130 -16.377 -17.540 1.777 1022 H GLU 131 H GLU 131 -20.042 -10.414 3.757 1023 HA GLU 131 HA GLU 131 -20.018 -10.671 6.667 1024 1HB GLU 131 2HB GLU 131 -17.750 -9.936 6.032 1025 2HB GLU 131 1HB GLU 131 -18.437 -8.566 5.175 1026 1HG GLU 131 2HG GLU 131 -17.538 -7.938 7.358 1027 2HG GLU 131 1HG GLU 131 -19.270 -7.635 7.240 1028 H THR 132 H THR 132 -21.249 -9.127 7.760 1029 HA THR 132 HA THR 132 -23.044 -7.525 6.047 1030 HB THR 132 HB THR 132 -23.786 -8.821 8.679 1031 HG1 THR 132 1HG THR 132 -23.357 -10.133 6.560 1032 1HG2 THR 132 1HG2 THR 132 -25.470 -7.556 6.514 1033 2HG2 THR 132 2HG2 THR 132 -25.109 -6.843 8.089 1034 3HG2 THR 132 3HG2 THR 132 -26.076 -8.314 7.985 1035 H VAL 133 H VAL 133 -23.096 -5.405 6.502 1036 HA VAL 133 HA VAL 133 -21.425 -4.387 8.605 1037 HB VAL 133 HB VAL 133 -22.288 -2.126 7.817 1038 1HG1 VAL 133 1HG1 VAL 133 -20.957 -2.188 5.765 1039 2HG1 VAL 133 2HG1 VAL 133 -20.998 -3.951 5.795 1040 3HG1 VAL 133 3HG1 VAL 133 -20.170 -3.066 7.076 1041 1HG2 VAL 133 1HG2 VAL 133 -24.412 -2.886 6.851 1042 2HG2 VAL 133 2HG2 VAL 133 -23.528 -3.817 5.640 1043 3HG2 VAL 133 3HG2 VAL 133 -23.419 -2.056 5.651 1044 H GLN 134 H GLN 134 -22.136 -4.649 10.613 1045 HA GLN 134 HA GLN 134 -24.907 -4.600 11.313 1046 1HB GLN 134 2HB GLN 134 -22.493 -4.530 13.137 1047 2HB GLN 134 1HB GLN 134 -24.139 -4.943 13.597 1048 1HG GLN 134 2HG GLN 134 -22.429 -6.503 11.672 1049 2HG GLN 134 1HG GLN 134 -22.695 -6.908 13.366 1050 1HE2 GLN 134 1HE2 GLN 134 -24.655 -7.732 14.009 1051 2HE2 GLN 134 2HE2 GLN 134 -25.823 -8.342 12.881 Start of MODEL 12 1 1H MET 1 1HT MET 1 17.235 17.782 -9.901 2 2H MET 1 2HT MET 1 17.904 18.974 -8.899 3 3H MET 1 3HT MET 1 17.154 19.417 -10.353 4 HA MET 1 HA MET 1 15.750 19.898 -8.455 5 1HB MET 1 2HB MET 1 14.804 17.674 -10.266 6 2HB MET 1 1HB MET 1 13.740 18.585 -9.208 7 1HG MET 1 2HG MET 1 14.331 20.639 -10.403 8 2HG MET 1 1HG MET 1 15.374 19.701 -11.473 9 1HE MET 1 1HE MET 1 14.079 20.786 -13.530 10 2HE MET 1 2HE MET 1 12.980 21.650 -12.451 11 3HE MET 1 3HE MET 1 12.335 20.667 -13.767 12 H ALA 2 H ALA 2 16.093 16.365 -8.883 13 HA ALA 2 HA ALA 2 14.888 15.905 -6.294 14 1HB ALA 2 1HB ALA 2 14.381 14.437 -8.177 15 2HB ALA 2 2HB ALA 2 15.113 13.540 -6.844 16 3HB ALA 2 3HB ALA 2 16.078 13.958 -8.261 17 H ASN 3 H ASN 3 18.091 15.950 -7.664 18 HA ASN 3 HA ASN 3 20.177 15.732 -6.791 19 1HB ASN 3 2HB ASN 3 19.025 17.013 -4.812 20 2HB ASN 3 1HB ASN 3 19.077 15.456 -4.001 21 1HD2 ASN 3 1HD2 ASN 3 20.363 17.814 -3.148 22 2HD2 ASN 3 2HD2 ASN 3 22.075 17.531 -3.170 23 H ASP 4 H ASP 4 21.566 14.097 -5.608 24 HA ASP 4 HA ASP 4 20.428 11.447 -6.053 25 1HB ASP 4 2HB ASP 4 22.670 12.015 -6.990 26 2HB ASP 4 1HB ASP 4 23.276 12.198 -5.346 27 H THR 5 H THR 5 19.409 10.535 -4.394 28 HA THR 5 HA THR 5 20.513 10.880 -1.704 29 HB THR 5 HB THR 5 18.797 12.544 -1.798 30 HG1 THR 5 1HG THR 5 17.643 10.264 -0.528 31 1HG2 THR 5 1HG2 THR 5 17.563 11.744 -3.746 32 2HG2 THR 5 2HG2 THR 5 16.469 12.031 -2.393 33 3HG2 THR 5 3HG2 THR 5 16.942 10.385 -2.808 34 HA PRO 6 HA PRO 6 19.535 6.526 -1.350 35 1HB PRO 6 2HB PRO 6 19.716 6.889 1.544 36 2HB PRO 6 1HB PRO 6 20.775 5.971 0.471 37 1HG PRO 6 2HG PRO 6 21.562 8.260 1.684 38 2HG PRO 6 1HG PRO 6 22.168 7.758 0.096 39 1HD PRO 6 2HD PRO 6 20.053 9.773 0.767 40 2HD PRO 6 1HD PRO 6 21.346 9.856 -0.452 41 H PHE 7 H PHE 7 18.059 5.207 0.249 42 HA PHE 7 HA PHE 7 15.459 6.497 0.056 43 1HB PHE 7 2HB PHE 7 16.252 3.642 0.660 44 2HB PHE 7 1HB PHE 7 14.586 4.208 0.608 45 HD1 PHE 7 1HD PHE 7 17.451 3.160 -1.319 46 HD2 PHE 7 2HD PHE 7 13.635 5.030 -1.526 47 HE1 PHE 7 1HE PHE 7 17.398 2.769 -3.746 48 HE2 PHE 7 2HE PHE 7 13.572 4.642 -3.954 49 HZ PHE 7 HZ PHE 7 15.456 3.509 -5.066 50 H SER 8 H SER 8 13.880 5.742 1.873 51 HA SER 8 HA SER 8 14.730 7.038 4.253 52 1HB SER 8 2HB SER 8 12.216 5.450 3.683 53 2HB SER 8 1HB SER 8 12.459 6.540 5.049 54 HG SER 8 HG SER 8 11.861 8.084 3.788 55 H ALA 9 H ALA 9 14.440 6.061 6.429 56 HA ALA 9 HA ALA 9 16.086 3.752 6.661 57 1HB ALA 9 1HB ALA 9 16.114 5.586 8.299 58 2HB ALA 9 2HB ALA 9 15.802 4.023 9.057 59 3HB ALA 9 3HB ALA 9 14.476 5.156 8.791 60 H LEU 10 H LEU 10 12.651 4.398 7.307 61 HA LEU 10 HA LEU 10 12.039 1.728 8.073 62 1HB LEU 10 2HB LEU 10 10.409 4.108 7.282 63 2HB LEU 10 1HB LEU 10 9.641 2.539 7.407 64 HG LEU 10 HG LEU 10 9.302 3.778 9.449 65 1HD1 LEU 10 1HD1 LEU 10 9.553 1.373 9.634 66 2HD1 LEU 10 2HD1 LEU 10 10.195 2.182 11.064 67 3HD1 LEU 10 3HD1 LEU 10 11.295 1.554 9.837 68 1HD2 LEU 10 1HD2 LEU 10 11.168 4.425 10.901 69 2HD2 LEU 10 2HD2 LEU 10 11.205 5.283 9.361 70 3HD2 LEU 10 3HD2 LEU 10 12.310 3.936 9.647 71 H TRP 11 H TRP 11 12.243 3.396 5.039 72 HA TRP 11 HA TRP 11 10.914 1.619 3.339 73 1HB TRP 11 2HB TRP 11 12.236 3.929 2.967 74 2HB TRP 11 1HB TRP 11 13.478 2.814 2.417 75 HD1 TRP 11 HD TRP 11 10.447 4.596 1.239 76 HE1 TRP 11 1HE TRP 11 9.783 3.780 -1.112 77 HE3 TRP 11 3HE TRP 11 13.385 0.427 0.960 78 HZ2 TRP 11 2HZ TRP 11 10.417 1.659 -2.849 79 HZ3 TRP 11 3HZ TRP 11 13.288 -0.939 -1.068 80 HH2 TRP 11 HH TRP 11 11.836 -0.340 -2.939 81 H GLN 12 H GLN 12 14.254 1.615 4.532 82 HA GLN 12 HA GLN 12 15.029 -0.779 3.223 83 1HB GLN 12 2HB GLN 12 16.197 0.501 5.701 84 2HB GLN 12 1HB GLN 12 16.984 -0.670 4.663 85 1HG GLN 12 2HG GLN 12 16.974 0.924 2.822 86 2HG GLN 12 1HG GLN 12 16.163 2.103 3.850 87 1HE2 GLN 12 1HE2 GLN 12 18.706 2.334 2.504 88 2HE2 GLN 12 2HE2 GLN 12 19.894 2.598 3.727 89 H ARG 13 H ARG 13 13.650 -0.008 6.353 90 HA ARG 13 HA ARG 13 13.898 -2.536 7.564 91 1HB ARG 13 2HB ARG 13 11.834 -0.364 7.974 92 2HB ARG 13 1HB ARG 13 12.005 -1.771 9.010 93 1HG ARG 13 2HG ARG 13 14.356 0.010 8.560 94 2HG ARG 13 1HG ARG 13 13.081 0.507 9.671 95 1HD ARG 13 2HD ARG 13 14.789 -0.600 10.925 96 2HD ARG 13 1HD ARG 13 13.367 -1.636 10.882 97 HE ARG 13 HE ARG 13 15.271 -2.253 8.817 98 1HH1 ARG 13 1HH1 ARG 13 14.399 -2.787 12.171 99 2HH1 ARG 13 2HH1 ARG 13 15.319 -4.257 12.312 100 1HH2 ARG 13 1HH2 ARG 13 16.448 -4.189 8.978 101 2HH2 ARG 13 2HH2 ARG 13 16.467 -5.080 10.477 102 H LEU 14 H LEU 14 11.463 -1.161 5.425 103 HA LEU 14 HA LEU 14 9.531 -3.179 5.589 104 1HB LEU 14 2HB LEU 14 10.281 -1.478 3.206 105 2HB LEU 14 1HB LEU 14 8.805 -2.410 3.357 106 HG LEU 14 HG LEU 14 9.579 -0.069 5.105 107 1HD1 LEU 14 1HD1 LEU 14 7.795 1.112 3.946 108 2HD1 LEU 14 2HD1 LEU 14 7.501 -0.300 2.933 109 3HD1 LEU 14 3HD1 LEU 14 9.026 0.574 2.805 110 1HD2 LEU 14 1HD2 LEU 14 7.289 -0.256 5.960 111 2HD2 LEU 14 2HD2 LEU 14 8.232 -1.706 6.304 112 3HD2 LEU 14 3HD2 LEU 14 7.052 -1.714 4.993 113 H LEU 15 H LEU 15 12.386 -2.868 3.531 114 HA LEU 15 HA LEU 15 11.961 -5.082 1.880 115 1HB LEU 15 2HB LEU 15 14.551 -3.838 2.809 116 2HB LEU 15 1HB LEU 15 14.415 -4.995 1.502 117 HG LEU 15 HG LEU 15 13.129 -2.264 1.527 118 1HD1 LEU 15 1HD1 LEU 15 15.543 -2.086 1.390 119 2HD1 LEU 15 2HD1 LEU 15 14.819 -1.715 -0.177 120 3HD1 LEU 15 3HD1 LEU 15 15.581 -3.283 0.097 121 1HD2 LEU 15 1HD2 LEU 15 13.357 -4.339 -0.652 122 2HD2 LEU 15 2HD2 LEU 15 12.680 -2.724 -0.838 123 3HD2 LEU 15 3HD2 LEU 15 11.882 -3.899 0.210 124 H THR 16 H THR 16 13.374 -4.819 5.073 125 HA THR 16 HA THR 16 14.438 -7.428 5.240 126 HB THR 16 HB THR 16 13.443 -5.696 7.511 127 HG1 THR 16 1HG THR 16 15.865 -5.703 6.016 128 1HG2 THR 16 1HG2 THR 16 15.546 -7.865 7.410 129 2HG2 THR 16 2HG2 THR 16 13.964 -7.988 8.180 130 3HG2 THR 16 3HG2 THR 16 15.169 -6.868 8.815 131 H ARG 17 H ARG 17 11.222 -6.174 5.542 132 HA ARG 17 HA ARG 17 10.280 -8.768 6.567 133 1HB ARG 17 2HB ARG 17 9.732 -6.689 7.882 134 2HB ARG 17 1HB ARG 17 8.765 -6.153 6.516 135 1HG ARG 17 2HG ARG 17 7.291 -8.056 6.767 136 2HG ARG 17 1HG ARG 17 8.295 -8.690 8.072 137 1HD ARG 17 2HD ARG 17 6.309 -7.547 8.929 138 2HD ARG 17 1HD ARG 17 7.794 -6.741 9.430 139 HE ARG 17 HE ARG 17 6.668 -5.640 7.037 140 1HH1 ARG 17 1HH1 ARG 17 6.615 -5.567 10.533 141 2HH1 ARG 17 2HH1 ARG 17 5.881 -3.986 10.617 142 1HH2 ARG 17 1HH2 ARG 17 5.741 -3.536 7.147 143 2HH2 ARG 17 2HH2 ARG 17 5.407 -2.824 8.694 144 H GLY 18 H GLY 18 11.013 -7.896 3.765 145 1HA GLY 18 2HA GLY 18 10.120 -9.120 1.887 146 2HA GLY 18 1HA GLY 18 8.510 -8.840 2.535 147 H TRP 19 H TRP 19 7.427 -7.562 1.235 148 HA TRP 19 HA TRP 19 6.788 -5.789 -0.017 149 1HB TRP 19 2HB TRP 19 9.197 -4.554 1.292 150 2HB TRP 19 1HB TRP 19 8.234 -3.674 0.111 151 HD1 TRP 19 HD TRP 19 7.591 -5.570 3.451 152 HE1 TRP 19 1HE TRP 19 5.770 -4.282 4.732 153 HE3 TRP 19 3HE TRP 19 6.608 -1.910 0.021 154 HZ2 TRP 19 2HZ TRP 19 4.135 -2.006 4.344 155 HZ3 TRP 19 3HZ TRP 19 4.905 -0.218 0.550 156 HH2 TRP 19 HH TRP 19 3.694 -0.267 2.666 157 H GLN 20 H GLN 20 6.851 -5.536 -2.137 158 HA GLN 20 HA GLN 20 9.403 -6.056 -3.505 159 1HB GLN 20 2HB GLN 20 7.779 -7.745 -4.065 160 2HB GLN 20 1HB GLN 20 6.564 -6.527 -4.432 161 1HG GLN 20 2HG GLN 20 7.503 -7.495 -6.457 162 2HG GLN 20 1HG GLN 20 7.863 -5.774 -6.339 163 1HE2 GLN 20 1HE2 GLN 20 9.639 -5.843 -7.663 164 2HE2 GLN 20 2HE2 GLN 20 11.121 -6.613 -7.216 165 HA PRO 21 HA PRO 21 9.003 -1.735 -4.781 166 1HB PRO 21 2HB PRO 21 11.557 -2.424 -6.102 167 2HB PRO 21 1HB PRO 21 11.194 -1.102 -4.989 168 1HG PRO 21 2HG PRO 21 12.671 -3.196 -4.224 169 2HG PRO 21 1HG PRO 21 11.529 -2.415 -3.114 170 1HD PRO 21 2HD PRO 21 11.224 -4.966 -4.661 171 2HD PRO 21 1HD PRO 21 10.751 -4.599 -2.987 172 H VAL 22 H VAL 22 7.440 -1.768 -6.313 173 HA VAL 22 HA VAL 22 7.702 -3.406 -8.678 174 HB VAL 22 HB VAL 22 5.543 -2.193 -9.350 175 1HG1 VAL 22 1HG1 VAL 22 5.573 -4.473 -8.578 176 2HG1 VAL 22 2HG1 VAL 22 4.204 -3.627 -7.856 177 3HG1 VAL 22 3HG1 VAL 22 5.651 -3.940 -6.898 178 1HG2 VAL 22 1HG2 VAL 22 5.723 -0.292 -7.845 179 2HG2 VAL 22 2HG2 VAL 22 5.682 -1.369 -6.449 180 3HG2 VAL 22 3HG2 VAL 22 4.267 -1.222 -7.491 181 H GLU 23 H GLU 23 7.046 -2.284 -10.787 182 HA GLU 23 HA GLU 23 8.535 0.215 -11.118 183 1HB GLU 23 2HB GLU 23 9.007 -2.243 -12.823 184 2HB GLU 23 1HB GLU 23 9.814 -0.692 -12.979 185 1HG GLU 23 2HG GLU 23 10.797 -1.014 -10.737 186 2HG GLU 23 1HG GLU 23 10.051 -2.609 -10.674 187 H ALA 24 H ALA 24 8.128 1.218 -13.206 188 HA ALA 24 HA ALA 24 5.370 0.844 -14.019 189 1HB ALA 24 1HB ALA 24 5.716 2.848 -15.375 190 2HB ALA 24 2HB ALA 24 7.437 2.819 -14.986 191 3HB ALA 24 3HB ALA 24 6.250 3.106 -13.713 192 H SER 25 H SER 25 8.269 -0.482 -14.821 193 HA SER 25 HA SER 25 8.036 -0.600 -17.668 194 1HB SER 25 2HB SER 25 9.739 -2.373 -15.920 195 2HB SER 25 1HB SER 25 10.052 -1.843 -17.576 196 HG SER 25 HG SER 25 11.240 -0.706 -15.865 197 H THR 26 H THR 26 7.390 -2.811 -14.981 198 HA THR 26 HA THR 26 6.254 -4.730 -16.902 199 HB THR 26 HB THR 26 6.729 -6.418 -15.035 200 HG1 THR 26 1HG THR 26 8.769 -5.406 -13.885 201 1HG2 THR 26 1HG2 THR 26 8.031 -6.347 -17.098 202 2HG2 THR 26 2HG2 THR 26 9.084 -6.671 -15.720 203 3HG2 THR 26 3HG2 THR 26 9.039 -5.060 -16.435 204 H VAL 27 H VAL 27 5.196 -2.439 -14.965 205 HA VAL 27 HA VAL 27 3.584 -3.553 -13.001 206 HB VAL 27 HB VAL 27 3.982 -1.172 -13.092 207 1HG1 VAL 27 1HG1 VAL 27 2.855 0.281 -14.709 208 2HG1 VAL 27 2HG1 VAL 27 2.258 -1.142 -15.562 209 3HG1 VAL 27 3HG1 VAL 27 3.992 -0.818 -15.492 210 1HG2 VAL 27 1HG2 VAL 27 2.008 -1.920 -11.892 211 2HG2 VAL 27 2HG2 VAL 27 1.050 -1.821 -13.367 212 3HG2 VAL 27 3HG2 VAL 27 1.709 -0.353 -12.643 213 H ASP 28 H ASP 28 2.839 -2.993 -16.421 214 HA ASP 28 HA ASP 28 0.117 -3.618 -16.356 215 1HB ASP 28 2HB ASP 28 2.176 -3.814 -18.548 216 2HB ASP 28 1HB ASP 28 0.481 -4.198 -18.819 217 H ASP 29 H ASP 29 2.905 -5.725 -16.988 218 HA ASP 29 HA ASP 29 1.249 -8.026 -17.432 219 1HB ASP 29 2HB ASP 29 3.653 -7.568 -18.328 220 2HB ASP 29 1HB ASP 29 4.183 -8.164 -16.759 221 H TRP 30 H TRP 30 3.108 -6.713 -14.742 222 HA TRP 30 HA TRP 30 3.021 -8.922 -13.027 223 1HB TRP 30 2HB TRP 30 4.426 -6.893 -12.682 224 2HB TRP 30 1HB TRP 30 2.978 -6.003 -12.230 225 HD1 TRP 30 HD TRP 30 5.180 -8.917 -10.968 226 HE1 TRP 30 1HE TRP 30 4.894 -9.103 -8.410 227 HE3 TRP 30 3HE TRP 30 1.490 -5.438 -10.299 228 HZ2 TRP 30 2HZ TRP 30 3.322 -7.940 -6.396 229 HZ3 TRP 30 3HZ TRP 30 0.651 -5.045 -8.020 230 HH2 TRP 30 HH TRP 30 1.547 -6.270 -6.110 231 H ILE 31 H ILE 31 0.792 -6.149 -13.275 232 HA ILE 31 HA ILE 31 -0.964 -6.868 -11.225 233 HB ILE 31 HB ILE 31 -1.555 -5.409 -13.808 234 1HG1 ILE 31 2HG1 ILE 31 0.121 -4.307 -12.389 235 2HG1 ILE 31 1HG1 ILE 31 -1.379 -3.386 -12.425 236 1HG2 ILE 31 1HG2 ILE 31 -3.612 -6.295 -12.866 237 2HG2 ILE 31 2HG2 ILE 31 -3.552 -4.541 -12.681 238 3HG2 ILE 31 3HG2 ILE 31 -3.220 -5.587 -11.299 239 1HD1 ILE 31 1HD1 ILE 31 -0.464 -3.438 -10.200 240 2HD1 ILE 31 2HD1 ILE 31 -0.461 -5.203 -10.212 241 3HD1 ILE 31 3HD1 ILE 31 -1.990 -4.321 -10.250 242 H LYS 32 H LYS 32 -1.020 -7.710 -14.646 243 HA LYS 32 HA LYS 32 -3.412 -9.219 -14.556 244 1HB LYS 32 2HB LYS 32 -2.717 -8.307 -16.634 245 2HB LYS 32 1HB LYS 32 -1.121 -9.014 -16.503 246 1HG LYS 32 2HG LYS 32 -3.491 -10.806 -16.704 247 2HG LYS 32 1HG LYS 32 -2.896 -9.990 -18.148 248 1HD LYS 32 2HD LYS 32 -1.412 -11.917 -16.365 249 2HD LYS 32 1HD LYS 32 -1.856 -12.139 -18.058 250 1HE LYS 32 2HE LYS 32 -0.364 -10.227 -18.632 251 2HE LYS 32 1HE LYS 32 0.147 -10.178 -16.945 252 1HZ LYS 32 1HZ LYS 32 0.689 -12.234 -18.978 253 2HZ LYS 32 2HZ LYS 32 0.735 -12.632 -17.332 254 3HZ LYS 32 3HZ LYS 32 1.771 -11.439 -17.937 255 H ARG 33 H ARG 33 -0.055 -9.996 -13.965 256 HA ARG 33 HA ARG 33 -0.388 -12.835 -14.200 257 1HB ARG 33 2HB ARG 33 1.754 -11.176 -14.285 258 2HB ARG 33 1HB ARG 33 1.896 -11.784 -12.645 259 1HG ARG 33 2HG ARG 33 1.472 -13.766 -14.805 260 2HG ARG 33 1HG ARG 33 3.039 -12.968 -14.725 261 1HD ARG 33 2HD ARG 33 3.236 -14.971 -13.482 262 2HD ARG 33 1HD ARG 33 3.149 -13.662 -12.308 263 HE ARG 33 HE ARG 33 0.611 -14.380 -12.360 264 1HH1 ARG 33 1HH1 ARG 33 3.452 -16.431 -12.372 265 2HH1 ARG 33 2HH1 ARG 33 2.675 -17.707 -11.489 266 1HH2 ARG 33 1HH2 ARG 33 -0.398 -16.054 -11.187 267 2HH2 ARG 33 2HH2 ARG 33 0.492 -17.500 -10.815 268 H VAL 34 H VAL 34 -0.142 -10.551 -11.483 269 HA VAL 34 HA VAL 34 -0.407 -12.731 -9.590 270 HB VAL 34 HB VAL 34 -0.285 -11.008 -7.841 271 1HG1 VAL 34 1HG1 VAL 34 1.766 -11.978 -8.685 272 2HG1 VAL 34 2HG1 VAL 34 2.017 -10.279 -8.289 273 3HG1 VAL 34 3HG1 VAL 34 1.830 -10.775 -9.971 274 1HG2 VAL 34 1HG2 VAL 34 0.179 -8.677 -8.420 275 2HG2 VAL 34 2HG2 VAL 34 -1.412 -9.176 -8.994 276 3HG2 VAL 34 3HG2 VAL 34 -0.066 -9.053 -10.125 277 H GLY 35 H GLY 35 -2.404 -10.094 -10.812 278 1HA GLY 35 2HA GLY 35 -4.739 -10.287 -11.089 279 2HA GLY 35 1HA GLY 35 -4.756 -11.560 -9.879 280 H ASP 36 H ASP 36 -3.509 -10.415 -7.764 281 HA ASP 36 HA ASP 36 -5.116 -8.024 -7.178 282 1HB ASP 36 2HB ASP 36 -5.260 -8.905 -4.823 283 2HB ASP 36 1HB ASP 36 -6.169 -9.826 -6.013 284 H GLY 37 H GLY 37 -4.240 -6.803 -5.252 285 1HA GLY 37 2HA GLY 37 -2.040 -6.866 -3.865 286 2HA GLY 37 1HA GLY 37 -1.314 -6.713 -5.459 287 H VAL 38 H VAL 38 -0.594 -4.810 -3.856 288 HA VAL 38 HA VAL 38 -2.137 -2.496 -4.786 289 HB VAL 38 HB VAL 38 -1.599 -1.352 -2.593 290 1HG1 VAL 38 1HG1 VAL 38 -3.499 -3.693 -2.540 291 2HG1 VAL 38 2HG1 VAL 38 -3.850 -2.068 -3.134 292 3HG1 VAL 38 3HG1 VAL 38 -3.525 -2.330 -1.420 293 1HG2 VAL 38 1HG2 VAL 38 -1.103 -4.193 -1.703 294 2HG2 VAL 38 2HG2 VAL 38 -1.281 -2.807 -0.627 295 3HG2 VAL 38 3HG2 VAL 38 0.080 -2.886 -1.748 296 H ILE 39 H ILE 39 -0.898 -1.092 -5.823 297 HA ILE 39 HA ILE 39 1.995 -1.113 -5.370 298 HB ILE 39 HB ILE 39 0.301 0.150 -7.535 299 1HG1 ILE 39 2HG1 ILE 39 1.926 -1.109 -9.016 300 2HG1 ILE 39 1HG1 ILE 39 2.550 -1.875 -7.558 301 1HG2 ILE 39 1HG2 ILE 39 2.336 1.142 -8.472 302 2HG2 ILE 39 2HG2 ILE 39 3.237 0.631 -7.047 303 3HG2 ILE 39 3HG2 ILE 39 1.944 1.817 -6.893 304 1HD1 ILE 39 1HD1 ILE 39 0.312 -2.792 -7.123 305 2HD1 ILE 39 2HD1 ILE 39 0.993 -3.331 -8.655 306 3HD1 ILE 39 3HD1 ILE 39 -0.254 -2.081 -8.636 307 H LEU 40 H LEU 40 2.640 0.130 -3.738 308 HA LEU 40 HA LEU 40 1.151 2.532 -3.058 309 1HB LEU 40 2HB LEU 40 1.976 0.931 -1.317 310 2HB LEU 40 1HB LEU 40 3.615 1.370 -1.750 311 HG LEU 40 HG LEU 40 2.496 2.446 0.338 312 1HD1 LEU 40 1HD1 LEU 40 3.776 4.499 0.039 313 2HD1 LEU 40 2HD1 LEU 40 3.932 4.160 -1.686 314 3HD1 LEU 40 3HD1 LEU 40 4.690 3.091 -0.503 315 1HD2 LEU 40 1HD2 LEU 40 0.441 3.151 -0.756 316 2HD2 LEU 40 2HD2 LEU 40 1.361 4.181 -1.851 317 3HD2 LEU 40 3HD2 LEU 40 1.323 4.544 -0.127 318 H LEU 41 H LEU 41 1.550 4.240 -4.262 319 HA LEU 41 HA LEU 41 4.072 4.740 -5.525 320 1HB LEU 41 2HB LEU 41 1.582 6.414 -5.200 321 2HB LEU 41 1HB LEU 41 3.008 6.995 -6.031 322 HG LEU 41 HG LEU 41 2.749 5.054 -7.631 323 1HD1 LEU 41 1HD1 LEU 41 1.333 3.623 -6.270 324 2HD1 LEU 41 2HD1 LEU 41 0.528 4.033 -7.787 325 3HD1 LEU 41 3HD1 LEU 41 0.056 4.840 -6.289 326 1HD2 LEU 41 1HD2 LEU 41 0.532 7.087 -7.463 327 2HD2 LEU 41 2HD2 LEU 41 0.947 6.144 -8.893 328 3HD2 LEU 41 3HD2 LEU 41 2.102 7.303 -8.238 329 H SER 42 H SER 42 5.558 6.394 -5.029 330 HA SER 42 HA SER 42 6.208 6.757 -2.356 331 1HB SER 42 2HB SER 42 6.909 8.720 -4.539 332 2HB SER 42 1HB SER 42 7.871 8.272 -3.128 333 HG SER 42 HG SER 42 8.559 6.536 -4.136 334 H SER 43 H SER 43 4.879 7.659 -0.901 335 HA SER 43 HA SER 43 2.750 9.369 -1.710 336 1HB SER 43 2HB SER 43 3.561 8.628 1.105 337 2HB SER 43 1HB SER 43 1.967 9.149 0.550 338 HG SER 43 HG SER 43 2.711 7.076 -0.933 339 H ASP 44 H ASP 44 5.876 10.143 -1.107 340 HA ASP 44 HA ASP 44 6.989 12.099 -0.840 341 1HB ASP 44 2HB ASP 44 5.338 13.011 -2.425 342 2HB ASP 44 1HB ASP 44 4.248 13.367 -1.090 343 HA PRO 45 HA PRO 45 6.283 12.450 3.627 344 1HB PRO 45 2HB PRO 45 9.159 12.750 3.824 345 2HB PRO 45 1HB PRO 45 8.146 11.438 4.427 346 1HG PRO 45 2HG PRO 45 9.930 11.158 2.374 347 2HG PRO 45 1HG PRO 45 8.480 10.156 2.562 348 1HD PRO 45 2HD PRO 45 8.943 12.510 0.772 349 2HD PRO 45 1HD PRO 45 8.073 10.995 0.442 350 H ARG 46 H ARG 46 5.348 14.545 2.994 351 HA ARG 46 HA ARG 46 7.104 16.808 2.647 352 1HB ARG 46 2HB ARG 46 4.818 16.466 1.563 353 2HB ARG 46 1HB ARG 46 4.125 16.850 3.131 354 1HG ARG 46 2HG ARG 46 4.109 18.783 1.665 355 2HG ARG 46 1HG ARG 46 5.154 19.057 3.059 356 1HD ARG 46 2HD ARG 46 6.131 19.870 0.941 357 2HD ARG 46 1HD ARG 46 7.117 18.641 1.728 358 HE ARG 46 HE ARG 46 5.976 17.052 0.075 359 1HH1 ARG 46 1HH1 ARG 46 6.526 20.450 -0.649 360 2HH1 ARG 46 2HH1 ARG 46 6.798 20.161 -2.345 361 1HH2 ARG 46 1HH2 ARG 46 6.336 16.691 -2.135 362 2HH2 ARG 46 2HH2 ARG 46 6.672 18.039 -3.187 363 H ARG 47 H ARG 47 7.661 15.531 5.033 364 HA ARG 47 HA ARG 47 8.093 15.924 7.221 365 1HB ARG 47 2HB ARG 47 8.638 18.203 6.286 366 2HB ARG 47 1HB ARG 47 7.022 18.711 6.755 367 1HG ARG 47 2HG ARG 47 7.533 18.276 9.085 368 2HG ARG 47 1HG ARG 47 9.137 17.690 8.639 369 1HD ARG 47 2HD ARG 47 9.750 19.868 7.806 370 2HD ARG 47 1HD ARG 47 8.117 20.473 8.091 371 HE ARG 47 HE ARG 47 8.951 19.581 10.540 372 1HH1 ARG 47 1HH1 ARG 47 10.247 21.842 8.181 373 2HH1 ARG 47 2HH1 ARG 47 10.969 22.873 9.379 374 1HH2 ARG 47 1HH2 ARG 47 9.932 20.927 12.108 375 2HH2 ARG 47 2HH2 ARG 47 10.791 22.357 11.606 376 H THR 48 H THR 48 5.336 15.207 6.171 377 HA THR 48 HA THR 48 3.349 16.157 7.896 378 HB THR 48 HB THR 48 3.406 13.372 6.733 379 HG1 THR 48 1HG THR 48 2.585 14.404 4.802 380 1HG2 THR 48 1HG2 THR 48 0.991 13.787 6.448 381 2HG2 THR 48 2HG2 THR 48 1.186 15.378 7.184 382 3HG2 THR 48 3HG2 THR 48 1.483 13.923 8.135 383 HA PRO 49 HA PRO 49 4.491 14.353 11.812 384 1HB PRO 49 2HB PRO 49 1.950 14.251 12.889 385 2HB PRO 49 1HB PRO 49 2.993 15.676 12.893 386 1HG PRO 49 2HG PRO 49 0.762 14.963 11.035 387 2HG PRO 49 1HG PRO 49 1.173 16.537 11.740 388 1HD PRO 49 2HD PRO 49 1.795 15.946 9.204 389 2HD PRO 49 1HD PRO 49 2.895 16.902 10.221 390 H GLU 50 H GLU 50 2.106 12.939 9.718 391 HA GLU 50 HA GLU 50 2.767 10.321 10.855 392 1HB GLU 50 2HB GLU 50 0.475 9.559 10.184 393 2HB GLU 50 1HB GLU 50 0.509 10.708 11.511 394 1HG GLU 50 2HG GLU 50 -0.039 12.507 9.889 395 2HG GLU 50 1HG GLU 50 -0.221 11.265 8.649 396 H VAL 51 H VAL 51 2.356 8.537 9.216 397 HA VAL 51 HA VAL 51 3.139 7.545 7.321 398 HB VAL 51 HB VAL 51 2.553 10.138 5.864 399 1HG1 VAL 51 1HG1 VAL 51 2.133 8.647 3.946 400 2HG1 VAL 51 2HG1 VAL 51 2.600 7.264 4.937 401 3HG1 VAL 51 3HG1 VAL 51 3.786 8.511 4.549 402 1HG2 VAL 51 1HG2 VAL 51 0.304 9.238 5.416 403 2HG2 VAL 51 2HG2 VAL 51 0.570 9.544 7.131 404 3HG2 VAL 51 3HG2 VAL 51 0.638 7.896 6.510 405 H SER 52 H SER 52 4.782 9.121 9.123 406 HA SER 52 HA SER 52 6.805 10.424 7.548 407 1HB SER 52 2HB SER 52 7.028 9.675 10.455 408 2HB SER 52 1HB SER 52 7.761 11.039 9.611 409 HG SER 52 HG SER 52 5.642 11.917 9.368 410 H ASP 53 H ASP 53 7.844 8.990 6.270 411 HA ASP 53 HA ASP 53 9.579 7.622 5.723 412 1HB ASP 53 2HB ASP 53 10.302 8.334 8.216 413 2HB ASP 53 1HB ASP 53 10.049 6.613 8.476 414 H ASN 54 H ASN 54 7.616 6.246 8.340 415 HA ASN 54 HA ASN 54 7.481 3.657 7.003 416 1HB ASN 54 2HB ASN 54 7.693 3.737 9.465 417 2HB ASN 54 1HB ASN 54 6.204 4.667 9.567 418 1HD2 ASN 54 1HD2 ASN 54 5.108 3.222 10.811 419 2HD2 ASN 54 2HD2 ASN 54 4.597 1.669 10.246 420 HA PRO 55 HA PRO 55 3.836 4.537 4.523 421 1HB PRO 55 2HB PRO 55 3.238 1.774 5.526 422 2HB PRO 55 1HB PRO 55 3.041 2.442 3.900 423 1HG PRO 55 2HG PRO 55 5.139 0.918 4.484 424 2HG PRO 55 1HG PRO 55 5.315 2.341 3.440 425 1HD PRO 55 2HD PRO 55 6.198 1.932 6.242 426 2HD PRO 55 1HD PRO 55 6.865 2.995 4.986 427 H VAL 56 H VAL 56 3.323 2.738 7.578 428 HA VAL 56 HA VAL 56 2.018 3.142 9.385 429 HB VAL 56 HB VAL 56 1.511 5.801 8.051 430 1HG1 VAL 56 1HG1 VAL 56 -0.423 5.256 9.424 431 2HG1 VAL 56 2HG1 VAL 56 0.527 6.538 10.175 432 3HG1 VAL 56 3HG1 VAL 56 0.628 4.887 10.788 433 1HG2 VAL 56 1HG2 VAL 56 3.176 5.000 10.437 434 2HG2 VAL 56 2HG2 VAL 56 2.946 6.649 9.857 435 3HG2 VAL 56 3HG2 VAL 56 3.780 5.469 8.847 436 H MET 57 H MET 57 0.540 3.689 6.240 437 HA MET 57 HA MET 57 -2.055 2.878 7.356 438 1HB MET 57 2HB MET 57 -1.432 4.158 4.694 439 2HB MET 57 1HB MET 57 -3.036 3.790 5.307 440 1HG MET 57 2HG MET 57 -1.095 5.740 6.521 441 2HG MET 57 1HG MET 57 -2.490 6.152 5.531 442 1HE MET 57 1HE MET 57 -3.586 7.381 9.070 443 2HE MET 57 2HE MET 57 -3.390 7.813 7.369 444 3HE MET 57 3HE MET 57 -1.972 7.451 8.358 445 H ILE 58 H ILE 58 0.466 1.818 5.221 446 HA ILE 58 HA ILE 58 -1.296 0.232 3.577 447 HB ILE 58 HB ILE 58 1.715 0.481 3.548 448 1HG1 ILE 58 2HG1 ILE 58 1.166 1.498 1.263 449 2HG1 ILE 58 1HG1 ILE 58 -0.503 1.564 1.808 450 1HG2 ILE 58 1HG2 ILE 58 1.677 -0.804 1.469 451 2HG2 ILE 58 2HG2 ILE 58 -0.056 -1.062 1.654 452 3HG2 ILE 58 3HG2 ILE 58 1.066 -1.763 2.818 453 1HD1 ILE 58 1HD1 ILE 58 0.592 3.701 2.088 454 2HD1 ILE 58 2HD1 ILE 58 1.836 2.958 3.091 455 3HD1 ILE 58 3HD1 ILE 58 0.164 3.019 3.655 456 H ALA 59 H ALA 59 1.529 -0.652 5.611 457 HA ALA 59 HA ALA 59 0.952 -3.441 5.387 458 1HB ALA 59 1HB ALA 59 3.232 -2.646 5.741 459 2HB ALA 59 2HB ALA 59 2.744 -3.742 7.032 460 3HB ALA 59 3HB ALA 59 2.773 -2.001 7.317 461 H GLU 60 H GLU 60 0.288 -0.935 7.701 462 HA GLU 60 HA GLU 60 -0.686 -2.541 9.790 463 1HB GLU 60 2HB GLU 60 -1.199 0.338 9.031 464 2HB GLU 60 1HB GLU 60 -1.753 -0.388 10.528 465 1HG GLU 60 2HG GLU 60 0.266 0.893 10.904 466 2HG GLU 60 1HG GLU 60 0.556 -0.817 11.192 467 H LEU 61 H LEU 61 -2.140 -1.222 6.896 468 HA LEU 61 HA LEU 61 -4.852 -1.762 7.396 469 1HB LEU 61 2HB LEU 61 -3.914 -0.465 5.471 470 2HB LEU 61 1HB LEU 61 -3.360 -1.968 4.778 471 HG LEU 61 HG LEU 61 -5.743 -2.726 4.669 472 1HD1 LEU 61 1HD1 LEU 61 -6.303 0.147 5.387 473 2HD1 LEU 61 2HD1 LEU 61 -6.677 -1.267 6.372 474 3HD1 LEU 61 3HD1 LEU 61 -7.491 -1.028 4.825 475 1HD2 LEU 61 1HD2 LEU 61 -6.273 -1.418 2.701 476 2HD2 LEU 61 2HD2 LEU 61 -4.554 -1.802 2.732 477 3HD2 LEU 61 3HD2 LEU 61 -5.104 -0.187 3.177 478 H LEU 62 H LEU 62 -2.375 -3.658 5.757 479 HA LEU 62 HA LEU 62 -3.895 -5.947 5.228 480 1HB LEU 62 2HB LEU 62 -1.745 -5.509 4.162 481 2HB LEU 62 1HB LEU 62 -0.923 -5.695 5.698 482 HG LEU 62 HG LEU 62 -1.668 -8.081 5.745 483 1HD1 LEU 62 1HD1 LEU 62 -2.553 -7.497 2.923 484 2HD1 LEU 62 2HD1 LEU 62 -3.607 -7.884 4.286 485 3HD1 LEU 62 3HD1 LEU 62 -2.475 -9.092 3.676 486 1HD2 LEU 62 1HD2 LEU 62 -0.049 -7.267 3.337 487 2HD2 LEU 62 2HD2 LEU 62 -0.053 -8.858 4.093 488 3HD2 LEU 62 3HD2 LEU 62 0.566 -7.465 4.974 489 H ARG 63 H ARG 63 -2.028 -5.028 8.058 490 HA ARG 63 HA ARG 63 -1.879 -7.413 9.419 491 1HB ARG 63 2HB ARG 63 -1.799 -4.577 10.139 492 2HB ARG 63 1HB ARG 63 -2.299 -5.634 11.452 493 1HG ARG 63 2HG ARG 63 -0.256 -6.988 11.058 494 2HG ARG 63 1HG ARG 63 0.259 -5.784 9.875 495 1HD ARG 63 2HD ARG 63 0.477 -4.115 11.501 496 2HD ARG 63 1HD ARG 63 -0.476 -5.014 12.678 497 HE ARG 63 HE ARG 63 1.889 -6.435 11.980 498 1HH1 ARG 63 1HH1 ARG 63 0.718 -3.720 13.848 499 2HH1 ARG 63 2HH1 ARG 63 1.962 -3.843 15.062 500 1HH2 ARG 63 1HH2 ARG 63 3.542 -6.596 13.530 501 2HH2 ARG 63 2HH2 ARG 63 3.605 -5.479 14.860 502 H GLU 64 H GLU 64 -4.701 -5.334 9.085 503 HA GLU 64 HA GLU 64 -6.157 -7.298 10.691 504 1HB GLU 64 2HB GLU 64 -7.697 -5.439 11.294 505 2HB GLU 64 1HB GLU 64 -6.094 -5.324 11.985 506 1HG GLU 64 2HG GLU 64 -5.503 -3.673 10.272 507 2HG GLU 64 1HG GLU 64 -7.144 -3.780 9.628 508 H PHE 65 H PHE 65 -5.689 -7.089 7.727 509 HA PHE 65 HA PHE 65 -8.466 -6.825 6.842 510 1HB PHE 65 2HB PHE 65 -5.931 -6.575 5.504 511 2HB PHE 65 1HB PHE 65 -6.881 -7.832 4.723 512 HD1 PHE 65 1HD PHE 65 -9.613 -6.818 5.061 513 HD2 PHE 65 2HD PHE 65 -6.021 -4.778 4.046 514 HE1 PHE 65 1HE PHE 65 -10.926 -5.113 3.869 515 HE2 PHE 65 2HE PHE 65 -7.329 -3.068 2.854 516 HZ PHE 65 HZ PHE 65 -9.782 -3.231 2.768 517 HA PRO 66 HA PRO 66 -8.619 -11.311 7.363 518 1HB PRO 66 2HB PRO 66 -11.311 -11.189 8.136 519 2HB PRO 66 1HB PRO 66 -9.924 -11.241 9.224 520 1HG PRO 66 2HG PRO 66 -11.725 -9.093 8.871 521 2HG PRO 66 1HG PRO 66 -10.215 -9.075 9.793 522 1HD PRO 66 2HD PRO 66 -10.764 -8.089 7.041 523 2HD PRO 66 1HD PRO 66 -9.590 -7.509 8.243 524 H GLN 67 H GLN 67 -9.572 -9.279 5.124 525 HA GLN 67 HA GLN 67 -11.755 -10.637 3.867 526 1HB GLN 67 2HB GLN 67 -10.858 -8.126 3.712 527 2HB GLN 67 1HB GLN 67 -9.961 -8.783 2.356 528 1HG GLN 67 2HG GLN 67 -12.952 -8.749 2.699 529 2HG GLN 67 1HG GLN 67 -12.000 -7.762 1.594 530 1HE2 GLN 67 1HE2 GLN 67 -13.423 -10.840 2.177 531 2HE2 GLN 67 2HE2 GLN 67 -13.099 -11.523 0.626 532 H PHE 68 H PHE 68 -8.297 -10.232 3.136 533 HA PHE 68 HA PHE 68 -7.898 -12.885 2.311 534 1HB PHE 68 2HB PHE 68 -7.659 -12.643 -0.084 535 2HB PHE 68 1HB PHE 68 -9.282 -12.157 0.379 536 HD1 PHE 68 1HD PHE 68 -8.500 -9.332 1.375 537 HD2 PHE 68 2HD PHE 68 -7.560 -11.538 -2.146 538 HE1 PHE 68 1HE PHE 68 -8.241 -7.230 0.127 539 HE2 PHE 68 2HE PHE 68 -7.289 -9.437 -3.392 540 HZ PHE 68 HZ PHE 68 -7.631 -7.282 -2.257 541 H ASP 69 H ASP 69 -5.746 -12.953 0.926 542 HA ASP 69 HA ASP 69 -3.920 -10.928 2.032 543 1HB ASP 69 2HB ASP 69 -3.476 -13.864 1.462 544 2HB ASP 69 1HB ASP 69 -2.146 -12.738 1.699 545 H TRP 70 H TRP 70 -2.402 -10.036 0.643 546 HA TRP 70 HA TRP 70 -2.448 -10.728 -2.143 547 1HB TRP 70 2HB TRP 70 -3.100 -8.375 -2.807 548 2HB TRP 70 1HB TRP 70 -4.391 -9.414 -2.241 549 HD1 TRP 70 HD TRP 70 -3.136 -8.504 0.942 550 HE1 TRP 70 1HE TRP 70 -4.223 -6.372 1.877 551 HE3 TRP 70 3HE TRP 70 -5.074 -6.633 -3.393 552 HZ2 TRP 70 2HZ TRP 70 -5.710 -4.177 0.899 553 HZ3 TRP 70 3HZ TRP 70 -6.317 -4.517 -3.312 554 HH2 TRP 70 HH TRP 70 -6.628 -3.313 -1.210 555 H GLN 71 H GLN 71 -1.094 -9.187 -3.454 556 HA GLN 71 HA GLN 71 1.474 -9.166 -2.201 557 1HB GLN 71 2HB GLN 71 0.584 -8.247 -4.944 558 2HB GLN 71 1HB GLN 71 2.251 -8.250 -4.412 559 1HG GLN 71 2HG GLN 71 1.701 -10.165 -5.829 560 2HG GLN 71 1HG GLN 71 2.242 -10.647 -4.224 561 1HE2 GLN 71 1HE2 GLN 71 -0.580 -10.241 -6.270 562 2HE2 GLN 71 2HE2 GLN 71 -1.594 -11.363 -5.430 563 H VAL 72 H VAL 72 2.117 -7.622 -0.885 564 HA VAL 72 HA VAL 72 1.226 -4.879 -1.231 565 HB VAL 72 HB VAL 72 3.096 -6.055 0.834 566 1HG1 VAL 72 1HG1 VAL 72 2.756 -3.982 2.060 567 2HG1 VAL 72 2HG1 VAL 72 1.719 -3.374 0.771 568 3HG1 VAL 72 3HG1 VAL 72 3.432 -3.649 0.466 569 1HG2 VAL 72 1HG2 VAL 72 1.182 -5.882 2.359 570 2HG2 VAL 72 2HG2 VAL 72 0.861 -6.989 1.024 571 3HG2 VAL 72 3HG2 VAL 72 0.166 -5.368 1.013 572 H ALA 73 H ALA 73 2.279 -3.547 -2.540 573 HA ALA 73 HA ALA 73 5.161 -3.961 -2.957 574 1HB ALA 73 1HB ALA 73 3.965 -4.821 -4.876 575 2HB ALA 73 2HB ALA 73 4.845 -3.358 -5.311 576 3HB ALA 73 3HB ALA 73 3.103 -3.294 -5.053 577 H VAL 74 H VAL 74 6.295 -2.052 -3.735 578 HA VAL 74 HA VAL 74 4.995 0.513 -3.228 579 HB VAL 74 HB VAL 74 5.919 -0.185 -1.041 580 1HG1 VAL 74 1HG1 VAL 74 7.732 -1.597 -1.803 581 2HG1 VAL 74 2HG1 VAL 74 8.345 -0.341 -0.727 582 3HG1 VAL 74 3HG1 VAL 74 8.572 -0.196 -2.470 583 1HG2 VAL 74 1HG2 VAL 74 5.814 2.178 -1.514 584 2HG2 VAL 74 2HG2 VAL 74 7.377 2.116 -2.327 585 3HG2 VAL 74 3HG2 VAL 74 7.275 1.821 -0.592 586 H ALA 75 H ALA 75 6.045 2.269 -4.246 587 HA ALA 75 HA ALA 75 8.063 1.489 -6.235 588 1HB ALA 75 1HB ALA 75 6.028 2.582 -7.084 589 2HB ALA 75 2HB ALA 75 7.472 3.538 -7.410 590 3HB ALA 75 3HB ALA 75 6.389 3.998 -6.096 591 H ASP 76 H ASP 76 9.880 2.919 -6.621 592 HA ASP 76 HA ASP 76 11.194 3.630 -4.221 593 1HB ASP 76 2HB ASP 76 12.918 4.633 -5.862 594 2HB ASP 76 1HB ASP 76 12.635 2.898 -5.905 595 H LEU 77 H LEU 77 11.023 5.894 -6.928 596 HA LEU 77 HA LEU 77 9.535 7.861 -5.443 597 1HB LEU 77 2HB LEU 77 11.782 8.064 -4.428 598 2HB LEU 77 1HB LEU 77 12.462 8.351 -6.018 599 HG LEU 77 HG LEU 77 11.121 10.422 -6.193 600 1HD1 LEU 77 1HD1 LEU 77 9.294 9.803 -4.703 601 2HD1 LEU 77 2HD1 LEU 77 10.034 11.323 -4.203 602 3HD1 LEU 77 3HD1 LEU 77 10.395 9.836 -3.327 603 1HD2 LEU 77 1HD2 LEU 77 12.889 10.245 -3.755 604 2HD2 LEU 77 2HD2 LEU 77 12.440 11.729 -4.595 605 3HD2 LEU 77 3HD2 LEU 77 13.427 10.517 -5.412 606 H GLU 78 H GLU 78 11.842 7.335 -8.065 607 HA GLU 78 HA GLU 78 10.893 9.361 -9.789 608 1HB GLU 78 2HB GLU 78 13.112 8.343 -9.989 609 2HB GLU 78 1HB GLU 78 12.373 6.805 -10.394 610 1HG GLU 78 2HG GLU 78 11.379 7.925 -12.404 611 2HG GLU 78 1HG GLU 78 12.392 9.320 -12.029 612 H GLN 79 H GLN 79 10.270 5.900 -9.563 613 HA GLN 79 HA GLN 79 8.696 5.768 -11.909 614 1HB GLN 79 2HB GLN 79 8.923 3.827 -9.613 615 2HB GLN 79 1HB GLN 79 8.151 3.487 -11.156 616 1HG GLN 79 2HG GLN 79 10.388 4.108 -12.210 617 2HG GLN 79 1HG GLN 79 11.047 3.981 -10.582 618 1HE2 GLN 79 1HE2 GLN 79 11.089 1.977 -9.556 619 2HE2 GLN 79 2HE2 GLN 79 10.921 0.498 -10.453 620 H SER 80 H SER 80 7.930 6.585 -8.640 621 HA SER 80 HA SER 80 5.256 6.011 -8.420 622 1HB SER 80 2HB SER 80 6.658 7.094 -6.672 623 2HB SER 80 1HB SER 80 6.594 8.597 -7.587 624 HG SER 80 HG SER 80 4.879 8.924 -6.408 625 H GLU 81 H GLU 81 6.774 8.673 -10.196 626 HA GLU 81 HA GLU 81 4.345 9.965 -10.927 627 1HB GLU 81 2HB GLU 81 6.547 11.097 -10.886 628 2HB GLU 81 1HB GLU 81 7.070 10.106 -12.241 629 1HG GLU 81 2HG GLU 81 5.317 11.094 -13.630 630 2HG GLU 81 1HG GLU 81 4.807 12.090 -12.267 631 H ALA 82 H ALA 82 6.469 7.627 -12.520 632 HA ALA 82 HA ALA 82 5.132 7.640 -15.010 633 1HB ALA 82 1HB ALA 82 7.438 6.878 -14.750 634 2HB ALA 82 2HB ALA 82 6.432 5.642 -15.506 635 3HB ALA 82 3HB ALA 82 6.876 5.498 -13.807 636 H ILE 83 H ILE 83 4.838 5.553 -12.149 637 HA ILE 83 HA ILE 83 3.001 3.742 -13.320 638 HB ILE 83 HB ILE 83 3.372 4.421 -10.395 639 1HG1 ILE 83 2HG1 ILE 83 4.518 2.156 -12.045 640 2HG1 ILE 83 1HG1 ILE 83 5.415 3.580 -11.532 641 1HG2 ILE 83 1HG2 ILE 83 1.218 3.350 -10.836 642 2HG2 ILE 83 2HG2 ILE 83 2.299 2.269 -9.958 643 3HG2 ILE 83 3HG2 ILE 83 2.037 2.041 -11.688 644 1HD1 ILE 83 1HD1 ILE 83 5.105 2.930 -9.198 645 2HD1 ILE 83 2HD1 ILE 83 5.910 1.666 -10.127 646 3HD1 ILE 83 3HD1 ILE 83 4.202 1.507 -9.718 647 H GLY 84 H GLY 84 2.591 6.712 -11.431 648 1HA GLY 84 2HA GLY 84 -0.221 6.632 -11.266 649 2HA GLY 84 1HA GLY 84 0.764 8.085 -11.179 650 H ASP 85 H ASP 85 1.944 8.042 -13.676 651 HA ASP 85 HA ASP 85 -0.090 9.226 -15.269 652 1HB ASP 85 2HB ASP 85 2.400 9.777 -15.239 653 2HB ASP 85 1HB ASP 85 2.625 8.356 -16.247 654 H ARG 86 H ARG 86 1.428 6.106 -15.198 655 HA ARG 86 HA ARG 86 0.740 4.875 -17.537 656 1HB ARG 86 2HB ARG 86 1.916 3.774 -15.687 657 2HB ARG 86 1HB ARG 86 0.442 3.761 -14.741 658 1HG ARG 86 2HG ARG 86 0.699 1.580 -15.560 659 2HG ARG 86 1HG ARG 86 -0.564 2.312 -16.547 660 1HD ARG 86 2HD ARG 86 2.302 2.315 -17.428 661 2HD ARG 86 1HD ARG 86 1.268 0.916 -17.703 662 HE ARG 86 HE ARG 86 0.491 3.575 -18.704 663 1HH1 ARG 86 1HH1 ARG 86 1.261 0.196 -19.252 664 2HH1 ARG 86 2HH1 ARG 86 0.767 0.235 -20.920 665 1HH2 ARG 86 1HH2 ARG 86 -0.162 3.626 -20.877 666 2HH2 ARG 86 2HH2 ARG 86 -0.067 2.177 -21.841 667 H PHE 87 H PHE 87 -1.384 5.523 -14.791 668 HA PHE 87 HA PHE 87 -3.686 4.609 -16.357 669 1HB PHE 87 2HB PHE 87 -3.908 5.745 -13.585 670 2HB PHE 87 1HB PHE 87 -4.911 4.529 -14.371 671 HD1 PHE 87 1HD PHE 87 -2.326 5.103 -12.063 672 HD2 PHE 87 2HD PHE 87 -3.728 2.257 -14.892 673 HE1 PHE 87 1HE PHE 87 -1.022 3.356 -10.947 674 HE2 PHE 87 2HE PHE 87 -2.424 0.496 -13.776 675 HZ PHE 87 HZ PHE 87 -1.064 1.044 -11.797 676 H ASN 88 H ASN 88 -3.443 7.289 -14.080 677 HA ASN 88 HA ASN 88 -3.323 9.410 -15.803 678 1HB ASN 88 2HB ASN 88 -5.607 10.212 -15.909 679 2HB ASN 88 1HB ASN 88 -5.496 8.630 -16.655 680 1HD2 ASN 88 1HD2 ASN 88 -6.798 10.495 -14.066 681 2HD2 ASN 88 2HD2 ASN 88 -7.868 9.281 -13.447 682 H VAL 89 H VAL 89 -2.667 8.413 -13.054 683 HA VAL 89 HA VAL 89 -3.931 10.493 -11.406 684 HB VAL 89 HB VAL 89 -2.369 8.083 -10.456 685 1HG1 VAL 89 1HG1 VAL 89 -2.372 9.901 -8.855 686 2HG1 VAL 89 2HG1 VAL 89 -3.416 8.602 -8.277 687 3HG1 VAL 89 3HG1 VAL 89 -4.124 10.054 -8.987 688 1HG2 VAL 89 1HG2 VAL 89 -4.374 7.322 -11.586 689 2HG2 VAL 89 2HG2 VAL 89 -5.357 8.458 -10.664 690 3HG2 VAL 89 3HG2 VAL 89 -4.557 7.118 -9.845 691 H ARG 90 H ARG 90 -2.684 12.264 -11.764 692 HA ARG 90 HA ARG 90 0.198 11.985 -11.249 693 1HB ARG 90 2HB ARG 90 0.596 13.665 -13.024 694 2HB ARG 90 1HB ARG 90 -0.111 12.174 -13.630 695 1HG ARG 90 2HG ARG 90 -2.344 13.316 -13.566 696 2HG ARG 90 1HG ARG 90 -1.484 14.815 -13.204 697 1HD ARG 90 2HD ARG 90 -1.186 13.094 -15.660 698 2HD ARG 90 1HD ARG 90 -1.932 14.688 -15.572 699 HE ARG 90 HE ARG 90 0.813 14.639 -14.708 700 1HH1 ARG 90 1HH1 ARG 90 -1.324 14.929 -17.461 701 2HH1 ARG 90 2HH1 ARG 90 -0.153 15.757 -18.441 702 1HH2 ARG 90 1HH2 ARG 90 2.358 15.719 -16.009 703 2HH2 ARG 90 2HH2 ARG 90 1.918 16.196 -17.628 704 H ARG 91 H ARG 91 -1.891 12.787 -9.436 705 HA ARG 91 HA ARG 91 -1.121 15.594 -8.981 706 1HB ARG 91 2HB ARG 91 -3.588 14.116 -8.056 707 2HB ARG 91 1HB ARG 91 -3.152 15.734 -7.530 708 1HG ARG 91 2HG ARG 91 -3.293 16.504 -9.862 709 2HG ARG 91 1HG ARG 91 -3.813 14.887 -10.339 710 1HD ARG 91 2HD ARG 91 -5.762 15.067 -8.892 711 2HD ARG 91 1HD ARG 91 -5.236 16.664 -8.362 712 HE ARG 91 HE ARG 91 -5.623 16.365 -11.220 713 1HH1 ARG 91 1HH1 ARG 91 -7.066 17.255 -8.143 714 2HH1 ARG 91 2HH1 ARG 91 -8.290 18.260 -8.867 715 1HH2 ARG 91 1HH2 ARG 91 -7.232 17.695 -12.165 716 2HH2 ARG 91 2HH2 ARG 91 -8.375 18.513 -11.144 717 H PHE 92 H PHE 92 -2.500 13.169 -6.812 718 HA PHE 92 HA PHE 92 -0.120 13.430 -5.108 719 1HB PHE 92 2HB PHE 92 -3.019 13.331 -4.251 720 2HB PHE 92 1HB PHE 92 -1.660 13.177 -3.144 721 HD1 PHE 92 1HD PHE 92 -0.186 15.091 -2.720 722 HD2 PHE 92 2HD PHE 92 -3.668 15.447 -5.138 723 HE1 PHE 92 1HE PHE 92 -0.081 17.539 -2.500 724 HE2 PHE 92 2HE PHE 92 -3.568 17.897 -4.925 725 HZ PHE 92 HZ PHE 92 -1.774 18.944 -3.606 726 HA PRO 93 HA PRO 93 -0.022 9.040 -5.462 727 1HB PRO 93 2HB PRO 93 1.732 9.002 -3.128 728 2HB PRO 93 1HB PRO 93 2.127 8.671 -4.817 729 1HG PRO 93 2HG PRO 93 3.018 10.874 -3.531 730 2HG PRO 93 1HG PRO 93 2.641 10.872 -5.263 731 1HD PRO 93 2HD PRO 93 0.976 11.852 -2.967 732 2HD PRO 93 1HD PRO 93 1.286 12.623 -4.540 733 H ALA 94 H ALA 94 -0.697 7.157 -4.435 734 HA ALA 94 HA ALA 94 -1.595 7.167 -1.705 735 1HB ALA 94 1HB ALA 94 -3.495 8.264 -2.773 736 2HB ALA 94 2HB ALA 94 -3.939 6.653 -2.210 737 3HB ALA 94 3HB ALA 94 -3.630 6.935 -3.924 738 H THR 95 H THR 95 -3.121 4.953 -1.608 739 HA THR 95 HA THR 95 -1.363 2.876 -2.697 740 HB THR 95 HB THR 95 -3.626 2.493 -0.732 741 HG1 THR 95 1HG THR 95 -1.079 3.573 -0.365 742 1HG2 THR 95 1HG2 THR 95 -1.101 0.904 -1.241 743 2HG2 THR 95 2HG2 THR 95 -2.715 0.465 -1.799 744 3HG2 THR 95 3HG2 THR 95 -2.361 0.508 -0.072 745 H LEU 96 H LEU 96 -1.991 1.902 -4.547 746 HA LEU 96 HA LEU 96 -4.748 2.279 -5.407 747 1HB LEU 96 2HB LEU 96 -2.350 1.203 -6.886 748 2HB LEU 96 1HB LEU 96 -3.929 1.484 -7.588 749 HG LEU 96 HG LEU 96 -2.138 3.623 -6.436 750 1HD1 LEU 96 1HD1 LEU 96 -2.807 2.943 -9.294 751 2HD1 LEU 96 2HD1 LEU 96 -1.248 2.705 -8.504 752 3HD1 LEU 96 3HD1 LEU 96 -1.869 4.337 -8.758 753 1HD2 LEU 96 1HD2 LEU 96 -4.752 3.847 -7.927 754 2HD2 LEU 96 2HD2 LEU 96 -3.743 5.187 -7.380 755 3HD2 LEU 96 3HD2 LEU 96 -4.524 4.132 -6.201 756 H VAL 97 H VAL 97 -6.220 0.727 -5.492 757 HA VAL 97 HA VAL 97 -5.494 -1.894 -4.417 758 HB VAL 97 HB VAL 97 -8.214 -0.652 -4.868 759 1HG1 VAL 97 1HG1 VAL 97 -8.289 -3.100 -4.929 760 2HG1 VAL 97 2HG1 VAL 97 -9.081 -2.467 -3.486 761 3HG1 VAL 97 3HG1 VAL 97 -7.466 -3.163 -3.372 762 1HG2 VAL 97 1HG2 VAL 97 -6.938 0.540 -3.164 763 2HG2 VAL 97 2HG2 VAL 97 -6.610 -0.976 -2.329 764 3HG2 VAL 97 3HG2 VAL 97 -8.259 -0.364 -2.426 765 H PHE 98 H PHE 98 -5.068 -3.456 -5.823 766 HA PHE 98 HA PHE 98 -6.484 -3.472 -8.398 767 1HB PHE 98 2HB PHE 98 -3.789 -4.637 -7.663 768 2HB PHE 98 1HB PHE 98 -4.578 -4.855 -9.221 769 HD1 PHE 98 1HD PHE 98 -2.908 -2.457 -7.007 770 HD2 PHE 98 2HD PHE 98 -4.631 -3.096 -10.843 771 HE1 PHE 98 1HE PHE 98 -1.888 -0.366 -7.807 772 HE2 PHE 98 2HE PHE 98 -3.611 -1.007 -11.649 773 HZ PHE 98 HZ PHE 98 -2.248 0.361 -10.130 774 H THR 99 H THR 99 -7.852 -5.041 -8.734 775 HA THR 99 HA THR 99 -7.408 -7.689 -7.607 776 HB THR 99 HB THR 99 -10.058 -7.611 -7.190 777 HG1 THR 99 1HG THR 99 -9.103 -4.967 -6.838 778 1HG2 THR 99 1HG2 THR 99 -7.940 -6.713 -5.233 779 2HG2 THR 99 2HG2 THR 99 -8.452 -8.373 -5.546 780 3HG2 THR 99 3HG2 THR 99 -9.568 -7.233 -4.790 781 H ASP 100 H ASP 100 -8.236 -9.315 -8.861 782 HA ASP 100 HA ASP 100 -8.980 -10.387 -10.707 783 1HB ASP 100 2HB ASP 100 -10.677 -7.907 -10.973 784 2HB ASP 100 1HB ASP 100 -10.768 -9.249 -12.102 785 H GLY 101 H GLY 101 -6.821 -8.172 -10.692 786 1HA GLY 101 2HA GLY 101 -5.180 -7.712 -12.279 787 2HA GLY 101 1HA GLY 101 -6.228 -8.376 -13.523 788 H LYS 102 H LYS 102 -8.006 -6.217 -11.694 789 HA LYS 102 HA LYS 102 -7.324 -4.010 -13.530 790 1HB LYS 102 2HB LYS 102 -10.060 -4.669 -12.425 791 2HB LYS 102 1HB LYS 102 -9.674 -3.313 -13.471 792 1HG LYS 102 2HG LYS 102 -10.419 -4.703 -15.072 793 2HG LYS 102 1HG LYS 102 -8.769 -5.326 -14.995 794 1HD LYS 102 2HD LYS 102 -9.570 -6.998 -13.312 795 2HD LYS 102 1HD LYS 102 -11.215 -6.448 -13.632 796 1HE LYS 102 2HE LYS 102 -10.827 -8.403 -14.942 797 2HE LYS 102 1HE LYS 102 -10.859 -7.021 -16.036 798 1HZ LYS 102 1HZ LYS 102 -8.355 -8.194 -14.966 799 2HZ LYS 102 2HZ LYS 102 -8.511 -7.065 -16.224 800 3HZ LYS 102 3HZ LYS 102 -9.041 -8.660 -16.438 801 H LEU 103 H LEU 103 -7.495 -1.887 -12.734 802 HA LEU 103 HA LEU 103 -6.990 -1.570 -9.920 803 1HB LEU 103 2HB LEU 103 -5.825 -0.188 -11.585 804 2HB LEU 103 1HB LEU 103 -7.357 0.471 -12.123 805 HG LEU 103 HG LEU 103 -7.671 1.552 -9.946 806 1HD1 LEU 103 1HD1 LEU 103 -6.446 -0.056 -8.572 807 2HD1 LEU 103 2HD1 LEU 103 -5.884 1.595 -8.303 808 3HD1 LEU 103 3HD1 LEU 103 -4.930 0.489 -9.292 809 1HD2 LEU 103 1HD2 LEU 103 -6.539 2.741 -11.767 810 2HD2 LEU 103 2HD2 LEU 103 -4.985 2.157 -11.165 811 3HD2 LEU 103 3HD2 LEU 103 -5.960 3.248 -10.180 812 H ARG 104 H ARG 104 -8.557 -1.523 -8.472 813 HA ARG 104 HA ARG 104 -11.283 -0.991 -9.386 814 1HB ARG 104 2HB ARG 104 -10.153 -2.421 -6.995 815 2HB ARG 104 1HB ARG 104 -11.860 -2.014 -7.121 816 1HG ARG 104 2HG ARG 104 -10.490 -3.521 -9.308 817 2HG ARG 104 1HG ARG 104 -11.073 -4.352 -7.864 818 1HD ARG 104 2HD ARG 104 -13.317 -3.655 -8.287 819 2HD ARG 104 1HD ARG 104 -12.799 -2.572 -9.575 820 HE ARG 104 HE ARG 104 -13.022 -4.327 -10.988 821 1HH1 ARG 104 1HH1 ARG 104 -12.157 -5.691 -7.860 822 2HH1 ARG 104 2HH1 ARG 104 -12.302 -7.334 -8.417 823 1HH2 ARG 104 1HH2 ARG 104 -13.236 -6.508 -11.665 824 2HH2 ARG 104 2HH2 ARG 104 -12.909 -7.785 -10.529 825 H GLY 105 H GLY 105 -8.805 0.483 -7.538 826 1HA GLY 105 2HA GLY 105 -10.023 2.924 -7.328 827 2HA GLY 105 1HA GLY 105 -10.559 2.061 -5.896 828 H ALA 106 H ALA 106 -9.405 4.026 -5.013 829 HA ALA 106 HA ALA 106 -6.598 3.310 -4.499 830 1HB ALA 106 1HB ALA 106 -6.667 5.258 -5.991 831 2HB ALA 106 2HB ALA 106 -6.021 5.684 -4.406 832 3HB ALA 106 3HB ALA 106 -7.680 6.112 -4.826 833 H LEU 107 H LEU 107 -5.897 3.553 -2.406 834 HA LEU 107 HA LEU 107 -8.029 3.673 -0.432 835 1HB LEU 107 2HB LEU 107 -6.167 1.885 -0.592 836 2HB LEU 107 1HB LEU 107 -5.117 3.102 0.098 837 HG LEU 107 HG LEU 107 -6.011 1.432 1.734 838 1HD1 LEU 107 1HD1 LEU 107 -6.754 4.309 2.228 839 2HD1 LEU 107 2HD1 LEU 107 -5.191 3.552 2.540 840 3HD1 LEU 107 3HD1 LEU 107 -6.609 3.062 3.467 841 1HD2 LEU 107 1HD2 LEU 107 -8.323 1.630 2.476 842 2HD2 LEU 107 2HD2 LEU 107 -8.236 1.178 0.775 843 3HD2 LEU 107 3HD2 LEU 107 -8.628 2.836 1.225 844 H SER 108 H SER 108 -8.514 5.833 -0.220 845 HA SER 108 HA SER 108 -6.457 7.755 0.402 846 1HB SER 108 2HB SER 108 -9.479 7.969 0.548 847 2HB SER 108 1HB SER 108 -8.354 9.312 0.775 848 HG SER 108 HG SER 108 -9.375 8.594 -1.475 849 H GLY 109 H GLY 109 -5.446 6.879 2.199 850 1HA GLY 109 2HA GLY 109 -6.951 6.043 4.504 851 2HA GLY 109 1HA GLY 109 -5.201 6.114 4.365 852 H ILE 110 H ILE 110 -8.057 7.730 5.391 853 HA ILE 110 HA ILE 110 -6.866 10.231 6.034 854 HB ILE 110 HB ILE 110 -9.286 8.927 7.307 855 1HG1 ILE 110 2HG1 ILE 110 -9.545 9.147 4.877 856 2HG1 ILE 110 1HG1 ILE 110 -10.612 10.257 5.726 857 1HG2 ILE 110 1HG2 ILE 110 -9.930 11.212 7.922 858 2HG2 ILE 110 2HG2 ILE 110 -8.423 11.820 7.236 859 3HG2 ILE 110 3HG2 ILE 110 -8.386 10.759 8.644 860 1HD1 ILE 110 1HD1 ILE 110 -9.643 11.346 3.814 861 2HD1 ILE 110 2HD1 ILE 110 -8.018 10.949 4.370 862 3HD1 ILE 110 3HD1 ILE 110 -9.013 12.077 5.290 863 H HIS 111 H HIS 111 -8.174 7.929 8.389 864 HA HIS 111 HA HIS 111 -5.860 7.010 9.538 865 1HB HIS 111 2HB HIS 111 -5.758 9.611 10.104 866 2HB HIS 111 1HB HIS 111 -6.811 9.116 11.427 867 HD1 HIS 111 1HD HIS 111 -3.346 9.521 10.641 868 HD2 HIS 111 2HD HIS 111 -5.549 6.803 12.899 869 HE1 HIS 111 1HE HIS 111 -1.689 8.384 12.153 870 HE2 HIS 111 2HE HIS 111 -3.004 6.545 13.260 871 HA PRO 112 HA PRO 112 -9.610 6.312 12.580 872 1HB PRO 112 2HB PRO 112 -11.825 7.603 11.107 873 2HB PRO 112 1HB PRO 112 -11.463 7.625 12.836 874 1HG PRO 112 2HG PRO 112 -11.074 9.787 11.322 875 2HG PRO 112 1HG PRO 112 -9.955 9.368 12.635 876 1HD PRO 112 2HD PRO 112 -9.650 8.948 9.683 877 2HD PRO 112 1HD PRO 112 -8.452 9.504 10.871 878 H TRP 113 H TRP 113 -10.849 4.477 12.424 879 HA TRP 113 HA TRP 113 -10.920 3.255 9.772 880 1HB TRP 113 2HB TRP 113 -9.965 2.290 12.093 881 2HB TRP 113 1HB TRP 113 -11.623 1.712 12.212 882 HD1 TRP 113 HD TRP 113 -12.381 -0.211 10.507 883 HE1 TRP 113 1HE TRP 113 -11.037 -1.823 9.014 884 HE3 TRP 113 3HE TRP 113 -7.844 2.147 10.650 885 HZ2 TRP 113 2HZ TRP 113 -8.406 -2.056 8.025 886 HZ3 TRP 113 3HZ TRP 113 -5.966 1.165 9.402 887 HH2 TRP 113 HH TRP 113 -6.242 -0.894 8.116 888 H ALA 114 H ALA 114 -12.934 1.324 11.065 889 HA ALA 114 HA ALA 114 -15.156 0.946 11.164 890 1HB ALA 114 1HB ALA 114 -15.215 2.785 12.792 891 2HB ALA 114 2HB ALA 114 -16.688 2.697 11.824 892 3HB ALA 114 3HB ALA 114 -15.474 3.930 11.473 893 H GLU 115 H GLU 115 -15.070 4.073 9.443 894 HA GLU 115 HA GLU 115 -17.031 3.264 7.567 895 1HB GLU 115 2HB GLU 115 -15.047 5.541 7.424 896 2HB GLU 115 1HB GLU 115 -16.447 5.348 6.377 897 1HG GLU 115 2HG GLU 115 -16.510 5.739 9.359 898 2HG GLU 115 1HG GLU 115 -16.874 6.963 8.142 899 H LEU 116 H LEU 116 -13.570 3.018 7.640 900 HA LEU 116 HA LEU 116 -13.001 2.554 4.955 901 1HB LEU 116 2HB LEU 116 -11.748 1.845 7.529 902 2HB LEU 116 1HB LEU 116 -11.317 0.812 6.180 903 HG LEU 116 HG LEU 116 -11.025 3.817 6.171 904 1HD1 LEU 116 1HD1 LEU 116 -9.542 2.819 7.827 905 2HD1 LEU 116 2HD1 LEU 116 -8.628 3.393 6.432 906 3HD1 LEU 116 3HD1 LEU 116 -8.955 1.671 6.623 907 1HD2 LEU 116 1HD2 LEU 116 -11.280 2.913 3.951 908 2HD2 LEU 116 2HD2 LEU 116 -10.089 1.656 4.283 909 3HD2 LEU 116 3HD2 LEU 116 -9.588 3.347 4.202 910 H LEU 117 H LEU 117 -14.362 0.408 7.387 911 HA LEU 117 HA LEU 117 -14.165 -1.981 5.887 912 1HB LEU 117 2HB LEU 117 -14.644 -1.678 8.392 913 2HB LEU 117 1HB LEU 117 -16.301 -1.363 7.927 914 HG LEU 117 HG LEU 117 -15.787 -3.704 8.724 915 1HD1 LEU 117 1HD1 LEU 117 -17.175 -4.798 7.037 916 2HD1 LEU 117 2HD1 LEU 117 -16.947 -3.423 5.956 917 3HD1 LEU 117 3HD1 LEU 117 -17.817 -3.216 7.476 918 1HD2 LEU 117 1HD2 LEU 117 -14.753 -5.239 7.143 919 2HD2 LEU 117 2HD2 LEU 117 -13.631 -3.960 7.608 920 3HD2 LEU 117 3HD2 LEU 117 -14.435 -3.902 6.038 921 H THR 118 H THR 118 -16.707 0.457 6.238 922 HA THR 118 HA THR 118 -18.662 -0.808 4.681 923 HB THR 118 HB THR 118 -18.345 2.186 4.882 924 HG1 THR 118 1HG THR 118 -19.592 1.864 6.893 925 1HG2 THR 118 1HG2 THR 118 -20.795 2.137 4.927 926 2HG2 THR 118 2HG2 THR 118 -20.767 0.377 4.833 927 3HG2 THR 118 3HG2 THR 118 -20.176 1.342 3.480 928 H LEU 119 H LEU 119 -16.315 1.731 3.786 929 HA LEU 119 HA LEU 119 -17.078 1.918 1.093 930 1HB LEU 119 2HB LEU 119 -14.650 2.674 2.657 931 2HB LEU 119 1HB LEU 119 -14.616 2.797 0.912 932 HG LEU 119 HG LEU 119 -15.123 4.911 2.070 933 1HD1 LEU 119 1HD1 LEU 119 -16.986 5.561 0.620 934 2HD1 LEU 119 2HD1 LEU 119 -17.331 3.861 0.311 935 3HD1 LEU 119 3HD1 LEU 119 -15.812 4.567 -0.243 936 1HD2 LEU 119 1HD2 LEU 119 -16.417 4.098 3.939 937 2HD2 LEU 119 2HD2 LEU 119 -17.684 3.543 2.845 938 3HD2 LEU 119 3HD2 LEU 119 -17.359 5.268 3.012 939 H MET 120 H MET 120 -14.388 0.145 2.605 940 HA MET 120 HA MET 120 -13.399 -0.921 0.183 941 1HB MET 120 2HB MET 120 -13.068 -1.822 3.038 942 2HB MET 120 1HB MET 120 -12.271 -2.622 1.694 943 1HG MET 120 2HG MET 120 -11.932 0.282 2.418 944 2HG MET 120 1HG MET 120 -10.827 -1.012 2.876 945 1HE MET 120 1HE MET 120 -11.837 1.572 0.253 946 2HE MET 120 2HE MET 120 -12.674 0.199 -0.477 947 3HE MET 120 3HE MET 120 -11.271 0.906 -1.281 948 H ARG 121 H ARG 121 -15.931 -1.971 2.333 949 HA ARG 121 HA ARG 121 -16.222 -4.632 1.600 950 1HB ARG 121 2HB ARG 121 -17.490 -3.649 3.420 951 2HB ARG 121 1HB ARG 121 -18.333 -2.586 2.304 952 1HG ARG 121 2HG ARG 121 -19.417 -4.497 1.270 953 2HG ARG 121 1HG ARG 121 -18.544 -5.589 2.347 954 1HD ARG 121 2HD ARG 121 -19.681 -4.735 4.259 955 2HD ARG 121 1HD ARG 121 -20.375 -3.406 3.327 956 HE ARG 121 HE ARG 121 -21.665 -5.120 2.100 957 1HH1 ARG 121 1HH1 ARG 121 -20.416 -5.867 5.289 958 2HH1 ARG 121 2HH1 ARG 121 -21.589 -7.110 5.596 959 1HH2 ARG 121 1HH2 ARG 121 -23.215 -6.737 2.513 960 2HH2 ARG 121 2HH2 ARG 121 -23.177 -7.603 4.015 961 H SER 122 H SER 122 -17.236 -1.719 -0.091 962 HA SER 122 HA SER 122 -18.850 -2.993 -2.015 963 1HB SER 122 2HB SER 122 -17.406 -0.351 -2.217 964 2HB SER 122 1HB SER 122 -18.875 -0.841 -3.035 965 HG SER 122 HG SER 122 -19.427 -1.179 -0.542 966 H ILE 123 H ILE 123 -15.431 -2.385 -1.724 967 HA ILE 123 HA ILE 123 -14.951 -2.837 -4.561 968 HB ILE 123 HB ILE 123 -13.034 -2.185 -2.319 969 1HG1 ILE 123 2HG1 ILE 123 -14.583 -0.351 -2.794 970 2HG1 ILE 123 1HG1 ILE 123 -12.960 0.056 -3.335 971 1HG2 ILE 123 1HG2 ILE 123 -11.400 -1.720 -4.067 972 2HG2 ILE 123 2HG2 ILE 123 -12.551 -2.247 -5.293 973 3HG2 ILE 123 3HG2 ILE 123 -11.924 -3.402 -4.117 974 1HD1 ILE 123 1HD1 ILE 123 -14.633 0.775 -4.939 975 2HD1 ILE 123 2HD1 ILE 123 -15.216 -0.885 -5.088 976 3HD1 ILE 123 3HD1 ILE 123 -13.589 -0.470 -5.631 977 H VAL 124 H VAL 124 -14.023 -4.273 -1.444 978 HA VAL 124 HA VAL 124 -13.151 -6.665 -2.907 979 HB VAL 124 HB VAL 124 -11.797 -7.202 -0.825 980 1HG1 VAL 124 1HG1 VAL 124 -11.046 -4.771 -2.447 981 2HG1 VAL 124 2HG1 VAL 124 -10.790 -6.453 -2.909 982 3HG1 VAL 124 3HG1 VAL 124 -9.931 -5.778 -1.523 983 1HG2 VAL 124 1HG2 VAL 124 -12.846 -5.638 0.729 984 2HG2 VAL 124 2HG2 VAL 124 -12.298 -4.276 -0.247 985 3HG2 VAL 124 3HG2 VAL 124 -11.122 -5.295 0.582 986 H ASP 125 H ASP 125 -15.521 -6.980 -2.840 987 HA ASP 125 HA ASP 125 -16.723 -7.943 -0.429 988 1HB ASP 125 2HB ASP 125 -18.134 -7.094 -2.230 989 2HB ASP 125 1HB ASP 125 -17.492 -8.297 -3.342 990 H THR 126 H THR 126 -15.452 -9.452 -3.359 991 HA THR 126 HA THR 126 -14.682 -11.516 -3.856 992 HB THR 126 HB THR 126 -13.849 -11.531 -0.950 993 HG1 THR 126 1HG THR 126 -12.335 -10.177 -1.557 994 1HG2 THR 126 1HG2 THR 126 -12.117 -13.101 -1.662 995 2HG2 THR 126 2HG2 THR 126 -12.748 -13.069 -3.310 996 3HG2 THR 126 3HG2 THR 126 -13.721 -13.752 -2.008 997 HA PRO 127 HA PRO 127 -18.479 -13.751 -2.665 998 1HB PRO 127 2HB PRO 127 -17.632 -15.232 -5.095 999 2HB PRO 127 1HB PRO 127 -19.210 -14.557 -4.678 1000 1HG PRO 127 2HG PRO 127 -17.658 -13.393 -6.509 1001 2HG PRO 127 1HG PRO 127 -18.636 -12.429 -5.387 1002 1HD PRO 127 2HD PRO 127 -15.701 -12.999 -5.342 1003 2HD PRO 127 1HD PRO 127 -16.568 -11.505 -4.931 1004 H ALA 128 H ALA 128 -18.596 -15.525 -1.429 1005 HA ALA 128 HA ALA 128 -16.186 -16.891 -0.713 1006 1HB ALA 128 1HB ALA 128 -17.883 -16.353 0.950 1007 2HB ALA 128 2HB ALA 128 -17.595 -18.093 0.891 1008 3HB ALA 128 3HB ALA 128 -19.033 -17.410 0.132 1009 H ALA 129 H ALA 129 -17.477 -17.289 -3.474 1010 HA ALA 129 HA ALA 129 -17.359 -20.229 -3.440 1011 1HB ALA 129 1HB ALA 129 -19.086 -18.519 -5.230 1012 2HB ALA 129 2HB ALA 129 -19.648 -19.480 -3.861 1013 3HB ALA 129 3HB ALA 129 -18.964 -20.277 -5.275 1014 H GLN 130 H GLN 130 -15.582 -17.701 -4.135 1015 HA GLN 130 HA GLN 130 -14.842 -18.329 -6.871 1016 1HB GLN 130 2HB GLN 130 -14.866 -16.002 -5.445 1017 2HB GLN 130 1HB GLN 130 -13.171 -16.453 -5.316 1018 1HG GLN 130 2HG GLN 130 -14.549 -16.435 -7.971 1019 2HG GLN 130 1HG GLN 130 -13.936 -14.943 -7.263 1020 1HE2 GLN 130 1HE2 GLN 130 -13.149 -16.509 -9.680 1021 2HE2 GLN 130 2HE2 GLN 130 -11.445 -16.778 -9.491 1022 H GLU 131 H GLU 131 -12.603 -18.839 -7.427 1023 HA GLU 131 HA GLU 131 -10.815 -20.204 -7.369 1024 1HB GLU 131 2HB GLU 131 -10.820 -19.313 -4.493 1025 2HB GLU 131 1HB GLU 131 -9.597 -20.403 -5.131 1026 1HG GLU 131 2HG GLU 131 -10.173 -17.605 -6.083 1027 2HG GLU 131 1HG GLU 131 -8.785 -18.129 -5.130 1028 H THR 132 H THR 132 -9.854 -22.118 -5.716 1029 HA THR 132 HA THR 132 -12.150 -23.912 -5.350 1030 HB THR 132 HB THR 132 -9.514 -24.723 -6.598 1031 HG1 THR 132 1HG THR 132 -12.078 -24.257 -7.782 1032 1HG2 THR 132 1HG2 THR 132 -10.692 -26.517 -5.380 1033 2HG2 THR 132 2HG2 THR 132 -10.662 -26.808 -7.119 1034 3HG2 THR 132 3HG2 THR 132 -12.133 -26.213 -6.349 1035 H VAL 133 H VAL 133 -12.170 -23.893 -3.163 1036 HA VAL 133 HA VAL 133 -11.696 -24.591 -1.065 1037 HB VAL 133 HB VAL 133 -9.404 -26.188 -2.225 1038 1HG1 VAL 133 1HG1 VAL 133 -9.451 -26.139 0.197 1039 2HG1 VAL 133 2HG1 VAL 133 -9.905 -27.739 -0.388 1040 3HG1 VAL 133 3HG1 VAL 133 -11.145 -26.629 0.198 1041 1HG2 VAL 133 1HG2 VAL 133 -12.310 -26.992 -2.055 1042 2HG2 VAL 133 2HG2 VAL 133 -10.974 -28.024 -2.571 1043 3HG2 VAL 133 3HG2 VAL 133 -11.427 -26.618 -3.538 1044 H GLN 134 H GLN 134 -10.057 -24.477 0.693 1045 HA GLN 134 HA GLN 134 -8.278 -23.658 1.826 1046 1HB GLN 134 2HB GLN 134 -6.979 -24.493 -0.180 1047 2HB GLN 134 1HB GLN 134 -7.063 -22.859 -0.820 1048 1HG GLN 134 2HG GLN 134 -5.798 -22.006 1.030 1049 2HG GLN 134 1HG GLN 134 -5.840 -23.577 1.832 1050 1HE2 GLN 134 1HE2 GLN 134 -3.614 -23.708 1.908 1051 2HE2 GLN 134 2HE2 GLN 134 -2.654 -24.041 0.509 Start of MODEL 13 1 1H MET 1 1HT MET 1 18.305 1.345 12.436 2 2H MET 1 2HT MET 1 16.779 0.659 12.706 3 3H MET 1 3HT MET 1 17.580 1.466 13.965 4 HA MET 1 HA MET 1 16.608 2.729 11.463 5 1HB MET 1 2HB MET 1 15.566 2.910 14.302 6 2HB MET 1 1HB MET 1 14.980 3.860 12.944 7 1HG MET 1 2HG MET 1 14.238 1.813 11.845 8 2HG MET 1 1HG MET 1 14.810 0.872 13.221 9 1HE MET 1 1HE MET 1 14.002 2.921 15.617 10 2HE MET 1 2HE MET 1 13.781 1.173 15.719 11 3HE MET 1 3HE MET 1 12.436 2.253 16.080 12 H ALA 2 H ALA 2 17.235 4.826 11.170 13 HA ALA 2 HA ALA 2 19.008 5.991 13.228 14 1HB ALA 2 1HB ALA 2 19.337 6.147 10.236 15 2HB ALA 2 2HB ALA 2 20.291 5.133 11.319 16 3HB ALA 2 3HB ALA 2 20.393 6.890 11.439 17 H ASN 3 H ASN 3 19.038 8.286 13.336 18 HA ASN 3 HA ASN 3 16.507 9.499 12.573 19 1HB ASN 3 2HB ASN 3 17.606 9.815 14.852 20 2HB ASN 3 1HB ASN 3 18.806 10.812 14.041 21 1HD2 ASN 3 1HD2 ASN 3 16.957 11.536 16.115 22 2HD2 ASN 3 2HD2 ASN 3 15.992 12.829 15.495 23 H ASP 4 H ASP 4 19.911 10.544 12.367 24 HA ASP 4 HA ASP 4 19.510 12.240 10.126 25 1HB ASP 4 2HB ASP 4 21.438 12.483 11.648 26 2HB ASP 4 1HB ASP 4 22.051 10.919 11.118 27 H THR 5 H THR 5 18.834 11.488 8.233 28 HA THR 5 HA THR 5 19.781 8.843 7.376 29 HB THR 5 HB THR 5 17.036 10.019 6.891 30 HG1 THR 5 1HG THR 5 17.452 9.322 9.086 31 1HG2 THR 5 1HG2 THR 5 16.465 7.817 6.016 32 2HG2 THR 5 2HG2 THR 5 18.111 7.256 6.305 33 3HG2 THR 5 3HG2 THR 5 17.806 8.506 5.101 34 HA PRO 6 HA PRO 6 20.760 11.362 3.708 35 1HB PRO 6 2HB PRO 6 23.339 10.192 3.602 36 2HB PRO 6 1HB PRO 6 22.942 11.839 4.089 37 1HG PRO 6 2HG PRO 6 23.974 9.840 5.748 38 2HG PRO 6 1HG PRO 6 23.236 11.359 6.279 39 1HD PRO 6 2HD PRO 6 22.069 8.619 6.161 40 2HD PRO 6 1HD PRO 6 21.750 9.941 7.305 41 H PHE 7 H PHE 7 21.120 8.062 4.682 42 HA PHE 7 HA PHE 7 20.570 7.156 1.935 43 1HB PHE 7 2HB PHE 7 22.253 5.629 3.938 44 2HB PHE 7 1HB PHE 7 22.003 5.244 2.240 45 HD1 PHE 7 1HD PHE 7 22.960 6.836 0.506 46 HD2 PHE 7 2HD PHE 7 24.039 6.955 4.619 47 HE1 PHE 7 1HE PHE 7 24.996 8.094 -0.068 48 HE2 PHE 7 2HE PHE 7 26.074 8.215 4.053 49 HZ PHE 7 HZ PHE 7 26.556 8.789 1.709 50 H SER 8 H SER 8 18.960 5.583 1.813 51 HA SER 8 HA SER 8 17.321 5.396 4.178 52 1HB SER 8 2HB SER 8 16.381 5.807 1.884 53 2HB SER 8 1HB SER 8 16.811 4.149 1.466 54 HG SER 8 HG SER 8 14.578 4.743 2.367 55 H ALA 9 H ALA 9 18.409 4.100 5.609 56 HA ALA 9 HA ALA 9 19.277 1.447 4.878 57 1HB ALA 9 1HB ALA 9 20.511 2.682 6.566 58 2HB ALA 9 2HB ALA 9 19.819 1.221 7.272 59 3HB ALA 9 3HB ALA 9 19.068 2.788 7.575 60 H LEU 10 H LEU 10 16.515 2.949 6.392 61 HA LEU 10 HA LEU 10 15.334 0.646 7.494 62 1HB LEU 10 2HB LEU 10 13.239 1.985 7.488 63 2HB LEU 10 1HB LEU 10 14.607 2.782 8.238 64 HG LEU 10 HG LEU 10 14.856 3.913 5.869 65 1HD1 LEU 10 1HD1 LEU 10 11.916 3.253 5.919 66 2HD1 LEU 10 2HD1 LEU 10 13.096 2.591 4.788 67 3HD1 LEU 10 3HD1 LEU 10 12.729 4.316 4.771 68 1HD2 LEU 10 1HD2 LEU 10 14.449 5.108 7.940 69 2HD2 LEU 10 2HD2 LEU 10 12.739 4.685 7.870 70 3HD2 LEU 10 3HD2 LEU 10 13.435 5.754 6.650 71 H TRP 11 H TRP 11 15.395 1.894 4.263 72 HA TRP 11 HA TRP 11 13.165 0.528 3.212 73 1HB TRP 11 2HB TRP 11 14.552 2.437 2.174 74 2HB TRP 11 1HB TRP 11 15.661 1.179 1.649 75 HD1 TRP 11 HD TRP 11 15.069 -0.073 -0.546 76 HE1 TRP 11 1HE TRP 11 13.092 0.016 -2.194 77 HE3 TRP 11 3HE TRP 11 11.858 2.834 2.174 78 HZ2 TRP 11 2HZ TRP 11 10.526 1.158 -2.329 79 HZ3 TRP 11 3HZ TRP 11 9.659 3.381 1.208 80 HH2 TRP 11 HH TRP 11 9.013 2.557 -0.999 81 H GLN 12 H GLN 12 16.466 -0.403 3.844 82 HA GLN 12 HA GLN 12 16.544 -2.814 2.386 83 1HB GLN 12 2HB GLN 12 18.555 -1.737 3.258 84 2HB GLN 12 1HB GLN 12 18.004 -1.998 4.906 85 1HG GLN 12 2HG GLN 12 18.139 -4.435 4.515 86 2HG GLN 12 1HG GLN 12 18.808 -4.104 2.914 87 1HE2 GLN 12 1HE2 GLN 12 20.871 -3.271 2.735 88 2HE2 GLN 12 2HE2 GLN 12 22.003 -3.296 4.048 89 H ARG 13 H ARG 13 15.384 -1.989 5.589 90 HA ARG 13 HA ARG 13 14.951 -4.641 6.489 91 1HB ARG 13 2HB ARG 13 13.882 -1.966 7.350 92 2HB ARG 13 1HB ARG 13 13.312 -3.456 8.089 93 1HG ARG 13 2HG ARG 13 16.177 -2.531 8.018 94 2HG ARG 13 1HG ARG 13 15.084 -2.379 9.396 95 1HD ARG 13 2HD ARG 13 16.098 -4.916 8.125 96 2HD ARG 13 1HD ARG 13 16.449 -4.314 9.745 97 HE ARG 13 HE ARG 13 13.767 -4.563 9.774 98 1HH1 ARG 13 1HH1 ARG 13 16.368 -6.765 8.979 99 2HH1 ARG 13 2HH1 ARG 13 15.424 -8.196 9.289 100 1HH2 ARG 13 1HH2 ARG 13 12.535 -6.435 10.203 101 2HH2 ARG 13 2HH2 ARG 13 13.240 -8.008 9.992 102 H LEU 14 H LEU 14 12.947 -2.283 4.808 103 HA LEU 14 HA LEU 14 10.545 -3.780 4.855 104 1HB LEU 14 2HB LEU 14 11.483 -1.694 2.881 105 2HB LEU 14 1HB LEU 14 9.841 -2.296 3.004 106 HG LEU 14 HG LEU 14 11.299 -0.793 5.181 107 1HD1 LEU 14 1HD1 LEU 14 9.158 0.116 3.264 108 2HD1 LEU 14 2HD1 LEU 14 10.839 0.653 3.293 109 3HD1 LEU 14 3HD1 LEU 14 9.765 1.042 4.636 110 1HD2 LEU 14 1HD2 LEU 14 9.643 -2.328 6.074 111 2HD2 LEU 14 2HD2 LEU 14 8.430 -1.695 4.961 112 3HD2 LEU 14 3HD2 LEU 14 9.084 -0.663 6.233 113 H LEU 15 H LEU 15 13.215 -3.562 2.563 114 HA LEU 15 HA LEU 15 12.133 -5.279 0.604 115 1HB LEU 15 2HB LEU 15 14.772 -4.094 1.216 116 2HB LEU 15 1HB LEU 15 14.790 -5.544 0.232 117 HG LEU 15 HG LEU 15 14.788 -3.353 -1.017 118 1HD1 LEU 15 1HD1 LEU 15 14.207 -5.476 -2.070 119 2HD1 LEU 15 2HD1 LEU 15 13.235 -4.157 -2.721 120 3HD1 LEU 15 3HD1 LEU 15 12.533 -5.278 -1.556 121 1HD2 LEU 15 1HD2 LEU 15 13.186 -2.150 0.364 122 2HD2 LEU 15 2HD2 LEU 15 11.922 -3.293 -0.088 123 3HD2 LEU 15 3HD2 LEU 15 12.631 -2.237 -1.309 124 H THR 16 H THR 16 13.794 -5.891 3.601 125 HA THR 16 HA THR 16 14.602 -8.544 3.091 126 HB THR 16 HB THR 16 13.859 -7.263 5.732 127 HG1 THR 16 1HG THR 16 15.657 -6.343 4.438 128 1HG2 THR 16 1HG2 THR 16 15.179 -9.036 6.760 129 2HG2 THR 16 2HG2 THR 16 15.494 -9.745 5.177 130 3HG2 THR 16 3HG2 THR 16 13.854 -9.729 5.827 131 H ARG 17 H ARG 17 11.663 -7.240 4.627 132 HA ARG 17 HA ARG 17 10.030 -9.213 3.421 133 1HB ARG 17 2HB ARG 17 9.187 -10.235 5.560 134 2HB ARG 17 1HB ARG 17 10.800 -10.737 5.075 135 1HG ARG 17 2HG ARG 17 11.797 -9.289 6.723 136 2HG ARG 17 1HG ARG 17 10.216 -8.626 7.144 137 1HD ARG 17 2HD ARG 17 10.994 -11.526 7.434 138 2HD ARG 17 1HD ARG 17 11.044 -10.345 8.743 139 HE ARG 17 HE ARG 17 8.504 -10.124 7.943 140 1HH1 ARG 17 1HH1 ARG 17 10.447 -12.989 8.530 141 2HH1 ARG 17 2HH1 ARG 17 9.102 -13.928 9.106 142 1HH2 ARG 17 1HH2 ARG 17 6.750 -11.373 8.718 143 2HH2 ARG 17 2HH2 ARG 17 7.013 -13.023 9.195 144 H GLY 18 H GLY 18 8.492 -7.852 2.819 145 1HA GLY 18 2HA GLY 18 6.446 -6.986 4.333 146 2HA GLY 18 1HA GLY 18 7.627 -5.705 4.558 147 H TRP 19 H TRP 19 8.081 -4.313 2.879 148 HA TRP 19 HA TRP 19 5.938 -4.123 0.922 149 1HB TRP 19 2HB TRP 19 8.104 -2.210 1.801 150 2HB TRP 19 1HB TRP 19 6.964 -1.850 0.508 151 HD1 TRP 19 HD TRP 19 5.102 -3.695 3.070 152 HE1 TRP 19 1HE TRP 19 3.784 -2.084 4.572 153 HE3 TRP 19 3HE TRP 19 7.373 0.686 1.752 154 HZ2 TRP 19 2HZ TRP 19 3.706 0.686 5.125 155 HZ3 TRP 19 3HZ TRP 19 6.619 2.773 2.808 156 HH2 TRP 19 HH TRP 19 4.823 2.771 4.451 157 H GLN 20 H GLN 20 6.150 -4.452 -1.204 158 HA GLN 20 HA GLN 20 8.813 -4.939 -2.299 159 1HB GLN 20 2HB GLN 20 6.028 -5.507 -3.293 160 2HB GLN 20 1HB GLN 20 7.413 -5.581 -4.361 161 1HG GLN 20 2HG GLN 20 7.050 -7.786 -3.691 162 2HG GLN 20 1HG GLN 20 8.411 -7.236 -2.718 163 1HE2 GLN 20 1HE2 GLN 20 8.145 -6.951 -0.520 164 2HE2 GLN 20 2HE2 GLN 20 6.763 -7.537 0.340 165 HA PRO 21 HA PRO 21 8.526 -0.790 -4.015 166 1HB PRO 21 2HB PRO 21 11.031 -0.682 -4.996 167 2HB PRO 21 1HB PRO 21 10.693 -0.526 -3.270 168 1HG PRO 21 2HG PRO 21 11.669 -2.907 -4.797 169 2HG PRO 21 1HG PRO 21 12.181 -2.303 -3.209 170 1HD PRO 21 2HD PRO 21 10.426 -4.383 -3.560 171 2HD PRO 21 1HD PRO 21 10.459 -3.344 -2.122 172 H VAL 22 H VAL 22 7.233 -0.756 -5.755 173 HA VAL 22 HA VAL 22 7.938 -2.424 -8.059 174 HB VAL 22 HB VAL 22 5.599 -1.897 -8.853 175 1HG1 VAL 22 1HG1 VAL 22 4.558 -3.529 -7.354 176 2HG1 VAL 22 2HG1 VAL 22 5.896 -3.341 -6.220 177 3HG1 VAL 22 3HG1 VAL 22 6.185 -4.024 -7.820 178 1HG2 VAL 22 1HG2 VAL 22 5.355 -0.792 -6.053 179 2HG2 VAL 22 2HG2 VAL 22 3.997 -1.141 -7.123 180 3HG2 VAL 22 3HG2 VAL 22 5.168 0.102 -7.563 181 H GLU 23 H GLU 23 6.721 -1.305 -10.101 182 HA GLU 23 HA GLU 23 7.781 1.396 -10.444 183 1HB GLU 23 2HB GLU 23 8.647 -0.987 -12.097 184 2HB GLU 23 1HB GLU 23 8.915 0.684 -12.566 185 1HG GLU 23 2HG GLU 23 10.318 1.025 -10.609 186 2HG GLU 23 1HG GLU 23 10.020 -0.638 -10.098 187 H ALA 24 H ALA 24 7.285 2.094 -12.809 188 HA ALA 24 HA ALA 24 4.505 1.418 -13.327 189 1HB ALA 24 1HB ALA 24 6.266 3.477 -14.656 190 2HB ALA 24 2HB ALA 24 5.205 3.780 -13.281 191 3HB ALA 24 3HB ALA 24 4.519 3.316 -14.838 192 H SER 25 H SER 25 7.662 0.885 -14.633 193 HA SER 25 HA SER 25 6.903 0.366 -17.311 194 1HB SER 25 2HB SER 25 9.417 -0.578 -15.947 195 2HB SER 25 1HB SER 25 9.187 -0.176 -17.650 196 HG SER 25 HG SER 25 9.685 1.796 -17.160 197 H THR 26 H THR 26 6.296 -1.433 -14.601 198 HA THR 26 HA THR 26 5.752 -3.779 -16.193 199 HB THR 26 HB THR 26 8.098 -4.143 -15.554 200 HG1 THR 26 1HG THR 26 6.138 -5.823 -14.348 201 1HG2 THR 26 1HG2 THR 26 8.715 -4.506 -13.213 202 2HG2 THR 26 2HG2 THR 26 7.086 -4.057 -12.708 203 3HG2 THR 26 3HG2 THR 26 8.135 -2.860 -13.470 204 H VAL 27 H VAL 27 4.442 -1.707 -14.335 205 HA VAL 27 HA VAL 27 3.612 -3.109 -12.000 206 HB VAL 27 HB VAL 27 3.586 -0.677 -12.029 207 1HG1 VAL 27 1HG1 VAL 27 3.005 -0.318 -14.376 208 2HG1 VAL 27 2HG1 VAL 27 1.947 0.594 -13.300 209 3HG1 VAL 27 3HG1 VAL 27 1.365 -0.889 -14.057 210 1HG2 VAL 27 1HG2 VAL 27 2.065 -1.821 -10.506 211 2HG2 VAL 27 2HG2 VAL 27 0.811 -1.825 -11.746 212 3HG2 VAL 27 3HG2 VAL 27 1.370 -0.299 -11.060 213 H ASP 28 H ASP 28 2.222 -2.666 -15.215 214 HA ASP 28 HA ASP 28 -0.267 -3.911 -14.571 215 1HB ASP 28 2HB ASP 28 -0.566 -3.942 -17.087 216 2HB ASP 28 1HB ASP 28 -0.315 -2.359 -16.363 217 H ASP 29 H ASP 29 2.834 -5.031 -15.657 218 HA ASP 29 HA ASP 29 1.889 -7.629 -16.448 219 1HB ASP 29 2HB ASP 29 4.005 -6.535 -17.318 220 2HB ASP 29 1HB ASP 29 4.734 -6.885 -15.752 221 H TRP 30 H TRP 30 3.323 -6.179 -13.582 222 HA TRP 30 HA TRP 30 3.691 -8.563 -12.110 223 1HB TRP 30 2HB TRP 30 4.788 -6.421 -11.538 224 2HB TRP 30 1HB TRP 30 3.226 -5.755 -11.075 225 HD1 TRP 30 HD TRP 30 5.543 -8.684 -10.006 226 HE1 TRP 30 1HE TRP 30 5.282 -9.012 -7.466 227 HE3 TRP 30 3HE TRP 30 1.922 -5.192 -9.098 228 HZ2 TRP 30 2HZ TRP 30 3.750 -7.935 -5.360 229 HZ3 TRP 30 3HZ TRP 30 1.112 -4.906 -6.794 230 HH2 TRP 30 HH TRP 30 2.009 -6.253 -4.965 231 H ILE 31 H ILE 31 1.075 -6.146 -12.071 232 HA ILE 31 HA ILE 31 -0.592 -7.452 -10.236 233 HB ILE 31 HB ILE 31 -1.248 -5.568 -12.500 234 1HG1 ILE 31 2HG1 ILE 31 0.061 -4.607 -10.689 235 2HG1 ILE 31 1HG1 ILE 31 -1.575 -3.956 -10.659 236 1HG2 ILE 31 1HG2 ILE 31 -3.112 -6.587 -10.361 237 2HG2 ILE 31 2HG2 ILE 31 -3.222 -6.924 -12.089 238 3HG2 ILE 31 3HG2 ILE 31 -3.467 -5.282 -11.491 239 1HD1 ILE 31 1HD1 ILE 31 -2.144 -5.496 -8.846 240 2HD1 ILE 31 2HD1 ILE 31 -0.792 -4.447 -8.423 241 3HD1 ILE 31 3HD1 ILE 31 -0.496 -6.125 -8.874 242 H LYS 32 H LYS 32 -0.243 -7.806 -13.716 243 HA LYS 32 HA LYS 32 -2.403 -9.528 -14.171 244 1HB LYS 32 2HB LYS 32 -1.272 -8.453 -16.002 245 2HB LYS 32 1HB LYS 32 0.247 -9.221 -15.580 246 1HG LYS 32 2HG LYS 32 -1.978 -11.050 -16.196 247 2HG LYS 32 1HG LYS 32 -1.380 -10.074 -17.540 248 1HD LYS 32 2HD LYS 32 0.304 -11.844 -15.760 249 2HD LYS 32 1HD LYS 32 -0.226 -12.236 -17.399 250 1HE LYS 32 2HE LYS 32 1.014 -10.322 -18.264 251 2HE LYS 32 1HE LYS 32 1.526 -9.900 -16.630 252 1HZ LYS 32 1HZ LYS 32 2.647 -12.073 -16.513 253 2HZ LYS 32 2HZ LYS 32 3.275 -11.076 -17.733 254 3HZ LYS 32 3HZ LYS 32 2.237 -12.359 -18.131 255 H ARG 33 H ARG 33 0.830 -10.135 -12.921 256 HA ARG 33 HA ARG 33 0.599 -13.004 -13.176 257 1HB ARG 33 2HB ARG 33 2.754 -11.590 -13.187 258 2HB ARG 33 1HB ARG 33 2.590 -11.575 -11.442 259 1HG ARG 33 2HG ARG 33 2.565 -14.045 -11.456 260 2HG ARG 33 1HG ARG 33 2.878 -14.003 -13.191 261 1HD ARG 33 2HD ARG 33 4.955 -12.738 -12.738 262 2HD ARG 33 1HD ARG 33 4.655 -12.924 -11.009 263 HE ARG 33 HE ARG 33 5.058 -15.210 -12.840 264 1HH1 ARG 33 1HH1 ARG 33 5.646 -13.579 -9.798 265 2HH1 ARG 33 2HH1 ARG 33 6.579 -14.877 -9.128 266 1HH2 ARG 33 1HH2 ARG 33 6.252 -16.948 -11.944 267 2HH2 ARG 33 2HH2 ARG 33 6.906 -16.803 -10.338 268 H VAL 34 H VAL 34 0.524 -10.657 -10.529 269 HA VAL 34 HA VAL 34 0.131 -12.732 -8.560 270 HB VAL 34 HB VAL 34 0.008 -10.927 -6.906 271 1HG1 VAL 34 1HG1 VAL 34 2.174 -11.799 -7.521 272 2HG1 VAL 34 2HG1 VAL 34 2.291 -10.064 -7.220 273 3HG1 VAL 34 3HG1 VAL 34 2.273 -10.673 -8.875 274 1HG2 VAL 34 1HG2 VAL 34 -1.134 -9.224 -8.201 275 2HG2 VAL 34 2HG2 VAL 34 0.257 -9.080 -9.275 276 3HG2 VAL 34 3HG2 VAL 34 0.395 -8.599 -7.584 277 H GLY 35 H GLY 35 -1.910 -10.371 -10.165 278 1HA GLY 35 2HA GLY 35 -4.200 -10.602 -10.548 279 2HA GLY 35 1HA GLY 35 -4.248 -11.890 -9.357 280 H ASP 36 H ASP 36 -3.300 -10.808 -7.141 281 HA ASP 36 HA ASP 36 -5.116 -8.556 -6.596 282 1HB ASP 36 2HB ASP 36 -4.651 -11.082 -5.026 283 2HB ASP 36 1HB ASP 36 -5.288 -9.636 -4.259 284 H GLY 37 H GLY 37 -4.202 -6.836 -5.683 285 1HA GLY 37 2HA GLY 37 -2.279 -6.846 -3.661 286 2HA GLY 37 1HA GLY 37 -1.417 -6.700 -5.187 287 H VAL 38 H VAL 38 -1.021 -4.645 -3.621 288 HA VAL 38 HA VAL 38 -2.690 -2.529 -4.796 289 HB VAL 38 HB VAL 38 -2.470 -1.233 -2.652 290 1HG1 VAL 38 1HG1 VAL 38 -4.564 -2.302 -3.236 291 2HG1 VAL 38 2HG1 VAL 38 -4.288 -2.417 -1.497 292 3HG1 VAL 38 3HG1 VAL 38 -4.012 -3.821 -2.530 293 1HG2 VAL 38 1HG2 VAL 38 -0.625 -2.467 -1.648 294 2HG2 VAL 38 2HG2 VAL 38 -1.634 -3.911 -1.537 295 3HG2 VAL 38 3HG2 VAL 38 -2.034 -2.481 -0.586 296 H ILE 39 H ILE 39 -1.620 -0.698 -5.415 297 HA ILE 39 HA ILE 39 1.293 -0.644 -4.959 298 HB ILE 39 HB ILE 39 -0.318 0.440 -7.276 299 1HG1 ILE 39 2HG1 ILE 39 1.423 -0.825 -8.607 300 2HG1 ILE 39 1HG1 ILE 39 1.980 -1.528 -7.095 301 1HG2 ILE 39 1HG2 ILE 39 2.562 1.021 -6.619 302 2HG2 ILE 39 2HG2 ILE 39 1.230 2.176 -6.640 303 3HG2 ILE 39 3HG2 ILE 39 1.765 1.420 -8.141 304 1HD1 ILE 39 1HD1 ILE 39 -0.749 -1.833 -8.336 305 2HD1 ILE 39 2HD1 ILE 39 -0.267 -2.496 -6.772 306 3HD1 ILE 39 3HD1 ILE 39 0.519 -3.058 -8.248 307 H LEU 40 H LEU 40 1.934 0.812 -3.565 308 HA LEU 40 HA LEU 40 0.283 3.153 -2.968 309 1HB LEU 40 2HB LEU 40 1.367 1.557 -1.235 310 2HB LEU 40 1HB LEU 40 2.869 2.360 -1.630 311 HG LEU 40 HG LEU 40 0.429 3.746 -0.504 312 1HD1 LEU 40 1HD1 LEU 40 1.386 2.167 1.087 313 2HD1 LEU 40 2HD1 LEU 40 1.691 3.831 1.583 314 3HD1 LEU 40 3HD1 LEU 40 2.981 2.878 0.848 315 1HD2 LEU 40 1HD2 LEU 40 1.880 5.232 -1.805 316 2HD2 LEU 40 2HD2 LEU 40 3.264 4.720 -0.839 317 3HD2 LEU 40 3HD2 LEU 40 1.941 5.605 -0.081 318 H LEU 41 H LEU 41 0.718 5.033 -3.996 319 HA LEU 41 HA LEU 41 3.277 5.322 -5.370 320 1HB LEU 41 2HB LEU 41 0.682 6.831 -5.527 321 2HB LEU 41 1HB LEU 41 2.145 7.436 -6.272 322 HG LEU 41 HG LEU 41 2.235 5.275 -7.593 323 1HD1 LEU 41 1HD1 LEU 41 -0.584 5.015 -6.563 324 2HD1 LEU 41 2HD1 LEU 41 0.762 3.935 -6.200 325 3HD1 LEU 41 3HD1 LEU 41 0.141 4.047 -7.847 326 1HD2 LEU 41 1HD2 LEU 41 1.518 7.382 -8.564 327 2HD2 LEU 41 2HD2 LEU 41 -0.124 7.109 -7.984 328 3HD2 LEU 41 3HD2 LEU 41 0.567 6.044 -9.209 329 H SER 42 H SER 42 4.800 6.783 -4.890 330 HA SER 42 HA SER 42 5.834 8.650 -4.103 331 1HB SER 42 2HB SER 42 3.265 9.324 -2.660 332 2HB SER 42 1HB SER 42 4.642 10.395 -2.913 333 HG SER 42 HG SER 42 2.566 9.921 -4.531 334 H SER 43 H SER 43 7.164 9.022 -2.391 335 HA SER 43 HA SER 43 6.540 7.817 0.193 336 1HB SER 43 2HB SER 43 9.107 7.286 -1.329 337 2HB SER 43 1HB SER 43 8.761 6.754 0.316 338 HG SER 43 HG SER 43 6.838 6.043 -1.515 339 H ASP 44 H ASP 44 6.574 9.557 1.446 340 HA ASP 44 HA ASP 44 7.238 11.398 2.573 341 1HB ASP 44 2HB ASP 44 9.136 9.991 3.203 342 2HB ASP 44 1HB ASP 44 10.010 10.505 1.764 343 HA PRO 45 HA PRO 45 7.724 14.158 -0.991 344 1HB PRO 45 2HB PRO 45 5.446 15.517 -0.699 345 2HB PRO 45 1HB PRO 45 5.457 13.891 -1.393 346 1HG PRO 45 2HG PRO 45 4.633 14.793 1.316 347 2HG PRO 45 1HG PRO 45 3.989 13.474 0.327 348 1HD PRO 45 2HD PRO 45 5.842 13.245 2.447 349 2HD PRO 45 1HD PRO 45 5.401 11.978 1.286 350 H ARG 46 H ARG 46 8.129 16.416 -1.101 351 HA ARG 46 HA ARG 46 8.929 17.631 1.400 352 1HB ARG 46 2HB ARG 46 9.228 18.343 -1.494 353 2HB ARG 46 1HB ARG 46 9.482 19.572 -0.266 354 1HG ARG 46 2HG ARG 46 11.216 18.141 0.755 355 2HG ARG 46 1HG ARG 46 10.992 16.988 -0.565 356 1HD ARG 46 2HD ARG 46 12.902 18.650 -0.814 357 2HD ARG 46 1HD ARG 46 11.787 18.517 -2.174 358 HE ARG 46 HE ARG 46 10.694 20.535 -0.870 359 1HH1 ARG 46 1HH1 ARG 46 14.104 19.961 -1.469 360 2HH1 ARG 46 2HH1 ARG 46 14.479 21.655 -1.634 361 1HH2 ARG 46 1HH2 ARG 46 11.179 22.733 -1.088 362 2HH2 ARG 46 2HH2 ARG 46 12.816 23.232 -1.403 363 H ARG 47 H ARG 47 6.744 18.435 -1.279 364 HA ARG 47 HA ARG 47 5.677 20.666 0.260 365 1HB ARG 47 2HB ARG 47 6.380 20.981 -2.097 366 2HB ARG 47 1HB ARG 47 5.145 19.838 -2.598 367 1HG ARG 47 2HG ARG 47 4.410 22.113 -2.963 368 2HG ARG 47 1HG ARG 47 3.412 21.332 -1.735 369 1HD ARG 47 2HD ARG 47 4.582 22.474 0.023 370 2HD ARG 47 1HD ARG 47 5.748 23.133 -1.126 371 HE ARG 47 HE ARG 47 3.070 23.875 -1.772 372 1HH1 ARG 47 1HH1 ARG 47 5.754 24.643 0.351 373 2HH1 ARG 47 2HH1 ARG 47 5.286 26.309 0.534 374 1HH2 ARG 47 1HH2 ARG 47 2.474 26.065 -1.555 375 2HH2 ARG 47 2HH2 ARG 47 3.426 27.116 -0.551 376 H THR 48 H THR 48 3.764 20.660 1.211 377 HA THR 48 HA THR 48 1.685 18.818 0.280 378 HB THR 48 HB THR 48 2.386 19.150 3.210 379 HG1 THR 48 1HG THR 48 3.445 17.537 1.329 380 1HG2 THR 48 1HG2 THR 48 0.775 17.335 3.556 381 2HG2 THR 48 2HG2 THR 48 0.424 17.311 1.827 382 3HG2 THR 48 3HG2 THR 48 0.005 18.727 2.794 383 HA PRO 49 HA PRO 49 -0.458 22.737 0.605 384 1HB PRO 49 2HB PRO 49 -2.888 21.867 -0.204 385 2HB PRO 49 1HB PRO 49 -1.539 22.094 -1.323 386 1HG PRO 49 2HG PRO 49 -2.554 19.572 -0.067 387 2HG PRO 49 1HG PRO 49 -2.047 19.862 -1.741 388 1HD PRO 49 2HD PRO 49 -0.449 18.664 0.098 389 2HD PRO 49 1HD PRO 49 0.183 19.649 -1.236 390 H GLU 50 H GLU 50 -0.008 21.792 3.057 391 HA GLU 50 HA GLU 50 -0.742 21.921 5.192 392 1HB GLU 50 2HB GLU 50 -2.080 23.836 4.477 393 2HB GLU 50 1HB GLU 50 -3.366 22.762 3.949 394 1HG GLU 50 2HG GLU 50 -3.709 22.038 6.254 395 2HG GLU 50 1HG GLU 50 -2.417 23.116 6.783 396 H VAL 51 H VAL 51 -1.749 20.636 6.753 397 HA VAL 51 HA VAL 51 -2.600 18.739 7.644 398 HB VAL 51 HB VAL 51 -4.272 18.534 5.125 399 1HG1 VAL 51 1HG1 VAL 51 -5.748 17.135 6.511 400 2HG1 VAL 51 2HG1 VAL 51 -4.575 17.221 7.824 401 3HG1 VAL 51 3HG1 VAL 51 -4.148 16.423 6.310 402 1HG2 VAL 51 1HG2 VAL 51 -4.907 19.785 7.799 403 2HG2 VAL 51 2HG2 VAL 51 -6.058 19.554 6.483 404 3HG2 VAL 51 3HG2 VAL 51 -4.683 20.638 6.273 405 H SER 52 H SER 52 -0.630 17.702 7.571 406 HA SER 52 HA SER 52 -0.160 15.955 5.257 407 1HB SER 52 2HB SER 52 2.221 15.893 6.227 408 2HB SER 52 1HB SER 52 1.695 17.400 5.475 409 HG SER 52 HG SER 52 1.480 18.328 7.446 410 H ASP 53 H ASP 53 0.687 13.828 5.674 411 HA ASP 53 HA ASP 53 0.546 12.745 8.337 412 1HB ASP 53 2HB ASP 53 -1.852 12.778 7.157 413 2HB ASP 53 1HB ASP 53 -1.215 11.336 6.370 414 H ASN 54 H ASN 54 0.408 10.023 7.562 415 HA ASN 54 HA ASN 54 2.411 9.672 5.504 416 1HB ASN 54 2HB ASN 54 4.045 8.534 6.922 417 2HB ASN 54 1HB ASN 54 3.824 10.204 7.410 418 1HD2 ASN 54 1HD2 ASN 54 1.265 9.500 8.821 419 2HD2 ASN 54 2HD2 ASN 54 1.782 8.739 10.287 420 HA PRO 55 HA PRO 55 -0.019 6.172 4.821 421 1HB PRO 55 2HB PRO 55 1.501 4.859 3.046 422 2HB PRO 55 1HB PRO 55 0.793 6.439 2.680 423 1HG PRO 55 2HG PRO 55 3.580 5.768 3.555 424 2HG PRO 55 1HG PRO 55 3.047 6.874 2.276 425 1HD PRO 55 2HD PRO 55 3.778 7.708 4.766 426 2HD PRO 55 1HD PRO 55 2.603 8.569 3.755 427 H VAL 56 H VAL 56 1.399 5.811 7.290 428 HA VAL 56 HA VAL 56 2.623 3.211 7.263 429 HB VAL 56 HB VAL 56 1.533 4.780 9.611 430 1HG1 VAL 56 1HG1 VAL 56 1.817 2.404 10.122 431 2HG1 VAL 56 2HG1 VAL 56 3.000 3.388 10.984 432 3HG1 VAL 56 3HG1 VAL 56 3.484 2.478 9.553 433 1HG2 VAL 56 1HG2 VAL 56 4.316 4.649 8.466 434 2HG2 VAL 56 2HG2 VAL 56 3.870 5.450 9.974 435 3HG2 VAL 56 3HG2 VAL 56 3.232 6.039 8.439 436 H MET 57 H MET 57 -0.535 4.344 7.107 437 HA MET 57 HA MET 57 -2.041 2.565 8.614 438 1HB MET 57 2HB MET 57 -2.767 3.750 5.925 439 2HB MET 57 1HB MET 57 -3.898 3.085 7.093 440 1HG MET 57 2HG MET 57 -2.170 5.520 7.492 441 2HG MET 57 1HG MET 57 -3.896 5.512 7.134 442 1HE MET 57 1HE MET 57 -4.376 7.075 9.230 443 2HE MET 57 2HE MET 57 -2.648 7.112 9.580 444 3HE MET 57 3HE MET 57 -3.796 6.718 10.857 445 H ILE 58 H ILE 58 -0.519 2.104 5.482 446 HA ILE 58 HA ILE 58 -1.986 -0.176 4.698 447 HB ILE 58 HB ILE 58 0.757 0.775 3.866 448 1HG1 ILE 58 2HG1 ILE 58 -0.608 1.107 1.669 449 2HG1 ILE 58 1HG1 ILE 58 -2.011 1.032 2.724 450 1HG2 ILE 58 1HG2 ILE 58 0.616 -0.812 2.001 451 2HG2 ILE 58 2HG2 ILE 58 -0.854 -1.493 2.697 452 3HG2 ILE 58 3HG2 ILE 58 0.677 -1.628 3.562 453 1HD1 ILE 58 1HD1 ILE 58 -1.368 3.323 2.292 454 2HD1 ILE 58 2HD1 ILE 58 0.251 3.004 2.918 455 3HD1 ILE 58 3HD1 ILE 58 -1.144 2.930 3.997 456 H ALA 59 H ALA 59 0.875 0.231 6.695 457 HA ALA 59 HA ALA 59 1.762 -2.446 6.663 458 1HB ALA 59 1HB ALA 59 2.107 -0.369 8.824 459 2HB ALA 59 2HB ALA 59 3.169 -0.607 7.437 460 3HB ALA 59 3HB ALA 59 3.032 -1.862 8.666 461 H GLU 60 H GLU 60 -0.489 -0.725 8.764 462 HA GLU 60 HA GLU 60 -0.979 -2.972 10.471 463 1HB GLU 60 2HB GLU 60 -1.353 -0.373 10.844 464 2HB GLU 60 1HB GLU 60 -2.934 -0.731 10.168 465 1HG GLU 60 2HG GLU 60 -3.248 -0.870 12.458 466 2HG GLU 60 1HG GLU 60 -3.091 -2.548 11.946 467 H LEU 61 H LEU 61 -2.529 -1.495 7.701 468 HA LEU 61 HA LEU 61 -4.961 -2.905 7.743 469 1HB LEU 61 2HB LEU 61 -3.996 -0.821 6.361 470 2HB LEU 61 1HB LEU 61 -3.766 -2.068 5.156 471 HG LEU 61 HG LEU 61 -6.412 -1.349 6.424 472 1HD1 LEU 61 1HD1 LEU 61 -5.281 -0.734 3.696 473 2HD1 LEU 61 2HD1 LEU 61 -5.596 0.426 4.986 474 3HD1 LEU 61 3HD1 LEU 61 -6.938 -0.414 4.210 475 1HD2 LEU 61 1HD2 LEU 61 -5.781 -3.194 4.119 476 2HD2 LEU 61 2HD2 LEU 61 -7.389 -2.783 4.715 477 3HD2 LEU 61 3HD2 LEU 61 -6.279 -3.702 5.732 478 H LEU 62 H LEU 62 -1.907 -3.536 6.050 479 HA LEU 62 HA LEU 62 -2.888 -5.572 4.354 480 1HB LEU 62 2HB LEU 62 -0.629 -4.134 4.438 481 2HB LEU 62 1HB LEU 62 -0.036 -5.603 5.187 482 HG LEU 62 HG LEU 62 0.406 -5.488 2.752 483 1HD1 LEU 62 1HD1 LEU 62 -1.470 -7.700 3.567 484 2HD1 LEU 62 2HD1 LEU 62 0.272 -7.656 3.845 485 3HD1 LEU 62 3HD1 LEU 62 -0.358 -7.735 2.198 486 1HD2 LEU 62 1HD2 LEU 62 -2.593 -5.653 2.511 487 2HD2 LEU 62 2HD2 LEU 62 -1.441 -5.773 1.180 488 3HD2 LEU 62 3HD2 LEU 62 -1.591 -4.267 2.088 489 H ARG 63 H ARG 63 -1.577 -5.622 7.594 490 HA ARG 63 HA ARG 63 -1.204 -8.470 7.656 491 1HB ARG 63 2HB ARG 63 -1.040 -6.307 9.742 492 2HB ARG 63 1HB ARG 63 -0.814 -8.007 10.127 493 1HG ARG 63 2HG ARG 63 1.159 -8.156 8.915 494 2HG ARG 63 1HG ARG 63 0.804 -6.705 7.974 495 1HD ARG 63 2HD ARG 63 2.580 -6.488 9.775 496 2HD ARG 63 1HD ARG 63 1.290 -5.284 9.784 497 HE ARG 63 HE ARG 63 1.350 -7.611 11.597 498 1HH1 ARG 63 1HH1 ARG 63 0.725 -4.239 10.925 499 2HH1 ARG 63 2HH1 ARG 63 0.112 -3.882 12.516 500 1HH2 ARG 63 1HH2 ARG 63 0.581 -7.159 13.714 501 2HH2 ARG 63 2HH2 ARG 63 0.075 -5.547 14.121 502 H GLU 64 H GLU 64 -3.894 -6.505 7.883 503 HA GLU 64 HA GLU 64 -5.326 -8.323 9.665 504 1HB GLU 64 2HB GLU 64 -5.954 -5.602 8.545 505 2HB GLU 64 1HB GLU 64 -7.194 -6.598 9.283 506 1HG GLU 64 2HG GLU 64 -4.688 -5.617 10.617 507 2HG GLU 64 1HG GLU 64 -6.317 -4.989 10.859 508 H PHE 65 H PHE 65 -6.624 -6.546 6.953 509 HA PHE 65 HA PHE 65 -8.475 -7.207 5.720 510 1HB PHE 65 2HB PHE 65 -5.992 -7.424 4.547 511 2HB PHE 65 1HB PHE 65 -6.793 -8.919 4.089 512 HD1 PHE 65 1HD PHE 65 -7.013 -5.257 3.979 513 HD2 PHE 65 2HD PHE 65 -8.591 -8.928 2.524 514 HE1 PHE 65 1HE PHE 65 -8.285 -4.024 2.273 515 HE2 PHE 65 2HE PHE 65 -9.871 -7.703 0.817 516 HZ PHE 65 HZ PHE 65 -9.721 -5.246 0.693 517 HA PRO 66 HA PRO 66 -9.531 -11.277 7.525 518 1HB PRO 66 2HB PRO 66 -12.187 -10.710 7.756 519 2HB PRO 66 1HB PRO 66 -10.992 -10.263 8.979 520 1HG PRO 66 2HG PRO 66 -12.207 -8.591 6.813 521 2HG PRO 66 1HG PRO 66 -11.879 -8.167 8.504 522 1HD PRO 66 2HD PRO 66 -10.272 -7.388 6.476 523 2HD PRO 66 1HD PRO 66 -9.648 -7.753 8.097 524 H GLN 67 H GLN 67 -10.385 -9.610 4.685 525 HA GLN 67 HA GLN 67 -12.256 -11.493 3.634 526 1HB GLN 67 2HB GLN 67 -10.635 -9.323 2.293 527 2HB GLN 67 1HB GLN 67 -11.860 -10.282 1.475 528 1HG GLN 67 2HG GLN 67 -12.319 -8.457 3.827 529 2HG GLN 67 1HG GLN 67 -12.725 -8.109 2.147 530 1HE2 GLN 67 1HE2 GLN 67 -14.467 -9.171 1.194 531 2HE2 GLN 67 2HE2 GLN 67 -15.658 -10.019 2.122 532 H PHE 68 H PHE 68 -8.876 -10.739 2.749 533 HA PHE 68 HA PHE 68 -8.263 -13.491 2.292 534 1HB PHE 68 2HB PHE 68 -7.669 -13.093 -0.161 535 2HB PHE 68 1HB PHE 68 -9.369 -13.302 0.230 536 HD1 PHE 68 1HD PHE 68 -6.910 -10.469 -0.019 537 HD2 PHE 68 2HD PHE 68 -10.825 -11.929 -0.856 538 HE1 PHE 68 1HE PHE 68 -7.446 -8.370 -1.189 539 HE2 PHE 68 2HE PHE 68 -11.365 -9.828 -2.010 540 HZ PHE 68 HZ PHE 68 -9.677 -8.049 -2.177 541 H ASP 69 H ASP 69 -6.075 -13.517 0.905 542 HA ASP 69 HA ASP 69 -4.308 -11.527 2.160 543 1HB ASP 69 2HB ASP 69 -3.922 -13.800 2.986 544 2HB ASP 69 1HB ASP 69 -3.734 -14.388 1.340 545 H TRP 70 H TRP 70 -2.809 -10.492 0.882 546 HA TRP 70 HA TRP 70 -2.498 -11.201 -1.892 547 1HB TRP 70 2HB TRP 70 -3.189 -8.934 -2.680 548 2HB TRP 70 1HB TRP 70 -4.513 -9.928 -2.103 549 HD1 TRP 70 HD TRP 70 -3.099 -8.734 0.991 550 HE1 TRP 70 1HE TRP 70 -4.259 -6.594 1.816 551 HE3 TRP 70 3HE TRP 70 -5.485 -7.389 -3.323 552 HZ2 TRP 70 2HZ TRP 70 -5.961 -4.599 0.781 553 HZ3 TRP 70 3HZ TRP 70 -6.865 -5.351 -3.321 554 HH2 TRP 70 HH TRP 70 -7.097 -3.984 -1.310 555 H GLN 71 H GLN 71 -1.077 -9.446 -3.000 556 HA GLN 71 HA GLN 71 1.222 -9.152 -1.258 557 1HB GLN 71 2HB GLN 71 0.830 -8.806 -4.227 558 2HB GLN 71 1HB GLN 71 2.326 -8.356 -3.428 559 1HG GLN 71 2HG GLN 71 2.725 -10.487 -4.276 560 2HG GLN 71 1HG GLN 71 2.404 -10.744 -2.563 561 1HE2 GLN 71 1HE2 GLN 71 -0.071 -10.093 -4.971 562 2HE2 GLN 71 2HE2 GLN 71 -0.807 -11.655 -4.896 563 H VAL 72 H VAL 72 2.304 -7.240 -0.821 564 HA VAL 72 HA VAL 72 0.751 -4.793 -1.323 565 HB VAL 72 HB VAL 72 0.768 -5.273 1.041 566 1HG1 VAL 72 1HG1 VAL 72 3.776 -5.363 0.846 567 2HG1 VAL 72 2HG1 VAL 72 2.710 -6.736 1.139 568 3HG1 VAL 72 3HG1 VAL 72 2.836 -5.449 2.336 569 1HG2 VAL 72 1HG2 VAL 72 0.960 -2.930 0.400 570 2HG2 VAL 72 2HG2 VAL 72 2.720 -3.061 0.408 571 3HG2 VAL 72 3HG2 VAL 72 1.815 -3.241 1.911 572 H ALA 73 H ALA 73 1.717 -3.186 -2.401 573 HA ALA 73 HA ALA 73 4.634 -3.298 -2.752 574 1HB ALA 73 1HB ALA 73 3.552 -4.326 -4.702 575 2HB ALA 73 2HB ALA 73 4.399 -2.836 -5.115 576 3HB ALA 73 3HB ALA 73 2.641 -2.838 -4.965 577 H VAL 74 H VAL 74 5.660 -1.372 -2.900 578 HA VAL 74 HA VAL 74 4.028 1.073 -2.833 579 HB VAL 74 HB VAL 74 5.387 2.052 -1.078 580 1HG1 VAL 74 1HG1 VAL 74 3.478 0.756 -0.345 581 2HG1 VAL 74 2HG1 VAL 74 4.801 0.617 0.814 582 3HG1 VAL 74 3HG1 VAL 74 4.464 -0.705 -0.303 583 1HG2 VAL 74 1HG2 VAL 74 7.143 0.774 0.076 584 2HG2 VAL 74 2HG2 VAL 74 7.528 1.003 -1.632 585 3HG2 VAL 74 3HG2 VAL 74 6.920 -0.551 -1.064 586 H ALA 75 H ALA 75 5.277 3.010 -3.489 587 HA ALA 75 HA ALA 75 7.703 2.375 -5.002 588 1HB ALA 75 1HB ALA 75 5.859 2.132 -6.575 589 2HB ALA 75 2HB ALA 75 6.865 3.523 -6.984 590 3HB ALA 75 3HB ALA 75 5.308 3.763 -6.192 591 H ASP 76 H ASP 76 9.107 4.029 -5.260 592 HA ASP 76 HA ASP 76 9.026 6.152 -3.398 593 1HB ASP 76 2HB ASP 76 11.146 5.209 -4.062 594 2HB ASP 76 1HB ASP 76 10.854 5.612 -5.750 595 H LEU 77 H LEU 77 9.350 8.461 -4.015 596 HA LEU 77 HA LEU 77 7.085 9.407 -5.374 597 1HB LEU 77 2HB LEU 77 8.220 10.624 -3.571 598 2HB LEU 77 1HB LEU 77 9.614 10.872 -4.603 599 HG LEU 77 HG LEU 77 7.015 11.903 -5.606 600 1HD1 LEU 77 1HD1 LEU 77 7.250 13.949 -4.263 601 2HD1 LEU 77 2HD1 LEU 77 8.538 13.178 -3.338 602 3HD1 LEU 77 3HD1 LEU 77 6.897 12.535 -3.269 603 1HD2 LEU 77 1HD2 LEU 77 9.092 12.160 -6.888 604 2HD2 LEU 77 2HD2 LEU 77 9.817 13.026 -5.533 605 3HD2 LEU 77 3HD2 LEU 77 8.442 13.724 -6.390 606 H GLU 78 H GLU 78 10.434 8.987 -6.428 607 HA GLU 78 HA GLU 78 10.249 10.413 -8.851 608 1HB GLU 78 2HB GLU 78 12.372 9.687 -7.837 609 2HB GLU 78 1HB GLU 78 11.957 8.020 -8.189 610 1HG GLU 78 2HG GLU 78 11.981 8.537 -10.591 611 2HG GLU 78 1HG GLU 78 12.460 10.191 -10.209 612 H GLN 79 H GLN 79 9.485 7.094 -7.999 613 HA GLN 79 HA GLN 79 8.891 6.270 -10.682 614 1HB GLN 79 2HB GLN 79 8.267 4.998 -8.012 615 2HB GLN 79 1HB GLN 79 7.961 4.239 -9.567 616 1HG GLN 79 2HG GLN 79 10.666 5.075 -8.543 617 2HG GLN 79 1HG GLN 79 10.020 3.435 -8.512 618 1HE2 GLN 79 1HE2 GLN 79 8.717 3.748 -11.106 619 2HE2 GLN 79 2HE2 GLN 79 9.977 3.658 -12.286 620 H SER 80 H SER 80 7.139 7.662 -8.046 621 HA SER 80 HA SER 80 4.548 6.826 -8.470 622 1HB SER 80 2HB SER 80 5.338 8.127 -6.520 623 2HB SER 80 1HB SER 80 5.454 9.560 -7.537 624 HG SER 80 HG SER 80 3.493 9.390 -6.293 625 H GLU 81 H GLU 81 6.192 9.611 -9.935 626 HA GLU 81 HA GLU 81 3.999 10.737 -11.231 627 1HB GLU 81 2HB GLU 81 6.213 11.822 -10.951 628 2HB GLU 81 1HB GLU 81 6.875 10.734 -12.164 629 1HG GLU 81 2HG GLU 81 5.290 11.657 -13.807 630 2HG GLU 81 1HG GLU 81 4.736 12.804 -12.586 631 H ALA 82 H ALA 82 6.326 8.332 -12.411 632 HA ALA 82 HA ALA 82 5.195 8.123 -15.005 633 1HB ALA 82 1HB ALA 82 6.945 6.148 -13.539 634 2HB ALA 82 2HB ALA 82 7.518 7.499 -14.519 635 3HB ALA 82 3HB ALA 82 6.629 6.178 -15.274 636 H ILE 83 H ILE 83 4.671 6.398 -11.978 637 HA ILE 83 HA ILE 83 3.106 4.293 -13.043 638 HB ILE 83 HB ILE 83 3.102 5.466 -10.259 639 1HG1 ILE 83 2HG1 ILE 83 4.493 3.043 -11.418 640 2HG1 ILE 83 1HG1 ILE 83 5.271 4.547 -10.949 641 1HG2 ILE 83 1HG2 ILE 83 1.032 4.257 -10.696 642 2HG2 ILE 83 2HG2 ILE 83 2.049 3.371 -9.559 643 3HG2 ILE 83 3HG2 ILE 83 1.955 2.858 -11.244 644 1HD1 ILE 83 1HD1 ILE 83 4.659 4.158 -8.628 645 2HD1 ILE 83 2HD1 ILE 83 5.602 2.816 -9.281 646 3HD1 ILE 83 3HD1 ILE 83 3.856 2.657 -9.092 647 H GLY 84 H GLY 84 2.309 7.482 -11.769 648 1HA GLY 84 2HA GLY 84 -0.491 7.291 -11.910 649 2HA GLY 84 1HA GLY 84 0.433 8.783 -12.003 650 H ASP 85 H ASP 85 1.894 7.786 -14.391 651 HA ASP 85 HA ASP 85 0.029 8.750 -16.364 652 1HB ASP 85 2HB ASP 85 2.482 9.269 -16.381 653 2HB ASP 85 1HB ASP 85 2.792 7.586 -16.782 654 H ARG 86 H ARG 86 1.440 5.740 -15.401 655 HA ARG 86 HA ARG 86 1.108 4.152 -17.620 656 1HB ARG 86 2HB ARG 86 2.298 3.584 -15.477 657 2HB ARG 86 1HB ARG 86 0.727 3.214 -14.780 658 1HG ARG 86 2HG ARG 86 1.792 1.181 -15.483 659 2HG ARG 86 1HG ARG 86 0.398 1.491 -16.518 660 1HD ARG 86 2HD ARG 86 1.808 2.303 -18.279 661 2HD ARG 86 1HD ARG 86 3.229 2.237 -17.237 662 HE ARG 86 HE ARG 86 2.130 -0.333 -17.378 663 1HH1 ARG 86 1HH1 ARG 86 3.734 1.989 -19.436 664 2HH1 ARG 86 2HH1 ARG 86 4.419 0.789 -20.487 665 1HH2 ARG 86 1HH2 ARG 86 3.018 -1.925 -18.724 666 2HH2 ARG 86 2HH2 ARG 86 4.002 -1.450 -20.081 667 H PHE 87 H PHE 87 -1.267 4.660 -14.996 668 HA PHE 87 HA PHE 87 -3.303 3.621 -16.843 669 1HB PHE 87 2HB PHE 87 -4.403 2.643 -14.681 670 2HB PHE 87 1HB PHE 87 -3.149 1.747 -15.527 671 HD1 PHE 87 1HD PHE 87 -3.659 4.104 -12.700 672 HD2 PHE 87 2HD PHE 87 -1.275 1.018 -14.392 673 HE1 PHE 87 1HE PHE 87 -2.353 3.982 -10.628 674 HE2 PHE 87 2HE PHE 87 0.038 0.886 -12.315 675 HZ PHE 87 HZ PHE 87 -0.505 2.371 -10.424 676 H ASN 88 H ASN 88 -2.402 6.278 -15.705 677 HA ASN 88 HA ASN 88 -3.443 8.291 -15.685 678 1HB ASN 88 2HB ASN 88 -5.051 7.299 -17.289 679 2HB ASN 88 1HB ASN 88 -6.034 6.749 -15.936 680 1HD2 ASN 88 1HD2 ASN 88 -7.812 7.920 -16.480 681 2HD2 ASN 88 2HD2 ASN 88 -7.883 9.642 -16.368 682 H VAL 89 H VAL 89 -2.640 8.347 -13.508 683 HA VAL 89 HA VAL 89 -4.822 8.380 -11.523 684 HB VAL 89 HB VAL 89 -1.838 8.316 -11.012 685 1HG1 VAL 89 1HG1 VAL 89 -2.445 8.010 -8.659 686 2HG1 VAL 89 2HG1 VAL 89 -4.148 8.192 -9.073 687 3HG1 VAL 89 3HG1 VAL 89 -3.041 9.548 -9.283 688 1HG2 VAL 89 1HG2 VAL 89 -2.246 6.064 -10.134 689 2HG2 VAL 89 2HG2 VAL 89 -2.637 6.185 -11.850 690 3HG2 VAL 89 3HG2 VAL 89 -3.928 6.176 -10.647 691 H ARG 90 H ARG 90 -5.677 10.352 -11.687 692 HA ARG 90 HA ARG 90 -3.858 12.662 -11.459 693 1HB ARG 90 2HB ARG 90 -6.466 12.280 -12.842 694 2HB ARG 90 1HB ARG 90 -6.199 13.835 -12.075 695 1HG ARG 90 2HG ARG 90 -5.579 14.012 -14.367 696 2HG ARG 90 1HG ARG 90 -4.110 14.070 -13.399 697 1HD ARG 90 2HD ARG 90 -4.987 11.427 -14.430 698 2HD ARG 90 1HD ARG 90 -4.331 12.576 -15.590 699 HE ARG 90 HE ARG 90 -2.832 11.750 -13.182 700 1HH1 ARG 90 1HH1 ARG 90 -3.068 12.203 -16.659 701 2HH1 ARG 90 2HH1 ARG 90 -1.386 11.873 -16.943 702 1HH2 ARG 90 1HH2 ARG 90 -0.608 11.293 -13.572 703 2HH2 ARG 90 2HH2 ARG 90 0.005 11.360 -15.202 704 H ARG 91 H ARG 91 -5.272 14.551 -10.346 705 HA ARG 91 HA ARG 91 -6.134 15.379 -8.417 706 1HB ARG 91 2HB ARG 91 -8.077 13.906 -9.152 707 2HB ARG 91 1HB ARG 91 -7.477 12.698 -8.024 708 1HG ARG 91 2HG ARG 91 -9.266 13.942 -7.011 709 2HG ARG 91 1HG ARG 91 -7.751 14.317 -6.189 710 1HD ARG 91 2HD ARG 91 -7.561 16.369 -7.545 711 2HD ARG 91 1HD ARG 91 -9.121 16.002 -8.280 712 HE ARG 91 HE ARG 91 -9.007 16.251 -5.372 713 1HH1 ARG 91 1HH1 ARG 91 -9.946 17.607 -8.468 714 2HH1 ARG 91 2HH1 ARG 91 -10.988 18.805 -7.757 715 1HH2 ARG 91 1HH2 ARG 91 -10.364 17.820 -4.446 716 2HH2 ARG 91 2HH2 ARG 91 -11.238 18.924 -5.478 717 H PHE 92 H PHE 92 -3.611 13.981 -8.481 718 HA PHE 92 HA PHE 92 -1.898 13.652 -7.039 719 1HB PHE 92 2HB PHE 92 -4.028 14.028 -4.943 720 2HB PHE 92 1HB PHE 92 -2.367 13.616 -4.530 721 HD1 PHE 92 1HD PHE 92 -4.624 16.229 -5.654 722 HD2 PHE 92 2HD PHE 92 -0.546 15.196 -5.003 723 HE1 PHE 92 1HE PHE 92 -4.007 18.606 -5.762 724 HE2 PHE 92 2HE PHE 92 0.077 17.575 -5.109 725 HZ PHE 92 HZ PHE 92 -1.659 19.284 -5.491 726 HA PRO 93 HA PRO 93 -1.799 9.312 -6.809 727 1HB PRO 93 2HB PRO 93 0.377 9.455 -4.850 728 2HB PRO 93 1HB PRO 93 0.415 8.908 -6.529 729 1HG PRO 93 2HG PRO 93 1.575 11.210 -5.756 730 2HG PRO 93 1HG PRO 93 0.818 11.024 -7.350 731 1HD PRO 93 2HD PRO 93 -0.265 12.336 -4.878 732 2HD PRO 93 1HD PRO 93 -0.328 12.887 -6.567 733 H ALA 94 H ALA 94 -1.818 7.426 -5.376 734 HA ALA 94 HA ALA 94 -2.501 7.691 -2.611 735 1HB ALA 94 1HB ALA 94 -4.696 6.977 -4.561 736 2HB ALA 94 2HB ALA 94 -4.609 8.448 -3.592 737 3HB ALA 94 3HB ALA 94 -4.813 6.882 -2.803 738 H THR 95 H THR 95 -3.958 5.280 -2.378 739 HA THR 95 HA THR 95 -2.011 3.330 -3.427 740 HB THR 95 HB THR 95 -3.873 2.973 -1.066 741 HG1 THR 95 1HG THR 95 -1.637 4.415 -1.223 742 1HG2 THR 95 1HG2 THR 95 -3.169 0.883 -2.104 743 2HG2 THR 95 2HG2 THR 95 -2.392 1.080 -0.532 744 3HG2 THR 95 3HG2 THR 95 -1.482 1.389 -2.012 745 H LEU 96 H LEU 96 -2.800 2.181 -5.092 746 HA LEU 96 HA LEU 96 -5.687 2.174 -5.484 747 1HB LEU 96 2HB LEU 96 -3.408 1.513 -7.337 748 2HB LEU 96 1HB LEU 96 -5.090 1.285 -7.763 749 HG LEU 96 HG LEU 96 -5.319 3.808 -7.157 750 1HD1 LEU 96 1HD1 LEU 96 -3.327 5.120 -7.626 751 2HD1 LEU 96 2HD1 LEU 96 -2.380 3.640 -7.784 752 3HD1 LEU 96 3HD1 LEU 96 -3.082 4.074 -6.225 753 1HD2 LEU 96 1HD2 LEU 96 -5.684 2.882 -9.366 754 2HD2 LEU 96 2HD2 LEU 96 -3.946 2.867 -9.662 755 3HD2 LEU 96 3HD2 LEU 96 -4.793 4.402 -9.472 756 H VAL 97 H VAL 97 -6.901 0.368 -5.812 757 HA VAL 97 HA VAL 97 -5.804 -2.043 -4.545 758 HB VAL 97 HB VAL 97 -8.687 -1.205 -4.926 759 1HG1 VAL 97 1HG1 VAL 97 -7.529 -3.496 -3.341 760 2HG1 VAL 97 2HG1 VAL 97 -8.422 -3.634 -4.856 761 3HG1 VAL 97 3HG1 VAL 97 -9.231 -3.035 -3.407 762 1HG2 VAL 97 1HG2 VAL 97 -6.950 -1.164 -2.462 763 2HG2 VAL 97 2HG2 VAL 97 -8.674 -0.792 -2.512 764 3HG2 VAL 97 3HG2 VAL 97 -7.522 0.243 -3.358 765 H PHE 98 H PHE 98 -5.240 -3.615 -5.871 766 HA PHE 98 HA PHE 98 -6.725 -3.963 -8.394 767 1HB PHE 98 2HB PHE 98 -3.885 -4.763 -7.709 768 2HB PHE 98 1HB PHE 98 -4.689 -5.099 -9.235 769 HD1 PHE 98 1HD PHE 98 -3.554 -2.322 -7.043 770 HD2 PHE 98 2HD PHE 98 -4.611 -3.563 -10.974 771 HE1 PHE 98 1HE PHE 98 -2.762 -0.168 -7.933 772 HE2 PHE 98 2HE PHE 98 -3.814 -1.415 -11.865 773 HZ PHE 98 HZ PHE 98 -2.903 0.289 -10.352 774 H THR 99 H THR 99 -8.141 -5.586 -8.184 775 HA THR 99 HA THR 99 -7.156 -8.108 -7.044 776 HB THR 99 HB THR 99 -9.419 -8.586 -6.134 777 HG1 THR 99 1HG THR 99 -10.940 -7.334 -6.884 778 1HG2 THR 99 1HG2 THR 99 -9.313 -7.106 -4.180 779 2HG2 THR 99 2HG2 THR 99 -8.189 -6.054 -5.039 780 3HG2 THR 99 3HG2 THR 99 -7.711 -7.700 -4.623 781 H ASP 100 H ASP 100 -8.104 -9.979 -8.004 782 HA ASP 100 HA ASP 100 -9.043 -11.233 -9.670 783 1HB ASP 100 2HB ASP 100 -10.584 -8.717 -10.348 784 2HB ASP 100 1HB ASP 100 -10.919 -10.320 -10.972 785 H GLY 101 H GLY 101 -6.747 -9.245 -10.007 786 1HA GLY 101 2HA GLY 101 -5.214 -8.867 -11.689 787 2HA GLY 101 1HA GLY 101 -6.269 -9.735 -12.798 788 H LYS 102 H LYS 102 -8.001 -7.362 -11.168 789 HA LYS 102 HA LYS 102 -7.589 -5.464 -13.389 790 1HB LYS 102 2HB LYS 102 -10.245 -6.033 -12.074 791 2HB LYS 102 1HB LYS 102 -9.947 -5.089 -13.524 792 1HG LYS 102 2HG LYS 102 -9.205 -7.135 -14.674 793 2HG LYS 102 1HG LYS 102 -9.589 -8.063 -13.226 794 1HD LYS 102 2HD LYS 102 -11.943 -7.166 -13.433 795 2HD LYS 102 1HD LYS 102 -11.477 -6.566 -15.026 796 1HE LYS 102 2HE LYS 102 -12.496 -8.676 -15.377 797 2HE LYS 102 1HE LYS 102 -10.761 -8.914 -15.581 798 1HZ LYS 102 1HZ LYS 102 -11.586 -10.692 -14.268 799 2HZ LYS 102 2HZ LYS 102 -12.425 -9.646 -13.233 800 3HZ LYS 102 3HZ LYS 102 -10.724 -9.682 -13.214 801 H LEU 103 H LEU 103 -8.084 -3.246 -12.914 802 HA LEU 103 HA LEU 103 -7.488 -2.493 -10.197 803 1HB LEU 103 2HB LEU 103 -6.557 -1.237 -12.096 804 2HB LEU 103 1HB LEU 103 -8.177 -0.806 -12.609 805 HG LEU 103 HG LEU 103 -8.489 0.515 -10.574 806 1HD1 LEU 103 1HD1 LEU 103 -6.643 0.929 -9.051 807 2HD1 LEU 103 2HD1 LEU 103 -5.641 -0.220 -9.937 808 3HD1 LEU 103 3HD1 LEU 103 -7.071 -0.782 -9.072 809 1HD2 LEU 103 1HD2 LEU 103 -6.906 2.305 -11.091 810 2HD2 LEU 103 2HD2 LEU 103 -7.587 1.599 -12.556 811 3HD2 LEU 103 3HD2 LEU 103 -5.950 1.179 -12.053 812 H ARG 104 H ARG 104 -9.024 -2.547 -8.705 813 HA ARG 104 HA ARG 104 -11.816 -2.341 -9.489 814 1HB ARG 104 2HB ARG 104 -10.326 -3.451 -7.225 815 2HB ARG 104 1HB ARG 104 -11.801 -2.619 -6.754 816 1HG ARG 104 2HG ARG 104 -12.102 -5.044 -7.109 817 2HG ARG 104 1HG ARG 104 -13.129 -4.052 -8.140 818 1HD ARG 104 2HD ARG 104 -11.764 -4.461 -10.041 819 2HD ARG 104 1HD ARG 104 -10.493 -5.183 -9.056 820 HE ARG 104 HE ARG 104 -11.941 -7.083 -8.693 821 1HH1 ARG 104 1HH1 ARG 104 -12.954 -4.899 -11.259 822 2HH1 ARG 104 2HH1 ARG 104 -13.936 -6.101 -12.047 823 1HH2 ARG 104 1HH2 ARG 104 -13.236 -8.616 -9.718 824 2HH2 ARG 104 2HH2 ARG 104 -14.105 -8.196 -11.173 825 H GLY 105 H GLY 105 -9.391 -0.464 -7.825 826 1HA GLY 105 2HA GLY 105 -10.569 1.987 -8.163 827 2HA GLY 105 1HA GLY 105 -11.227 1.393 -6.645 828 H ALA 106 H ALA 106 -10.176 3.202 -5.641 829 HA ALA 106 HA ALA 106 -7.390 2.601 -4.982 830 1HB ALA 106 1HB ALA 106 -7.333 4.361 -6.686 831 2HB ALA 106 2HB ALA 106 -6.775 4.960 -5.123 832 3HB ALA 106 3HB ALA 106 -8.396 5.358 -5.694 833 H LEU 107 H LEU 107 -6.715 3.601 -2.937 834 HA LEU 107 HA LEU 107 -9.019 3.802 -1.125 835 1HB LEU 107 2HB LEU 107 -6.893 2.167 -0.931 836 2HB LEU 107 1HB LEU 107 -6.251 3.557 -0.078 837 HG LEU 107 HG LEU 107 -7.215 1.933 1.464 838 1HD1 LEU 107 1HD1 LEU 107 -7.299 4.291 2.081 839 2HD1 LEU 107 2HD1 LEU 107 -8.686 3.406 2.719 840 3HD1 LEU 107 3HD1 LEU 107 -8.874 4.440 1.302 841 1HD2 LEU 107 1HD2 LEU 107 -9.609 1.475 1.483 842 2HD2 LEU 107 2HD2 LEU 107 -8.868 0.946 -0.028 843 3HD2 LEU 107 3HD2 LEU 107 -9.808 2.436 0.016 844 H SER 108 H SER 108 -9.520 5.945 -1.433 845 HA SER 108 HA SER 108 -7.500 7.856 -0.476 846 1HB SER 108 2HB SER 108 -9.748 8.422 -2.428 847 2HB SER 108 1HB SER 108 -8.479 9.540 -1.925 848 HG SER 108 HG SER 108 -7.400 8.764 -3.550 849 H GLY 109 H GLY 109 -8.123 7.844 1.659 850 1HA GLY 109 2HA GLY 109 -10.824 8.896 2.192 851 2HA GLY 109 1HA GLY 109 -10.177 7.558 3.132 852 H ILE 110 H ILE 110 -11.035 9.884 4.346 853 HA ILE 110 HA ILE 110 -8.489 11.180 5.104 854 HB ILE 110 HB ILE 110 -10.055 12.685 3.903 855 1HG1 ILE 110 2HG1 ILE 110 -9.698 13.434 6.815 856 2HG1 ILE 110 1HG1 ILE 110 -8.440 13.553 5.589 857 1HG2 ILE 110 1HG2 ILE 110 -12.162 11.718 4.619 858 2HG2 ILE 110 2HG2 ILE 110 -12.105 13.436 5.015 859 3HG2 ILE 110 3HG2 ILE 110 -11.854 12.231 6.278 860 1HD1 ILE 110 1HD1 ILE 110 -9.763 15.198 4.380 861 2HD1 ILE 110 2HD1 ILE 110 -9.469 15.711 6.041 862 3HD1 ILE 110 3HD1 ILE 110 -11.046 15.067 5.583 863 H HIS 111 H HIS 111 -11.027 9.220 6.145 864 HA HIS 111 HA HIS 111 -10.624 9.932 8.965 865 1HB HIS 111 2HB HIS 111 -12.710 8.237 7.592 866 2HB HIS 111 1HB HIS 111 -12.505 8.241 9.339 867 HD1 HIS 111 1HD HIS 111 -13.446 10.205 10.635 868 HD2 HIS 111 2HD HIS 111 -13.709 10.673 6.507 869 HE1 HIS 111 1HE HIS 111 -14.913 12.221 10.269 870 HE2 HIS 111 2HE HIS 111 -15.155 12.415 7.764 871 HA PRO 112 HA PRO 112 -7.689 6.657 9.434 872 1HB PRO 112 2HB PRO 112 -8.604 6.688 12.259 873 2HB PRO 112 1HB PRO 112 -6.977 6.885 11.598 874 1HG PRO 112 2HG PRO 112 -8.307 8.980 12.567 875 2HG PRO 112 1HG PRO 112 -7.304 9.131 11.109 876 1HD PRO 112 2HD PRO 112 -10.281 8.890 11.348 877 2HD PRO 112 1HD PRO 112 -9.318 9.932 10.279 878 H TRP 113 H TRP 113 -8.432 4.867 8.483 879 HA TRP 113 HA TRP 113 -9.049 2.702 8.367 880 1HB TRP 113 2HB TRP 113 -8.358 2.549 10.765 881 2HB TRP 113 1HB TRP 113 -10.026 2.899 11.220 882 HD1 TRP 113 HD TRP 113 -11.857 0.978 10.733 883 HE1 TRP 113 1HE TRP 113 -11.624 -1.563 10.345 884 HE3 TRP 113 3HE TRP 113 -6.839 0.773 9.780 885 HZ2 TRP 113 2HZ TRP 113 -9.578 -3.392 9.713 886 HZ3 TRP 113 3HZ TRP 113 -5.820 -1.412 9.298 887 HH2 TRP 113 HH TRP 113 -7.160 -3.454 9.267 888 H ALA 114 H ALA 114 -11.415 4.884 9.803 889 HA ALA 114 HA ALA 114 -13.728 3.392 9.532 890 1HB ALA 114 1HB ALA 114 -13.467 6.373 9.160 891 2HB ALA 114 2HB ALA 114 -13.580 5.542 10.713 892 3HB ALA 114 3HB ALA 114 -14.935 5.493 9.585 893 H GLU 115 H GLU 115 -11.954 5.101 7.050 894 HA GLU 115 HA GLU 115 -13.968 5.272 5.095 895 1HB GLU 115 2HB GLU 115 -11.020 4.892 4.571 896 2HB GLU 115 1HB GLU 115 -12.198 5.668 3.523 897 1HG GLU 115 2HG GLU 115 -11.363 6.697 6.222 898 2HG GLU 115 1HG GLU 115 -10.704 7.247 4.685 899 H LEU 116 H LEU 116 -11.904 2.650 6.097 900 HA LEU 116 HA LEU 116 -12.096 1.017 3.803 901 1HB LEU 116 2HB LEU 116 -11.529 0.418 6.695 902 2HB LEU 116 1HB LEU 116 -11.568 -0.843 5.478 903 HG LEU 116 HG LEU 116 -9.738 1.548 5.305 904 1HD1 LEU 116 1HD1 LEU 116 -9.196 -1.205 6.410 905 2HD1 LEU 116 2HD1 LEU 116 -9.210 0.304 7.324 906 3HD1 LEU 116 3HD1 LEU 116 -7.976 0.027 6.094 907 1HD2 LEU 116 1HD2 LEU 116 -10.178 0.436 3.190 908 2HD2 LEU 116 2HD2 LEU 116 -9.784 -1.126 3.908 909 3HD2 LEU 116 3HD2 LEU 116 -8.531 0.102 3.724 910 H LEU 117 H LEU 117 -14.209 1.497 6.542 911 HA LEU 117 HA LEU 117 -15.701 -0.865 6.360 912 1HB LEU 117 2HB LEU 117 -15.784 1.522 7.864 913 2HB LEU 117 1HB LEU 117 -17.375 1.323 7.154 914 HG LEU 117 HG LEU 117 -17.295 0.330 9.372 915 1HD1 LEU 117 1HD1 LEU 117 -17.437 -1.755 7.198 916 2HD1 LEU 117 2HD1 LEU 117 -18.753 -0.705 7.722 917 3HD1 LEU 117 3HD1 LEU 117 -18.099 -1.916 8.825 918 1HD2 LEU 117 1HD2 LEU 117 -14.914 -0.181 9.486 919 2HD2 LEU 117 2HD2 LEU 117 -15.111 -1.432 8.257 920 3HD2 LEU 117 3HD2 LEU 117 -15.875 -1.616 9.836 921 H THR 118 H THR 118 -16.044 2.234 4.709 922 HA THR 118 HA THR 118 -18.380 1.302 3.266 923 HB THR 118 HB THR 118 -16.839 3.852 2.768 924 HG1 THR 118 1HG THR 118 -18.054 4.818 4.335 925 1HG2 THR 118 1HG2 THR 118 -18.456 3.297 1.047 926 2HG2 THR 118 2HG2 THR 118 -19.036 4.667 1.994 927 3HG2 THR 118 3HG2 THR 118 -19.708 3.061 2.264 928 H LEU 119 H LEU 119 -15.025 2.257 2.484 929 HA LEU 119 HA LEU 119 -15.322 1.926 -0.303 930 1HB LEU 119 2HB LEU 119 -12.826 1.916 1.390 931 2HB LEU 119 1HB LEU 119 -12.844 2.004 -0.360 932 HG LEU 119 HG LEU 119 -13.990 4.071 1.521 933 1HD1 LEU 119 1HD1 LEU 119 -11.563 4.047 1.530 934 2HD1 LEU 119 2HD1 LEU 119 -12.164 5.479 0.694 935 3HD1 LEU 119 3HD1 LEU 119 -11.539 4.114 -0.232 936 1HD2 LEU 119 1HD2 LEU 119 -13.776 4.063 -1.489 937 2HD2 LEU 119 2HD2 LEU 119 -14.318 5.416 -0.497 938 3HD2 LEU 119 3HD2 LEU 119 -15.264 3.930 -0.554 939 H MET 120 H MET 120 -13.834 -0.221 2.137 940 HA MET 120 HA MET 120 -13.108 -2.216 0.257 941 1HB MET 120 2HB MET 120 -12.038 -2.088 2.450 942 2HB MET 120 1HB MET 120 -13.568 -2.444 3.237 943 1HG MET 120 2HG MET 120 -13.590 -4.654 2.165 944 2HG MET 120 1HG MET 120 -12.032 -4.296 1.426 945 1HE MET 120 1HE MET 120 -12.669 -4.683 5.985 946 2HE MET 120 2HE MET 120 -13.959 -4.879 4.798 947 3HE MET 120 3HE MET 120 -13.224 -3.296 5.048 948 H ARG 121 H ARG 121 -15.975 -1.599 2.140 949 HA ARG 121 HA ARG 121 -17.326 -4.019 1.808 950 1HB ARG 121 2HB ARG 121 -17.998 -2.057 3.276 951 2HB ARG 121 1HB ARG 121 -18.612 -1.285 1.822 952 1HG ARG 121 2HG ARG 121 -20.173 -3.110 1.479 953 2HG ARG 121 1HG ARG 121 -19.540 -3.930 2.905 954 1HD ARG 121 2HD ARG 121 -20.254 -2.056 4.299 955 2HD ARG 121 1HD ARG 121 -20.888 -1.236 2.873 956 HE ARG 121 HE ARG 121 -22.073 -3.757 2.995 957 1HH1 ARG 121 1HH1 ARG 121 -22.028 -0.790 4.856 958 2HH1 ARG 121 2HH1 ARG 121 -23.632 -1.008 5.481 959 1HH2 ARG 121 1HH2 ARG 121 -24.180 -4.057 3.831 960 2HH2 ARG 121 2HH2 ARG 121 -24.859 -2.848 4.888 961 H SER 122 H SER 122 -17.117 -1.170 -0.254 962 HA SER 122 HA SER 122 -18.958 -2.154 -2.204 963 1HB SER 122 2HB SER 122 -18.562 0.268 -1.807 964 2HB SER 122 1HB SER 122 -16.930 0.082 -2.447 965 HG SER 122 HG SER 122 -19.169 -0.725 -3.968 966 H ILE 123 H ILE 123 -15.428 -1.987 -1.945 967 HA ILE 123 HA ILE 123 -14.833 -2.838 -4.553 968 HB ILE 123 HB ILE 123 -13.206 -3.140 -2.024 969 1HG1 ILE 123 2HG1 ILE 123 -13.055 -1.089 -4.244 970 2HG1 ILE 123 1HG1 ILE 123 -13.785 -0.810 -2.666 971 1HG2 ILE 123 1HG2 ILE 123 -12.442 -4.720 -3.712 972 2HG2 ILE 123 2HG2 ILE 123 -11.269 -3.417 -3.507 973 3HG2 ILE 123 3HG2 ILE 123 -12.346 -3.421 -4.903 974 1HD1 ILE 123 1HD1 ILE 123 -10.889 -1.437 -3.194 975 2HD1 ILE 123 2HD1 ILE 123 -11.615 -1.171 -1.609 976 3HD1 ILE 123 3HD1 ILE 123 -11.559 0.143 -2.783 977 H VAL 124 H VAL 124 -15.073 -4.713 -1.526 978 HA VAL 124 HA VAL 124 -15.347 -7.115 -3.198 979 HB VAL 124 HB VAL 124 -14.376 -8.423 -1.255 980 1HG1 VAL 124 1HG1 VAL 124 -12.586 -6.440 -2.652 981 2HG1 VAL 124 2HG1 VAL 124 -13.137 -7.983 -3.307 982 3HG1 VAL 124 3HG1 VAL 124 -12.070 -7.953 -1.904 983 1HG2 VAL 124 1HG2 VAL 124 -14.591 -6.694 0.471 984 2HG2 VAL 124 2HG2 VAL 124 -13.435 -5.685 -0.397 985 3HG2 VAL 124 3HG2 VAL 124 -12.916 -7.220 0.295 986 H ASP 125 H ASP 125 -17.586 -6.360 -3.084 987 HA ASP 125 HA ASP 125 -19.055 -6.550 -0.654 988 1HB ASP 125 2HB ASP 125 -19.897 -5.151 -2.419 989 2HB ASP 125 1HB ASP 125 -19.940 -6.507 -3.542 990 H THR 126 H THR 126 -18.909 -8.683 -3.513 991 HA THR 126 HA THR 126 -19.450 -10.963 -1.807 992 HB THR 126 HB THR 126 -21.706 -10.170 -2.320 993 HG1 THR 126 1HG THR 126 -21.958 -12.268 -2.266 994 1HG2 THR 126 1HG2 THR 126 -22.557 -10.168 -4.622 995 2HG2 THR 126 2HG2 THR 126 -20.930 -10.503 -5.217 996 3HG2 THR 126 3HG2 THR 126 -21.272 -8.980 -4.396 997 HA PRO 127 HA PRO 127 -16.751 -12.894 -4.780 998 1HB PRO 127 2HB PRO 127 -17.471 -15.500 -4.361 999 2HB PRO 127 1HB PRO 127 -16.409 -14.594 -3.281 1000 1HG PRO 127 2HG PRO 127 -19.332 -15.168 -3.021 1001 2HG PRO 127 1HG PRO 127 -18.068 -15.207 -1.778 1002 1HD PRO 127 2HD PRO 127 -19.775 -13.134 -2.024 1003 2HD PRO 127 1HD PRO 127 -18.092 -12.912 -1.501 1004 H ALA 128 H ALA 128 -20.182 -13.192 -4.838 1005 HA ALA 128 HA ALA 128 -20.132 -14.403 -7.521 1006 1HB ALA 128 1HB ALA 128 -21.538 -15.544 -5.876 1007 2HB ALA 128 2HB ALA 128 -22.529 -14.841 -7.156 1008 3HB ALA 128 3HB ALA 128 -22.425 -14.049 -5.585 1009 H ALA 129 H ALA 129 -19.450 -11.619 -6.914 1010 HA ALA 129 HA ALA 129 -21.640 -9.934 -7.611 1011 1HB ALA 129 1HB ALA 129 -18.689 -9.313 -7.672 1012 2HB ALA 129 2HB ALA 129 -19.734 -9.159 -6.260 1013 3HB ALA 129 3HB ALA 129 -20.014 -8.145 -7.676 1014 H GLN 130 H GLN 130 -21.805 -8.614 -9.494 1015 HA GLN 130 HA GLN 130 -21.194 -10.009 -11.939 1016 1HB GLN 130 2HB GLN 130 -22.523 -7.364 -11.353 1017 2HB GLN 130 1HB GLN 130 -22.234 -7.939 -12.988 1018 1HG GLN 130 2HG GLN 130 -23.837 -9.434 -10.928 1019 2HG GLN 130 1HG GLN 130 -24.527 -8.365 -12.149 1020 1HE2 GLN 130 1HE2 GLN 130 -24.482 -8.981 -14.313 1021 2HE2 GLN 130 2HE2 GLN 130 -24.194 -10.619 -14.796 1022 H GLU 131 H GLU 131 -19.417 -9.772 -13.119 1023 HA GLU 131 HA GLU 131 -17.285 -8.113 -12.344 1024 1HB GLU 131 2HB GLU 131 -17.020 -10.209 -13.649 1025 2HB GLU 131 1HB GLU 131 -17.743 -9.412 -15.039 1026 1HG GLU 131 2HG GLU 131 -15.304 -9.508 -15.191 1027 2HG GLU 131 1HG GLU 131 -15.904 -7.853 -15.150 1028 H THR 132 H THR 132 -16.452 -6.232 -13.265 1029 HA THR 132 HA THR 132 -18.369 -4.695 -14.893 1030 HB THR 132 HB THR 132 -16.830 -3.460 -12.607 1031 HG1 THR 132 1HG THR 132 -18.748 -5.240 -12.348 1032 1HG2 THR 132 1HG2 THR 132 -17.749 -1.943 -14.319 1033 2HG2 THR 132 2HG2 THR 132 -18.542 -1.724 -12.758 1034 3HG2 THR 132 3HG2 THR 132 -19.352 -2.619 -14.045 1035 H VAL 133 H VAL 133 -17.350 -2.761 -15.899 1036 HA VAL 133 HA VAL 133 -15.783 -1.721 -17.154 1037 HB VAL 133 HB VAL 133 -13.649 -3.207 -15.605 1038 1HG1 VAL 133 1HG1 VAL 133 -12.849 -2.049 -17.599 1039 2HG1 VAL 133 2HG1 VAL 133 -12.258 -1.260 -16.137 1040 3HG1 VAL 133 3HG1 VAL 133 -13.596 -0.551 -17.041 1041 1HG2 VAL 133 1HG2 VAL 133 -13.590 -1.251 -14.100 1042 2HG2 VAL 133 2HG2 VAL 133 -15.110 -2.139 -13.999 1043 3HG2 VAL 133 3HG2 VAL 133 -15.034 -0.619 -14.892 1044 H GLN 134 H GLN 134 -16.942 -4.358 -17.736 1045 HA GLN 134 HA GLN 134 -14.945 -5.701 -19.332 1046 1HB GLN 134 2HB GLN 134 -16.637 -7.286 -19.887 1047 2HB GLN 134 1HB GLN 134 -16.819 -6.922 -18.182 1048 1HG GLN 134 2HG GLN 134 -18.463 -5.460 -20.194 1049 2HG GLN 134 1HG GLN 134 -18.898 -7.099 -19.723 1050 1HE2 GLN 134 1HE2 GLN 134 -20.800 -6.499 -18.785 1051 2HE2 GLN 134 2HE2 GLN 134 -20.879 -5.623 -17.295 Start of MODEL 14 1 1H MET 1 1HT MET 1 16.469 7.655 26.022 2 2H MET 1 2HT MET 1 15.876 7.408 24.457 3 3H MET 1 3HT MET 1 17.533 7.226 24.771 4 HA MET 1 HA MET 1 17.038 5.370 26.258 5 1HB MET 1 2HB MET 1 14.718 6.071 26.781 6 2HB MET 1 1HB MET 1 14.240 5.679 25.136 7 1HG MET 1 2HG MET 1 14.897 3.324 25.564 8 2HG MET 1 1HG MET 1 15.209 3.759 27.243 9 1HE MET 1 1HE MET 1 13.554 1.894 28.106 10 2HE MET 1 2HE MET 1 13.236 1.400 26.441 11 3HE MET 1 3HE MET 1 11.893 1.715 27.542 12 H ALA 2 H ALA 2 14.790 5.063 23.561 13 HA ALA 2 HA ALA 2 16.887 3.769 21.969 14 1HB ALA 2 1HB ALA 2 15.610 1.985 23.052 15 2HB ALA 2 2HB ALA 2 15.325 1.998 21.309 16 3HB ALA 2 3HB ALA 2 14.113 2.660 22.406 17 H ASN 3 H ASN 3 17.040 5.428 20.531 18 HA ASN 3 HA ASN 3 14.578 6.547 19.429 19 1HB ASN 3 2HB ASN 3 17.436 7.523 19.251 20 2HB ASN 3 1HB ASN 3 16.058 8.327 18.510 21 1HD2 ASN 3 1HD2 ASN 3 16.265 10.204 19.674 22 2HD2 ASN 3 2HD2 ASN 3 15.927 10.303 21.373 23 H ASP 4 H ASP 4 13.871 5.947 17.521 24 HA ASP 4 HA ASP 4 15.765 4.736 15.618 25 1HB ASP 4 2HB ASP 4 14.362 3.001 16.614 26 2HB ASP 4 1HB ASP 4 12.911 3.899 16.189 27 H THR 5 H THR 5 15.819 5.666 13.694 28 HA THR 5 HA THR 5 13.456 6.876 12.539 29 HB THR 5 HB THR 5 15.910 8.615 12.918 30 HG1 THR 5 1HG THR 5 13.735 8.163 14.549 31 1HG2 THR 5 1HG2 THR 5 14.637 9.158 10.921 32 2HG2 THR 5 2HG2 THR 5 14.394 10.409 12.140 33 3HG2 THR 5 3HG2 THR 5 13.140 9.201 11.855 34 HA PRO 6 HA PRO 6 16.285 5.180 9.384 35 1HB PRO 6 2HB PRO 6 14.734 3.088 8.622 36 2HB PRO 6 1HB PRO 6 15.851 3.015 9.985 37 1HG PRO 6 2HG PRO 6 12.936 3.011 9.998 38 2HG PRO 6 1HG PRO 6 14.058 2.646 11.318 39 1HD PRO 6 2HD PRO 6 12.616 5.126 10.751 40 2HD PRO 6 1HD PRO 6 13.493 4.650 12.220 41 H PHE 7 H PHE 7 16.002 6.852 7.913 42 HA PHE 7 HA PHE 7 13.497 7.107 6.469 43 1HB PHE 7 2HB PHE 7 14.982 9.068 7.098 44 2HB PHE 7 1HB PHE 7 16.129 8.489 5.897 45 HD1 PHE 7 1HD PHE 7 15.567 8.577 3.504 46 HD2 PHE 7 2HD PHE 7 12.995 10.203 6.471 47 HE1 PHE 7 1HE PHE 7 14.385 9.860 1.767 48 HE2 PHE 7 2HE PHE 7 11.807 11.488 4.744 49 HZ PHE 7 HZ PHE 7 12.498 11.317 2.387 50 H SER 8 H SER 8 16.864 6.787 5.321 51 HA SER 8 HA SER 8 15.975 5.404 2.940 52 1HB SER 8 2HB SER 8 18.806 5.938 3.892 53 2HB SER 8 1HB SER 8 18.311 5.479 2.261 54 HG SER 8 HG SER 8 17.847 7.912 3.639 55 H ALA 9 H ALA 9 17.365 4.662 6.031 56 HA ALA 9 HA ALA 9 18.340 2.072 5.494 57 1HB ALA 9 1HB ALA 9 17.306 3.207 8.088 58 2HB ALA 9 2HB ALA 9 18.963 3.327 7.496 59 3HB ALA 9 3HB ALA 9 18.288 1.752 7.914 60 H LEU 10 H LEU 10 15.135 3.294 6.135 61 HA LEU 10 HA LEU 10 13.865 0.931 6.952 62 1HB LEU 10 2HB LEU 10 12.869 3.192 7.083 63 2HB LEU 10 1HB LEU 10 12.708 3.205 5.337 64 HG LEU 10 HG LEU 10 11.178 1.251 5.503 65 1HD1 LEU 10 1HD1 LEU 10 11.389 1.765 8.468 66 2HD1 LEU 10 2HD1 LEU 10 11.983 0.340 7.614 67 3HD1 LEU 10 3HD1 LEU 10 10.251 0.663 7.690 68 1HD2 LEU 10 1HD2 LEU 10 9.271 2.510 6.360 69 2HD2 LEU 10 2HD2 LEU 10 10.307 3.526 5.356 70 3HD2 LEU 10 3HD2 LEU 10 10.369 3.669 7.112 71 H TRP 11 H TRP 11 14.405 2.297 3.730 72 HA TRP 11 HA TRP 11 13.049 0.370 2.234 73 1HB TRP 11 2HB TRP 11 15.051 2.436 1.703 74 2HB TRP 11 1HB TRP 11 15.174 1.055 0.619 75 HD1 TRP 11 HD TRP 11 13.852 4.250 0.309 76 HE1 TRP 11 1HE TRP 11 11.687 4.360 -1.087 77 HE3 TRP 11 3HE TRP 11 12.488 -0.672 0.541 78 HZ2 TRP 11 2HZ TRP 11 9.672 2.584 -1.966 79 HZ3 TRP 11 3HZ TRP 11 10.426 -1.380 -0.595 80 HH2 TRP 11 HH TRP 11 9.050 0.216 -1.820 81 H GLN 12 H GLN 12 16.371 0.387 3.449 82 HA GLN 12 HA GLN 12 17.216 -1.939 2.088 83 1HB GLN 12 2HB GLN 12 18.733 -0.250 3.119 84 2HB GLN 12 1HB GLN 12 18.255 -0.836 4.705 85 1HG GLN 12 2HG GLN 12 19.215 -2.931 2.908 86 2HG GLN 12 1HG GLN 12 20.415 -1.693 3.277 87 1HE2 GLN 12 1HE2 GLN 12 21.666 -3.146 4.458 88 2HE2 GLN 12 2HE2 GLN 12 21.204 -3.702 6.026 89 H ARG 13 H ARG 13 15.688 -1.401 5.207 90 HA ARG 13 HA ARG 13 15.873 -4.112 6.074 91 1HB ARG 13 2HB ARG 13 14.154 -1.818 7.019 92 2HB ARG 13 1HB ARG 13 14.202 -3.393 7.799 93 1HG ARG 13 2HG ARG 13 16.557 -1.547 7.458 94 2HG ARG 13 1HG ARG 13 15.621 -1.757 8.939 95 1HD ARG 13 2HD ARG 13 17.094 -3.973 7.525 96 2HD ARG 13 1HD ARG 13 17.742 -3.060 8.888 97 HE ARG 13 HE ARG 13 15.684 -3.918 10.106 98 1HH1 ARG 13 1HH1 ARG 13 17.273 -5.713 7.541 99 2HH1 ARG 13 2HH1 ARG 13 16.794 -7.256 8.160 100 1HH2 ARG 13 1HH2 ARG 13 15.049 -5.955 10.907 101 2HH2 ARG 13 2HH2 ARG 13 15.529 -7.404 10.061 102 H LEU 14 H LEU 14 13.568 -2.295 4.173 103 HA LEU 14 HA LEU 14 11.463 -4.192 4.338 104 1HB LEU 14 2HB LEU 14 12.081 -2.116 2.234 105 2HB LEU 14 1HB LEU 14 10.617 -3.081 2.259 106 HG LEU 14 HG LEU 14 11.469 -1.036 4.310 107 1HD1 LEU 14 1HD1 LEU 14 9.465 0.143 3.599 108 2HD1 LEU 14 2HD1 LEU 14 9.114 -1.128 2.429 109 3HD1 LEU 14 3HD1 LEU 14 10.551 -0.123 2.233 110 1HD2 LEU 14 1HD2 LEU 14 10.410 -2.940 5.415 111 2HD2 LEU 14 2HD2 LEU 14 9.039 -2.823 4.312 112 3HD2 LEU 14 3HD2 LEU 14 9.368 -1.518 5.450 113 H LEU 15 H LEU 15 13.936 -3.611 1.835 114 HA LEU 15 HA LEU 15 13.218 -5.612 0.068 115 1HB LEU 15 2HB LEU 15 15.754 -4.187 0.660 116 2HB LEU 15 1HB LEU 15 15.848 -5.622 -0.341 117 HG LEU 15 HG LEU 15 14.217 -4.604 -1.903 118 1HD1 LEU 15 1HD1 LEU 15 14.529 -2.180 -0.146 119 2HD1 LEU 15 2HD1 LEU 15 13.054 -3.110 -0.404 120 3HD1 LEU 15 3HD1 LEU 15 13.764 -2.193 -1.733 121 1HD2 LEU 15 1HD2 LEU 15 16.589 -4.432 -2.345 122 2HD2 LEU 15 2HD2 LEU 15 16.694 -2.988 -1.341 123 3HD2 LEU 15 3HD2 LEU 15 15.771 -2.950 -2.844 124 H THR 16 H THR 16 14.810 -5.925 3.117 125 HA THR 16 HA THR 16 16.128 -8.334 2.903 126 HB THR 16 HB THR 16 14.531 -7.378 5.288 127 HG1 THR 16 1HG THR 16 17.186 -6.803 4.409 128 1HG2 THR 16 1HG2 THR 16 16.149 -8.672 6.597 129 2HG2 THR 16 2HG2 THR 16 16.913 -9.227 5.106 130 3HG2 THR 16 3HG2 THR 16 15.257 -9.707 5.479 131 H ARG 17 H ARG 17 12.615 -7.797 3.311 132 HA ARG 17 HA ARG 17 12.139 -10.561 2.620 133 1HB ARG 17 2HB ARG 17 12.325 -9.842 5.369 134 2HB ARG 17 1HB ARG 17 10.655 -10.259 5.019 135 1HG ARG 17 2HG ARG 17 13.059 -11.995 4.470 136 2HG ARG 17 1HG ARG 17 11.915 -12.196 5.797 137 1HD ARG 17 2HD ARG 17 10.109 -12.462 4.071 138 2HD ARG 17 1HD ARG 17 11.375 -12.483 2.843 139 HE ARG 17 HE ARG 17 11.771 -14.414 4.945 140 1HH1 ARG 17 1HH1 ARG 17 10.225 -13.798 1.847 141 2HH1 ARG 17 2HH1 ARG 17 10.077 -15.484 1.447 142 1HH2 ARG 17 1HH2 ARG 17 11.546 -16.639 4.415 143 2HH2 ARG 17 2HH2 ARG 17 10.796 -17.087 2.908 144 H GLY 18 H GLY 18 10.781 -7.409 3.512 145 1HA GLY 18 2HA GLY 18 8.289 -8.235 2.170 146 2HA GLY 18 1HA GLY 18 8.212 -7.526 3.773 147 H TRP 19 H TRP 19 7.041 -6.617 1.282 148 HA TRP 19 HA TRP 19 6.559 -4.675 0.241 149 1HB TRP 19 2HB TRP 19 8.648 -3.463 2.048 150 2HB TRP 19 1HB TRP 19 7.612 -2.546 0.965 151 HD1 TRP 19 HD TRP 19 7.284 -4.876 4.043 152 HE1 TRP 19 1HE TRP 19 5.204 -4.154 5.365 153 HE3 TRP 19 3HE TRP 19 5.561 -1.237 0.906 154 HZ2 TRP 19 2HZ TRP 19 3.104 -2.273 5.115 155 HZ3 TRP 19 3HZ TRP 19 3.524 -0.015 1.518 156 HH2 TRP 19 HH TRP 19 2.315 -0.523 3.580 157 H GLN 20 H GLN 20 7.040 -4.748 -1.766 158 HA GLN 20 HA GLN 20 9.854 -4.704 -2.638 159 1HB GLN 20 2HB GLN 20 8.813 -6.826 -3.142 160 2HB GLN 20 1HB GLN 20 7.414 -6.034 -3.837 161 1HG GLN 20 2HG GLN 20 8.778 -6.981 -5.571 162 2HG GLN 20 1HG GLN 20 8.802 -5.225 -5.688 163 1HE2 GLN 20 1HE2 GLN 20 10.703 -4.171 -5.561 164 2HE2 GLN 20 2HE2 GLN 20 12.235 -4.946 -5.351 165 HA PRO 21 HA PRO 21 8.705 -0.692 -4.369 166 1HB PRO 21 2HB PRO 21 11.261 -1.112 -5.792 167 2HB PRO 21 1HB PRO 21 10.734 0.256 -4.813 168 1HG PRO 21 2HG PRO 21 12.561 -1.544 -3.955 169 2HG PRO 21 1HG PRO 21 11.455 -0.696 -2.861 170 1HD PRO 21 2HD PRO 21 11.422 -3.513 -3.779 171 2HD PRO 21 1HD PRO 21 10.803 -2.803 -2.276 172 H VAL 22 H VAL 22 7.301 -0.624 -5.996 173 HA VAL 22 HA VAL 22 7.461 -2.516 -8.175 174 HB VAL 22 HB VAL 22 5.378 -1.179 -8.980 175 1HG1 VAL 22 1HG1 VAL 22 5.259 -3.430 -8.137 176 2HG1 VAL 22 2HG1 VAL 22 3.949 -2.479 -7.439 177 3HG1 VAL 22 3HG1 VAL 22 5.380 -2.850 -6.477 178 1HG2 VAL 22 1HG2 VAL 22 5.702 0.744 -7.490 179 2HG2 VAL 22 2HG2 VAL 22 5.509 -0.312 -6.091 180 3HG2 VAL 22 3HG2 VAL 22 4.156 -0.053 -7.193 181 H GLU 23 H GLU 23 6.741 -1.467 -10.387 182 HA GLU 23 HA GLU 23 8.525 0.790 -10.972 183 1HB GLU 23 2HB GLU 23 8.539 -1.831 -12.482 184 2HB GLU 23 1HB GLU 23 9.479 -0.404 -12.890 185 1HG GLU 23 2HG GLU 23 10.733 -0.624 -10.818 186 2HG GLU 23 1HG GLU 23 9.772 -2.038 -10.379 187 H ALA 24 H ALA 24 8.242 1.300 -13.449 188 HA ALA 24 HA ALA 24 5.367 1.523 -13.888 189 1HB ALA 24 1HB ALA 24 5.943 3.183 -15.578 190 2HB ALA 24 2HB ALA 24 7.656 2.827 -15.356 191 3HB ALA 24 3HB ALA 24 6.727 3.550 -14.042 192 H SER 25 H SER 25 8.186 -0.022 -15.206 193 HA SER 25 HA SER 25 6.910 -0.713 -17.700 194 1HB SER 25 2HB SER 25 9.469 -1.883 -16.616 195 2HB SER 25 1HB SER 25 8.985 -1.677 -18.302 196 HG SER 25 HG SER 25 9.953 0.213 -16.465 197 H THR 26 H THR 26 7.821 -2.383 -14.707 198 HA THR 26 HA THR 26 6.902 -4.920 -15.789 199 HB THR 26 HB THR 26 7.763 -5.788 -13.555 200 HG1 THR 26 1HG THR 26 9.370 -4.066 -12.727 201 1HG2 THR 26 1HG2 THR 26 10.112 -5.621 -14.229 202 2HG2 THR 26 2HG2 THR 26 9.709 -4.301 -15.328 203 3HG2 THR 26 3HG2 THR 26 9.082 -5.921 -15.629 204 H VAL 27 H VAL 27 5.430 -2.390 -14.226 205 HA VAL 27 HA VAL 27 4.040 -3.616 -12.123 206 HB VAL 27 HB VAL 27 4.160 -1.179 -12.356 207 1HG1 VAL 27 1HG1 VAL 27 2.245 -1.516 -14.658 208 2HG1 VAL 27 2HG1 VAL 27 3.926 -0.998 -14.772 209 3HG1 VAL 27 3HG1 VAL 27 2.746 0.014 -13.940 210 1HG2 VAL 27 1HG2 VAL 27 2.410 -2.135 -10.959 211 2HG2 VAL 27 2HG2 VAL 27 1.333 -2.245 -12.350 212 3HG2 VAL 27 3HG2 VAL 27 1.834 -0.666 -11.746 213 H ASP 28 H ASP 28 3.320 -3.398 -15.557 214 HA ASP 28 HA ASP 28 0.649 -4.269 -15.471 215 1HB ASP 28 2HB ASP 28 1.859 -3.215 -17.432 216 2HB ASP 28 1HB ASP 28 2.613 -4.779 -17.714 217 H ASP 29 H ASP 29 3.688 -6.028 -15.881 218 HA ASP 29 HA ASP 29 2.433 -8.585 -16.129 219 1HB ASP 29 2HB ASP 29 4.677 -7.982 -17.093 220 2HB ASP 29 1HB ASP 29 5.324 -8.008 -15.457 221 H TRP 30 H TRP 30 3.799 -6.698 -13.520 222 HA TRP 30 HA TRP 30 3.840 -8.683 -11.531 223 1HB TRP 30 2HB TRP 30 4.862 -6.407 -11.316 224 2HB TRP 30 1HB TRP 30 3.242 -5.740 -11.144 225 HD1 TRP 30 HD TRP 30 5.708 -8.061 -9.293 226 HE1 TRP 30 1HE TRP 30 5.113 -8.040 -6.787 227 HE3 TRP 30 3HE TRP 30 1.444 -5.242 -9.485 228 HZ2 TRP 30 2HZ TRP 30 3.118 -6.966 -5.114 229 HZ3 TRP 30 3HZ TRP 30 0.252 -4.762 -7.387 230 HH2 TRP 30 HH TRP 30 1.074 -5.609 -5.245 231 H ILE 31 H ILE 31 1.313 -6.347 -12.433 232 HA ILE 31 HA ILE 31 -0.670 -7.258 -10.662 233 HB ILE 31 HB ILE 31 -1.045 -6.001 -13.391 234 1HG1 ILE 31 2HG1 ILE 31 -1.088 -4.685 -10.668 235 2HG1 ILE 31 1HG1 ILE 31 0.315 -4.688 -11.727 236 1HG2 ILE 31 1HG2 ILE 31 -2.963 -6.281 -11.081 237 2HG2 ILE 31 2HG2 ILE 31 -3.081 -7.079 -12.650 238 3HG2 ILE 31 3HG2 ILE 31 -3.254 -5.328 -12.536 239 1HD1 ILE 31 1HD1 ILE 31 -2.361 -3.500 -12.403 240 2HD1 ILE 31 2HD1 ILE 31 -0.912 -3.455 -13.408 241 3HD1 ILE 31 3HD1 ILE 31 -0.943 -2.603 -11.862 242 H LYS 32 H LYS 32 0.217 -8.257 -13.916 243 HA LYS 32 HA LYS 32 -1.780 -10.108 -14.473 244 1HB LYS 32 2HB LYS 32 0.058 -9.313 -16.004 245 2HB LYS 32 1HB LYS 32 1.169 -10.357 -15.139 246 1HG LYS 32 2HG LYS 32 -1.266 -11.393 -16.569 247 2HG LYS 32 1HG LYS 32 0.302 -11.201 -17.349 248 1HD LYS 32 2HD LYS 32 -0.342 -12.971 -14.992 249 2HD LYS 32 1HD LYS 32 0.020 -13.492 -16.635 250 1HE LYS 32 2HE LYS 32 1.935 -12.020 -14.829 251 2HE LYS 32 1HE LYS 32 1.918 -13.766 -15.067 252 1HZ LYS 32 1HZ LYS 32 2.640 -11.655 -17.010 253 2HZ LYS 32 2HZ LYS 32 2.233 -13.224 -17.515 254 3HZ LYS 32 3HZ LYS 32 3.561 -12.979 -16.489 255 H ARG 33 H ARG 33 1.183 -10.447 -12.583 256 HA ARG 33 HA ARG 33 0.904 -13.286 -12.231 257 1HB ARG 33 2HB ARG 33 3.027 -11.753 -12.237 258 2HB ARG 33 1HB ARG 33 2.657 -11.536 -10.539 259 1HG ARG 33 2HG ARG 33 3.018 -14.247 -11.788 260 2HG ARG 33 1HG ARG 33 4.350 -13.319 -11.097 261 1HD ARG 33 2HD ARG 33 3.182 -13.277 -8.942 262 2HD ARG 33 1HD ARG 33 1.871 -14.229 -9.639 263 HE ARG 33 HE ARG 33 4.403 -15.511 -9.953 264 1HH1 ARG 33 1HH1 ARG 33 1.859 -14.909 -7.616 265 2HH1 ARG 33 2HH1 ARG 33 2.202 -16.335 -6.683 266 1HH2 ARG 33 1HH2 ARG 33 4.856 -17.372 -8.743 267 2HH2 ARG 33 2HH2 ARG 33 3.892 -17.762 -7.344 268 H VAL 34 H VAL 34 0.464 -10.422 -10.210 269 HA VAL 34 HA VAL 34 -0.188 -11.988 -7.896 270 HB VAL 34 HB VAL 34 -0.594 -9.896 -6.743 271 1HG1 VAL 34 1HG1 VAL 34 1.614 -8.871 -7.020 272 2HG1 VAL 34 2HG1 VAL 34 1.843 -9.789 -8.509 273 3HG1 VAL 34 3HG1 VAL 34 1.693 -10.630 -6.966 274 1HG2 VAL 34 1HG2 VAL 34 -0.343 -7.723 -7.869 275 2HG2 VAL 34 2HG2 VAL 34 -1.737 -8.623 -8.467 276 3HG2 VAL 34 3HG2 VAL 34 -0.258 -8.550 -9.425 277 H GLY 35 H GLY 35 -2.056 -10.041 -10.176 278 1HA GLY 35 2HA GLY 35 -4.290 -10.150 -10.741 279 2HA GLY 35 1HA GLY 35 -4.462 -11.523 -9.661 280 H ASP 36 H ASP 36 -3.715 -10.525 -7.295 281 HA ASP 36 HA ASP 36 -5.562 -8.306 -6.777 282 1HB ASP 36 2HB ASP 36 -5.185 -10.807 -5.103 283 2HB ASP 36 1HB ASP 36 -6.227 -9.449 -4.703 284 H GLY 37 H GLY 37 -4.357 -6.660 -6.143 285 1HA GLY 37 2HA GLY 37 -2.621 -6.797 -3.891 286 2HA GLY 37 1HA GLY 37 -1.690 -6.735 -5.383 287 H VAL 38 H VAL 38 -1.190 -4.698 -3.857 288 HA VAL 38 HA VAL 38 -2.726 -2.496 -5.041 289 HB VAL 38 HB VAL 38 -2.495 -1.234 -2.879 290 1HG1 VAL 38 1HG1 VAL 38 -4.424 -2.293 -1.818 291 2HG1 VAL 38 2HG1 VAL 38 -4.175 -3.742 -2.792 292 3HG1 VAL 38 3HG1 VAL 38 -4.619 -2.222 -3.568 293 1HG2 VAL 38 1HG2 VAL 38 -1.862 -3.969 -1.764 294 2HG2 VAL 38 2HG2 VAL 38 -2.179 -2.513 -0.821 295 3HG2 VAL 38 3HG2 VAL 38 -0.749 -2.603 -1.849 296 H ILE 39 H ILE 39 -1.539 -0.911 -5.870 297 HA ILE 39 HA ILE 39 1.344 -0.869 -5.310 298 HB ILE 39 HB ILE 39 -0.260 0.353 -7.569 299 1HG1 ILE 39 2HG1 ILE 39 1.439 -0.933 -8.954 300 2HG1 ILE 39 1HG1 ILE 39 1.925 -1.739 -7.469 301 1HG2 ILE 39 1HG2 ILE 39 1.841 1.286 -8.423 302 2HG2 ILE 39 2HG2 ILE 39 2.659 0.769 -6.948 303 3HG2 ILE 39 3HG2 ILE 39 1.385 1.986 -6.871 304 1HD1 ILE 39 1HD1 ILE 39 0.391 -3.117 -8.717 305 2HD1 ILE 39 2HD1 ILE 39 -0.799 -1.815 -8.757 306 3HD1 ILE 39 3HD1 ILE 39 -0.378 -2.583 -7.224 307 H LEU 40 H LEU 40 1.936 0.489 -3.756 308 HA LEU 40 HA LEU 40 0.326 2.854 -3.165 309 1HB LEU 40 2HB LEU 40 1.295 1.192 -1.434 310 2HB LEU 40 1HB LEU 40 2.831 1.975 -1.737 311 HG LEU 40 HG LEU 40 0.392 3.470 -0.763 312 1HD1 LEU 40 1HD1 LEU 40 2.657 2.276 0.826 313 2HD1 LEU 40 2HD1 LEU 40 0.973 1.753 0.854 314 3HD1 LEU 40 3HD1 LEU 40 1.413 3.350 1.463 315 1HD2 LEU 40 1HD2 LEU 40 2.011 5.161 -0.097 316 2HD2 LEU 40 2HD2 LEU 40 2.140 4.836 -1.826 317 3HD2 LEU 40 3HD2 LEU 40 3.330 4.163 -0.711 318 H LEU 41 H LEU 41 0.818 4.750 -4.064 319 HA LEU 41 HA LEU 41 3.316 5.065 -5.501 320 1HB LEU 41 2HB LEU 41 0.789 6.660 -5.313 321 2HB LEU 41 1HB LEU 41 2.231 7.370 -6.007 322 HG LEU 41 HG LEU 41 2.273 5.539 -7.693 323 1HD1 LEU 41 1HD1 LEU 41 0.328 4.143 -8.014 324 2HD1 LEU 41 2HD1 LEU 41 -0.444 4.844 -6.593 325 3HD1 LEU 41 3HD1 LEU 41 1.011 3.862 -6.412 326 1HD2 LEU 41 1HD2 LEU 41 0.381 6.404 -8.997 327 2HD2 LEU 41 2HD2 LEU 41 1.313 7.689 -8.228 328 3HD2 LEU 41 3HD2 LEU 41 -0.236 7.195 -7.548 329 H SER 42 H SER 42 5.007 6.174 -4.892 330 HA SER 42 HA SER 42 6.490 7.393 -3.742 331 1HB SER 42 2HB SER 42 5.760 9.619 -2.878 332 2HB SER 42 1HB SER 42 5.305 9.309 -4.549 333 HG SER 42 HG SER 42 3.372 8.493 -2.828 334 H SER 43 H SER 43 7.466 6.627 -2.050 335 HA SER 43 HA SER 43 6.141 5.839 0.346 336 1HB SER 43 2HB SER 43 9.093 6.353 -0.085 337 2HB SER 43 1HB SER 43 8.367 5.362 1.181 338 HG SER 43 HG SER 43 7.663 4.664 -1.402 339 H ASP 44 H ASP 44 8.189 8.583 -0.559 340 HA ASP 44 HA ASP 44 6.834 10.178 1.494 341 1HB ASP 44 2HB ASP 44 9.151 9.578 2.296 342 2HB ASP 44 1HB ASP 44 9.798 10.416 0.890 343 HA PRO 45 HA PRO 45 6.232 12.435 -2.307 344 1HB PRO 45 2HB PRO 45 4.565 14.241 -0.764 345 2HB PRO 45 1HB PRO 45 4.088 13.080 -2.002 346 1HG PRO 45 2HG PRO 45 3.471 12.798 0.635 347 2HG PRO 45 1HG PRO 45 3.670 11.430 -0.475 348 1HD PRO 45 2HD PRO 45 5.587 12.530 1.543 349 2HD PRO 45 1HD PRO 45 5.238 10.839 1.124 350 H ARG 46 H ARG 46 7.526 13.678 0.669 351 HA ARG 46 HA ARG 46 8.713 15.926 -0.764 352 1HB ARG 46 2HB ARG 46 6.810 16.266 1.543 353 2HB ARG 46 1HB ARG 46 8.030 17.473 1.171 354 1HG ARG 46 2HG ARG 46 5.968 16.551 -0.815 355 2HG ARG 46 1HG ARG 46 5.724 17.915 0.277 356 1HD ARG 46 2HD ARG 46 6.476 18.907 -1.691 357 2HD ARG 46 1HD ARG 46 7.920 18.826 -0.689 358 HE ARG 46 HE ARG 46 7.745 16.520 -2.325 359 1HH1 ARG 46 1HH1 ARG 46 8.500 19.947 -2.459 360 2HH1 ARG 46 2HH1 ARG 46 9.483 19.805 -3.879 361 1HH2 ARG 46 1HH2 ARG 46 9.037 16.334 -4.214 362 2HH2 ARG 46 2HH2 ARG 46 9.761 17.765 -4.901 363 H ARG 47 H ARG 47 8.229 15.194 2.681 364 HA ARG 47 HA ARG 47 10.819 14.290 3.247 365 1HB ARG 47 2HB ARG 47 11.529 16.531 2.556 366 2HB ARG 47 1HB ARG 47 10.387 17.257 3.677 367 1HG ARG 47 2HG ARG 47 11.634 16.181 5.543 368 2HG ARG 47 1HG ARG 47 12.837 15.654 4.366 369 1HD ARG 47 2HD ARG 47 13.254 17.991 3.754 370 2HD ARG 47 1HD ARG 47 12.060 18.513 4.939 371 HE ARG 47 HE ARG 47 14.039 16.900 6.170 372 1HH1 ARG 47 1HH1 ARG 47 13.520 20.131 4.904 373 2HH1 ARG 47 2HH1 ARG 47 14.749 20.846 5.899 374 1HH2 ARG 47 1HH2 ARG 47 15.632 17.839 7.471 375 2HH2 ARG 47 2HH2 ARG 47 15.954 19.540 7.352 376 H THR 48 H THR 48 10.016 12.989 4.835 377 HA THR 48 HA THR 48 8.374 14.169 6.929 378 HB THR 48 HB THR 48 7.744 11.940 6.217 379 HG1 THR 48 1HG THR 48 8.904 11.478 8.746 380 1HG2 THR 48 1HG2 THR 48 9.175 9.990 6.601 381 2HG2 THR 48 2HG2 THR 48 10.482 11.050 7.125 382 3HG2 THR 48 3HG2 THR 48 9.915 11.110 5.456 383 HA PRO 49 HA PRO 49 12.062 14.857 9.373 384 1HB PRO 49 2HB PRO 49 10.547 16.476 11.150 385 2HB PRO 49 1HB PRO 49 11.590 17.021 9.836 386 1HG PRO 49 2HG PRO 49 8.818 17.304 9.930 387 2HG PRO 49 1HG PRO 49 9.825 17.450 8.480 388 1HD PRO 49 2HD PRO 49 8.187 15.138 9.432 389 2HD PRO 49 1HD PRO 49 8.496 15.701 7.773 390 H GLU 50 H GLU 50 12.624 13.186 10.626 391 HA GLU 50 HA GLU 50 12.733 11.730 12.360 392 1HB GLU 50 2HB GLU 50 10.945 13.840 13.500 393 2HB GLU 50 1HB GLU 50 11.166 12.337 14.381 394 1HG GLU 50 2HG GLU 50 12.678 14.085 15.160 395 2HG GLU 50 1HG GLU 50 13.555 12.713 14.491 396 H VAL 51 H VAL 51 10.687 10.817 14.108 397 HA VAL 51 HA VAL 51 8.883 9.447 14.267 398 HB VAL 51 HB VAL 51 8.284 10.214 11.401 399 1HG1 VAL 51 1HG1 VAL 51 7.348 8.019 11.968 400 2HG1 VAL 51 2HG1 VAL 51 6.083 9.231 11.761 401 3HG1 VAL 51 3HG1 VAL 51 6.562 8.724 13.380 402 1HG2 VAL 51 1HG2 VAL 51 6.525 11.606 12.371 403 2HG2 VAL 51 2HG2 VAL 51 8.113 12.083 12.972 404 3HG2 VAL 51 3HG2 VAL 51 7.034 11.132 13.991 405 H SER 52 H SER 52 8.811 7.288 14.236 406 HA SER 52 HA SER 52 10.818 5.894 12.701 407 1HB SER 52 2HB SER 52 8.826 4.756 14.674 408 2HB SER 52 1HB SER 52 10.332 4.016 14.132 409 HG SER 52 HG SER 52 11.373 5.942 15.083 410 H ASP 53 H ASP 53 10.472 4.779 10.912 411 HA ASP 53 HA ASP 53 9.516 3.536 9.269 412 1HB ASP 53 2HB ASP 53 8.185 2.613 11.390 413 2HB ASP 53 1HB ASP 53 6.843 3.412 10.580 414 H ASN 54 H ASN 54 7.635 3.670 7.627 415 HA ASN 54 HA ASN 54 6.752 6.474 7.450 416 1HB ASN 54 2HB ASN 54 8.142 4.921 5.263 417 2HB ASN 54 1HB ASN 54 7.279 6.428 4.989 418 1HD2 ASN 54 1HD2 ASN 54 8.163 7.561 7.558 419 2HD2 ASN 54 2HD2 ASN 54 9.815 7.996 7.320 420 HA PRO 55 HA PRO 55 3.725 4.024 4.713 421 1HB PRO 55 2HB PRO 55 4.015 1.394 4.257 422 2HB PRO 55 1HB PRO 55 4.899 2.606 3.322 423 1HG PRO 55 2HG PRO 55 5.831 0.920 5.604 424 2HG PRO 55 1HG PRO 55 6.674 1.338 4.102 425 1HD PRO 55 2HD PRO 55 7.107 2.590 6.507 426 2HD PRO 55 1HD PRO 55 7.398 3.347 4.931 427 H VAL 56 H VAL 56 3.710 4.226 7.538 428 HA VAL 56 HA VAL 56 2.482 1.914 8.691 429 HB VAL 56 HB VAL 56 1.892 3.406 10.573 430 1HG1 VAL 56 1HG1 VAL 56 4.172 3.943 11.277 431 2HG1 VAL 56 2HG1 VAL 56 4.737 3.746 9.617 432 3HG1 VAL 56 3HG1 VAL 56 4.111 2.356 10.505 433 1HG2 VAL 56 1HG2 VAL 56 3.127 5.561 8.864 434 2HG2 VAL 56 2HG2 VAL 56 2.668 5.738 10.556 435 3HG2 VAL 56 3HG2 VAL 56 1.430 5.445 9.333 436 H MET 57 H MET 57 0.238 2.113 9.691 437 HA MET 57 HA MET 57 -1.999 2.432 9.569 438 1HB MET 57 2HB MET 57 -1.594 4.819 9.239 439 2HB MET 57 1HB MET 57 -1.373 4.559 7.516 440 1HG MET 57 2HG MET 57 -3.656 3.985 7.224 441 2HG MET 57 1HG MET 57 -3.925 3.922 8.965 442 1HE MET 57 1HE MET 57 -1.720 6.624 7.212 443 2HE MET 57 2HE MET 57 -2.897 7.874 6.808 444 3HE MET 57 3HE MET 57 -2.938 6.316 5.979 445 H ILE 58 H ILE 58 -0.486 2.538 6.335 446 HA ILE 58 HA ILE 58 -2.450 0.871 5.117 447 HB ILE 58 HB ILE 58 0.445 1.298 4.324 448 1HG1 ILE 58 2HG1 ILE 58 -0.905 2.575 2.420 449 2HG1 ILE 58 1HG1 ILE 58 -2.089 2.741 3.712 450 1HG2 ILE 58 1HG2 ILE 58 -0.376 -0.777 3.389 451 2HG2 ILE 58 2HG2 ILE 58 -0.228 0.440 2.120 452 3HG2 ILE 58 3HG2 ILE 58 -1.816 0.040 2.776 453 1HD1 ILE 58 1HD1 ILE 58 -0.626 4.679 3.565 454 2HD1 ILE 58 2HD1 ILE 58 0.780 3.644 3.827 455 3HD1 ILE 58 3HD1 ILE 58 -0.425 3.840 5.101 456 H ALA 59 H ALA 59 0.436 0.346 6.989 457 HA ALA 59 HA ALA 59 0.849 -2.381 6.493 458 1HB ALA 59 1HB ALA 59 2.137 -2.376 8.568 459 2HB ALA 59 2HB ALA 59 1.461 -0.802 8.988 460 3HB ALA 59 3HB ALA 59 2.509 -0.966 7.579 461 H GLU 60 H GLU 60 -0.974 -0.773 9.120 462 HA GLU 60 HA GLU 60 -1.932 -3.082 10.350 463 1HB GLU 60 2HB GLU 60 -3.268 -0.373 10.146 464 2HB GLU 60 1HB GLU 60 -3.700 -1.641 11.272 465 1HG GLU 60 2HG GLU 60 -2.415 -0.351 12.614 466 2HG GLU 60 1HG GLU 60 -1.200 -1.457 11.981 467 H LEU 61 H LEU 61 -3.286 -1.164 7.713 468 HA LEU 61 HA LEU 61 -5.689 -2.487 7.280 469 1HB LEU 61 2HB LEU 61 -4.713 -0.421 6.132 470 2HB LEU 61 1HB LEU 61 -3.846 -1.523 5.096 471 HG LEU 61 HG LEU 61 -5.992 -0.508 4.176 472 1HD1 LEU 61 1HD1 LEU 61 -4.886 -2.416 3.128 473 2HD1 LEU 61 2HD1 LEU 61 -6.640 -2.539 3.013 474 3HD1 LEU 61 3HD1 LEU 61 -5.764 -3.514 4.195 475 1HD2 LEU 61 1HD2 LEU 61 -7.226 -2.517 6.051 476 2HD2 LEU 61 2HD2 LEU 61 -8.075 -1.620 4.792 477 3HD2 LEU 61 3HD2 LEU 61 -7.368 -0.762 6.160 478 H LEU 62 H LEU 62 -2.469 -3.194 6.077 479 HA LEU 62 HA LEU 62 -3.168 -5.514 4.592 480 1HB LEU 62 2HB LEU 62 -0.777 -4.011 5.236 481 2HB LEU 62 1HB LEU 62 -0.472 -5.736 5.265 482 HG LEU 62 HG LEU 62 0.028 -4.693 3.080 483 1HD1 LEU 62 1HD1 LEU 62 -1.123 -6.353 1.717 484 2HD1 LEU 62 2HD1 LEU 62 -2.251 -6.663 3.035 485 3HD1 LEU 62 3HD1 LEU 62 -0.544 -7.059 3.226 486 1HD2 LEU 62 1HD2 LEU 62 -2.951 -4.215 2.957 487 2HD2 LEU 62 2HD2 LEU 62 -1.807 -3.966 1.636 488 3HD2 LEU 62 3HD2 LEU 62 -1.708 -2.970 3.087 489 H ARG 63 H ARG 63 -3.132 -5.103 7.902 490 HA ARG 63 HA ARG 63 -2.389 -7.909 8.352 491 1HB ARG 63 2HB ARG 63 -2.473 -5.593 10.277 492 2HB ARG 63 1HB ARG 63 -2.164 -7.257 10.749 493 1HG ARG 63 2HG ARG 63 -0.479 -5.718 8.790 494 2HG ARG 63 1HG ARG 63 -0.132 -5.853 10.509 495 1HD ARG 63 2HD ARG 63 1.195 -7.478 9.331 496 2HD ARG 63 1HD ARG 63 -0.051 -8.333 10.238 497 HE ARG 63 HE ARG 63 -0.758 -7.736 7.502 498 1HH1 ARG 63 1HH1 ARG 63 0.750 -10.071 9.639 499 2HH1 ARG 63 2HH1 ARG 63 0.460 -11.419 8.575 500 1HH2 ARG 63 1HH2 ARG 63 -1.124 -9.473 6.110 501 2HH2 ARG 63 2HH2 ARG 63 -0.591 -11.070 6.545 502 H GLU 64 H GLU 64 -4.863 -5.492 9.242 503 HA GLU 64 HA GLU 64 -6.403 -7.618 10.505 504 1HB GLU 64 2HB GLU 64 -7.785 -5.783 11.395 505 2HB GLU 64 1HB GLU 64 -6.093 -5.632 11.824 506 1HG GLU 64 2HG GLU 64 -5.812 -3.956 10.061 507 2HG GLU 64 1HG GLU 64 -7.526 -4.098 9.668 508 H PHE 65 H PHE 65 -6.168 -7.251 7.523 509 HA PHE 65 HA PHE 65 -8.936 -6.674 6.809 510 1HB PHE 65 2HB PHE 65 -6.690 -6.171 5.415 511 2HB PHE 65 1HB PHE 65 -7.045 -7.776 4.787 512 HD1 PHE 65 1HD PHE 65 -9.287 -8.183 3.709 513 HD2 PHE 65 2HD PHE 65 -7.875 -4.293 4.698 514 HE1 PHE 65 1HE PHE 65 -10.934 -7.195 2.169 515 HE2 PHE 65 2HE PHE 65 -9.515 -3.300 3.160 516 HZ PHE 65 HZ PHE 65 -11.047 -4.749 1.895 517 HA PRO 66 HA PRO 66 -9.576 -11.043 7.627 518 1HB PRO 66 2HB PRO 66 -12.409 -10.559 7.478 519 2HB PRO 66 1HB PRO 66 -11.418 -10.843 8.909 520 1HG PRO 66 2HG PRO 66 -12.637 -8.455 8.322 521 2HG PRO 66 1HG PRO 66 -11.205 -8.619 9.350 522 1HD PRO 66 2HD PRO 66 -11.397 -7.793 6.480 523 2HD PRO 66 1HD PRO 66 -10.342 -7.171 7.768 524 H GLN 67 H GLN 67 -9.640 -9.719 4.766 525 HA GLN 67 HA GLN 67 -11.188 -11.895 3.539 526 1HB GLN 67 2HB GLN 67 -11.109 -8.994 2.732 527 2HB GLN 67 1HB GLN 67 -11.651 -10.257 1.637 528 1HG GLN 67 2HG GLN 67 -12.878 -9.507 4.279 529 2HG GLN 67 1HG GLN 67 -13.543 -9.204 2.676 530 1HE2 GLN 67 1HE2 GLN 67 -12.677 -11.862 1.711 531 2HE2 GLN 67 2HE2 GLN 67 -13.781 -12.994 2.406 532 H PHE 68 H PHE 68 -8.495 -9.619 3.115 533 HA PHE 68 HA PHE 68 -7.618 -11.275 0.854 534 1HB PHE 68 2HB PHE 68 -7.363 -8.314 1.318 535 2HB PHE 68 1HB PHE 68 -6.407 -9.164 0.109 536 HD1 PHE 68 1HD PHE 68 -9.480 -7.543 0.816 537 HD2 PHE 68 2HD PHE 68 -7.682 -10.495 -1.665 538 HE1 PHE 68 1HE PHE 68 -11.329 -7.316 -0.794 539 HE2 PHE 68 2HE PHE 68 -9.523 -10.268 -3.279 540 HZ PHE 68 HZ PHE 68 -11.349 -8.677 -2.844 541 H ASP 69 H ASP 69 -6.074 -12.594 1.580 542 HA ASP 69 HA ASP 69 -3.775 -11.489 2.980 543 1HB ASP 69 2HB ASP 69 -4.514 -13.848 3.381 544 2HB ASP 69 1HB ASP 69 -4.137 -14.219 1.704 545 H TRP 70 H TRP 70 -3.950 -9.875 1.091 546 HA TRP 70 HA TRP 70 -3.004 -10.885 -1.461 547 1HB TRP 70 2HB TRP 70 -3.467 -8.530 -2.250 548 2HB TRP 70 1HB TRP 70 -4.860 -9.439 -1.689 549 HD1 TRP 70 HD TRP 70 -3.109 -8.242 1.315 550 HE1 TRP 70 1HE TRP 70 -4.240 -6.124 2.242 551 HE3 TRP 70 3HE TRP 70 -6.004 -7.035 -2.721 552 HZ2 TRP 70 2HZ TRP 70 -6.100 -4.188 1.370 553 HZ3 TRP 70 3HZ TRP 70 -7.428 -5.034 -2.594 554 HH2 TRP 70 HH TRP 70 -7.476 -3.641 -0.592 555 H GLN 71 H GLN 71 -1.713 -8.833 -2.575 556 HA GLN 71 HA GLN 71 0.811 -8.911 -1.064 557 1HB GLN 71 2HB GLN 71 0.379 -8.918 -4.065 558 2HB GLN 71 1HB GLN 71 1.931 -9.040 -3.241 559 1HG GLN 71 2HG GLN 71 1.467 -11.179 -2.420 560 2HG GLN 71 1HG GLN 71 -0.259 -11.025 -2.737 561 1HE2 GLN 71 1HE2 GLN 71 -1.024 -11.312 -4.843 562 2HE2 GLN 71 2HE2 GLN 71 -0.069 -12.090 -6.052 563 H VAL 72 H VAL 72 1.586 -7.028 -0.446 564 HA VAL 72 HA VAL 72 0.538 -4.585 -1.682 565 HB VAL 72 HB VAL 72 0.152 -4.798 0.728 566 1HG1 VAL 72 1HG1 VAL 72 2.023 -4.709 2.315 567 2HG1 VAL 72 2HG1 VAL 72 3.155 -4.867 0.972 568 3HG1 VAL 72 3HG1 VAL 72 2.039 -6.182 1.344 569 1HG2 VAL 72 1HG2 VAL 72 1.044 -2.625 1.426 570 2HG2 VAL 72 2HG2 VAL 72 0.418 -2.565 -0.221 571 3HG2 VAL 72 3HG2 VAL 72 2.157 -2.643 0.060 572 H ALA 73 H ALA 73 1.851 -3.067 -2.570 573 HA ALA 73 HA ALA 73 4.744 -3.329 -2.254 574 1HB ALA 73 1HB ALA 73 3.399 -3.164 -4.947 575 2HB ALA 73 2HB ALA 73 4.163 -4.603 -4.271 576 3HB ALA 73 3HB ALA 73 5.136 -3.179 -4.642 577 H VAL 74 H VAL 74 5.892 -1.381 -2.757 578 HA VAL 74 HA VAL 74 4.225 1.005 -3.088 579 HB VAL 74 HB VAL 74 4.493 0.843 -0.699 580 1HG1 VAL 74 1HG1 VAL 74 6.679 0.734 0.384 581 2HG1 VAL 74 2HG1 VAL 74 7.459 0.633 -1.192 582 3HG1 VAL 74 3HG1 VAL 74 6.408 -0.672 -0.647 583 1HG2 VAL 74 1HG2 VAL 74 6.443 2.877 -1.775 584 2HG2 VAL 74 2HG2 VAL 74 5.682 2.907 -0.185 585 3HG2 VAL 74 3HG2 VAL 74 4.697 3.090 -1.636 586 H ALA 75 H ALA 75 5.190 2.689 -4.166 587 HA ALA 75 HA ALA 75 7.759 2.087 -5.440 588 1HB ALA 75 1HB ALA 75 7.182 3.876 -7.004 589 2HB ALA 75 2HB ALA 75 5.735 4.237 -6.066 590 3HB ALA 75 3HB ALA 75 5.883 2.687 -6.894 591 H ASP 76 H ASP 76 9.464 3.590 -5.471 592 HA ASP 76 HA ASP 76 9.920 4.865 -2.982 593 1HB ASP 76 2HB ASP 76 11.698 3.815 -4.347 594 2HB ASP 76 1HB ASP 76 11.505 5.083 -5.551 595 H LEU 77 H LEU 77 10.491 6.570 -6.056 596 HA LEU 77 HA LEU 77 8.379 8.454 -5.516 597 1HB LEU 77 2HB LEU 77 9.594 10.415 -5.180 598 2HB LEU 77 1HB LEU 77 10.355 9.244 -4.127 599 HG LEU 77 HG LEU 77 11.470 9.991 -6.832 600 1HD1 LEU 77 1HD1 LEU 77 12.196 11.098 -4.122 601 2HD1 LEU 77 2HD1 LEU 77 11.359 11.972 -5.407 602 3HD1 LEU 77 3HD1 LEU 77 13.024 11.438 -5.643 603 1HD2 LEU 77 1HD2 LEU 77 13.540 9.053 -5.921 604 2HD2 LEU 77 2HD2 LEU 77 12.245 7.856 -5.955 605 3HD2 LEU 77 3HD2 LEU 77 12.693 8.629 -4.434 606 H GLU 78 H GLU 78 11.271 7.813 -7.470 607 HA GLU 78 HA GLU 78 10.536 9.275 -9.741 608 1HB GLU 78 2HB GLU 78 12.781 8.310 -9.333 609 2HB GLU 78 1HB GLU 78 12.115 6.708 -9.596 610 1HG GLU 78 2HG GLU 78 13.205 7.323 -11.589 611 2HG GLU 78 1HG GLU 78 11.474 7.455 -11.900 612 H GLN 79 H GLN 79 9.908 5.952 -8.790 613 HA GLN 79 HA GLN 79 8.605 5.178 -11.183 614 1HB GLN 79 2HB GLN 79 8.282 3.948 -8.438 615 2HB GLN 79 1HB GLN 79 7.986 3.175 -9.984 616 1HG GLN 79 2HG GLN 79 10.017 2.290 -9.488 617 2HG GLN 79 1HG GLN 79 10.528 3.726 -10.373 618 1HE2 GLN 79 1HE2 GLN 79 11.993 2.204 -8.406 619 2HE2 GLN 79 2HE2 GLN 79 12.400 3.305 -7.132 620 H SER 80 H SER 80 7.573 6.748 -8.269 621 HA SER 80 HA SER 80 4.890 6.116 -8.159 622 1HB SER 80 2HB SER 80 6.128 7.357 -6.415 623 2HB SER 80 1HB SER 80 6.152 8.774 -7.464 624 HG SER 80 HG SER 80 4.367 9.157 -6.357 625 H GLU 81 H GLU 81 6.341 8.955 -9.796 626 HA GLU 81 HA GLU 81 3.858 9.923 -10.728 627 1HB GLU 81 2HB GLU 81 5.829 11.366 -10.492 628 2HB GLU 81 1HB GLU 81 6.634 10.482 -11.783 629 1HG GLU 81 2HG GLU 81 5.020 11.252 -13.387 630 2HG GLU 81 1HG GLU 81 4.061 12.012 -12.118 631 H ALA 82 H ALA 82 6.276 7.804 -12.153 632 HA ALA 82 HA ALA 82 5.173 7.737 -14.756 633 1HB ALA 82 1HB ALA 82 6.550 5.737 -15.075 634 2HB ALA 82 2HB ALA 82 6.871 5.686 -13.341 635 3HB ALA 82 3HB ALA 82 7.459 7.039 -14.308 636 H ILE 83 H ILE 83 4.669 5.731 -11.886 637 HA ILE 83 HA ILE 83 2.840 3.937 -13.135 638 HB ILE 83 HB ILE 83 3.230 4.597 -10.207 639 1HG1 ILE 83 2HG1 ILE 83 4.203 2.241 -11.842 640 2HG1 ILE 83 1HG1 ILE 83 5.199 3.614 -11.373 641 1HG2 ILE 83 1HG2 ILE 83 1.004 3.665 -10.641 642 2HG2 ILE 83 2HG2 ILE 83 2.017 2.542 -9.731 643 3HG2 ILE 83 3HG2 ILE 83 1.745 2.287 -11.455 644 1HD1 ILE 83 1HD1 ILE 83 3.898 1.637 -9.513 645 2HD1 ILE 83 2HD1 ILE 83 4.852 3.036 -9.016 646 3HD1 ILE 83 3HD1 ILE 83 5.612 1.728 -9.924 647 H GLY 84 H GLY 84 2.465 6.871 -11.166 648 1HA GLY 84 2HA GLY 84 -0.338 6.919 -11.062 649 2HA GLY 84 1HA GLY 84 0.702 8.335 -10.983 650 H ASP 85 H ASP 85 1.896 8.154 -13.484 651 HA ASP 85 HA ASP 85 0.146 9.504 -15.168 652 1HB ASP 85 2HB ASP 85 2.592 9.527 -15.367 653 2HB ASP 85 1HB ASP 85 2.571 7.860 -15.907 654 H ARG 86 H ARG 86 0.776 6.110 -14.833 655 HA ARG 86 HA ARG 86 -0.197 5.052 -17.199 656 1HB ARG 86 2HB ARG 86 0.723 4.066 -14.814 657 2HB ARG 86 1HB ARG 86 -0.956 3.569 -14.782 658 1HG ARG 86 2HG ARG 86 0.935 2.980 -17.042 659 2HG ARG 86 1HG ARG 86 0.621 1.884 -15.699 660 1HD ARG 86 2HD ARG 86 -1.706 1.719 -16.335 661 2HD ARG 86 1HD ARG 86 -1.467 2.907 -17.621 662 HE ARG 86 HE ARG 86 0.095 1.270 -18.639 663 1HH1 ARG 86 1HH1 ARG 86 -2.439 0.165 -16.486 664 2HH1 ARG 86 2HH1 ARG 86 -2.412 -1.461 -17.082 665 1HH2 ARG 86 1HH2 ARG 86 0.155 -0.873 -19.406 666 2HH2 ARG 86 2HH2 ARG 86 -0.887 -2.077 -18.710 667 H PHE 87 H PHE 87 -1.960 6.225 -14.391 668 HA PHE 87 HA PHE 87 -4.464 5.867 -15.906 669 1HB PHE 87 2HB PHE 87 -5.228 6.096 -13.240 670 2HB PHE 87 1HB PHE 87 -5.212 4.620 -14.197 671 HD1 PHE 87 1HD PHE 87 -3.286 6.643 -11.790 672 HD2 PHE 87 2HD PHE 87 -3.667 2.894 -13.757 673 HE1 PHE 87 1HE PHE 87 -1.621 5.676 -10.261 674 HE2 PHE 87 2HE PHE 87 -2.002 1.916 -12.234 675 HZ PHE 87 HZ PHE 87 -0.976 3.305 -10.482 676 H ASN 88 H ASN 88 -2.327 8.051 -15.222 677 HA ASN 88 HA ASN 88 -2.280 10.311 -15.363 678 1HB ASN 88 2HB ASN 88 -4.192 9.864 -16.993 679 2HB ASN 88 1HB ASN 88 -5.282 10.288 -15.678 680 1HD2 ASN 88 1HD2 ASN 88 -6.097 12.092 -16.671 681 2HD2 ASN 88 2HD2 ASN 88 -5.167 13.523 -16.942 682 H VAL 89 H VAL 89 -2.636 8.962 -12.808 683 HA VAL 89 HA VAL 89 -4.249 10.851 -11.267 684 HB VAL 89 HB VAL 89 -2.820 8.327 -10.404 685 1HG1 VAL 89 1HG1 VAL 89 -2.906 9.968 -8.585 686 2HG1 VAL 89 2HG1 VAL 89 -3.958 8.590 -8.267 687 3HG1 VAL 89 3HG1 VAL 89 -4.649 10.121 -8.808 688 1HG2 VAL 89 1HG2 VAL 89 -5.087 7.434 -10.138 689 2HG2 VAL 89 2HG2 VAL 89 -4.768 7.921 -11.805 690 3HG2 VAL 89 3HG2 VAL 89 -5.750 8.945 -10.759 691 H ARG 90 H ARG 90 -3.360 12.585 -10.382 692 HA ARG 90 HA ARG 90 -0.653 12.473 -9.333 693 1HB ARG 90 2HB ARG 90 -0.176 13.264 -11.540 694 2HB ARG 90 1HB ARG 90 -1.524 14.391 -11.499 695 1HG ARG 90 2HG ARG 90 -0.361 15.669 -9.734 696 2HG ARG 90 1HG ARG 90 1.013 14.572 -9.881 697 1HD ARG 90 2HD ARG 90 0.002 15.889 -12.345 698 2HD ARG 90 1HD ARG 90 0.893 16.878 -11.190 699 HE ARG 90 HE ARG 90 2.655 15.029 -11.420 700 1HH1 ARG 90 1HH1 ARG 90 0.509 16.008 -14.013 701 2HH1 ARG 90 2HH1 ARG 90 1.689 15.726 -15.262 702 1HH2 ARG 90 1HH2 ARG 90 4.197 14.639 -13.045 703 2HH2 ARG 90 2HH2 ARG 90 3.778 14.928 -14.712 704 H ARG 91 H ARG 91 -1.553 12.682 -7.305 705 HA ARG 91 HA ARG 91 -1.421 15.186 -6.183 706 1HB ARG 91 2HB ARG 91 -4.168 14.541 -7.046 707 2HB ARG 91 1HB ARG 91 -4.024 15.006 -5.357 708 1HG ARG 91 2HG ARG 91 -2.690 17.023 -6.251 709 2HG ARG 91 1HG ARG 91 -3.402 16.604 -7.810 710 1HD ARG 91 2HD ARG 91 -4.850 17.329 -5.272 711 2HD ARG 91 1HD ARG 91 -4.776 18.264 -6.765 712 HE ARG 91 HE ARG 91 -5.910 16.029 -7.651 713 1HH1 ARG 91 1HH1 ARG 91 -6.567 17.940 -4.788 714 2HH1 ARG 91 2HH1 ARG 91 -8.241 17.488 -4.715 715 1HH2 ARG 91 1HH2 ARG 91 -8.135 15.429 -7.541 716 2HH2 ARG 91 2HH2 ARG 91 -9.132 16.076 -6.268 717 H PHE 92 H PHE 92 -0.475 14.494 -4.408 718 HA PHE 92 HA PHE 92 -0.159 13.567 -2.365 719 1HB PHE 92 2HB PHE 92 -3.063 12.733 -2.593 720 2HB PHE 92 1HB PHE 92 -2.095 12.658 -1.125 721 HD1 PHE 92 1HD PHE 92 -1.156 14.850 -0.213 722 HD2 PHE 92 2HD PHE 92 -4.232 14.664 -3.148 723 HE1 PHE 92 1HE PHE 92 -1.819 17.152 0.343 724 HE2 PHE 92 2HE PHE 92 -4.901 16.967 -2.599 725 HZ PHE 92 HZ PHE 92 -3.692 18.213 -0.849 726 HA PRO 93 HA PRO 93 0.830 9.249 -2.953 727 1HB PRO 93 2HB PRO 93 0.120 8.639 -0.169 728 2HB PRO 93 1HB PRO 93 1.693 8.550 -0.967 729 1HG PRO 93 2HG PRO 93 1.123 10.438 0.869 730 2HG PRO 93 1HG PRO 93 2.206 10.741 -0.500 731 1HD PRO 93 2HD PRO 93 -0.649 11.543 -0.126 732 2HD PRO 93 1HD PRO 93 0.694 12.454 -0.849 733 H ALA 94 H ALA 94 -0.332 7.574 -3.732 734 HA ALA 94 HA ALA 94 -3.027 7.124 -2.657 735 1HB ALA 94 1HB ALA 94 -3.255 8.494 -4.665 736 2HB ALA 94 2HB ALA 94 -3.919 6.879 -4.918 737 3HB ALA 94 3HB ALA 94 -2.344 7.301 -5.592 738 H THR 95 H THR 95 -3.671 5.011 -2.579 739 HA THR 95 HA THR 95 -1.813 3.017 -3.690 740 HB THR 95 HB THR 95 -3.665 2.559 -1.344 741 HG1 THR 95 1HG THR 95 -2.332 3.863 -0.317 742 1HG2 THR 95 1HG2 THR 95 -2.821 0.570 -2.521 743 2HG2 THR 95 2HG2 THR 95 -2.173 0.683 -0.885 744 3HG2 THR 95 3HG2 THR 95 -1.167 1.127 -2.264 745 H LEU 96 H LEU 96 -2.721 1.989 -5.397 746 HA LEU 96 HA LEU 96 -5.613 2.172 -5.687 747 1HB LEU 96 2HB LEU 96 -3.454 1.392 -7.631 748 2HB LEU 96 1HB LEU 96 -5.161 1.283 -7.999 749 HG LEU 96 HG LEU 96 -5.186 3.808 -7.334 750 1HD1 LEU 96 1HD1 LEU 96 -2.296 3.409 -8.079 751 2HD1 LEU 96 2HD1 LEU 96 -2.913 3.932 -6.511 752 3HD1 LEU 96 3HD1 LEU 96 -3.108 4.966 -7.926 753 1HD2 LEU 96 1HD2 LEU 96 -5.737 2.950 -9.537 754 2HD2 LEU 96 2HD2 LEU 96 -4.022 2.822 -9.930 755 3HD2 LEU 96 3HD2 LEU 96 -4.749 4.407 -9.665 756 H VAL 97 H VAL 97 -6.979 0.484 -5.892 757 HA VAL 97 HA VAL 97 -5.983 -2.015 -4.744 758 HB VAL 97 HB VAL 97 -8.838 -1.084 -5.069 759 1HG1 VAL 97 1HG1 VAL 97 -9.344 -2.854 -3.433 760 2HG1 VAL 97 2HG1 VAL 97 -7.657 -3.367 -3.491 761 3HG1 VAL 97 3HG1 VAL 97 -8.668 -3.497 -4.930 762 1HG2 VAL 97 1HG2 VAL 97 -8.774 -0.593 -2.671 763 2HG2 VAL 97 2HG2 VAL 97 -7.616 0.393 -3.564 764 3HG2 VAL 97 3HG2 VAL 97 -7.057 -0.999 -2.636 765 H PHE 98 H PHE 98 -5.326 -3.371 -6.262 766 HA PHE 98 HA PHE 98 -6.970 -3.750 -8.663 767 1HB PHE 98 2HB PHE 98 -4.169 -4.738 -8.021 768 2HB PHE 98 1HB PHE 98 -5.024 -5.032 -9.531 769 HD1 PHE 98 1HD PHE 98 -3.718 -2.299 -7.377 770 HD2 PHE 98 2HD PHE 98 -4.836 -3.532 -11.291 771 HE1 PHE 98 1HE PHE 98 -2.818 -0.201 -8.292 772 HE2 PHE 98 2HE PHE 98 -3.932 -1.441 -12.208 773 HZ PHE 98 HZ PHE 98 -2.935 0.233 -10.711 774 H THR 99 H THR 99 -8.470 -5.282 -8.430 775 HA THR 99 HA THR 99 -7.761 -7.764 -7.051 776 HB THR 99 HB THR 99 -10.151 -7.724 -6.063 777 HG1 THR 99 1HG THR 99 -9.717 -4.960 -6.596 778 1HG2 THR 99 1HG2 THR 99 -9.388 -6.577 -4.043 779 2HG2 THR 99 2HG2 THR 99 -8.053 -5.859 -4.945 780 3HG2 THR 99 3HG2 THR 99 -8.115 -7.605 -4.703 781 H ASP 100 H ASP 100 -8.933 -9.580 -7.720 782 HA ASP 100 HA ASP 100 -10.140 -10.909 -9.144 783 1HB ASP 100 2HB ASP 100 -11.905 -9.021 -8.749 784 2HB ASP 100 1HB ASP 100 -11.472 -8.507 -10.366 785 H GLY 101 H GLY 101 -7.738 -9.086 -9.851 786 1HA GLY 101 2HA GLY 101 -6.269 -9.212 -11.657 787 2HA GLY 101 1HA GLY 101 -7.555 -9.915 -12.628 788 H LYS 102 H LYS 102 -8.961 -7.289 -11.210 789 HA LYS 102 HA LYS 102 -8.009 -5.491 -13.341 790 1HB LYS 102 2HB LYS 102 -10.376 -4.680 -13.586 791 2HB LYS 102 1HB LYS 102 -10.052 -6.290 -14.201 792 1HG LYS 102 2HG LYS 102 -11.142 -7.307 -12.342 793 2HG LYS 102 1HG LYS 102 -11.275 -5.755 -11.506 794 1HD LYS 102 2HD LYS 102 -12.803 -4.928 -13.170 795 2HD LYS 102 1HD LYS 102 -12.563 -6.362 -14.167 796 1HE LYS 102 2HE LYS 102 -13.671 -6.496 -11.375 797 2HE LYS 102 1HE LYS 102 -14.695 -6.260 -12.790 798 1HZ LYS 102 1HZ LYS 102 -13.822 -8.349 -13.692 799 2HZ LYS 102 2HZ LYS 102 -14.606 -8.579 -12.211 800 3HZ LYS 102 3HZ LYS 102 -12.916 -8.589 -12.280 801 H LEU 103 H LEU 103 -8.713 -3.203 -13.032 802 HA LEU 103 HA LEU 103 -8.037 -2.442 -10.301 803 1HB LEU 103 2HB LEU 103 -6.830 -1.442 -12.201 804 2HB LEU 103 1HB LEU 103 -8.335 -0.788 -12.813 805 HG LEU 103 HG LEU 103 -8.516 0.638 -10.807 806 1HD1 LEU 103 1HD1 LEU 103 -6.582 0.876 -9.321 807 2HD1 LEU 103 2HD1 LEU 103 -5.818 -0.499 -10.121 808 3HD1 LEU 103 3HD1 LEU 103 -7.316 -0.724 -9.216 809 1HD2 LEU 103 1HD2 LEU 103 -7.469 1.499 -12.831 810 2HD2 LEU 103 2HD2 LEU 103 -5.904 0.898 -12.284 811 3HD2 LEU 103 3HD2 LEU 103 -6.719 2.179 -11.387 812 H ARG 104 H ARG 104 -9.540 -1.864 -8.863 813 HA ARG 104 HA ARG 104 -12.214 -1.197 -9.878 814 1HB ARG 104 2HB ARG 104 -11.271 -2.454 -7.330 815 2HB ARG 104 1HB ARG 104 -12.853 -1.690 -7.416 816 1HG ARG 104 2HG ARG 104 -13.473 -3.174 -9.254 817 2HG ARG 104 1HG ARG 104 -11.887 -3.942 -9.165 818 1HD ARG 104 2HD ARG 104 -12.332 -4.780 -6.979 819 2HD ARG 104 1HD ARG 104 -13.808 -3.826 -6.854 820 HE ARG 104 HE ARG 104 -14.642 -5.267 -8.750 821 1HH1 ARG 104 1HH1 ARG 104 -12.165 -6.404 -6.545 822 2HH1 ARG 104 2HH1 ARG 104 -12.657 -8.065 -6.649 823 1HH2 ARG 104 1HH2 ARG 104 -15.297 -7.465 -8.882 824 2HH2 ARG 104 2HH2 ARG 104 -14.422 -8.676 -7.979 825 H GLY 105 H GLY 105 -9.517 0.191 -8.322 826 1HA GLY 105 2HA GLY 105 -10.196 2.773 -8.530 827 2HA GLY 105 1HA GLY 105 -11.084 2.313 -7.085 828 H ALA 106 H ALA 106 -9.742 3.986 -6.079 829 HA ALA 106 HA ALA 106 -7.166 2.872 -5.224 830 1HB ALA 106 1HB ALA 106 -6.713 4.600 -6.888 831 2HB ALA 106 2HB ALA 106 -6.161 5.098 -5.288 832 3HB ALA 106 3HB ALA 106 -7.656 5.760 -5.953 833 H LEU 107 H LEU 107 -6.466 3.566 -3.147 834 HA LEU 107 HA LEU 107 -8.707 4.342 -1.392 835 1HB LEU 107 2HB LEU 107 -7.008 2.143 -1.338 836 2HB LEU 107 1HB LEU 107 -6.332 3.209 -0.126 837 HG LEU 107 HG LEU 107 -7.892 1.558 0.827 838 1HD1 LEU 107 1HD1 LEU 107 -7.568 3.708 1.941 839 2HD1 LEU 107 2HD1 LEU 107 -9.210 3.103 2.165 840 3HD1 LEU 107 3HD1 LEU 107 -8.894 4.394 1.003 841 1HD2 LEU 107 1HD2 LEU 107 -9.952 2.980 -0.845 842 2HD2 LEU 107 2HD2 LEU 107 -10.294 1.783 0.404 843 3HD2 LEU 107 3HD2 LEU 107 -9.406 1.314 -1.046 844 H SER 108 H SER 108 -5.909 5.491 -2.772 845 HA SER 108 HA SER 108 -4.392 7.127 -2.355 846 1HB SER 108 2HB SER 108 -6.430 8.073 -0.320 847 2HB SER 108 1HB SER 108 -5.121 9.034 -1.010 848 HG SER 108 HG SER 108 -7.273 7.874 -2.459 849 H GLY 109 H GLY 109 -3.548 8.396 -0.028 850 1HA GLY 109 2HA GLY 109 -2.364 6.223 1.474 851 2HA GLY 109 1HA GLY 109 -2.057 7.941 1.696 852 H ILE 110 H ILE 110 -5.051 8.311 1.741 853 HA ILE 110 HA ILE 110 -6.655 8.713 3.256 854 HB ILE 110 HB ILE 110 -6.728 6.126 2.930 855 1HG1 ILE 110 2HG1 ILE 110 -8.108 7.453 5.271 856 2HG1 ILE 110 1HG1 ILE 110 -8.617 7.559 3.590 857 1HG2 ILE 110 1HG2 ILE 110 -6.546 4.835 4.997 858 2HG2 ILE 110 2HG2 ILE 110 -5.922 6.257 5.832 859 3HG2 ILE 110 3HG2 ILE 110 -4.991 5.525 4.524 860 1HD1 ILE 110 1HD1 ILE 110 -8.512 5.040 5.233 861 2HD1 ILE 110 2HD1 ILE 110 -9.061 5.171 3.561 862 3HD1 ILE 110 3HD1 ILE 110 -9.961 5.969 4.851 863 H HIS 111 H HIS 111 -7.118 8.264 5.876 864 HA HIS 111 HA HIS 111 -4.855 8.674 7.536 865 1HB HIS 111 2HB HIS 111 -4.970 10.911 6.441 866 2HB HIS 111 1HB HIS 111 -6.597 11.111 7.079 867 HD1 HIS 111 1HD HIS 111 -5.972 13.149 8.507 868 HD2 HIS 111 2HD HIS 111 -3.734 9.748 9.385 869 HE1 HIS 111 1HE HIS 111 -4.752 13.666 10.647 870 HE2 HIS 111 2HE HIS 111 -3.296 11.655 11.086 871 HA PRO 112 HA PRO 112 -8.894 8.645 10.091 872 1HB PRO 112 2HB PRO 112 -11.205 8.775 8.377 873 2HB PRO 112 1HB PRO 112 -10.703 9.924 9.617 874 1HG PRO 112 2HG PRO 112 -10.718 10.463 6.922 875 2HG PRO 112 1HG PRO 112 -9.688 11.293 8.101 876 1HD PRO 112 2HD PRO 112 -9.007 9.069 6.222 877 2HD PRO 112 1HD PRO 112 -8.046 10.490 6.687 878 H TRP 113 H TRP 113 -10.568 6.960 10.513 879 HA TRP 113 HA TRP 113 -10.539 4.776 8.557 880 1HB TRP 113 2HB TRP 113 -8.744 4.422 10.303 881 2HB TRP 113 1HB TRP 113 -10.026 4.320 11.503 882 HD1 TRP 113 HD TRP 113 -12.004 2.308 10.668 883 HE1 TRP 113 1HE TRP 113 -11.436 -0.112 9.996 884 HE3 TRP 113 3HE TRP 113 -7.069 2.924 9.462 885 HZ2 TRP 113 2HZ TRP 113 -9.206 -1.564 9.083 886 HZ3 TRP 113 3HZ TRP 113 -5.792 0.962 8.699 887 HH2 TRP 113 HH TRP 113 -6.839 -1.233 8.515 888 H ALA 114 H ALA 114 -12.685 5.533 8.166 889 HA ALA 114 HA ALA 114 -14.574 4.143 9.906 890 1HB ALA 114 1HB ALA 114 -16.135 6.020 9.967 891 2HB ALA 114 2HB ALA 114 -14.967 7.032 9.116 892 3HB ALA 114 3HB ALA 114 -14.609 6.442 10.739 893 H GLU 115 H GLU 115 -13.956 5.944 6.966 894 HA GLU 115 HA GLU 115 -16.304 4.986 5.612 895 1HB GLU 115 2HB GLU 115 -15.266 6.078 3.608 896 2HB GLU 115 1HB GLU 115 -15.499 7.148 4.979 897 1HG GLU 115 2HG GLU 115 -12.873 5.812 4.383 898 2HG GLU 115 1HG GLU 115 -13.324 7.383 3.724 899 H LEU 116 H LEU 116 -13.057 3.910 6.026 900 HA LEU 116 HA LEU 116 -12.644 2.310 3.815 901 1HB LEU 116 2HB LEU 116 -11.580 2.524 6.487 902 2HB LEU 116 1HB LEU 116 -11.664 0.843 5.992 903 HG LEU 116 HG LEU 116 -10.292 3.027 4.425 904 1HD1 LEU 116 1HD1 LEU 116 -9.143 2.575 6.529 905 2HD1 LEU 116 2HD1 LEU 116 -8.216 1.972 5.156 906 3HD1 LEU 116 3HD1 LEU 116 -9.133 0.849 6.160 907 1HD2 LEU 116 1HD2 LEU 116 -10.302 0.027 4.065 908 2HD2 LEU 116 2HD2 LEU 116 -9.380 1.186 3.108 909 3HD2 LEU 116 3HD2 LEU 116 -11.142 1.190 3.039 910 H LEU 117 H LEU 117 -14.702 1.733 6.586 911 HA LEU 117 HA LEU 117 -15.124 -1.029 6.184 912 1HB LEU 117 2HB LEU 117 -15.767 0.640 8.148 913 2HB LEU 117 1HB LEU 117 -17.286 0.715 7.282 914 HG LEU 117 HG LEU 117 -17.322 -0.905 9.140 915 1HD1 LEU 117 1HD1 LEU 117 -18.273 -2.785 7.920 916 2HD1 LEU 117 2HD1 LEU 117 -17.547 -2.193 6.427 917 3HD1 LEU 117 3HD1 LEU 117 -18.801 -1.251 7.230 918 1HD2 LEU 117 1HD2 LEU 117 -16.045 -2.980 8.972 919 2HD2 LEU 117 2HD2 LEU 117 -14.980 -1.577 9.072 920 3HD2 LEU 117 3HD2 LEU 117 -15.247 -2.372 7.521 921 H THR 118 H THR 118 -16.885 1.844 5.084 922 HA THR 118 HA THR 118 -18.840 0.401 3.597 923 HB THR 118 HB THR 118 -18.033 3.256 3.057 924 HG1 THR 118 1HG THR 118 -18.964 3.888 4.891 925 1HG2 THR 118 1HG2 THR 118 -20.420 3.526 2.592 926 2HG2 THR 118 2HG2 THR 118 -20.699 1.835 3.001 927 3HG2 THR 118 3HG2 THR 118 -19.726 2.251 1.591 928 H LEU 119 H LEU 119 -15.790 2.012 2.792 929 HA LEU 119 HA LEU 119 -15.888 1.730 0.007 930 1HB LEU 119 2HB LEU 119 -13.496 1.723 1.853 931 2HB LEU 119 1HB LEU 119 -13.403 1.872 0.110 932 HG LEU 119 HG LEU 119 -14.729 3.847 1.968 933 1HD1 LEU 119 1HD1 LEU 119 -12.152 4.006 0.413 934 2HD1 LEU 119 2HD1 LEU 119 -12.306 3.869 2.165 935 3HD1 LEU 119 3HD1 LEU 119 -12.878 5.319 1.341 936 1HD2 LEU 119 1HD2 LEU 119 -14.920 5.253 -0.029 937 2HD2 LEU 119 2HD2 LEU 119 -15.836 3.754 -0.196 938 3HD2 LEU 119 3HD2 LEU 119 -14.283 3.934 -1.013 939 H MET 120 H MET 120 -14.606 -0.433 2.503 940 HA MET 120 HA MET 120 -13.651 -2.455 0.835 941 1HB MET 120 2HB MET 120 -13.150 -2.396 3.218 942 2HB MET 120 1HB MET 120 -14.845 -2.631 3.611 943 1HG MET 120 2HG MET 120 -13.397 -4.687 2.002 944 2HG MET 120 1HG MET 120 -13.171 -4.612 3.747 945 1HE MET 120 1HE MET 120 -16.854 -5.169 5.032 946 2HE MET 120 2HE MET 120 -16.045 -3.633 4.723 947 3HE MET 120 3HE MET 120 -15.173 -4.944 5.516 948 H ARG 121 H ARG 121 -16.881 -1.932 2.188 949 HA ARG 121 HA ARG 121 -17.990 -4.334 1.182 950 1HB ARG 121 2HB ARG 121 -18.912 -2.910 3.070 951 2HB ARG 121 1HB ARG 121 -19.505 -1.805 1.838 952 1HG ARG 121 2HG ARG 121 -21.273 -3.287 2.549 953 2HG ARG 121 1HG ARG 121 -20.848 -3.612 0.867 954 1HD ARG 121 2HD ARG 121 -19.368 -5.467 1.714 955 2HD ARG 121 1HD ARG 121 -20.091 -5.217 3.302 956 HE ARG 121 HE ARG 121 -21.768 -5.858 0.963 957 1HH1 ARG 121 1HH1 ARG 121 -20.602 -6.624 4.182 958 2HH1 ARG 121 2HH1 ARG 121 -21.771 -7.886 4.435 959 1HH2 ARG 121 1HH2 ARG 121 -23.280 -7.539 1.303 960 2HH2 ARG 121 2HH2 ARG 121 -23.289 -8.397 2.816 961 H SER 122 H SER 122 -17.538 -1.151 -0.159 962 HA SER 122 HA SER 122 -19.316 -1.520 -2.375 963 1HB SER 122 2HB SER 122 -18.673 0.719 -1.452 964 2HB SER 122 1HB SER 122 -17.050 0.465 -2.087 965 HG SER 122 HG SER 122 -19.231 0.191 -3.837 966 H ILE 123 H ILE 123 -15.854 -1.902 -1.819 967 HA ILE 123 HA ILE 123 -15.236 -2.483 -4.556 968 HB ILE 123 HB ILE 123 -13.629 -2.982 -2.046 969 1HG1 ILE 123 2HG1 ILE 123 -13.422 -0.809 -4.142 970 2HG1 ILE 123 1HG1 ILE 123 -14.110 -0.606 -2.536 971 1HG2 ILE 123 1HG2 ILE 123 -12.752 -3.116 -4.933 972 2HG2 ILE 123 2HG2 ILE 123 -12.927 -4.485 -3.834 973 3HG2 ILE 123 3HG2 ILE 123 -11.701 -3.257 -3.523 974 1HD1 ILE 123 1HD1 ILE 123 -11.864 0.278 -2.628 975 2HD1 ILE 123 2HD1 ILE 123 -11.245 -1.286 -3.157 976 3HD1 ILE 123 3HD1 ILE 123 -11.932 -1.109 -1.541 977 H VAL 124 H VAL 124 -15.603 -4.480 -1.616 978 HA VAL 124 HA VAL 124 -16.048 -6.776 -3.376 979 HB VAL 124 HB VAL 124 -14.881 -8.225 -1.634 980 1HG1 VAL 124 1HG1 VAL 124 -13.949 -7.794 -3.835 981 2HG1 VAL 124 2HG1 VAL 124 -12.666 -7.801 -2.622 982 3HG1 VAL 124 3HG1 VAL 124 -13.263 -6.274 -3.267 983 1HG2 VAL 124 1HG2 VAL 124 -13.146 -7.150 -0.290 984 2HG2 VAL 124 2HG2 VAL 124 -14.746 -6.554 0.155 985 3HG2 VAL 124 3HG2 VAL 124 -13.686 -5.568 -0.848 986 H ASP 125 H ASP 125 -18.261 -6.109 -2.936 987 HA ASP 125 HA ASP 125 -19.461 -6.501 -0.405 988 1HB ASP 125 2HB ASP 125 -20.583 -5.312 -2.256 989 2HB ASP 125 1HB ASP 125 -20.673 -6.817 -3.164 990 H THR 126 H THR 126 -18.861 -8.622 -3.149 991 HA THR 126 HA THR 126 -19.900 -10.975 -1.889 992 HB THR 126 HB THR 126 -18.593 -12.127 -3.759 993 HG1 THR 126 1HG THR 126 -17.176 -10.181 -3.966 994 1HG2 THR 126 1HG2 THR 126 -20.983 -11.632 -3.958 995 2HG2 THR 126 2HG2 THR 126 -20.163 -11.411 -5.505 996 3HG2 THR 126 3HG2 THR 126 -20.604 -10.007 -4.533 997 HA PRO 127 HA PRO 127 -16.402 -11.669 0.781 998 1HB PRO 127 2HB PRO 127 -17.269 -14.496 0.717 999 2HB PRO 127 1HB PRO 127 -17.090 -13.405 2.093 1000 1HG PRO 127 2HG PRO 127 -19.503 -14.122 1.184 1001 2HG PRO 127 1HG PRO 127 -19.194 -12.493 1.814 1002 1HD PRO 127 2HD PRO 127 -19.411 -13.425 -1.022 1003 2HD PRO 127 1HD PRO 127 -20.020 -11.931 -0.280 1004 H ALA 128 H ALA 128 -14.664 -11.411 -0.567 1005 HA ALA 128 HA ALA 128 -13.904 -13.563 -2.372 1006 1HB ALA 128 1HB ALA 128 -13.716 -11.260 -3.168 1007 2HB ALA 128 2HB ALA 128 -12.137 -12.044 -3.115 1008 3HB ALA 128 3HB ALA 128 -12.593 -10.893 -1.858 1009 H ALA 129 H ALA 129 -12.852 -15.207 -1.559 1010 HA ALA 129 HA ALA 129 -11.348 -16.493 -0.469 1011 1HB ALA 129 1HB ALA 129 -9.961 -13.920 0.280 1012 2HB ALA 129 2HB ALA 129 -9.657 -14.862 -1.178 1013 3HB ALA 129 3HB ALA 129 -9.291 -15.546 0.405 1014 H GLN 130 H GLN 130 -10.483 -16.962 1.786 1015 HA GLN 130 HA GLN 130 -12.293 -15.836 3.824 1016 1HB GLN 130 2HB GLN 130 -12.854 -18.196 2.881 1017 2HB GLN 130 1HB GLN 130 -11.460 -18.730 3.804 1018 1HG GLN 130 2HG GLN 130 -13.913 -17.393 4.930 1019 2HG GLN 130 1HG GLN 130 -13.557 -19.115 4.988 1020 1HE2 GLN 130 1HE2 GLN 130 -12.967 -16.023 6.362 1021 2HE2 GLN 130 2HE2 GLN 130 -11.994 -16.564 7.691 1022 H GLU 131 H GLU 131 -10.786 -14.583 4.853 1023 HA GLU 131 HA GLU 131 -8.381 -15.952 5.834 1024 1HB GLU 131 2HB GLU 131 -8.938 -13.091 5.170 1025 2HB GLU 131 1HB GLU 131 -7.713 -13.471 6.375 1026 1HG GLU 131 2HG GLU 131 -7.764 -14.425 3.520 1027 2HG GLU 131 1HG GLU 131 -6.709 -13.182 4.197 1028 H THR 132 H THR 132 -8.373 -16.557 7.858 1029 HA THR 132 HA THR 132 -10.219 -15.302 9.745 1030 HB THR 132 HB THR 132 -8.455 -17.716 10.203 1031 HG1 THR 132 1HG THR 132 -10.181 -17.800 8.468 1032 1HG2 THR 132 1HG2 THR 132 -9.274 -16.607 12.244 1033 2HG2 THR 132 2HG2 THR 132 -10.020 -18.191 12.026 1034 3HG2 THR 132 3HG2 THR 132 -10.926 -16.727 11.637 1035 H VAL 133 H VAL 133 -9.183 -13.347 10.110 1036 HA VAL 133 HA VAL 133 -6.386 -13.278 10.762 1037 HB VAL 133 HB VAL 133 -6.841 -10.810 11.195 1038 1HG1 VAL 133 1HG1 VAL 133 -7.482 -11.972 8.487 1039 2HG1 VAL 133 2HG1 VAL 133 -5.874 -11.624 9.121 1040 3HG1 VAL 133 3HG1 VAL 133 -7.000 -10.306 8.796 1041 1HG2 VAL 133 1HG2 VAL 133 -9.518 -11.552 10.007 1042 2HG2 VAL 133 2HG2 VAL 133 -8.924 -9.909 10.246 1043 3HG2 VAL 133 3HG2 VAL 133 -9.236 -10.946 11.638 1044 H GLN 134 H GLN 134 -6.265 -14.559 12.597 1045 HA GLN 134 HA GLN 134 -7.657 -13.816 15.004 1046 1HB GLN 134 2HB GLN 134 -6.170 -15.573 16.042 1047 2HB GLN 134 1HB GLN 134 -7.209 -16.138 14.743 1048 1HG GLN 134 2HG GLN 134 -5.334 -16.062 13.191 1049 2HG GLN 134 1HG GLN 134 -4.287 -15.457 14.472 1050 1HE2 GLN 134 1HE2 GLN 134 -4.050 -17.871 12.860 1051 2HE2 GLN 134 2HE2 GLN 134 -4.005 -19.191 13.983 Start of MODEL 15 1 1H MET 1 1HT MET 1 20.485 11.595 20.546 2 2H MET 1 2HT MET 1 21.751 10.980 21.486 3 3H MET 1 3HT MET 1 20.175 10.375 21.685 4 HA MET 1 HA MET 1 21.918 10.075 19.309 5 1HB MET 1 2HB MET 1 20.829 8.066 21.295 6 2HB MET 1 1HB MET 1 21.696 7.647 19.825 7 1HG MET 1 2HG MET 1 23.685 8.737 20.628 8 2HG MET 1 1HG MET 1 22.829 9.319 22.053 9 1HE MET 1 1HE MET 1 21.071 6.808 22.858 10 2HE MET 1 2HE MET 1 21.985 7.788 24.005 11 3HE MET 1 3HE MET 1 22.143 6.032 24.027 12 H ALA 2 H ALA 2 20.413 10.958 17.884 13 HA ALA 2 HA ALA 2 17.739 9.869 17.725 14 1HB ALA 2 1HB ALA 2 18.123 12.227 17.207 15 2HB ALA 2 2HB ALA 2 17.470 11.369 15.811 16 3HB ALA 2 3HB ALA 2 19.187 11.769 15.875 17 H ASN 3 H ASN 3 16.936 8.900 15.686 18 HA ASN 3 HA ASN 3 18.840 6.857 14.864 19 1HB ASN 3 2HB ASN 3 16.491 6.296 15.560 20 2HB ASN 3 1HB ASN 3 15.925 7.097 14.098 21 1HD2 ASN 3 1HD2 ASN 3 16.261 6.113 12.094 22 2HD2 ASN 3 2HD2 ASN 3 16.750 4.459 11.958 23 H ASP 4 H ASP 4 20.235 7.961 13.486 24 HA ASP 4 HA ASP 4 19.447 9.530 11.305 25 1HB ASP 4 2HB ASP 4 21.706 9.018 10.357 26 2HB ASP 4 1HB ASP 4 21.744 9.600 12.015 27 H THR 5 H THR 5 18.580 9.072 9.404 28 HA THR 5 HA THR 5 18.412 6.237 8.632 29 HB THR 5 HB THR 5 16.044 8.110 8.566 30 HG1 THR 5 1HG THR 5 16.795 7.592 10.746 31 1HG2 THR 5 1HG2 THR 5 15.945 6.250 6.984 32 2HG2 THR 5 2HG2 THR 5 14.775 6.021 8.284 33 3HG2 THR 5 3HG2 THR 5 16.284 5.111 8.287 34 HA PRO 6 HA PRO 6 19.265 8.275 4.649 35 1HB PRO 6 2HB PRO 6 20.228 5.636 3.885 36 2HB PRO 6 1HB PRO 6 21.119 7.157 3.964 37 1HG PRO 6 2HG PRO 6 21.554 5.090 5.678 38 2HG PRO 6 1HG PRO 6 21.819 6.788 6.114 39 1HD PRO 6 2HD PRO 6 19.509 4.999 6.770 40 2HD PRO 6 1HD PRO 6 20.332 6.201 7.789 41 H PHE 7 H PHE 7 18.101 8.034 2.729 42 HA PHE 7 HA PHE 7 15.562 6.870 2.975 43 1HB PHE 7 2HB PHE 7 17.014 7.821 0.497 44 2HB PHE 7 1HB PHE 7 15.303 7.410 0.557 45 HD1 PHE 7 1HD PHE 7 17.825 9.884 1.367 46 HD2 PHE 7 2HD PHE 7 13.739 8.796 1.838 47 HE1 PHE 7 1HE PHE 7 17.297 12.183 2.065 48 HE2 PHE 7 2HE PHE 7 13.203 11.093 2.535 49 HZ PHE 7 HZ PHE 7 14.980 12.790 2.649 50 H SER 8 H SER 8 18.395 5.825 1.122 51 HA SER 8 HA SER 8 17.168 3.572 -0.055 52 1HB SER 8 2HB SER 8 20.117 3.937 0.515 53 2HB SER 8 1HB SER 8 19.382 2.959 -0.757 54 HG SER 8 HG SER 8 18.393 5.166 -1.341 55 H ALA 9 H ALA 9 18.963 4.006 2.954 56 HA ALA 9 HA ALA 9 19.115 1.237 3.594 57 1HB ALA 9 1HB ALA 9 19.274 3.621 5.436 58 2HB ALA 9 2HB ALA 9 20.632 2.889 4.581 59 3HB ALA 9 3HB ALA 9 19.773 1.973 5.820 60 H LEU 10 H LEU 10 16.893 3.848 4.451 61 HA LEU 10 HA LEU 10 15.235 2.440 6.206 62 1HB LEU 10 2HB LEU 10 15.102 4.858 5.917 63 2HB LEU 10 1HB LEU 10 14.552 4.656 4.266 64 HG LEU 10 HG LEU 10 12.485 3.576 5.123 65 1HD1 LEU 10 1HD1 LEU 10 13.352 2.741 7.240 66 2HD1 LEU 10 2HD1 LEU 10 11.936 3.764 7.493 67 3HD1 LEU 10 3HD1 LEU 10 13.552 4.396 7.818 68 1HD2 LEU 10 1HD2 LEU 10 12.498 5.939 4.574 69 2HD2 LEU 10 2HD2 LEU 10 13.082 6.330 6.191 70 3HD2 LEU 10 3HD2 LEU 10 11.472 5.644 5.978 71 H TRP 11 H TRP 11 15.137 2.786 2.692 72 HA TRP 11 HA TRP 11 12.773 1.428 2.158 73 1HB TRP 11 2HB TRP 11 14.055 2.715 0.487 74 2HB TRP 11 1HB TRP 11 15.304 1.474 0.494 75 HD1 TRP 11 HD TRP 11 15.012 -0.473 -1.175 76 HE1 TRP 11 1HE TRP 11 13.142 -1.229 -2.774 77 HE3 TRP 11 3HE TRP 11 11.299 2.706 0.346 78 HZ2 TRP 11 2HZ TRP 11 10.455 -0.572 -3.318 79 HZ3 TRP 11 3HZ TRP 11 9.111 2.570 -0.766 80 HH2 TRP 11 HH TRP 11 8.702 0.966 -2.557 81 H GLN 12 H GLN 12 16.089 0.125 2.291 82 HA GLN 12 HA GLN 12 15.336 -2.546 1.782 83 1HB GLN 12 2HB GLN 12 17.643 -1.627 1.523 84 2HB GLN 12 1HB GLN 12 17.779 -1.579 3.276 85 1HG GLN 12 2HG GLN 12 17.470 -4.010 3.358 86 2HG GLN 12 1HG GLN 12 17.364 -4.046 1.599 87 1HE2 GLN 12 1HE2 GLN 12 19.236 -5.374 3.364 88 2HE2 GLN 12 2HE2 GLN 12 20.816 -4.841 2.884 89 H ARG 13 H ARG 13 15.611 -0.671 4.734 90 HA ARG 13 HA ARG 13 15.342 -2.855 6.530 91 1HB ARG 13 2HB ARG 13 16.192 -0.505 7.058 92 2HB ARG 13 1HB ARG 13 14.507 -0.008 7.081 93 1HG ARG 13 2HG ARG 13 15.370 -0.448 9.327 94 2HG ARG 13 1HG ARG 13 14.045 -1.537 8.905 95 1HD ARG 13 2HD ARG 13 15.565 -3.329 8.470 96 2HD ARG 13 1HD ARG 13 16.957 -2.256 8.603 97 HE ARG 13 HE ARG 13 16.349 -2.025 11.002 98 1HH1 ARG 13 1HH1 ARG 13 15.295 -4.825 9.191 99 2HH1 ARG 13 2HH1 ARG 13 15.169 -5.851 10.589 100 1HH2 ARG 13 1HH2 ARG 13 16.232 -3.370 12.848 101 2HH2 ARG 13 2HH2 ARG 13 15.740 -5.032 12.666 102 H LEU 14 H LEU 14 13.057 -0.692 4.932 103 HA LEU 14 HA LEU 14 10.722 -1.689 6.209 104 1HB LEU 14 2HB LEU 14 11.077 -0.340 3.532 105 2HB LEU 14 1HB LEU 14 9.523 -0.679 4.270 106 HG LEU 14 HG LEU 14 11.638 1.152 5.411 107 1HD1 LEU 14 1HD1 LEU 14 10.053 2.940 4.858 108 2HD1 LEU 14 2HD1 LEU 14 9.002 1.758 4.074 109 3HD1 LEU 14 3HD1 LEU 14 10.607 2.082 3.418 110 1HD2 LEU 14 1HD2 LEU 14 8.826 0.572 6.342 111 2HD2 LEU 14 2HD2 LEU 14 9.917 1.778 7.026 112 3HD2 LEU 14 3HD2 LEU 14 10.312 0.063 7.147 113 H LEU 15 H LEU 15 12.577 -2.690 3.408 114 HA LEU 15 HA LEU 15 10.755 -4.608 2.431 115 1HB LEU 15 2HB LEU 15 13.767 -4.529 2.251 116 2HB LEU 15 1HB LEU 15 12.739 -5.614 1.335 117 HG LEU 15 HG LEU 15 12.812 -2.607 1.117 118 1HD1 LEU 15 1HD1 LEU 15 14.714 -3.687 0.076 119 2HD1 LEU 15 2HD1 LEU 15 13.619 -3.052 -1.153 120 3HD1 LEU 15 3HD1 LEU 15 13.642 -4.779 -0.797 121 1HD2 LEU 15 1HD2 LEU 15 10.534 -3.466 0.827 122 2HD2 LEU 15 2HD2 LEU 15 11.119 -4.588 -0.404 123 3HD2 LEU 15 3HD2 LEU 15 11.198 -2.849 -0.686 124 H THR 16 H THR 16 12.996 -4.599 5.081 125 HA THR 16 HA THR 16 12.960 -7.420 5.563 126 HB THR 16 HB THR 16 13.462 -5.295 7.649 127 HG1 THR 16 1HG THR 16 14.783 -5.604 5.336 128 1HG2 THR 16 1HG2 THR 16 13.388 -7.597 8.447 129 2HG2 THR 16 2HG2 THR 16 15.032 -6.965 8.534 130 3HG2 THR 16 3HG2 THR 16 14.581 -8.072 7.236 131 H ARG 17 H ARG 17 10.991 -4.691 6.420 132 HA ARG 17 HA ARG 17 9.376 -5.951 8.409 133 1HB ARG 17 2HB ARG 17 9.600 -3.502 8.171 134 2HB ARG 17 1HB ARG 17 8.815 -3.582 6.605 135 1HG ARG 17 2HG ARG 17 7.162 -2.834 8.060 136 2HG ARG 17 1HG ARG 17 6.811 -4.548 7.849 137 1HD ARG 17 2HD ARG 17 7.694 -5.091 9.974 138 2HD ARG 17 1HD ARG 17 8.457 -3.509 10.141 139 HE ARG 17 HE ARG 17 5.536 -3.641 9.970 140 1HH1 ARG 17 1HH1 ARG 17 8.392 -3.156 11.928 141 2HH1 ARG 17 2HH1 ARG 17 7.538 -2.320 13.185 142 1HH2 ARG 17 1HH2 ARG 17 4.401 -2.506 11.606 143 2HH2 ARG 17 2HH2 ARG 17 5.281 -1.950 13.012 144 H GLY 18 H GLY 18 9.457 -5.895 4.960 145 1HA GLY 18 2HA GLY 18 8.228 -8.035 4.167 146 2HA GLY 18 1HA GLY 18 6.817 -7.158 4.746 147 H TRP 19 H TRP 19 5.770 -6.704 2.890 148 HA TRP 19 HA TRP 19 5.167 -5.388 1.142 149 1HB TRP 19 2HB TRP 19 7.774 -4.000 1.759 150 2HB TRP 19 1HB TRP 19 6.664 -3.462 0.504 151 HD1 TRP 19 HD TRP 19 4.598 -4.648 3.277 152 HE1 TRP 19 1HE TRP 19 3.786 -2.683 4.719 153 HE3 TRP 19 3HE TRP 19 7.751 -1.009 1.550 154 HZ2 TRP 19 2HZ TRP 19 4.399 0.047 5.083 155 HZ3 TRP 19 3HZ TRP 19 7.568 1.252 2.500 156 HH2 TRP 19 HH TRP 19 5.927 1.765 4.230 157 H GLN 20 H GLN 20 6.000 -4.586 -1.063 158 HA GLN 20 HA GLN 20 8.017 -6.322 -2.248 159 1HB GLN 20 2HB GLN 20 5.933 -7.580 -2.503 160 2HB GLN 20 1HB GLN 20 5.147 -6.173 -3.206 161 1HG GLN 20 2HG GLN 20 5.711 -7.684 -4.962 162 2HG GLN 20 1HG GLN 20 6.749 -6.267 -5.087 163 1HE2 GLN 20 1HE2 GLN 20 7.226 -8.786 -2.717 164 2HE2 GLN 20 2HE2 GLN 20 8.683 -9.421 -3.399 165 HA PRO 21 HA PRO 21 8.576 -2.228 -4.034 166 1HB PRO 21 2HB PRO 21 10.964 -2.765 -5.217 167 2HB PRO 21 1HB PRO 21 10.803 -2.379 -3.501 168 1HG PRO 21 2HG PRO 21 11.137 -5.035 -4.826 169 2HG PRO 21 1HG PRO 21 11.848 -4.434 -3.318 170 1HD PRO 21 2HD PRO 21 9.696 -6.115 -3.405 171 2HD PRO 21 1HD PRO 21 9.986 -4.960 -2.086 172 H VAL 22 H VAL 22 7.125 -2.009 -5.663 173 HA VAL 22 HA VAL 22 7.464 -3.656 -8.064 174 HB VAL 22 HB VAL 22 5.255 -2.730 -8.769 175 1HG1 VAL 22 1HG1 VAL 22 5.351 -4.192 -6.133 176 2HG1 VAL 22 2HG1 VAL 22 5.396 -4.911 -7.744 177 3HG1 VAL 22 3HG1 VAL 22 3.941 -4.089 -7.188 178 1HG2 VAL 22 1HG2 VAL 22 5.289 -0.670 -7.448 179 2HG2 VAL 22 2HG2 VAL 22 5.198 -1.613 -5.960 180 3HG2 VAL 22 3HG2 VAL 22 3.847 -1.623 -7.095 181 H GLU 23 H GLU 23 6.569 -2.249 -10.072 182 HA GLU 23 HA GLU 23 8.112 0.225 -10.194 183 1HB GLU 23 2HB GLU 23 8.596 -2.147 -12.011 184 2HB GLU 23 1HB GLU 23 9.301 -0.549 -12.225 185 1HG GLU 23 2HG GLU 23 10.481 -0.785 -10.099 186 2HG GLU 23 1HG GLU 23 9.759 -2.379 -9.874 187 H ALA 24 H ALA 24 7.913 1.110 -12.550 188 HA ALA 24 HA ALA 24 5.038 1.061 -13.127 189 1HB ALA 24 1HB ALA 24 6.037 3.221 -12.614 190 2HB ALA 24 2HB ALA 24 5.423 3.176 -14.264 191 3HB ALA 24 3HB ALA 24 7.155 3.033 -13.963 192 H SER 25 H SER 25 8.128 0.301 -14.508 193 HA SER 25 HA SER 25 7.306 0.216 -17.229 194 1HB SER 25 2HB SER 25 9.596 -1.274 -15.935 195 2HB SER 25 1HB SER 25 9.432 -0.859 -17.640 196 HG SER 25 HG SER 25 10.815 0.576 -16.457 197 H THR 26 H THR 26 6.897 -1.941 -14.581 198 HA THR 26 HA THR 26 5.866 -3.992 -16.411 199 HB THR 26 HB THR 26 8.137 -4.659 -15.735 200 HG1 THR 26 1HG THR 26 6.005 -6.183 -14.619 201 1HG2 THR 26 1HG2 THR 26 7.059 -4.628 -12.914 202 2HG2 THR 26 2HG2 THR 26 8.239 -3.495 -13.572 203 3HG2 THR 26 3HG2 THR 26 8.649 -5.202 -13.409 204 H VAL 27 H VAL 27 4.711 -1.900 -14.549 205 HA VAL 27 HA VAL 27 3.715 -3.119 -12.231 206 HB VAL 27 HB VAL 27 3.687 -0.709 -12.444 207 1HG1 VAL 27 1HG1 VAL 27 2.082 0.457 -13.893 208 2HG1 VAL 27 2HG1 VAL 27 1.629 -1.090 -14.611 209 3HG1 VAL 27 3HG1 VAL 27 3.269 -0.472 -14.811 210 1HG2 VAL 27 1HG2 VAL 27 0.890 -1.814 -12.217 211 2HG2 VAL 27 2HG2 VAL 27 1.423 -0.234 -11.642 212 3HG2 VAL 27 3HG2 VAL 27 2.079 -1.702 -10.918 213 H ASP 28 H ASP 28 2.258 -2.794 -15.454 214 HA ASP 28 HA ASP 28 -0.209 -3.977 -14.757 215 1HB ASP 28 2HB ASP 28 -0.390 -4.305 -17.306 216 2HB ASP 28 1HB ASP 28 -0.276 -2.660 -16.689 217 H ASP 29 H ASP 29 2.751 -5.311 -16.149 218 HA ASP 29 HA ASP 29 1.696 -7.880 -16.656 219 1HB ASP 29 2HB ASP 29 3.815 -6.926 -17.642 220 2HB ASP 29 1HB ASP 29 4.594 -7.247 -16.094 221 H TRP 30 H TRP 30 3.280 -6.467 -13.843 222 HA TRP 30 HA TRP 30 3.544 -8.862 -12.363 223 1HB TRP 30 2HB TRP 30 4.759 -6.830 -11.742 224 2HB TRP 30 1HB TRP 30 3.242 -6.016 -11.377 225 HD1 TRP 30 HD TRP 30 5.417 -8.927 -10.066 226 HE1 TRP 30 1HE TRP 30 4.911 -9.249 -7.559 227 HE3 TRP 30 3HE TRP 30 1.634 -5.533 -9.572 228 HZ2 TRP 30 2HZ TRP 30 3.146 -8.183 -5.630 229 HZ3 TRP 30 3HZ TRP 30 0.591 -5.241 -7.361 230 HH2 TRP 30 HH TRP 30 1.334 -6.540 -5.433 231 H ILE 31 H ILE 31 1.009 -6.381 -12.439 232 HA ILE 31 HA ILE 31 -0.706 -7.545 -10.542 233 HB ILE 31 HB ILE 31 -1.445 -5.831 -12.925 234 1HG1 ILE 31 2HG1 ILE 31 -0.979 -4.980 -10.066 235 2HG1 ILE 31 1HG1 ILE 31 0.273 -4.908 -11.302 236 1HG2 ILE 31 1HG2 ILE 31 -2.960 -6.392 -10.374 237 2HG2 ILE 31 2HG2 ILE 31 -3.383 -6.972 -11.985 238 3HG2 ILE 31 3HG2 ILE 31 -3.442 -5.246 -11.627 239 1HD1 ILE 31 1HD1 ILE 31 -1.099 -3.370 -12.599 240 2HD1 ILE 31 2HD1 ILE 31 -0.783 -2.749 -10.979 241 3HD1 ILE 31 3HD1 ILE 31 -2.355 -3.449 -11.365 242 H LYS 32 H LYS 32 -0.244 -8.112 -13.964 243 HA LYS 32 HA LYS 32 -2.442 -9.800 -14.423 244 1HB LYS 32 2HB LYS 32 -1.109 -8.827 -16.222 245 2HB LYS 32 1HB LYS 32 0.302 -9.722 -15.703 246 1HG LYS 32 2HG LYS 32 -2.182 -11.130 -16.616 247 2HG LYS 32 1HG LYS 32 -0.986 -10.536 -17.764 248 1HD LYS 32 2HD LYS 32 -0.573 -12.578 -15.579 249 2HD LYS 32 1HD LYS 32 -0.535 -12.853 -17.320 250 1HE LYS 32 2HE LYS 32 1.405 -11.123 -15.787 251 2HE LYS 32 1HE LYS 32 1.712 -12.776 -16.313 252 1HZ LYS 32 1HZ LYS 32 1.597 -12.113 -18.576 253 2HZ LYS 32 2HZ LYS 32 2.645 -11.035 -17.789 254 3HZ LYS 32 3HZ LYS 32 1.068 -10.553 -18.171 255 H ARG 33 H ARG 33 0.721 -10.368 -13.014 256 HA ARG 33 HA ARG 33 0.529 -13.233 -13.169 257 1HB ARG 33 2HB ARG 33 2.617 -11.559 -13.017 258 2HB ARG 33 1HB ARG 33 2.446 -11.925 -11.310 259 1HG ARG 33 2HG ARG 33 2.659 -14.068 -13.400 260 2HG ARG 33 1HG ARG 33 4.070 -13.341 -12.633 261 1HD ARG 33 2HD ARG 33 3.447 -14.156 -10.501 262 2HD ARG 33 1HD ARG 33 1.832 -14.592 -11.061 263 HE ARG 33 HE ARG 33 3.291 -16.150 -12.615 264 1HH1 ARG 33 1HH1 ARG 33 3.820 -15.454 -9.212 265 2HH1 ARG 33 2HH1 ARG 33 4.355 -17.071 -8.842 266 1HH2 ARG 33 1HH2 ARG 33 4.031 -18.247 -12.131 267 2HH2 ARG 33 2HH2 ARG 33 4.487 -18.652 -10.504 268 H VAL 34 H VAL 34 0.222 -10.805 -10.604 269 HA VAL 34 HA VAL 34 -0.295 -12.873 -8.632 270 HB VAL 34 HB VAL 34 -0.417 -11.030 -7.001 271 1HG1 VAL 34 1HG1 VAL 34 1.711 -12.087 -7.467 272 2HG1 VAL 34 2HG1 VAL 34 1.943 -10.369 -7.153 273 3HG1 VAL 34 3HG1 VAL 34 1.996 -10.978 -8.809 274 1HG2 VAL 34 1HG2 VAL 34 0.164 -8.749 -7.670 275 2HG2 VAL 34 2HG2 VAL 34 -1.330 -9.279 -8.441 276 3HG2 VAL 34 3HG2 VAL 34 0.172 -9.242 -9.364 277 H GLY 35 H GLY 35 -2.100 -10.246 -10.170 278 1HA GLY 35 2HA GLY 35 -4.392 -10.474 -10.744 279 2HA GLY 35 1HA GLY 35 -4.580 -11.611 -9.419 280 H ASP 36 H ASP 36 -3.865 -10.518 -7.252 281 HA ASP 36 HA ASP 36 -5.374 -7.998 -7.074 282 1HB ASP 36 2HB ASP 36 -5.195 -10.170 -4.974 283 2HB ASP 36 1HB ASP 36 -6.169 -8.711 -4.893 284 H GLY 37 H GLY 37 -4.650 -6.457 -5.535 285 1HA GLY 37 2HA GLY 37 -2.665 -6.662 -3.667 286 2HA GLY 37 1HA GLY 37 -1.791 -6.459 -5.178 287 H VAL 38 H VAL 38 -1.109 -4.521 -3.806 288 HA VAL 38 HA VAL 38 -2.769 -2.241 -4.606 289 HB VAL 38 HB VAL 38 -2.258 -1.109 -2.427 290 1HG1 VAL 38 1HG1 VAL 38 -4.461 -2.015 -2.815 291 2HG1 VAL 38 2HG1 VAL 38 -3.998 -2.289 -1.135 292 3HG1 VAL 38 3HG1 VAL 38 -3.926 -3.614 -2.296 293 1HG2 VAL 38 1HG2 VAL 38 -1.656 -2.488 -0.495 294 2HG2 VAL 38 2HG2 VAL 38 -0.386 -2.505 -1.722 295 3HG2 VAL 38 3HG2 VAL 38 -1.471 -3.887 -1.556 296 H ILE 39 H ILE 39 -1.618 -0.422 -5.176 297 HA ILE 39 HA ILE 39 1.318 -0.589 -4.955 298 HB ILE 39 HB ILE 39 -0.370 0.389 -7.258 299 1HG1 ILE 39 2HG1 ILE 39 1.445 -0.869 -8.554 300 2HG1 ILE 39 1HG1 ILE 39 1.957 -1.524 -7.007 301 1HG2 ILE 39 1HG2 ILE 39 2.516 1.116 -6.784 302 2HG2 ILE 39 2HG2 ILE 39 1.141 2.221 -6.760 303 3HG2 ILE 39 3HG2 ILE 39 1.604 1.422 -8.263 304 1HD1 ILE 39 1HD1 ILE 39 -0.727 -1.881 -8.324 305 2HD1 ILE 39 2HD1 ILE 39 -0.306 -2.470 -6.711 306 3HD1 ILE 39 3HD1 ILE 39 0.539 -3.096 -8.127 307 H LEU 40 H LEU 40 2.311 1.117 -4.009 308 HA LEU 40 HA LEU 40 0.710 3.303 -2.993 309 1HB LEU 40 2HB LEU 40 3.650 2.674 -2.749 310 2HB LEU 40 1HB LEU 40 2.904 4.095 -2.047 311 HG LEU 40 HG LEU 40 2.411 1.217 -1.298 312 1HD1 LEU 40 1HD1 LEU 40 4.441 2.247 -0.390 313 2HD1 LEU 40 2HD1 LEU 40 3.248 1.932 0.871 314 3HD1 LEU 40 3HD1 LEU 40 3.474 3.572 0.260 315 1HD2 LEU 40 1HD2 LEU 40 0.838 2.081 0.361 316 2HD2 LEU 40 2HD2 LEU 40 0.291 2.415 -1.283 317 3HD2 LEU 40 3HD2 LEU 40 1.015 3.701 -0.314 318 H LEU 41 H LEU 41 0.763 5.413 -3.667 319 HA LEU 41 HA LEU 41 2.531 6.030 -5.948 320 1HB LEU 41 2HB LEU 41 -0.262 6.997 -5.356 321 2HB LEU 41 1HB LEU 41 0.794 7.822 -6.483 322 HG LEU 41 HG LEU 41 0.932 5.609 -7.748 323 1HD1 LEU 41 1HD1 LEU 41 -0.914 4.061 -7.427 324 2HD1 LEU 41 2HD1 LEU 41 -1.471 5.000 -6.042 325 3HD1 LEU 41 3HD1 LEU 41 0.084 4.169 -5.977 326 1HD2 LEU 41 1HD2 LEU 41 -1.184 6.019 -8.901 327 2HD2 LEU 41 2HD2 LEU 41 -0.337 7.524 -8.544 328 3HD2 LEU 41 3HD2 LEU 41 -1.715 7.035 -7.561 329 H SER 42 H SER 42 4.072 7.409 -5.481 330 HA SER 42 HA SER 42 5.158 9.258 -4.797 331 1HB SER 42 2HB SER 42 2.405 10.158 -3.959 332 2HB SER 42 1HB SER 42 3.844 11.173 -3.844 333 HG SER 42 HG SER 42 3.384 11.663 -5.828 334 H SER 43 H SER 43 6.409 9.787 -3.131 335 HA SER 43 HA SER 43 5.608 8.835 -0.463 336 1HB SER 43 2HB SER 43 8.160 8.906 -0.068 337 2HB SER 43 1HB SER 43 7.532 7.611 -1.087 338 HG SER 43 HG SER 43 8.881 8.333 -2.514 339 H ASP 44 H ASP 44 4.887 11.339 -1.702 340 HA ASP 44 HA ASP 44 6.578 13.387 -0.562 341 1HB ASP 44 2HB ASP 44 3.956 13.566 -2.065 342 2HB ASP 44 1HB ASP 44 4.916 14.952 -1.556 343 HA PRO 45 HA PRO 45 4.392 13.424 3.268 344 1HB PRO 45 2HB PRO 45 5.752 15.908 3.906 345 2HB PRO 45 1HB PRO 45 6.007 14.297 4.579 346 1HG PRO 45 2HG PRO 45 7.821 15.556 2.985 347 2HG PRO 45 1HG PRO 45 7.663 13.792 3.080 348 1HD PRO 45 2HD PRO 45 6.623 15.687 1.003 349 2HD PRO 45 1HD PRO 45 7.358 14.080 0.800 350 H ARG 46 H ARG 46 2.710 14.446 4.264 351 HA ARG 46 HA ARG 46 1.641 16.862 2.961 352 1HB ARG 46 2HB ARG 46 0.290 14.710 2.856 353 2HB ARG 46 1HB ARG 46 0.105 14.834 4.598 354 1HG ARG 46 2HG ARG 46 -1.058 16.966 4.330 355 2HG ARG 46 1HG ARG 46 -0.862 16.852 2.578 356 1HD ARG 46 2HD ARG 46 -2.178 14.789 2.567 357 2HD ARG 46 1HD ARG 46 -2.360 14.893 4.317 358 HE ARG 46 HE ARG 46 -3.321 17.279 3.247 359 1HH1 ARG 46 1HH1 ARG 46 -4.118 13.876 3.129 360 2HH1 ARG 46 2HH1 ARG 46 -5.818 14.137 2.895 361 1HH2 ARG 46 1HH2 ARG 46 -5.539 17.651 2.925 362 2HH2 ARG 46 2HH2 ARG 46 -6.629 16.305 2.773 363 H ARG 47 H ARG 47 3.623 16.437 5.174 364 HA ARG 47 HA ARG 47 4.291 17.432 7.091 365 1HB ARG 47 2HB ARG 47 3.019 19.442 6.191 366 2HB ARG 47 1HB ARG 47 1.681 18.933 7.212 367 1HG ARG 47 2HG ARG 47 3.644 18.924 9.035 368 2HG ARG 47 1HG ARG 47 4.263 20.162 7.944 369 1HD ARG 47 2HD ARG 47 2.978 21.339 9.507 370 2HD ARG 47 1HD ARG 47 1.936 21.202 8.090 371 HE ARG 47 HE ARG 47 1.698 19.353 10.375 372 1HH1 ARG 47 1HH1 ARG 47 0.279 21.630 8.131 373 2HH1 ARG 47 2HH1 ARG 47 -1.352 21.310 8.641 374 1HH2 ARG 47 1HH2 ARG 47 -0.447 18.964 11.091 375 2HH2 ARG 47 2HH2 ARG 47 -1.760 19.826 10.341 376 H THR 48 H THR 48 4.411 16.197 8.816 377 HA THR 48 HA THR 48 2.098 15.742 10.460 378 HB THR 48 HB THR 48 1.622 13.881 9.149 379 HG1 THR 48 1HG THR 48 3.368 12.541 10.888 380 1HG2 THR 48 1HG2 THR 48 3.644 13.928 7.757 381 2HG2 THR 48 2HG2 THR 48 3.273 12.294 8.304 382 3HG2 THR 48 3HG2 THR 48 4.566 13.210 9.077 383 HA PRO 49 HA PRO 49 5.576 15.600 13.272 384 1HB PRO 49 2HB PRO 49 3.974 16.482 15.392 385 2HB PRO 49 1HB PRO 49 4.956 17.497 14.337 386 1HG PRO 49 2HG PRO 49 2.133 17.443 14.505 387 2HG PRO 49 1HG PRO 49 3.113 18.309 13.312 388 1HD PRO 49 2HD PRO 49 1.692 15.712 13.075 389 2HD PRO 49 1HD PRO 49 2.079 16.914 11.823 390 H GLU 50 H GLU 50 2.624 13.857 13.284 391 HA GLU 50 HA GLU 50 3.632 11.745 14.869 392 1HB GLU 50 2HB GLU 50 3.263 13.305 16.704 393 2HB GLU 50 1HB GLU 50 1.591 13.531 16.206 394 1HG GLU 50 2HG GLU 50 1.078 11.238 16.748 395 2HG GLU 50 1HG GLU 50 2.770 10.918 17.126 396 H VAL 51 H VAL 51 0.780 13.365 13.566 397 HA VAL 51 HA VAL 51 -1.037 11.250 13.861 398 HB VAL 51 HB VAL 51 -2.401 12.405 12.136 399 1HG1 VAL 51 1HG1 VAL 51 -1.225 14.182 14.273 400 2HG1 VAL 51 2HG1 VAL 51 -2.552 13.040 14.482 401 3HG1 VAL 51 3HG1 VAL 51 -2.758 14.446 13.440 402 1HG2 VAL 51 1HG2 VAL 51 -0.627 13.223 10.693 403 2HG2 VAL 51 2HG2 VAL 51 -0.030 14.269 11.981 404 3HG2 VAL 51 3HG2 VAL 51 -1.614 14.568 11.265 405 H SER 52 H SER 52 1.541 11.578 11.676 406 HA SER 52 HA SER 52 0.888 9.035 10.466 407 1HB SER 52 2HB SER 52 1.317 11.517 8.768 408 2HB SER 52 1HB SER 52 1.189 9.867 8.153 409 HG SER 52 HG SER 52 -0.909 10.313 9.706 410 H ASP 53 H ASP 53 2.899 9.435 8.377 411 HA ASP 53 HA ASP 53 5.133 9.437 7.974 412 1HB ASP 53 2HB ASP 53 5.472 11.438 9.291 413 2HB ASP 53 1HB ASP 53 5.386 10.519 10.788 414 H ASN 54 H ASN 54 7.074 8.160 8.573 415 HA ASN 54 HA ASN 54 7.950 6.094 8.873 416 1HB ASN 54 2HB ASN 54 6.144 6.160 11.283 417 2HB ASN 54 1HB ASN 54 7.088 4.731 10.890 418 1HD2 ASN 54 1HD2 ASN 54 8.160 8.036 10.370 419 2HD2 ASN 54 2HD2 ASN 54 9.409 8.007 11.566 420 HA PRO 55 HA PRO 55 4.576 4.308 6.402 421 1HB PRO 55 2HB PRO 55 6.799 3.133 4.884 422 2HB PRO 55 1HB PRO 55 5.505 4.201 4.332 423 1HG PRO 55 2HG PRO 55 8.057 5.041 4.541 424 2HG PRO 55 1HG PRO 55 6.682 6.117 4.850 425 1HD PRO 55 2HD PRO 55 8.447 4.688 6.804 426 2HD PRO 55 1HD PRO 55 7.820 6.350 6.860 427 H VAL 56 H VAL 56 3.947 2.865 8.034 428 HA VAL 56 HA VAL 56 5.079 0.171 7.683 429 HB VAL 56 HB VAL 56 4.422 -0.227 10.124 430 1HG1 VAL 56 1HG1 VAL 56 6.590 0.580 10.949 431 2HG1 VAL 56 2HG1 VAL 56 6.753 1.592 9.515 432 3HG1 VAL 56 3HG1 VAL 56 6.743 -0.164 9.358 433 1HG2 VAL 56 1HG2 VAL 56 4.497 1.730 11.595 434 2HG2 VAL 56 2HG2 VAL 56 3.145 1.821 10.467 435 3HG2 VAL 56 3HG2 VAL 56 4.595 2.782 10.182 436 H MET 57 H MET 57 2.366 2.209 8.293 437 HA MET 57 HA MET 57 0.331 0.558 9.008 438 1HB MET 57 2HB MET 57 0.049 2.748 6.946 439 2HB MET 57 1HB MET 57 -1.212 2.115 7.993 440 1HG MET 57 2HG MET 57 -0.580 4.167 8.933 441 2HG MET 57 1HG MET 57 0.170 2.933 9.941 442 1HE MET 57 1HE MET 57 1.810 4.743 11.006 443 2HE MET 57 2HE MET 57 1.043 5.993 10.024 444 3HE MET 57 3HE MET 57 2.800 5.840 10.040 445 H ILE 58 H ILE 58 1.722 0.845 5.795 446 HA ILE 58 HA ILE 58 -0.331 -0.377 4.328 447 HB ILE 58 HB ILE 58 2.629 -0.465 3.709 448 1HG1 ILE 58 2HG1 ILE 58 1.900 1.841 4.053 449 2HG1 ILE 58 1HG1 ILE 58 2.197 1.554 2.338 450 1HG2 ILE 58 1HG2 ILE 58 1.335 -2.025 2.364 451 2HG2 ILE 58 2HG2 ILE 58 1.905 -0.684 1.372 452 3HG2 ILE 58 3HG2 ILE 58 0.225 -0.737 1.904 453 1HD1 ILE 58 1HD1 ILE 58 -0.500 1.592 3.673 454 2HD1 ILE 58 2HD1 ILE 58 -0.189 1.337 1.956 455 3HD1 ILE 58 3HD1 ILE 58 0.198 2.887 2.701 456 H ALA 59 H ALA 59 2.305 -1.734 6.219 457 HA ALA 59 HA ALA 59 1.897 -4.429 5.278 458 1HB ALA 59 1HB ALA 59 3.452 -3.446 7.667 459 2HB ALA 59 2HB ALA 59 4.100 -3.685 6.044 460 3HB ALA 59 3HB ALA 59 3.519 -5.067 6.974 461 H GLU 60 H GLU 60 1.114 -2.601 8.194 462 HA GLU 60 HA GLU 60 -0.040 -4.751 9.604 463 1HB GLU 60 2HB GLU 60 0.011 -1.787 9.907 464 2HB GLU 60 1HB GLU 60 -1.163 -2.701 10.841 465 1HG GLU 60 2HG GLU 60 0.941 -2.251 12.055 466 2HG GLU 60 1HG GLU 60 0.563 -3.965 11.913 467 H LEU 61 H LEU 61 -1.317 -2.484 7.285 468 HA LEU 61 HA LEU 61 -4.049 -2.801 7.564 469 1HB LEU 61 2HB LEU 61 -2.459 -1.550 5.793 470 2HB LEU 61 1HB LEU 61 -2.917 -2.925 4.815 471 HG LEU 61 HG LEU 61 -4.330 -0.987 4.358 472 1HD1 LEU 61 1HD1 LEU 61 -6.512 -2.043 4.616 473 2HD1 LEU 61 2HD1 LEU 61 -5.827 -3.189 5.768 474 3HD1 LEU 61 3HD1 LEU 61 -5.297 -3.208 4.086 475 1HD2 LEU 61 1HD2 LEU 61 -5.897 -0.166 6.056 476 2HD2 LEU 61 2HD2 LEU 61 -4.216 0.108 6.518 477 3HD2 LEU 61 3HD2 LEU 61 -5.132 -1.209 7.254 478 H LEU 62 H LEU 62 -1.689 -4.912 6.023 479 HA LEU 62 HA LEU 62 -3.524 -6.796 4.971 480 1HB LEU 62 2HB LEU 62 -1.218 -6.573 4.175 481 2HB LEU 62 1HB LEU 62 -0.618 -7.114 5.727 482 HG LEU 62 HG LEU 62 -1.683 -9.316 5.347 483 1HD1 LEU 62 1HD1 LEU 62 -3.468 -8.623 3.846 484 2HD1 LEU 62 2HD1 LEU 62 -2.485 -9.888 3.111 485 3HD1 LEU 62 3HD1 LEU 62 -2.283 -8.211 2.608 486 1HD2 LEU 62 1HD2 LEU 62 0.222 -8.400 3.196 487 2HD2 LEU 62 2HD2 LEU 62 -0.096 -10.078 3.635 488 3HD2 LEU 62 3HD2 LEU 62 0.657 -8.990 4.801 489 H ARG 63 H ARG 63 -1.930 -6.454 8.070 490 HA ARG 63 HA ARG 63 -2.406 -9.051 9.064 491 1HB ARG 63 2HB ARG 63 -2.170 -6.468 10.619 492 2HB ARG 63 1HB ARG 63 -2.036 -8.085 11.294 493 1HG ARG 63 2HG ARG 63 -0.042 -8.463 9.880 494 2HG ARG 63 1HG ARG 63 -0.159 -6.788 9.331 495 1HD ARG 63 2HD ARG 63 0.040 -6.038 11.674 496 2HD ARG 63 1HD ARG 63 0.240 -7.717 12.174 497 HE ARG 63 HE ARG 63 2.160 -6.100 10.643 498 1HH1 ARG 63 1HH1 ARG 63 1.371 -9.009 12.439 499 2HH1 ARG 63 2HH1 ARG 63 3.007 -9.602 12.448 500 1HH2 ARG 63 1HH2 ARG 63 4.320 -6.869 10.673 501 2HH2 ARG 63 2HH2 ARG 63 4.681 -8.373 11.469 502 H GLU 64 H GLU 64 -4.374 -6.156 8.956 503 HA GLU 64 HA GLU 64 -6.414 -7.486 10.575 504 1HB GLU 64 2HB GLU 64 -5.970 -4.571 9.941 505 2HB GLU 64 1HB GLU 64 -7.342 -5.190 10.842 506 1HG GLU 64 2HG GLU 64 -5.677 -6.188 12.453 507 2HG GLU 64 1HG GLU 64 -4.450 -5.231 11.628 508 H PHE 65 H PHE 65 -5.877 -7.780 7.579 509 HA PHE 65 HA PHE 65 -8.602 -7.061 6.720 510 1HB PHE 65 2HB PHE 65 -6.218 -6.515 5.412 511 2HB PHE 65 1HB PHE 65 -6.822 -7.941 4.579 512 HD1 PHE 65 1HD PHE 65 -7.946 -4.606 5.780 513 HD2 PHE 65 2HD PHE 65 -8.340 -7.683 2.866 514 HE1 PHE 65 1HE PHE 65 -9.490 -3.186 4.496 515 HE2 PHE 65 2HE PHE 65 -9.884 -6.268 1.577 516 HZ PHE 65 HZ PHE 65 -10.458 -4.013 2.390 517 HA PRO 66 HA PRO 66 -8.732 -11.599 6.997 518 1HB PRO 66 2HB PRO 66 -11.068 -11.824 8.260 519 2HB PRO 66 1HB PRO 66 -9.616 -11.307 9.124 520 1HG PRO 66 2HG PRO 66 -11.914 -9.683 8.144 521 2HG PRO 66 1HG PRO 66 -10.965 -9.506 9.629 522 1HD PRO 66 2HD PRO 66 -10.619 -8.030 7.274 523 2HD PRO 66 1HD PRO 66 -9.457 -8.146 8.609 524 H GLN 67 H GLN 67 -10.096 -9.448 5.032 525 HA GLN 67 HA GLN 67 -12.423 -10.803 4.102 526 1HB GLN 67 2HB GLN 67 -10.722 -8.675 2.788 527 2HB GLN 67 1HB GLN 67 -12.274 -9.227 2.181 528 1HG GLN 67 2HG GLN 67 -11.797 -7.871 4.827 529 2HG GLN 67 1HG GLN 67 -12.475 -7.120 3.382 530 1HE2 GLN 67 1HE2 GLN 67 -14.581 -7.637 2.756 531 2HE2 GLN 67 2HE2 GLN 67 -15.686 -8.439 3.818 532 H PHE 68 H PHE 68 -9.040 -10.695 3.139 533 HA PHE 68 HA PHE 68 -9.000 -13.250 2.028 534 1HB PHE 68 2HB PHE 68 -8.698 -12.698 -0.378 535 2HB PHE 68 1HB PHE 68 -10.330 -12.428 0.204 536 HD1 PHE 68 1HD PHE 68 -8.471 -9.728 1.438 537 HD2 PHE 68 2HD PHE 68 -10.065 -11.292 -2.198 538 HE1 PHE 68 1HE PHE 68 -8.447 -7.475 0.450 539 HE2 PHE 68 2HE PHE 68 -10.033 -9.044 -3.179 540 HZ PHE 68 HZ PHE 68 -9.235 -7.134 -1.859 541 H ASP 69 H ASP 69 -6.985 -13.212 0.268 542 HA ASP 69 HA ASP 69 -4.854 -11.739 1.657 543 1HB ASP 69 2HB ASP 69 -4.921 -14.533 0.566 544 2HB ASP 69 1HB ASP 69 -3.392 -13.671 0.685 545 H TRP 70 H TRP 70 -3.767 -10.343 0.496 546 HA TRP 70 HA TRP 70 -3.403 -10.826 -2.361 547 1HB TRP 70 2HB TRP 70 -3.647 -8.355 -2.771 548 2HB TRP 70 1HB TRP 70 -5.139 -9.188 -2.369 549 HD1 TRP 70 HD TRP 70 -3.192 -8.529 0.737 550 HE1 TRP 70 1HE TRP 70 -4.166 -6.496 1.981 551 HE3 TRP 70 3HE TRP 70 -6.226 -6.696 -2.950 552 HZ2 TRP 70 2HZ TRP 70 -5.971 -4.390 1.465 553 HZ3 TRP 70 3HZ TRP 70 -7.539 -4.666 -2.493 554 HH2 TRP 70 HH TRP 70 -7.414 -3.537 -0.333 555 H GLN 71 H GLN 71 -1.662 -9.164 -3.192 556 HA GLN 71 HA GLN 71 0.570 -9.491 -1.341 557 1HB GLN 71 2HB GLN 71 1.590 -8.446 -3.717 558 2HB GLN 71 1HB GLN 71 1.657 -10.118 -3.186 559 1HG GLN 71 2HG GLN 71 -0.661 -9.012 -4.731 560 2HG GLN 71 1HG GLN 71 0.774 -9.672 -5.514 561 1HE2 GLN 71 1HE2 GLN 71 -2.016 -10.563 -5.543 562 2HE2 GLN 71 2HE2 GLN 71 -1.984 -12.219 -5.025 563 H VAL 72 H VAL 72 1.316 -7.885 -0.201 564 HA VAL 72 HA VAL 72 0.441 -5.181 -0.664 565 HB VAL 72 HB VAL 72 0.589 -5.858 1.622 566 1HG1 VAL 72 1HG1 VAL 72 2.178 -7.679 1.436 567 2HG1 VAL 72 2HG1 VAL 72 2.701 -6.548 2.685 568 3HG1 VAL 72 3HG1 VAL 72 3.483 -6.539 1.103 569 1HG2 VAL 72 1HG2 VAL 72 2.087 -4.186 2.565 570 2HG2 VAL 72 2HG2 VAL 72 1.219 -3.548 1.169 571 3HG2 VAL 72 3HG2 VAL 72 2.906 -4.034 1.011 572 H ALA 73 H ALA 73 1.384 -3.915 -2.114 573 HA ALA 73 HA ALA 73 4.267 -4.249 -2.590 574 1HB ALA 73 1HB ALA 73 2.156 -3.638 -4.654 575 2HB ALA 73 2HB ALA 73 2.985 -5.180 -4.449 576 3HB ALA 73 3HB ALA 73 3.890 -3.750 -4.948 577 H VAL 74 H VAL 74 5.410 -2.373 -3.255 578 HA VAL 74 HA VAL 74 4.086 0.186 -2.736 579 HB VAL 74 HB VAL 74 5.832 0.901 -1.174 580 1HG1 VAL 74 1HG1 VAL 74 5.201 -0.458 0.760 581 2HG1 VAL 74 2HG1 VAL 74 4.522 -1.676 -0.320 582 3HG1 VAL 74 3HG1 VAL 74 3.802 -0.068 -0.243 583 1HG2 VAL 74 1HG2 VAL 74 7.435 -0.696 -0.248 584 2HG2 VAL 74 2HG2 VAL 74 7.652 -0.519 -1.990 585 3HG2 VAL 74 3HG2 VAL 74 6.834 -1.942 -1.343 586 H ALA 75 H ALA 75 5.372 2.025 -3.394 587 HA ALA 75 HA ALA 75 7.365 1.349 -5.451 588 1HB ALA 75 1HB ALA 75 6.691 3.380 -6.637 589 2HB ALA 75 2HB ALA 75 5.485 3.714 -5.394 590 3HB ALA 75 3HB ALA 75 5.323 2.288 -6.419 591 H ASP 76 H ASP 76 9.070 2.994 -5.764 592 HA ASP 76 HA ASP 76 10.098 3.724 -3.163 593 1HB ASP 76 2HB ASP 76 11.398 2.642 -5.132 594 2HB ASP 76 1HB ASP 76 11.487 4.280 -5.770 595 H LEU 77 H LEU 77 10.427 5.623 -6.156 596 HA LEU 77 HA LEU 77 8.906 7.809 -5.076 597 1HB LEU 77 2HB LEU 77 10.565 9.400 -4.723 598 2HB LEU 77 1HB LEU 77 11.217 7.954 -3.986 599 HG LEU 77 HG LEU 77 12.002 8.941 -6.731 600 1HD1 LEU 77 1HD1 LEU 77 14.077 9.696 -5.644 601 2HD1 LEU 77 2HD1 LEU 77 13.369 9.322 -4.072 602 3HD1 LEU 77 3HD1 LEU 77 12.656 10.579 -5.084 603 1HD2 LEU 77 1HD2 LEU 77 13.284 6.903 -4.910 604 2HD2 LEU 77 2HD2 LEU 77 13.886 7.423 -6.486 605 3HD2 LEU 77 3HD2 LEU 77 12.360 6.545 -6.371 606 H GLU 78 H GLU 78 11.129 6.665 -7.564 607 HA GLU 78 HA GLU 78 10.431 8.739 -9.413 608 1HB GLU 78 2HB GLU 78 12.648 7.620 -9.367 609 2HB GLU 78 1HB GLU 78 11.872 6.148 -9.924 610 1HG GLU 78 2HG GLU 78 11.308 7.123 -12.009 611 2HG GLU 78 1HG GLU 78 11.779 8.729 -11.451 612 H GLN 79 H GLN 79 9.413 5.481 -8.763 613 HA GLN 79 HA GLN 79 8.071 4.933 -11.164 614 1HB GLN 79 2HB GLN 79 7.568 3.903 -8.365 615 2HB GLN 79 1HB GLN 79 6.795 3.258 -9.803 616 1HG GLN 79 2HG GLN 79 8.583 1.810 -9.238 617 2HG GLN 79 1HG GLN 79 9.058 2.694 -10.685 618 1HE2 GLN 79 1HE2 GLN 79 11.240 2.285 -10.287 619 2HE2 GLN 79 2HE2 GLN 79 12.108 3.109 -9.037 620 H SER 80 H SER 80 7.163 6.812 -8.377 621 HA SER 80 HA SER 80 4.425 6.815 -8.438 622 1HB SER 80 2HB SER 80 6.103 9.284 -7.992 623 2HB SER 80 1HB SER 80 4.535 8.900 -7.278 624 HG SER 80 HG SER 80 6.683 8.490 -6.084 625 H GLU 81 H GLU 81 6.583 8.963 -10.294 626 HA GLU 81 HA GLU 81 4.543 10.409 -11.574 627 1HB GLU 81 2HB GLU 81 6.842 11.206 -11.509 628 2HB GLU 81 1HB GLU 81 7.366 9.844 -12.488 629 1HG GLU 81 2HG GLU 81 5.978 10.664 -14.343 630 2HG GLU 81 1HG GLU 81 5.515 12.052 -13.362 631 H ALA 82 H ALA 82 6.381 7.567 -12.641 632 HA ALA 82 HA ALA 82 5.195 7.517 -15.226 633 1HB ALA 82 1HB ALA 82 7.428 6.632 -14.825 634 2HB ALA 82 2HB ALA 82 6.371 5.403 -15.519 635 3HB ALA 82 3HB ALA 82 6.751 5.368 -13.796 636 H ILE 83 H ILE 83 4.512 5.843 -12.188 637 HA ILE 83 HA ILE 83 2.582 4.053 -13.266 638 HB ILE 83 HB ILE 83 2.945 5.078 -10.441 639 1HG1 ILE 83 2HG1 ILE 83 3.620 2.424 -11.730 640 2HG1 ILE 83 1HG1 ILE 83 4.777 3.692 -11.348 641 1HG2 ILE 83 1HG2 ILE 83 1.456 3.272 -9.730 642 2HG2 ILE 83 2HG2 ILE 83 1.164 2.846 -11.417 643 3HG2 ILE 83 3HG2 ILE 83 0.617 4.403 -10.796 644 1HD1 ILE 83 1HD1 ILE 83 3.131 2.147 -9.361 645 2HD1 ILE 83 2HD1 ILE 83 4.280 3.427 -8.973 646 3HD1 ILE 83 3HD1 ILE 83 4.846 1.922 -9.699 647 H GLY 84 H GLY 84 2.315 7.196 -11.628 648 1HA GLY 84 2HA GLY 84 -0.495 7.423 -11.858 649 2HA GLY 84 1HA GLY 84 0.626 8.754 -11.614 650 H ASP 85 H ASP 85 2.097 8.108 -14.080 651 HA ASP 85 HA ASP 85 0.534 9.680 -15.893 652 1HB ASP 85 2HB ASP 85 3.026 9.759 -15.686 653 2HB ASP 85 1HB ASP 85 3.097 8.169 -16.423 654 H ARG 86 H ARG 86 1.303 6.334 -15.492 655 HA ARG 86 HA ARG 86 0.770 5.211 -17.945 656 1HB ARG 86 2HB ARG 86 1.629 4.042 -15.924 657 2HB ARG 86 1HB ARG 86 0.008 4.059 -15.259 658 1HG ARG 86 2HG ARG 86 0.503 1.890 -16.175 659 2HG ARG 86 1HG ARG 86 -0.759 2.666 -17.130 660 1HD ARG 86 2HD ARG 86 0.649 3.022 -18.936 661 2HD ARG 86 1HD ARG 86 2.107 2.911 -17.951 662 HE ARG 86 HE ARG 86 1.325 0.439 -17.739 663 1HH1 ARG 86 1HH1 ARG 86 1.001 2.443 -20.599 664 2HH1 ARG 86 2HH1 ARG 86 1.234 1.116 -21.700 665 1HH2 ARG 86 1HH2 ARG 86 1.618 -1.299 -19.174 666 2HH2 ARG 86 2HH2 ARG 86 1.572 -1.007 -20.895 667 H PHE 87 H PHE 87 -1.577 6.045 -15.412 668 HA PHE 87 HA PHE 87 -3.697 5.734 -17.424 669 1HB PHE 87 2HB PHE 87 -5.083 4.961 -15.275 670 2HB PHE 87 1HB PHE 87 -4.219 3.825 -16.303 671 HD1 PHE 87 1HD PHE 87 -3.895 5.814 -13.186 672 HD2 PHE 87 2HD PHE 87 -2.573 2.453 -15.428 673 HE1 PHE 87 1HE PHE 87 -2.603 5.036 -11.246 674 HE2 PHE 87 2HE PHE 87 -1.280 1.660 -13.487 675 HZ PHE 87 HZ PHE 87 -1.294 2.955 -11.393 676 H ASN 88 H ASN 88 -2.199 7.963 -15.896 677 HA ASN 88 HA ASN 88 -2.636 10.125 -15.399 678 1HB ASN 88 2HB ASN 88 -4.010 10.126 -17.408 679 2HB ASN 88 1HB ASN 88 -5.380 9.494 -16.502 680 1HD2 ASN 88 1HD2 ASN 88 -6.679 11.232 -17.028 681 2HD2 ASN 88 2HD2 ASN 88 -6.456 12.805 -16.344 682 H VAL 89 H VAL 89 -2.331 9.516 -13.196 683 HA VAL 89 HA VAL 89 -4.708 10.177 -11.591 684 HB VAL 89 HB VAL 89 -2.642 8.072 -10.887 685 1HG1 VAL 89 1HG1 VAL 89 -4.985 9.065 -9.267 686 2HG1 VAL 89 2HG1 VAL 89 -3.283 9.356 -8.908 687 3HG1 VAL 89 3HG1 VAL 89 -3.933 7.717 -8.838 688 1HG2 VAL 89 1HG2 VAL 89 -4.311 7.276 -12.468 689 2HG2 VAL 89 2HG2 VAL 89 -5.602 7.848 -11.412 690 3HG2 VAL 89 3HG2 VAL 89 -4.553 6.531 -10.888 691 H ARG 90 H ARG 90 -4.280 11.472 -9.772 692 HA ARG 90 HA ARG 90 -2.209 13.341 -9.990 693 1HB ARG 90 2HB ARG 90 -3.990 12.581 -7.684 694 2HB ARG 90 1HB ARG 90 -2.854 13.918 -7.601 695 1HG ARG 90 2HG ARG 90 -5.008 13.713 -9.685 696 2HG ARG 90 1HG ARG 90 -5.224 14.527 -8.135 697 1HD ARG 90 2HD ARG 90 -3.301 15.985 -8.685 698 2HD ARG 90 1HD ARG 90 -3.212 15.219 -10.270 699 HE ARG 90 HE ARG 90 -5.698 16.039 -10.360 700 1HH1 ARG 90 1HH1 ARG 90 -2.908 17.753 -9.082 701 2HH1 ARG 90 2HH1 ARG 90 -3.572 19.326 -9.412 702 1HH2 ARG 90 1HH2 ARG 90 -6.565 18.102 -10.768 703 2HH2 ARG 90 2HH2 ARG 90 -5.649 19.519 -10.346 704 H ARG 91 H ARG 91 -0.215 13.552 -9.084 705 HA ARG 91 HA ARG 91 0.973 11.220 -7.851 706 1HB ARG 91 2HB ARG 91 2.101 13.919 -8.602 707 2HB ARG 91 1HB ARG 91 3.048 12.649 -7.838 708 1HG ARG 91 2HG ARG 91 2.817 11.227 -9.722 709 2HG ARG 91 1HG ARG 91 1.606 12.287 -10.449 710 1HD ARG 91 2HD ARG 91 4.494 13.007 -9.948 711 2HD ARG 91 1HD ARG 91 3.805 12.545 -11.506 712 HE ARG 91 HE ARG 91 2.246 14.604 -10.868 713 1HH1 ARG 91 1HH1 ARG 91 5.725 14.270 -10.639 714 2HH1 ARG 91 2HH1 ARG 91 6.036 15.964 -10.929 715 1HH2 ARG 91 1HH2 ARG 91 2.648 16.831 -11.236 716 2HH2 ARG 91 2HH2 ARG 91 4.281 17.423 -11.249 717 H PHE 92 H PHE 92 -0.475 11.345 -5.993 718 HA PHE 92 HA PHE 92 0.768 12.946 -3.877 719 1HB PHE 92 2HB PHE 92 -2.198 12.646 -4.395 720 2HB PHE 92 1HB PHE 92 -1.554 13.142 -2.833 721 HD1 PHE 92 1HD PHE 92 -2.420 14.179 -6.168 722 HD2 PHE 92 2HD PHE 92 -0.245 15.261 -2.674 723 HE1 PHE 92 1HE PHE 92 -2.356 16.517 -6.935 724 HE2 PHE 92 2HE PHE 92 -0.179 17.599 -3.432 725 HZ PHE 92 HZ PHE 92 -1.236 18.229 -5.568 726 HA PRO 93 HA PRO 93 1.190 9.173 -1.700 727 1HB PRO 93 2HB PRO 93 0.330 9.904 0.833 728 2HB PRO 93 1HB PRO 93 1.955 10.167 0.196 729 1HG PRO 93 2HG PRO 93 -0.347 12.065 0.355 730 2HG PRO 93 1HG PRO 93 1.379 12.365 0.639 731 1HD PRO 93 2HD PRO 93 0.201 13.112 -1.644 732 2HD PRO 93 1HD PRO 93 1.857 12.472 -1.635 733 H ALA 94 H ALA 94 -0.288 7.816 -2.562 734 HA ALA 94 HA ALA 94 -2.703 7.347 -1.019 735 1HB ALA 94 1HB ALA 94 -4.150 7.303 -2.990 736 2HB ALA 94 2HB ALA 94 -2.803 7.831 -3.999 737 3HB ALA 94 3HB ALA 94 -3.446 8.903 -2.755 738 H THR 95 H THR 95 -3.864 5.353 -2.106 739 HA THR 95 HA THR 95 -1.845 3.462 -3.092 740 HB THR 95 HB THR 95 -3.904 2.710 -1.015 741 HG1 THR 95 1HG THR 95 -1.491 4.007 -0.730 742 1HG2 THR 95 1HG2 THR 95 -1.364 1.365 -1.960 743 2HG2 THR 95 2HG2 THR 95 -3.006 0.877 -2.376 744 3HG2 THR 95 3HG2 THR 95 -2.447 0.756 -0.708 745 H LEU 96 H LEU 96 -2.558 2.307 -4.797 746 HA LEU 96 HA LEU 96 -5.351 2.635 -5.583 747 1HB LEU 96 2HB LEU 96 -2.984 1.462 -7.039 748 2HB LEU 96 1HB LEU 96 -4.605 1.535 -7.695 749 HG LEU 96 HG LEU 96 -2.937 3.934 -6.942 750 1HD1 LEU 96 1HD1 LEU 96 -2.806 4.291 -9.370 751 2HD1 LEU 96 2HD1 LEU 96 -3.597 2.735 -9.626 752 3HD1 LEU 96 3HD1 LEU 96 -2.009 2.803 -8.861 753 1HD2 LEU 96 1HD2 LEU 96 -5.326 4.351 -6.716 754 2HD2 LEU 96 2HD2 LEU 96 -5.601 3.728 -8.342 755 3HD2 LEU 96 3HD2 LEU 96 -4.670 5.208 -8.111 756 H VAL 97 H VAL 97 -6.772 0.953 -5.884 757 HA VAL 97 HA VAL 97 -6.065 -1.515 -4.457 758 HB VAL 97 HB VAL 97 -8.815 -0.588 -5.292 759 1HG1 VAL 97 1HG1 VAL 97 -9.605 -2.214 -3.661 760 2HG1 VAL 97 2HG1 VAL 97 -7.941 -2.656 -3.280 761 3HG1 VAL 97 3HG1 VAL 97 -8.598 -2.989 -4.883 762 1HG2 VAL 97 1HG2 VAL 97 -7.910 1.052 -3.778 763 2HG2 VAL 97 2HG2 VAL 97 -7.404 -0.214 -2.659 764 3HG2 VAL 97 3HG2 VAL 97 -9.120 0.083 -2.940 765 H PHE 98 H PHE 98 -5.464 -3.170 -5.700 766 HA PHE 98 HA PHE 98 -6.751 -3.463 -8.329 767 1HB PHE 98 2HB PHE 98 -4.045 -4.436 -7.379 768 2HB PHE 98 1HB PHE 98 -4.756 -4.838 -8.941 769 HD1 PHE 98 1HD PHE 98 -3.345 -2.142 -6.889 770 HD2 PHE 98 2HD PHE 98 -4.814 -3.256 -10.722 771 HE1 PHE 98 1HE PHE 98 -2.434 -0.065 -7.841 772 HE2 PHE 98 2HE PHE 98 -3.898 -1.183 -11.671 773 HZ PHE 98 HZ PHE 98 -2.721 0.417 -10.237 774 H THR 99 H THR 99 -8.197 -4.968 -8.420 775 HA THR 99 HA THR 99 -7.850 -7.484 -7.001 776 HB THR 99 HB THR 99 -10.413 -7.233 -6.413 777 HG1 THR 99 1HG THR 99 -9.539 -4.536 -6.199 778 1HG2 THR 99 1HG2 THR 99 -8.266 -5.883 -4.773 779 2HG2 THR 99 2HG2 THR 99 -8.628 -7.609 -4.772 780 3HG2 THR 99 3HG2 THR 99 -9.823 -6.458 -4.174 781 H ASP 100 H ASP 100 -9.084 -9.183 -7.884 782 HA ASP 100 HA ASP 100 -10.247 -10.353 -9.485 783 1HB ASP 100 2HB ASP 100 -11.799 -8.228 -9.344 784 2HB ASP 100 1HB ASP 100 -11.078 -7.837 -10.892 785 H GLY 101 H GLY 101 -7.567 -8.838 -9.758 786 1HA GLY 101 2HA GLY 101 -5.857 -9.140 -11.318 787 2HA GLY 101 1HA GLY 101 -7.057 -9.648 -12.500 788 H LYS 102 H LYS 102 -8.335 -6.923 -11.235 789 HA LYS 102 HA LYS 102 -6.975 -5.207 -13.212 790 1HB LYS 102 2HB LYS 102 -9.953 -5.367 -12.725 791 2HB LYS 102 1HB LYS 102 -9.151 -4.265 -13.833 792 1HG LYS 102 2HG LYS 102 -8.358 -6.170 -15.150 793 2HG LYS 102 1HG LYS 102 -9.191 -7.267 -14.046 794 1HD LYS 102 2HD LYS 102 -11.324 -6.133 -14.625 795 2HD LYS 102 1HD LYS 102 -10.445 -5.169 -15.814 796 1HE LYS 102 2HE LYS 102 -9.787 -7.220 -16.979 797 2HE LYS 102 1HE LYS 102 -10.684 -8.177 -15.801 798 1HZ LYS 102 1HZ LYS 102 -12.018 -7.888 -17.755 799 2HZ LYS 102 2HZ LYS 102 -11.806 -6.205 -17.718 800 3HZ LYS 102 3HZ LYS 102 -12.706 -6.969 -16.503 801 H LEU 103 H LEU 103 -7.754 -2.857 -12.930 802 HA LEU 103 HA LEU 103 -7.224 -2.081 -10.207 803 1HB LEU 103 2HB LEU 103 -6.244 -0.826 -12.056 804 2HB LEU 103 1HB LEU 103 -7.839 -0.444 -12.671 805 HG LEU 103 HG LEU 103 -8.284 0.910 -10.670 806 1HD1 LEU 103 1HD1 LEU 103 -6.894 -0.255 -9.065 807 2HD1 LEU 103 2HD1 LEU 103 -6.471 1.456 -9.128 808 3HD1 LEU 103 3HD1 LEU 103 -5.443 0.264 -9.925 809 1HD2 LEU 103 1HD2 LEU 103 -7.346 1.947 -12.674 810 2HD2 LEU 103 2HD2 LEU 103 -5.718 1.638 -12.065 811 3HD2 LEU 103 3HD2 LEU 103 -6.786 2.747 -11.204 812 H ARG 104 H ARG 104 -8.683 -1.628 -8.697 813 HA ARG 104 HA ARG 104 -11.518 -1.594 -9.464 814 1HB ARG 104 2HB ARG 104 -10.247 -2.974 -7.497 815 2HB ARG 104 1HB ARG 104 -10.762 -1.549 -6.604 816 1HG ARG 104 2HG ARG 104 -12.443 -3.207 -6.348 817 2HG ARG 104 1HG ARG 104 -13.082 -1.972 -7.438 818 1HD ARG 104 2HD ARG 104 -12.649 -3.338 -9.350 819 2HD ARG 104 1HD ARG 104 -11.770 -4.516 -8.377 820 HE ARG 104 HE ARG 104 -14.650 -4.026 -7.940 821 1HH1 ARG 104 1HH1 ARG 104 -11.964 -6.170 -8.587 822 2HH1 ARG 104 2HH1 ARG 104 -12.928 -7.609 -8.573 823 1HH2 ARG 104 1HH2 ARG 104 -15.944 -5.933 -7.915 824 2HH2 ARG 104 2HH2 ARG 104 -15.195 -7.472 -8.207 825 H GLY 105 H GLY 105 -9.021 0.307 -7.926 826 1HA GLY 105 2HA GLY 105 -9.893 2.803 -8.452 827 2HA GLY 105 1HA GLY 105 -10.835 2.368 -7.031 828 H ALA 106 H ALA 106 -9.937 3.593 -5.467 829 HA ALA 106 HA ALA 106 -7.184 3.003 -4.719 830 1HB ALA 106 1HB ALA 106 -6.954 4.954 -6.162 831 2HB ALA 106 2HB ALA 106 -6.610 5.382 -4.486 832 3HB ALA 106 3HB ALA 106 -8.158 5.819 -5.210 833 H LEU 107 H LEU 107 -6.689 3.902 -2.523 834 HA LEU 107 HA LEU 107 -9.006 3.638 -0.807 835 1HB LEU 107 2HB LEU 107 -6.076 4.052 -0.221 836 2HB LEU 107 1HB LEU 107 -7.293 4.082 1.035 837 HG LEU 107 HG LEU 107 -6.319 1.945 1.086 838 1HD1 LEU 107 1HD1 LEU 107 -8.178 0.445 0.518 839 2HD1 LEU 107 2HD1 LEU 107 -8.937 1.755 -0.391 840 3HD1 LEU 107 3HD1 LEU 107 -8.718 1.902 1.353 841 1HD2 LEU 107 1HD2 LEU 107 -5.238 1.958 -1.089 842 2HD2 LEU 107 2HD2 LEU 107 -6.798 1.736 -1.879 843 3HD2 LEU 107 3HD2 LEU 107 -6.144 0.465 -0.846 844 H SER 108 H SER 108 -10.095 5.525 -1.674 845 HA SER 108 HA SER 108 -8.955 8.104 -1.049 846 1HB SER 108 2HB SER 108 -11.294 8.847 -1.931 847 2HB SER 108 1HB SER 108 -10.113 8.186 -3.059 848 HG SER 108 HG SER 108 -12.126 7.213 -3.383 849 H GLY 109 H GLY 109 -8.820 7.495 1.247 850 1HA GLY 109 2HA GLY 109 -11.373 7.939 2.654 851 2HA GLY 109 1HA GLY 109 -9.991 7.095 3.338 852 H ILE 110 H ILE 110 -10.391 8.673 5.128 853 HA ILE 110 HA ILE 110 -9.346 11.341 4.471 854 HB ILE 110 HB ILE 110 -10.914 10.442 6.891 855 1HG1 ILE 110 2HG1 ILE 110 -12.288 10.584 4.892 856 2HG1 ILE 110 1HG1 ILE 110 -12.662 11.930 5.963 857 1HG2 ILE 110 1HG2 ILE 110 -9.306 12.194 7.466 858 2HG2 ILE 110 2HG2 ILE 110 -10.961 12.799 7.530 859 3HG2 ILE 110 3HG2 ILE 110 -9.929 13.198 6.157 860 1HD1 ILE 110 1HD1 ILE 110 -10.899 12.073 3.527 861 2HD1 ILE 110 2HD1 ILE 110 -11.330 13.419 4.585 862 3HD1 ILE 110 3HD1 ILE 110 -12.575 12.616 3.627 863 H HIS 111 H HIS 111 -9.145 8.974 7.166 864 HA HIS 111 HA HIS 111 -6.319 9.235 7.342 865 1HB HIS 111 2HB HIS 111 -7.215 11.473 8.244 866 2HB HIS 111 1HB HIS 111 -7.739 10.548 9.646 867 HD1 HIS 111 1HD HIS 111 -5.075 12.593 8.627 868 HD2 HIS 111 2HD HIS 111 -5.288 8.964 10.658 869 HE1 HIS 111 1HE HIS 111 -2.880 12.359 9.837 870 HE2 HIS 111 2HE HIS 111 -3.007 10.142 11.027 871 HA PRO 112 HA PRO 112 -7.693 6.639 11.067 872 1HB PRO 112 2HB PRO 112 -10.214 6.531 11.923 873 2HB PRO 112 1HB PRO 112 -9.189 7.928 12.276 874 1HG PRO 112 2HG PRO 112 -11.336 7.619 10.221 875 2HG PRO 112 1HG PRO 112 -10.960 9.013 11.249 876 1HD PRO 112 2HD PRO 112 -10.176 8.716 8.607 877 2HD PRO 112 1HD PRO 112 -9.420 9.813 9.777 878 H TRP 113 H TRP 113 -9.617 4.798 11.661 879 HA TRP 113 HA TRP 113 -9.887 3.277 9.157 880 1HB TRP 113 2HB TRP 113 -8.399 2.334 10.996 881 2HB TRP 113 1HB TRP 113 -9.852 2.140 11.967 882 HD1 TRP 113 HD TRP 113 -11.861 0.711 10.238 883 HE1 TRP 113 1HE TRP 113 -11.425 -1.604 9.203 884 HE3 TRP 113 3HE TRP 113 -6.751 0.717 10.356 885 HZ2 TRP 113 2HZ TRP 113 -9.205 -3.219 8.527 886 HZ3 TRP 113 3HZ TRP 113 -5.549 -1.249 9.499 887 HH2 TRP 113 HH TRP 113 -6.751 -3.175 8.604 888 H ALA 114 H ALA 114 -11.879 4.545 8.823 889 HA ALA 114 HA ALA 114 -14.121 3.131 10.093 890 1HB ALA 114 1HB ALA 114 -13.900 5.256 11.273 891 2HB ALA 114 2HB ALA 114 -15.387 5.209 10.326 892 3HB ALA 114 3HB ALA 114 -13.998 6.126 9.743 893 H GLU 115 H GLU 115 -13.095 5.382 7.582 894 HA GLU 115 HA GLU 115 -15.309 4.933 5.857 895 1HB GLU 115 2HB GLU 115 -13.894 6.063 4.150 896 2HB GLU 115 1HB GLU 115 -14.031 6.969 5.648 897 1HG GLU 115 2HG GLU 115 -11.688 5.170 5.182 898 2HG GLU 115 1HG GLU 115 -11.739 6.777 4.464 899 H LEU 116 H LEU 116 -12.289 3.339 6.407 900 HA LEU 116 HA LEU 116 -11.932 1.945 4.043 901 1HB LEU 116 2HB LEU 116 -11.283 1.270 6.894 902 2HB LEU 116 1HB LEU 116 -10.915 0.150 5.596 903 HG LEU 116 HG LEU 116 -9.876 2.981 5.760 904 1HD1 LEU 116 1HD1 LEU 116 -8.492 0.369 6.360 905 2HD1 LEU 116 2HD1 LEU 116 -8.959 1.591 7.542 906 3HD1 LEU 116 3HD1 LEU 116 -7.735 1.961 6.329 907 1HD2 LEU 116 1HD2 LEU 116 -10.051 2.181 3.477 908 2HD2 LEU 116 2HD2 LEU 116 -9.211 0.691 3.908 909 3HD2 LEU 116 3HD2 LEU 116 -8.358 2.234 3.971 910 H LEU 117 H LEU 117 -14.102 1.238 6.725 911 HA LEU 117 HA LEU 117 -14.784 -1.387 5.957 912 1HB LEU 117 2HB LEU 117 -16.422 0.642 7.478 913 2HB LEU 117 1HB LEU 117 -16.768 -1.074 7.389 914 HG LEU 117 HG LEU 117 -14.325 0.169 8.662 915 1HD1 LEU 117 1HD1 LEU 117 -16.368 0.545 9.946 916 2HD1 LEU 117 2HD1 LEU 117 -15.295 -0.592 10.763 917 3HD1 LEU 117 3HD1 LEU 117 -16.718 -1.184 9.904 918 1HD2 LEU 117 1HD2 LEU 117 -15.208 -2.715 8.536 919 2HD2 LEU 117 2HD2 LEU 117 -13.829 -2.090 9.443 920 3HD2 LEU 117 3HD2 LEU 117 -13.834 -2.013 7.681 921 H THR 118 H THR 118 -16.263 1.743 5.235 922 HA THR 118 HA THR 118 -18.391 0.689 3.681 923 HB THR 118 HB THR 118 -17.219 3.470 3.516 924 HG1 THR 118 1HG THR 118 -19.406 3.244 5.110 925 1HG2 THR 118 1HG2 THR 118 -19.996 2.402 2.995 926 2HG2 THR 118 2HG2 THR 118 -18.847 2.955 1.775 927 3HG2 THR 118 3HG2 THR 118 -19.527 4.099 2.933 928 H LEU 119 H LEU 119 -15.214 2.066 2.883 929 HA LEU 119 HA LEU 119 -15.473 2.050 0.092 930 1HB LEU 119 2HB LEU 119 -13.217 2.093 2.029 931 2HB LEU 119 1HB LEU 119 -12.847 1.755 0.351 932 HG LEU 119 HG LEU 119 -12.622 4.150 1.134 933 1HD1 LEU 119 1HD1 LEU 119 -13.486 5.051 -0.970 934 2HD1 LEU 119 2HD1 LEU 119 -14.415 3.572 -1.218 935 3HD1 LEU 119 3HD1 LEU 119 -12.651 3.517 -1.224 936 1HD2 LEU 119 1HD2 LEU 119 -14.666 4.321 2.434 937 2HD2 LEU 119 2HD2 LEU 119 -15.625 4.050 0.979 938 3HD2 LEU 119 3HD2 LEU 119 -14.652 5.512 1.132 939 H MET 120 H MET 120 -13.996 -0.364 2.261 940 HA MET 120 HA MET 120 -13.211 -2.079 0.160 941 1HB MET 120 2HB MET 120 -12.655 -3.703 1.831 942 2HB MET 120 1HB MET 120 -12.205 -2.119 2.435 943 1HG MET 120 2HG MET 120 -13.140 -3.058 4.291 944 2HG MET 120 1HG MET 120 -14.528 -2.214 3.610 945 1HE MET 120 1HE MET 120 -16.155 -5.431 5.149 946 2HE MET 120 2HE MET 120 -16.178 -3.669 5.091 947 3HE MET 120 3HE MET 120 -14.797 -4.508 5.798 948 H ARG 121 H ARG 121 -16.195 -1.755 1.918 949 HA ARG 121 HA ARG 121 -17.329 -4.264 1.469 950 1HB ARG 121 2HB ARG 121 -18.250 -2.546 2.985 951 2HB ARG 121 1HB ARG 121 -18.725 -1.587 1.592 952 1HG ARG 121 2HG ARG 121 -20.303 -3.262 0.906 953 2HG ARG 121 1HG ARG 121 -19.748 -4.357 2.174 954 1HD ARG 121 2HD ARG 121 -21.030 -1.663 2.630 955 2HD ARG 121 1HD ARG 121 -21.848 -3.220 2.779 956 HE ARG 121 HE ARG 121 -20.070 -3.677 4.546 957 1HH1 ARG 121 1HH1 ARG 121 -21.347 -0.477 3.870 958 2HH1 ARG 121 2HH1 ARG 121 -21.036 0.111 5.482 959 1HH2 ARG 121 1HH2 ARG 121 -19.682 -2.899 6.658 960 2HH2 ARG 121 2HH2 ARG 121 -20.130 -1.267 7.060 961 H SER 122 H SER 122 -17.284 -1.383 -0.569 962 HA SER 122 HA SER 122 -18.932 -2.545 -2.608 963 1HB SER 122 2HB SER 122 -18.862 -0.103 -2.239 964 2HB SER 122 1HB SER 122 -17.162 -0.085 -2.702 965 HG SER 122 HG SER 122 -19.354 -0.854 -4.355 966 H ILE 123 H ILE 123 -15.507 -2.257 -1.971 967 HA ILE 123 HA ILE 123 -14.634 -2.944 -4.600 968 HB ILE 123 HB ILE 123 -13.140 -2.964 -1.970 969 1HG1 ILE 123 2HG1 ILE 123 -13.149 -0.957 -4.235 970 2HG1 ILE 123 1HG1 ILE 123 -14.005 -0.758 -2.711 971 1HG2 ILE 123 1HG2 ILE 123 -12.057 -4.447 -3.559 972 2HG2 ILE 123 2HG2 ILE 123 -11.100 -2.982 -3.346 973 3HG2 ILE 123 3HG2 ILE 123 -12.089 -3.186 -4.790 974 1HD1 ILE 123 1HD1 ILE 123 -11.946 0.502 -2.705 975 2HD1 ILE 123 2HD1 ILE 123 -11.024 -0.957 -3.064 976 3HD1 ILE 123 3HD1 ILE 123 -11.865 -0.803 -1.522 977 H VAL 124 H VAL 124 -14.802 -4.748 -1.540 978 HA VAL 124 HA VAL 124 -14.301 -7.201 -3.052 979 HB VAL 124 HB VAL 124 -13.839 -8.299 -0.901 980 1HG1 VAL 124 1HG1 VAL 124 -11.729 -7.180 -0.427 981 2HG1 VAL 124 2HG1 VAL 124 -12.272 -5.770 -1.338 982 3HG1 VAL 124 3HG1 VAL 124 -12.025 -7.310 -2.160 983 1HG2 VAL 124 1HG2 VAL 124 -14.198 -5.564 0.316 984 2HG2 VAL 124 2HG2 VAL 124 -13.561 -6.986 1.141 985 3HG2 VAL 124 3HG2 VAL 124 -15.233 -6.966 0.585 986 H ASP 125 H ASP 125 -16.398 -6.749 -3.883 987 HA ASP 125 HA ASP 125 -18.831 -6.569 -2.792 988 1HB ASP 125 2HB ASP 125 -18.374 -6.688 -5.202 989 2HB ASP 125 1HB ASP 125 -18.120 -8.425 -5.068 990 H THR 126 H THR 126 -17.159 -9.695 -3.186 991 HA THR 126 HA THR 126 -18.600 -10.752 -0.922 992 HB THR 126 HB THR 126 -20.204 -11.157 -2.744 993 HG1 THR 126 1HG THR 126 -19.045 -13.666 -2.106 994 1HG2 THR 126 1HG2 THR 126 -19.674 -12.698 -4.565 995 2HG2 THR 126 2HG2 THR 126 -18.011 -12.818 -3.990 996 3HG2 THR 126 3HG2 THR 126 -18.622 -11.286 -4.611 997 HA PRO 127 HA PRO 127 -14.777 -13.084 -0.643 998 1HB PRO 127 2HB PRO 127 -16.214 -14.818 1.236 999 2HB PRO 127 1HB PRO 127 -14.828 -13.765 1.526 1000 1HG PRO 127 2HG PRO 127 -17.283 -13.217 2.509 1001 2HG PRO 127 1HG PRO 127 -16.144 -11.947 2.027 1002 1HD PRO 127 2HD PRO 127 -18.512 -13.029 0.544 1003 2HD PRO 127 1HD PRO 127 -17.961 -11.349 0.716 1004 H ALA 128 H ALA 128 -14.093 -14.726 -1.866 1005 HA ALA 128 HA ALA 128 -14.083 -16.438 -3.344 1006 1HB ALA 128 1HB ALA 128 -15.470 -18.403 -2.890 1007 2HB ALA 128 2HB ALA 128 -16.391 -17.478 -1.705 1008 3HB ALA 128 3HB ALA 128 -14.682 -17.814 -1.427 1009 H ALA 129 H ALA 129 -14.574 -15.367 -5.188 1010 HA ALA 129 HA ALA 129 -17.040 -14.296 -5.910 1011 1HB ALA 129 1HB ALA 129 -14.925 -13.691 -6.994 1012 2HB ALA 129 2HB ALA 129 -16.152 -14.157 -8.170 1013 3HB ALA 129 3HB ALA 129 -14.862 -15.283 -7.750 1014 H GLN 130 H GLN 130 -15.588 -17.367 -7.021 1015 HA GLN 130 HA GLN 130 -18.321 -18.327 -7.548 1016 1HB GLN 130 2HB GLN 130 -16.913 -17.979 -9.609 1017 2HB GLN 130 1HB GLN 130 -15.823 -19.217 -8.998 1018 1HG GLN 130 2HG GLN 130 -17.652 -20.842 -9.043 1019 2HG GLN 130 1HG GLN 130 -18.727 -19.600 -9.685 1020 1HE2 GLN 130 1HE2 GLN 130 -18.427 -18.870 -11.798 1021 2HE2 GLN 130 2HE2 GLN 130 -17.509 -19.772 -12.960 1022 H GLU 131 H GLU 131 -18.917 -20.104 -6.476 1023 HA GLU 131 HA GLU 131 -17.101 -21.166 -4.531 1024 1HB GLU 131 2HB GLU 131 -19.908 -22.086 -5.170 1025 2HB GLU 131 1HB GLU 131 -18.991 -22.452 -3.717 1026 1HG GLU 131 2HG GLU 131 -20.234 -20.763 -2.894 1027 2HG GLU 131 1HG GLU 131 -18.925 -19.799 -3.569 1028 H THR 132 H THR 132 -15.525 -22.063 -5.997 1029 HA THR 132 HA THR 132 -16.333 -24.746 -6.891 1030 HB THR 132 HB THR 132 -15.464 -23.532 -8.773 1031 HG1 THR 132 1HG THR 132 -13.188 -25.041 -8.184 1032 1HG2 THR 132 1HG2 THR 132 -13.010 -22.993 -7.105 1033 2HG2 THR 132 2HG2 THR 132 -14.205 -21.804 -7.620 1034 3HG2 THR 132 3HG2 THR 132 -13.189 -22.608 -8.816 1035 H VAL 133 H VAL 133 -15.855 -26.253 -5.500 1036 HA VAL 133 HA VAL 133 -13.864 -25.789 -3.448 1037 HB VAL 133 HB VAL 133 -14.629 -27.928 -2.494 1038 1HG1 VAL 133 1HG1 VAL 133 -16.904 -27.200 -1.925 1039 2HG1 VAL 133 2HG1 VAL 133 -16.852 -26.030 -3.244 1040 3HG1 VAL 133 3HG1 VAL 133 -15.755 -25.863 -1.873 1041 1HG2 VAL 133 1HG2 VAL 133 -16.557 -29.083 -3.475 1042 2HG2 VAL 133 2HG2 VAL 133 -15.162 -29.109 -4.554 1043 3HG2 VAL 133 3HG2 VAL 133 -16.495 -27.998 -4.864 1044 H GLN 134 H GLN 134 -13.708 -26.969 -6.533 1045 HA GLN 134 HA GLN 134 -11.362 -28.600 -5.855 1046 1HB GLN 134 2HB GLN 134 -13.590 -29.810 -6.647 1047 2HB GLN 134 1HB GLN 134 -12.989 -29.357 -8.237 1048 1HG GLN 134 2HG GLN 134 -12.254 -31.574 -7.751 1049 2HG GLN 134 1HG GLN 134 -10.857 -30.501 -7.701 1050 1HE2 GLN 134 1HE2 GLN 134 -9.877 -30.041 -5.702 1051 2HE2 GLN 134 2HE2 GLN 134 -10.176 -31.020 -4.306 Start of MODEL 16 1 1H MET 1 1HT MET 1 15.570 -3.067 21.294 2 2H MET 1 2HT MET 1 17.094 -2.335 21.336 3 3H MET 1 3HT MET 1 16.516 -3.006 19.887 4 HA MET 1 HA MET 1 15.534 -0.600 21.304 5 1HB MET 1 2HB MET 1 16.775 -1.083 18.596 6 2HB MET 1 1HB MET 1 15.948 0.412 19.012 7 1HG MET 1 2HG MET 1 18.320 -0.700 20.483 8 2HG MET 1 1HG MET 1 18.399 0.541 19.234 9 1HE MET 1 1HE MET 1 17.304 2.956 19.490 10 2HE MET 1 2HE MET 1 16.404 3.473 20.916 11 3HE MET 1 3HE MET 1 15.751 2.211 19.870 12 H ALA 2 H ALA 2 13.620 0.328 20.629 13 HA ALA 2 HA ALA 2 11.990 -1.123 18.678 14 1HB ALA 2 1HB ALA 2 11.392 -2.041 20.873 15 2HB ALA 2 2HB ALA 2 10.056 -1.139 20.160 16 3HB ALA 2 3HB ALA 2 11.020 -0.418 21.450 17 H ASN 3 H ASN 3 10.143 0.137 17.939 18 HA ASN 3 HA ASN 3 9.202 2.018 17.089 19 1HB ASN 3 2HB ASN 3 10.214 3.183 19.689 20 2HB ASN 3 1HB ASN 3 9.254 4.102 18.538 21 1HD2 ASN 3 1HD2 ASN 3 7.536 4.400 19.915 22 2HD2 ASN 3 2HD2 ASN 3 6.474 3.111 20.374 23 H ASP 4 H ASP 4 11.931 1.289 16.458 24 HA ASP 4 HA ASP 4 13.716 3.396 16.251 25 1HB ASP 4 2HB ASP 4 13.228 1.156 14.271 26 2HB ASP 4 1HB ASP 4 14.639 2.202 14.270 27 H THR 5 H THR 5 13.846 5.189 15.024 28 HA THR 5 HA THR 5 11.880 5.502 12.856 29 HB THR 5 HB THR 5 12.874 7.756 14.606 30 HG1 THR 5 1HG THR 5 11.194 5.827 15.283 31 1HG2 THR 5 1HG2 THR 5 10.941 8.950 13.662 32 2HG2 THR 5 2HG2 THR 5 10.554 7.540 12.677 33 3HG2 THR 5 3HG2 THR 5 12.055 8.424 12.399 34 HA PRO 6 HA PRO 6 15.883 6.522 10.912 35 1HB PRO 6 2HB PRO 6 16.194 4.339 9.391 36 2HB PRO 6 1HB PRO 6 16.607 4.332 11.107 37 1HG PRO 6 2HG PRO 6 14.374 3.014 9.723 38 2HG PRO 6 1HG PRO 6 15.068 2.668 11.315 39 1HD PRO 6 2HD PRO 6 12.715 4.250 10.650 40 2HD PRO 6 1HD PRO 6 13.291 3.725 12.246 41 H PHE 7 H PHE 7 16.354 6.245 8.365 42 HA PHE 7 HA PHE 7 13.847 6.695 6.894 43 1HB PHE 7 2HB PHE 7 16.424 8.263 6.646 44 2HB PHE 7 1HB PHE 7 15.101 8.362 5.490 45 HD1 PHE 7 1HD PHE 7 12.934 9.316 6.169 46 HD2 PHE 7 2HD PHE 7 16.323 9.373 8.744 47 HE1 PHE 7 1HE PHE 7 11.859 11.051 7.533 48 HE2 PHE 7 2HE PHE 7 15.250 11.114 10.118 49 HZ PHE 7 HZ PHE 7 13.013 11.954 9.514 50 H SER 8 H SER 8 17.326 6.374 6.161 51 HA SER 8 HA SER 8 16.853 4.999 3.722 52 1HB SER 8 2HB SER 8 19.415 5.099 5.333 53 2HB SER 8 1HB SER 8 19.261 4.781 3.605 54 HG SER 8 HG SER 8 19.827 6.931 3.908 55 H ALA 9 H ALA 9 17.504 3.997 7.007 56 HA ALA 9 HA ALA 9 18.142 1.303 6.528 57 1HB ALA 9 1HB ALA 9 17.663 0.936 8.874 58 2HB ALA 9 2HB ALA 9 16.811 2.479 8.964 59 3HB ALA 9 3HB ALA 9 18.547 2.446 8.660 60 H LEU 10 H LEU 10 15.072 2.957 6.585 61 HA LEU 10 HA LEU 10 13.383 0.769 7.097 62 1HB LEU 10 2HB LEU 10 12.912 3.282 5.496 63 2HB LEU 10 1HB LEU 10 11.652 2.124 5.874 64 HG LEU 10 HG LEU 10 13.240 3.686 7.911 65 1HD1 LEU 10 1HD1 LEU 10 10.397 4.009 6.969 66 2HD1 LEU 10 2HD1 LEU 10 11.734 5.104 6.619 67 3HD1 LEU 10 3HD1 LEU 10 11.165 4.907 8.278 68 1HD2 LEU 10 1HD2 LEU 10 11.570 2.817 9.499 69 2HD2 LEU 10 2HD2 LEU 10 12.536 1.531 8.776 70 3HD2 LEU 10 3HD2 LEU 10 10.890 1.819 8.214 71 H TRP 11 H TRP 11 14.424 2.168 3.981 72 HA TRP 11 HA TRP 11 13.171 0.244 2.357 73 1HB TRP 11 2HB TRP 11 15.212 2.339 1.972 74 2HB TRP 11 1HB TRP 11 15.289 1.005 0.827 75 HD1 TRP 11 HD TRP 11 14.044 4.267 0.744 76 HE1 TRP 11 1HE TRP 11 11.914 4.526 -0.686 77 HE3 TRP 11 3HE TRP 11 12.593 -0.636 0.554 78 HZ2 TRP 11 2HZ TRP 11 9.895 2.859 -1.750 79 HZ3 TRP 11 3HZ TRP 11 10.546 -1.211 -0.682 80 HH2 TRP 11 HH TRP 11 9.228 0.502 -1.807 81 H GLN 12 H GLN 12 16.319 0.308 3.911 82 HA GLN 12 HA GLN 12 17.483 -1.872 2.577 83 1HB GLN 12 2HB GLN 12 18.686 -0.233 4.044 84 2HB GLN 12 1HB GLN 12 17.971 -1.025 5.440 85 1HG GLN 12 2HG GLN 12 19.137 -3.055 4.964 86 2HG GLN 12 1HG GLN 12 19.731 -2.408 3.435 87 1HE2 GLN 12 1HE2 GLN 12 21.346 -0.827 3.463 88 2HE2 GLN 12 2HE2 GLN 12 22.356 -0.586 4.847 89 H ARG 13 H ARG 13 15.440 -1.695 5.453 90 HA ARG 13 HA ARG 13 15.506 -4.485 6.014 91 1HB ARG 13 2HB ARG 13 13.942 -2.147 6.954 92 2HB ARG 13 1HB ARG 13 13.189 -3.720 7.154 93 1HG ARG 13 2HG ARG 13 14.363 -3.063 9.164 94 2HG ARG 13 1HG ARG 13 15.114 -4.485 8.444 95 1HD ARG 13 2HD ARG 13 16.245 -1.939 7.544 96 2HD ARG 13 1HD ARG 13 16.433 -2.243 9.271 97 HE ARG 13 HE ARG 13 17.172 -4.504 7.656 98 1HH1 ARG 13 1HH1 ARG 13 18.278 -1.431 8.900 99 2HH1 ARG 13 2HH1 ARG 13 19.957 -1.863 8.889 100 1HH2 ARG 13 1HH2 ARG 13 19.387 -5.117 7.654 101 2HH2 ARG 13 2HH2 ARG 13 20.593 -3.975 8.177 102 H LEU 14 H LEU 14 13.397 -2.415 4.086 103 HA LEU 14 HA LEU 14 11.363 -4.336 3.675 104 1HB LEU 14 2HB LEU 14 12.108 -1.947 1.986 105 2HB LEU 14 1HB LEU 14 10.626 -2.872 1.832 106 HG LEU 14 HG LEU 14 11.456 -1.191 4.201 107 1HD1 LEU 14 1HD1 LEU 14 10.677 0.117 2.317 108 2HD1 LEU 14 2HD1 LEU 14 9.474 0.129 3.606 109 3HD1 LEU 14 3HD1 LEU 14 9.236 -0.888 2.186 110 1HD2 LEU 14 1HD2 LEU 14 8.961 -2.842 3.812 111 2HD2 LEU 14 2HD2 LEU 14 9.296 -1.762 5.166 112 3HD2 LEU 14 3HD2 LEU 14 10.276 -3.209 4.930 113 H LEU 15 H LEU 15 14.012 -3.273 1.531 114 HA LEU 15 HA LEU 15 13.578 -5.059 -0.546 115 1HB LEU 15 2HB LEU 15 15.951 -3.576 0.445 116 2HB LEU 15 1HB LEU 15 16.235 -4.886 -0.687 117 HG LEU 15 HG LEU 15 14.618 -3.780 -2.257 118 1HD1 LEU 15 1HD1 LEU 15 14.135 -1.403 -1.899 119 2HD1 LEU 15 2HD1 LEU 15 14.834 -1.521 -0.284 120 3HD1 LEU 15 3HD1 LEU 15 13.379 -2.433 -0.683 121 1HD2 LEU 15 1HD2 LEU 15 17.029 -2.169 -1.455 122 2HD2 LEU 15 2HD2 LEU 15 16.203 -2.099 -3.011 123 3HD2 LEU 15 3HD2 LEU 15 17.034 -3.575 -2.517 124 H THR 16 H THR 16 14.857 -5.676 2.591 125 HA THR 16 HA THR 16 16.324 -8.005 2.120 126 HB THR 16 HB THR 16 14.674 -7.312 4.561 127 HG1 THR 16 1HG THR 16 16.472 -5.850 3.799 128 1HG2 THR 16 1HG2 THR 16 16.190 -8.828 5.755 129 2HG2 THR 16 2HG2 THR 16 16.969 -9.251 4.229 130 3HG2 THR 16 3HG2 THR 16 15.281 -9.679 4.508 131 H ARG 17 H ARG 17 12.806 -7.575 2.666 132 HA ARG 17 HA ARG 17 12.232 -10.014 1.313 133 1HB ARG 17 2HB ARG 17 13.074 -10.698 3.673 134 2HB ARG 17 1HB ARG 17 11.494 -10.148 4.218 135 1HG ARG 17 2HG ARG 17 11.439 -12.521 3.846 136 2HG ARG 17 1HG ARG 17 10.434 -11.712 2.640 137 1HD ARG 17 2HD ARG 17 12.333 -11.821 1.051 138 2HD ARG 17 1HD ARG 17 13.245 -12.737 2.248 139 HE ARG 17 HE ARG 17 10.905 -14.137 1.914 140 1HH1 ARG 17 1HH1 ARG 17 13.532 -13.068 -0.158 141 2HH1 ARG 17 2HH1 ARG 17 13.336 -14.380 -1.291 142 1HH2 ARG 17 1HH2 ARG 17 10.652 -15.873 0.415 143 2HH2 ARG 17 2HH2 ARG 17 11.735 -15.976 -0.949 144 H GLY 18 H GLY 18 10.951 -7.715 3.727 145 1HA GLY 18 2HA GLY 18 8.259 -8.216 2.677 146 2HA GLY 18 1HA GLY 18 8.635 -7.419 4.195 147 H TRP 19 H TRP 19 7.121 -6.804 1.554 148 HA TRP 19 HA TRP 19 6.434 -4.929 0.490 149 1HB TRP 19 2HB TRP 19 8.342 -3.562 2.371 150 2HB TRP 19 1HB TRP 19 7.420 -2.689 1.157 151 HD1 TRP 19 HD TRP 19 6.435 -5.310 3.879 152 HE1 TRP 19 1HE TRP 19 4.335 -4.429 5.076 153 HE3 TRP 19 3HE TRP 19 5.835 -0.910 1.340 154 HZ2 TRP 19 2HZ TRP 19 2.652 -2.160 4.970 155 HZ3 TRP 19 3HZ TRP 19 3.957 0.563 1.953 156 HH2 TRP 19 HH TRP 19 2.400 -0.053 3.731 157 H GLN 20 H GLN 20 6.885 -4.736 -1.538 158 HA GLN 20 HA GLN 20 9.703 -4.582 -2.384 159 1HB GLN 20 2HB GLN 20 8.400 -6.658 -3.016 160 2HB GLN 20 1HB GLN 20 7.375 -5.625 -4.004 161 1HG GLN 20 2HG GLN 20 9.768 -4.902 -4.959 162 2HG GLN 20 1HG GLN 20 10.140 -6.551 -4.461 163 1HE2 GLN 20 1HE2 GLN 20 8.405 -4.544 -6.659 164 2HE2 GLN 20 2HE2 GLN 20 7.849 -5.808 -7.699 165 HA PRO 21 HA PRO 21 8.457 -0.721 -4.344 166 1HB PRO 21 2HB PRO 21 11.008 -0.803 -5.745 167 2HB PRO 21 1HB PRO 21 10.460 0.329 -4.507 168 1HG PRO 21 2HG PRO 21 12.421 -1.499 -4.074 169 2HG PRO 21 1HG PRO 21 11.352 -0.907 -2.795 170 1HD PRO 21 2HD PRO 21 11.235 -3.482 -4.319 171 2HD PRO 21 1HD PRO 21 10.940 -3.177 -2.593 172 H VAL 22 H VAL 22 7.367 -0.432 -6.210 173 HA VAL 22 HA VAL 22 7.621 -2.512 -8.252 174 HB VAL 22 HB VAL 22 5.488 -1.286 -9.155 175 1HG1 VAL 22 1HG1 VAL 22 4.095 -2.735 -7.745 176 2HG1 VAL 22 2HG1 VAL 22 5.478 -3.008 -6.684 177 3HG1 VAL 22 3HG1 VAL 22 5.525 -3.566 -8.357 178 1HG2 VAL 22 1HG2 VAL 22 5.515 -0.441 -6.258 179 2HG2 VAL 22 2HG2 VAL 22 4.121 -0.341 -7.333 180 3HG2 VAL 22 3HG2 VAL 22 5.560 0.619 -7.665 181 H GLU 23 H GLU 23 6.739 -1.425 -10.486 182 HA GLU 23 HA GLU 23 8.492 0.835 -11.115 183 1HB GLU 23 2HB GLU 23 8.566 -1.779 -12.640 184 2HB GLU 23 1HB GLU 23 9.490 -0.332 -13.014 185 1HG GLU 23 2HG GLU 23 10.690 -0.557 -10.893 186 2HG GLU 23 1HG GLU 23 9.783 -2.030 -10.546 187 H ALA 24 H ALA 24 8.085 1.569 -13.440 188 HA ALA 24 HA ALA 24 5.222 1.821 -13.698 189 1HB ALA 24 1HB ALA 24 7.434 2.974 -15.390 190 2HB ALA 24 2HB ALA 24 6.673 3.759 -14.006 191 3HB ALA 24 3HB ALA 24 5.731 3.428 -15.460 192 H SER 25 H SER 25 7.864 0.517 -15.659 193 HA SER 25 HA SER 25 6.089 -0.319 -17.757 194 1HB SER 25 2HB SER 25 8.983 -1.084 -17.305 195 2HB SER 25 1HB SER 25 8.085 -1.177 -18.821 196 HG SER 25 HG SER 25 7.973 1.066 -18.874 197 H THR 26 H THR 26 7.028 -1.605 -14.770 198 HA THR 26 HA THR 26 6.527 -4.360 -15.643 199 HB THR 26 HB THR 26 7.717 -3.485 -13.004 200 HG1 THR 26 1HG THR 26 9.683 -3.583 -13.936 201 1HG2 THR 26 1HG2 THR 26 7.801 -6.128 -14.471 202 2HG2 THR 26 2HG2 THR 26 6.809 -5.770 -13.057 203 3HG2 THR 26 3HG2 THR 26 8.569 -5.775 -12.922 204 H VAL 27 H VAL 27 5.125 -1.787 -13.804 205 HA VAL 27 HA VAL 27 3.688 -3.280 -11.907 206 HB VAL 27 HB VAL 27 3.936 -0.825 -11.789 207 1HG1 VAL 27 1HG1 VAL 27 2.488 0.646 -13.086 208 2HG1 VAL 27 2HG1 VAL 27 1.860 -0.742 -13.975 209 3HG1 VAL 27 3HG1 VAL 27 3.555 -0.283 -14.138 210 1HG2 VAL 27 1HG2 VAL 27 2.245 -1.943 -10.451 211 2HG2 VAL 27 2HG2 VAL 27 1.076 -1.768 -11.759 212 3HG2 VAL 27 3HG2 VAL 27 1.707 -0.338 -10.943 213 H ASP 28 H ASP 28 3.031 -2.563 -15.261 214 HA ASP 28 HA ASP 28 0.280 -3.214 -15.258 215 1HB ASP 28 2HB ASP 28 1.479 -1.888 -17.022 216 2HB ASP 28 1HB ASP 28 2.211 -3.386 -17.583 217 H ASP 29 H ASP 29 3.194 -5.087 -15.578 218 HA ASP 29 HA ASP 29 1.792 -7.509 -16.313 219 1HB ASP 29 2HB ASP 29 4.050 -7.010 -17.207 220 2HB ASP 29 1HB ASP 29 4.695 -7.088 -15.571 221 H TRP 30 H TRP 30 3.321 -6.064 -13.534 222 HA TRP 30 HA TRP 30 3.339 -8.200 -11.745 223 1HB TRP 30 2HB TRP 30 4.409 -5.916 -11.488 224 2HB TRP 30 1HB TRP 30 2.823 -5.300 -11.047 225 HD1 TRP 30 HD TRP 30 5.604 -7.604 -9.741 226 HE1 TRP 30 1HE TRP 30 5.349 -7.825 -7.190 227 HE3 TRP 30 3HE TRP 30 1.166 -5.141 -9.154 228 HZ2 TRP 30 2HZ TRP 30 3.503 -7.062 -5.192 229 HZ3 TRP 30 3HZ TRP 30 0.224 -4.933 -6.891 230 HH2 TRP 30 HH TRP 30 1.369 -5.874 -4.953 231 H ILE 31 H ILE 31 0.814 -5.874 -12.532 232 HA ILE 31 HA ILE 31 -1.043 -6.398 -10.536 233 HB ILE 31 HB ILE 31 -1.547 -5.634 -13.421 234 1HG1 ILE 31 2HG1 ILE 31 -1.532 -3.900 -10.947 235 2HG1 ILE 31 1HG1 ILE 31 -0.146 -4.084 -12.015 236 1HG2 ILE 31 1HG2 ILE 31 -3.732 -4.825 -12.650 237 2HG2 ILE 31 2HG2 ILE 31 -3.412 -5.505 -11.055 238 3HG2 ILE 31 3HG2 ILE 31 -3.569 -6.569 -12.452 239 1HD1 ILE 31 1HD1 ILE 31 -2.830 -2.979 -12.792 240 2HD1 ILE 31 2HD1 ILE 31 -1.441 -3.160 -13.862 241 3HD1 ILE 31 3HD1 ILE 31 -1.364 -2.043 -12.500 242 H LYS 32 H LYS 32 -0.808 -7.897 -13.750 243 HA LYS 32 HA LYS 32 -2.940 -9.704 -13.495 244 1HB LYS 32 2HB LYS 32 -0.358 -10.121 -15.001 245 2HB LYS 32 1HB LYS 32 -1.864 -10.980 -15.266 246 1HG LYS 32 2HG LYS 32 -2.899 -9.021 -16.142 247 2HG LYS 32 1HG LYS 32 -1.495 -8.032 -15.708 248 1HD LYS 32 2HD LYS 32 -1.315 -10.426 -17.503 249 2HD LYS 32 1HD LYS 32 -1.601 -8.796 -18.124 250 1HE LYS 32 2HE LYS 32 0.502 -8.059 -17.466 251 2HE LYS 32 1HE LYS 32 0.699 -9.362 -16.294 252 1HZ LYS 32 1HZ LYS 32 0.878 -9.550 -19.253 253 2HZ LYS 32 2HZ LYS 32 0.815 -10.905 -18.234 254 3HZ LYS 32 3HZ LYS 32 2.115 -9.818 -18.117 255 H ARG 33 H ARG 33 0.521 -10.199 -13.111 256 HA ARG 33 HA ARG 33 0.517 -12.910 -12.579 257 1HB ARG 33 2HB ARG 33 2.469 -11.247 -12.954 258 2HB ARG 33 1HB ARG 33 2.456 -11.089 -11.208 259 1HG ARG 33 2HG ARG 33 2.650 -13.613 -11.110 260 2HG ARG 33 1HG ARG 33 3.019 -13.546 -12.836 261 1HD ARG 33 2HD ARG 33 4.874 -11.986 -12.323 262 2HD ARG 33 1HD ARG 33 4.540 -12.208 -10.607 263 HE ARG 33 HE ARG 33 5.770 -14.120 -12.421 264 1HH1 ARG 33 1HH1 ARG 33 4.314 -13.603 -9.262 265 2HH1 ARG 33 2HH1 ARG 33 5.181 -14.916 -8.527 266 1HH2 ARG 33 1HH2 ARG 33 6.864 -15.852 -11.444 267 2HH2 ARG 33 2HH2 ARG 33 6.605 -16.190 -9.751 268 H VAL 34 H VAL 34 0.420 -10.260 -10.206 269 HA VAL 34 HA VAL 34 0.264 -12.166 -8.029 270 HB VAL 34 HB VAL 34 0.187 -10.279 -6.522 271 1HG1 VAL 34 1HG1 VAL 34 2.202 -9.819 -8.714 272 2HG1 VAL 34 2HG1 VAL 34 2.362 -10.975 -7.392 273 3HG1 VAL 34 3HG1 VAL 34 2.325 -9.243 -7.053 274 1HG2 VAL 34 1HG2 VAL 34 -0.004 -8.543 -8.981 275 2HG2 VAL 34 2HG2 VAL 34 0.214 -7.965 -7.327 276 3HG2 VAL 34 3HG2 VAL 34 -1.274 -8.796 -7.785 277 H GLY 35 H GLY 35 -1.915 -10.129 -9.829 278 1HA GLY 35 2HA GLY 35 -4.200 -10.344 -10.068 279 2HA GLY 35 1HA GLY 35 -4.173 -11.629 -8.870 280 H ASP 36 H ASP 36 -3.181 -10.488 -6.686 281 HA ASP 36 HA ASP 36 -5.052 -8.296 -6.111 282 1HB ASP 36 2HB ASP 36 -4.428 -10.600 -4.251 283 2HB ASP 36 1HB ASP 36 -5.617 -9.331 -4.010 284 H GLY 37 H GLY 37 -4.092 -6.579 -5.264 285 1HA GLY 37 2HA GLY 37 -2.183 -6.569 -3.235 286 2HA GLY 37 1HA GLY 37 -1.309 -6.492 -4.760 287 H VAL 38 H VAL 38 -0.769 -4.374 -3.481 288 HA VAL 38 HA VAL 38 -2.467 -2.291 -4.647 289 HB VAL 38 HB VAL 38 -2.197 -0.899 -2.565 290 1HG1 VAL 38 1HG1 VAL 38 -4.055 -1.930 -1.369 291 2HG1 VAL 38 2HG1 VAL 38 -3.806 -3.429 -2.261 292 3HG1 VAL 38 3HG1 VAL 38 -4.319 -1.972 -3.113 293 1HG2 VAL 38 1HG2 VAL 38 -0.382 -2.121 -1.511 294 2HG2 VAL 38 2HG2 VAL 38 -1.411 -3.542 -1.344 295 3HG2 VAL 38 3HG2 VAL 38 -1.786 -2.073 -0.443 296 H ILE 39 H ILE 39 -1.379 -0.567 -5.434 297 HA ILE 39 HA ILE 39 1.530 -0.466 -4.986 298 HB ILE 39 HB ILE 39 -0.147 0.536 -7.293 299 1HG1 ILE 39 2HG1 ILE 39 1.605 -0.701 -8.635 300 2HG1 ILE 39 1HG1 ILE 39 2.214 -1.361 -7.126 301 1HG2 ILE 39 1HG2 ILE 39 1.864 1.590 -8.217 302 2HG2 ILE 39 2HG2 ILE 39 2.732 1.222 -6.726 303 3HG2 ILE 39 3HG2 ILE 39 1.364 2.334 -6.697 304 1HD1 ILE 39 1HD1 ILE 39 -0.524 -1.787 -8.312 305 2HD1 ILE 39 2HD1 ILE 39 0.004 -2.394 -6.740 306 3HD1 ILE 39 3HD1 ILE 39 0.791 -2.961 -8.213 307 H LEU 40 H LEU 40 2.142 1.032 -3.562 308 HA LEU 40 HA LEU 40 0.473 3.385 -3.128 309 1HB LEU 40 2HB LEU 40 2.969 2.392 -1.748 310 2HB LEU 40 1HB LEU 40 2.242 3.945 -1.397 311 HG LEU 40 HG LEU 40 0.100 2.517 -0.905 312 1HD1 LEU 40 1HD1 LEU 40 0.583 0.332 0.004 313 2HD1 LEU 40 2HD1 LEU 40 2.284 0.499 -0.426 314 3HD1 LEU 40 3HD1 LEU 40 1.060 0.397 -1.693 315 1HD2 LEU 40 1HD2 LEU 40 0.812 2.344 1.434 316 2HD2 LEU 40 2HD2 LEU 40 1.269 3.890 0.718 317 3HD2 LEU 40 3HD2 LEU 40 2.482 2.629 0.942 318 H LEU 41 H LEU 41 0.827 5.241 -4.173 319 HA LEU 41 HA LEU 41 3.271 5.659 -5.667 320 1HB LEU 41 2HB LEU 41 0.764 7.271 -5.270 321 2HB LEU 41 1HB LEU 41 2.178 7.985 -6.016 322 HG LEU 41 HG LEU 41 2.083 6.192 -7.761 323 1HD1 LEU 41 1HD1 LEU 41 0.817 4.533 -6.492 324 2HD1 LEU 41 2HD1 LEU 41 0.025 4.923 -8.019 325 3HD1 LEU 41 3HD1 LEU 41 -0.592 5.594 -6.509 326 1HD2 LEU 41 1HD2 LEU 41 -0.361 7.935 -7.476 327 2HD2 LEU 41 2HD2 LEU 41 0.207 7.191 -8.970 328 3HD2 LEU 41 3HD2 LEU 41 1.187 8.419 -8.170 329 H SER 42 H SER 42 5.050 6.214 -4.610 330 HA SER 42 HA SER 42 6.484 7.082 -3.091 331 1HB SER 42 2HB SER 42 4.326 9.100 -2.429 332 2HB SER 42 1HB SER 42 6.061 9.252 -2.129 333 HG SER 42 HG SER 42 4.621 9.592 -4.467 334 H SER 43 H SER 43 6.711 7.529 -0.635 335 HA SER 43 HA SER 43 4.830 5.745 0.751 336 1HB SER 43 2HB SER 43 6.791 5.403 2.359 337 2HB SER 43 1HB SER 43 6.932 4.677 0.758 338 HG SER 43 HG SER 43 8.489 6.037 0.254 339 H ASP 44 H ASP 44 7.256 7.800 2.240 340 HA ASP 44 HA ASP 44 5.095 9.460 3.350 341 1HB ASP 44 2HB ASP 44 5.954 7.845 5.050 342 2HB ASP 44 1HB ASP 44 7.545 8.586 4.897 343 HA PRO 45 HA PRO 45 9.141 12.173 2.751 344 1HB PRO 45 2HB PRO 45 10.840 10.989 0.915 345 2HB PRO 45 1HB PRO 45 11.124 11.040 2.657 346 1HG PRO 45 2HG PRO 45 9.997 8.835 0.984 347 2HG PRO 45 1HG PRO 45 11.124 8.746 2.350 348 1HD PRO 45 2HD PRO 45 8.533 8.144 2.643 349 2HD PRO 45 1HD PRO 45 9.434 8.985 3.922 350 H ARG 46 H ARG 46 8.292 13.633 1.419 351 HA ARG 46 HA ARG 46 7.586 12.876 -1.325 352 1HB ARG 46 2HB ARG 46 5.767 14.392 0.573 353 2HB ARG 46 1HB ARG 46 5.427 14.043 -1.116 354 1HG ARG 46 2HG ARG 46 5.127 11.758 -0.706 355 2HG ARG 46 1HG ARG 46 5.918 11.849 0.869 356 1HD ARG 46 2HD ARG 46 4.015 13.326 1.611 357 2HD ARG 46 1HD ARG 46 3.206 12.914 0.099 358 HE ARG 46 HE ARG 46 3.327 10.552 0.862 359 1HH1 ARG 46 1HH1 ARG 46 3.481 13.139 3.206 360 2HH1 ARG 46 2HH1 ARG 46 2.935 12.160 4.528 361 1HH2 ARG 46 1HH2 ARG 46 2.563 9.257 2.596 362 2HH2 ARG 46 2HH2 ARG 46 2.367 9.963 4.173 363 H ARG 47 H ARG 47 7.395 14.762 -2.756 364 HA ARG 47 HA ARG 47 9.408 16.644 -2.499 365 1HB ARG 47 2HB ARG 47 8.083 16.042 -4.583 366 2HB ARG 47 1HB ARG 47 6.840 17.144 -4.007 367 1HG ARG 47 2HG ARG 47 8.446 18.984 -4.058 368 2HG ARG 47 1HG ARG 47 9.692 17.876 -4.635 369 1HD ARG 47 2HD ARG 47 8.136 17.373 -6.576 370 2HD ARG 47 1HD ARG 47 7.191 18.765 -6.047 371 HE ARG 47 HE ARG 47 9.866 19.561 -6.290 372 1HH1 ARG 47 1HH1 ARG 47 7.128 18.648 -8.286 373 2HH1 ARG 47 2HH1 ARG 47 7.761 19.410 -9.712 374 1HH2 ARG 47 1HH2 ARG 47 10.708 20.541 -8.180 375 2HH2 ARG 47 2HH2 ARG 47 9.789 20.484 -9.660 376 H THR 48 H THR 48 5.994 16.925 -1.662 377 HA THR 48 HA THR 48 6.668 18.777 0.425 378 HB THR 48 HB THR 48 6.387 20.386 -1.336 379 HG1 THR 48 1HG THR 48 3.918 20.425 0.059 380 1HG2 THR 48 1HG2 THR 48 5.136 19.085 -2.958 381 2HG2 THR 48 2HG2 THR 48 4.290 20.595 -2.622 382 3HG2 THR 48 3HG2 THR 48 3.722 19.087 -1.905 383 HA PRO 49 HA PRO 49 3.449 15.704 1.532 384 1HB PRO 49 2HB PRO 49 4.212 15.575 4.162 385 2HB PRO 49 1HB PRO 49 4.900 14.576 2.880 386 1HG PRO 49 2HG PRO 49 5.986 17.049 4.146 387 2HG PRO 49 1HG PRO 49 6.840 15.585 3.623 388 1HD PRO 49 2HD PRO 49 6.844 17.886 2.185 389 2HD PRO 49 1HD PRO 49 6.949 16.282 1.434 390 H GLU 50 H GLU 50 4.439 18.523 3.449 391 HA GLU 50 HA GLU 50 3.314 20.132 4.553 392 1HB GLU 50 2HB GLU 50 1.001 19.198 2.854 393 2HB GLU 50 1HB GLU 50 0.944 20.611 3.902 394 1HG GLU 50 2HG GLU 50 2.766 20.196 1.545 395 2HG GLU 50 1HG GLU 50 1.379 21.281 1.630 396 H VAL 51 H VAL 51 0.769 17.651 4.293 397 HA VAL 51 HA VAL 51 0.228 17.898 7.128 398 HB VAL 51 HB VAL 51 -1.563 16.246 6.727 399 1HG1 VAL 51 1HG1 VAL 51 -2.958 17.663 5.298 400 2HG1 VAL 51 2HG1 VAL 51 -1.524 18.536 4.764 401 3HG1 VAL 51 3HG1 VAL 51 -2.028 18.618 6.451 402 1HG2 VAL 51 1HG2 VAL 51 -2.080 15.518 4.452 403 2HG2 VAL 51 2HG2 VAL 51 -0.488 14.947 4.952 404 3HG2 VAL 51 3HG2 VAL 51 -0.630 16.322 3.855 405 H SER 52 H SER 52 -0.063 15.834 8.404 406 HA SER 52 HA SER 52 2.302 14.154 7.945 407 1HB SER 52 2HB SER 52 0.849 14.747 10.535 408 2HB SER 52 1HB SER 52 2.330 13.801 10.368 409 HG SER 52 HG SER 52 3.405 15.647 9.660 410 H ASP 53 H ASP 53 1.711 12.305 6.994 411 HA ASP 53 HA ASP 53 -0.192 10.578 8.335 412 1HB ASP 53 2HB ASP 53 -1.361 12.080 6.481 413 2HB ASP 53 1HB ASP 53 -0.654 10.889 5.393 414 H ASN 54 H ASN 54 0.649 8.578 8.326 415 HA ASN 54 HA ASN 54 3.021 8.189 6.640 416 1HB ASN 54 2HB ASN 54 2.269 6.806 9.221 417 2HB ASN 54 1HB ASN 54 3.777 6.600 8.341 418 1HD2 ASN 54 1HD2 ASN 54 4.060 9.436 7.702 419 2HD2 ASN 54 2HD2 ASN 54 4.481 10.222 9.191 420 HA PRO 55 HA PRO 55 1.046 4.744 4.665 421 1HB PRO 55 2HB PRO 55 3.177 3.473 3.643 422 2HB PRO 55 1HB PRO 55 2.651 5.046 3.030 423 1HG PRO 55 2HG PRO 55 4.871 4.391 4.920 424 2HG PRO 55 1HG PRO 55 4.852 5.548 3.577 425 1HD PRO 55 2HD PRO 55 4.517 6.255 6.210 426 2HD PRO 55 1HD PRO 55 3.870 7.186 4.844 427 H VAL 56 H VAL 56 2.641 4.537 7.502 428 HA VAL 56 HA VAL 56 3.141 1.753 7.785 429 HB VAL 56 HB VAL 56 2.490 3.732 9.982 430 1HG1 VAL 56 1HG1 VAL 56 4.015 1.130 10.026 431 2HG1 VAL 56 2HG1 VAL 56 2.426 1.427 10.730 432 3HG1 VAL 56 3HG1 VAL 56 3.846 2.238 11.389 433 1HG2 VAL 56 1HG2 VAL 56 5.144 3.084 8.709 434 2HG2 VAL 56 2HG2 VAL 56 4.931 4.032 10.180 435 3HG2 VAL 56 3HG2 VAL 56 4.289 4.625 8.650 436 H MET 57 H MET 57 0.330 3.736 7.921 437 HA MET 57 HA MET 57 -1.391 2.082 9.403 438 1HB MET 57 2HB MET 57 -1.891 4.151 7.271 439 2HB MET 57 1HB MET 57 -3.206 3.279 8.044 440 1HG MET 57 2HG MET 57 -2.857 5.455 9.065 441 2HG MET 57 1HG MET 57 -2.542 4.153 10.207 442 1HE MET 57 1HE MET 57 -1.643 7.277 10.510 443 2HE MET 57 2HE MET 57 -0.052 7.044 11.237 444 3HE MET 57 3HE MET 57 -1.413 6.051 11.755 445 H ILE 58 H ILE 58 -0.350 1.983 6.062 446 HA ILE 58 HA ILE 58 -2.299 0.129 5.145 447 HB ILE 58 HB ILE 58 0.459 0.777 4.076 448 1HG1 ILE 58 2HG1 ILE 58 -1.014 1.720 2.167 449 2HG1 ILE 58 1HG1 ILE 58 -2.331 1.633 3.330 450 1HG2 ILE 58 1HG2 ILE 58 -1.660 -0.985 2.854 451 2HG2 ILE 58 2HG2 ILE 58 -0.070 -1.489 3.427 452 3HG2 ILE 58 3HG2 ILE 58 -0.207 -0.425 2.028 453 1HD1 ILE 58 1HD1 ILE 58 0.203 3.222 3.629 454 2HD1 ILE 58 2HD1 ILE 58 -1.091 3.121 4.825 455 3HD1 ILE 58 3HD1 ILE 58 -1.398 3.859 3.252 456 H ALA 59 H ALA 59 0.844 -0.171 6.680 457 HA ALA 59 HA ALA 59 1.174 -2.957 6.337 458 1HB ALA 59 1HB ALA 59 2.264 -1.180 8.518 459 2HB ALA 59 2HB ALA 59 3.016 -1.464 6.949 460 3HB ALA 59 3HB ALA 59 2.850 -2.790 8.100 461 H GLU 60 H GLU 60 -0.412 -1.006 8.795 462 HA GLU 60 HA GLU 60 -0.984 -3.158 10.574 463 1HB GLU 60 2HB GLU 60 -0.950 -0.653 11.102 464 2HB GLU 60 1HB GLU 60 -2.528 -0.575 10.336 465 1HG GLU 60 2HG GLU 60 -2.806 -0.712 12.706 466 2HG GLU 60 1HG GLU 60 -3.370 -2.214 11.973 467 H LEU 61 H LEU 61 -2.710 -1.525 7.986 468 HA LEU 61 HA LEU 61 -5.199 -2.754 8.124 469 1HB LEU 61 2HB LEU 61 -4.279 -0.854 6.620 470 2HB LEU 61 1HB LEU 61 -3.807 -2.136 5.535 471 HG LEU 61 HG LEU 61 -6.662 -1.738 6.422 472 1HD1 LEU 61 1HD1 LEU 61 -7.028 -0.590 4.306 473 2HD1 LEU 61 2HD1 LEU 61 -5.307 -0.687 3.941 474 3HD1 LEU 61 3HD1 LEU 61 -5.865 0.286 5.302 475 1HD2 LEU 61 1HD2 LEU 61 -5.451 -3.190 4.066 476 2HD2 LEU 61 2HD2 LEU 61 -7.172 -3.048 4.427 477 3HD2 LEU 61 3HD2 LEU 61 -6.117 -3.951 5.513 478 H LEU 62 H LEU 62 -2.284 -3.732 6.405 479 HA LEU 62 HA LEU 62 -3.142 -5.979 5.057 480 1HB LEU 62 2HB LEU 62 -0.864 -4.782 5.083 481 2HB LEU 62 1HB LEU 62 -0.471 -5.813 6.440 482 HG LEU 62 HG LEU 62 -1.219 -6.858 3.704 483 1HD1 LEU 62 1HD1 LEU 62 1.169 -7.269 3.403 484 2HD1 LEU 62 2HD1 LEU 62 1.502 -6.454 4.931 485 3HD1 LEU 62 3HD1 LEU 62 0.827 -5.548 3.577 486 1HD2 LEU 62 1HD2 LEU 62 -1.571 -8.461 5.519 487 2HD2 LEU 62 2HD2 LEU 62 0.082 -8.203 6.072 488 3HD2 LEU 62 3HD2 LEU 62 -0.214 -8.939 4.498 489 H ARG 63 H ARG 63 -2.219 -5.671 8.443 490 HA ARG 63 HA ARG 63 -1.905 -8.434 8.960 491 1HB ARG 63 2HB ARG 63 -2.509 -6.211 10.913 492 2HB ARG 63 1HB ARG 63 -1.885 -7.802 11.319 493 1HG ARG 63 2HG ARG 63 0.167 -7.339 10.122 494 2HG ARG 63 1HG ARG 63 -0.463 -5.768 9.620 495 1HD ARG 63 2HD ARG 63 0.997 -5.422 11.479 496 2HD ARG 63 1HD ARG 63 -0.658 -5.155 12.023 497 HE ARG 63 HE ARG 63 0.442 -7.817 12.466 498 1HH1 ARG 63 1HH1 ARG 63 -0.474 -4.705 13.786 499 2HH1 ARG 63 2HH1 ARG 63 -0.221 -5.191 15.436 500 1HH2 ARG 63 1HH2 ARG 63 0.733 -8.482 14.621 501 2HH2 ARG 63 2HH2 ARG 63 0.481 -7.346 15.921 502 H GLU 64 H GLU 64 -4.680 -6.272 9.200 503 HA GLU 64 HA GLU 64 -6.171 -8.403 10.535 504 1HB GLU 64 2HB GLU 64 -7.762 -6.554 11.119 505 2HB GLU 64 1HB GLU 64 -6.169 -6.435 11.842 506 1HG GLU 64 2HG GLU 64 -5.564 -4.818 10.042 507 2HG GLU 64 1HG GLU 64 -7.249 -4.856 9.521 508 H PHE 65 H PHE 65 -5.684 -8.046 7.536 509 HA PHE 65 HA PHE 65 -8.491 -7.951 6.685 510 1HB PHE 65 2HB PHE 65 -6.293 -6.934 5.440 511 2HB PHE 65 1HB PHE 65 -6.411 -8.505 4.659 512 HD1 PHE 65 1HD PHE 65 -7.589 -5.169 4.707 513 HD2 PHE 65 2HD PHE 65 -8.715 -9.142 3.680 514 HE1 PHE 65 1HE PHE 65 -9.355 -4.285 3.241 515 HE2 PHE 65 2HE PHE 65 -10.482 -8.266 2.207 516 HZ PHE 65 HZ PHE 65 -10.805 -5.829 1.990 517 HA PRO 66 HA PRO 66 -7.992 -12.417 7.049 518 1HB PRO 66 2HB PRO 66 -10.448 -12.964 7.917 519 2HB PRO 66 1HB PRO 66 -9.280 -12.132 8.947 520 1HG PRO 66 2HG PRO 66 -11.626 -11.038 7.480 521 2HG PRO 66 1HG PRO 66 -10.941 -10.545 9.038 522 1HD PRO 66 2HD PRO 66 -10.499 -9.320 6.530 523 2HD PRO 66 1HD PRO 66 -9.628 -8.994 8.041 524 H GLN 67 H GLN 67 -9.295 -10.779 4.585 525 HA GLN 67 HA GLN 67 -10.969 -12.949 3.581 526 1HB GLN 67 2HB GLN 67 -11.522 -10.391 3.444 527 2HB GLN 67 1HB GLN 67 -10.458 -10.429 2.045 528 1HG GLN 67 2HG GLN 67 -12.823 -12.262 2.352 529 2HG GLN 67 1HG GLN 67 -12.926 -10.679 1.588 530 1HE2 GLN 67 1HE2 GLN 67 -12.049 -10.375 -0.420 531 2HE2 GLN 67 2HE2 GLN 67 -11.491 -11.672 -1.426 532 H PHE 68 H PHE 68 -8.724 -10.853 1.767 533 HA PHE 68 HA PHE 68 -7.650 -13.306 0.570 534 1HB PHE 68 2HB PHE 68 -6.889 -11.699 -1.295 535 2HB PHE 68 1HB PHE 68 -8.592 -12.120 -1.204 536 HD1 PHE 68 1HD PHE 68 -6.483 -9.531 0.524 537 HD2 PHE 68 2HD PHE 68 -9.882 -10.390 -1.899 538 HE1 PHE 68 1HE PHE 68 -7.076 -7.146 0.501 539 HE2 PHE 68 2HE PHE 68 -10.478 -8.008 -1.913 540 HZ PHE 68 HZ PHE 68 -9.076 -6.384 -0.717 541 H ASP 69 H ASP 69 -5.411 -13.346 -0.027 542 HA ASP 69 HA ASP 69 -3.740 -11.810 1.846 543 1HB ASP 69 2HB ASP 69 -3.695 -14.328 1.992 544 2HB ASP 69 1HB ASP 69 -3.021 -14.353 0.366 545 H TRP 70 H TRP 70 -3.289 -9.985 0.719 546 HA TRP 70 HA TRP 70 -2.557 -10.242 -2.102 547 1HB TRP 70 2HB TRP 70 -2.961 -7.775 -2.196 548 2HB TRP 70 1HB TRP 70 -4.376 -8.732 -1.785 549 HD1 TRP 70 HD TRP 70 -2.445 -8.503 1.316 550 HE1 TRP 70 1HE TRP 70 -3.322 -6.610 2.818 551 HE3 TRP 70 3HE TRP 70 -5.322 -6.026 -2.105 552 HZ2 TRP 70 2HZ TRP 70 -5.015 -4.359 2.584 553 HZ3 TRP 70 3HZ TRP 70 -6.539 -4.015 -1.388 554 HH2 TRP 70 HH TRP 70 -6.391 -3.198 0.909 555 H GLN 71 H GLN 71 -0.949 -8.686 -2.929 556 HA GLN 71 HA GLN 71 1.355 -8.597 -1.112 557 1HB GLN 71 2HB GLN 71 1.177 -8.615 -4.125 558 2HB GLN 71 1HB GLN 71 2.661 -8.232 -3.271 559 1HG GLN 71 2HG GLN 71 2.864 -10.481 -3.840 560 2HG GLN 71 1HG GLN 71 2.412 -10.494 -2.138 561 1HE2 GLN 71 1HE2 GLN 71 0.163 -9.856 -4.751 562 2HE2 GLN 71 2HE2 GLN 71 -0.747 -11.312 -4.573 563 H VAL 72 H VAL 72 1.862 -6.705 -0.268 564 HA VAL 72 HA VAL 72 0.809 -4.254 -1.434 565 HB VAL 72 HB VAL 72 2.293 -4.702 1.166 566 1HG1 VAL 72 1HG1 VAL 72 1.576 -2.419 1.736 567 2HG1 VAL 72 2HG1 VAL 72 0.913 -2.233 0.112 568 3HG1 VAL 72 3HG1 VAL 72 2.650 -2.438 0.337 569 1HG2 VAL 72 1HG2 VAL 72 0.116 -4.322 2.211 570 2HG2 VAL 72 2HG2 VAL 72 0.081 -5.725 1.142 571 3HG2 VAL 72 3HG2 VAL 72 -0.627 -4.196 0.618 572 H ALA 73 H ALA 73 1.986 -2.861 -2.590 573 HA ALA 73 HA ALA 73 4.917 -3.054 -2.477 574 1HB ALA 73 1HB ALA 73 5.030 -2.819 -4.896 575 2HB ALA 73 2HB ALA 73 3.270 -2.818 -4.993 576 3HB ALA 73 3HB ALA 73 4.123 -4.265 -4.451 577 H VAL 74 H VAL 74 6.019 -1.132 -2.694 578 HA VAL 74 HA VAL 74 4.405 1.309 -2.998 579 HB VAL 74 HB VAL 74 4.641 1.068 -0.616 580 1HG1 VAL 74 1HG1 VAL 74 6.822 0.849 0.484 581 2HG1 VAL 74 2HG1 VAL 74 7.604 0.740 -1.092 582 3HG1 VAL 74 3HG1 VAL 74 6.487 -0.522 -0.574 583 1HG2 VAL 74 1HG2 VAL 74 6.673 3.066 -1.617 584 2HG2 VAL 74 2HG2 VAL 74 5.912 3.068 -0.026 585 3HG2 VAL 74 3HG2 VAL 74 4.934 3.335 -1.468 586 H ALA 75 H ALA 75 5.396 2.965 -4.077 587 HA ALA 75 HA ALA 75 8.055 2.387 -5.191 588 1HB ALA 75 1HB ALA 75 6.281 2.817 -6.823 589 2HB ALA 75 2HB ALA 75 7.521 4.069 -6.891 590 3HB ALA 75 3HB ALA 75 5.984 4.393 -6.090 591 H ASP 76 H ASP 76 9.562 4.240 -5.420 592 HA ASP 76 HA ASP 76 9.826 5.557 -2.902 593 1HB ASP 76 2HB ASP 76 11.896 6.563 -3.955 594 2HB ASP 76 1HB ASP 76 11.849 4.806 -3.895 595 H LEU 77 H LEU 77 10.519 7.366 -5.824 596 HA LEU 77 HA LEU 77 8.305 9.210 -5.302 597 1HB LEU 77 2HB LEU 77 11.228 9.966 -5.363 598 2HB LEU 77 1HB LEU 77 9.936 11.130 -5.580 599 HG LEU 77 HG LEU 77 10.325 9.445 -3.105 600 1HD1 LEU 77 1HD1 LEU 77 12.124 11.079 -3.386 601 2HD1 LEU 77 2HD1 LEU 77 11.057 11.523 -2.053 602 3HD1 LEU 77 3HD1 LEU 77 10.929 12.358 -3.601 603 1HD2 LEU 77 1HD2 LEU 77 8.662 10.955 -2.139 604 2HD2 LEU 77 2HD2 LEU 77 8.004 10.051 -3.505 605 3HD2 LEU 77 3HD2 LEU 77 8.469 11.743 -3.705 606 H GLU 78 H GLU 78 11.126 8.492 -7.327 607 HA GLU 78 HA GLU 78 10.198 9.955 -9.570 608 1HB GLU 78 2HB GLU 78 12.263 7.765 -9.341 609 2HB GLU 78 1HB GLU 78 12.041 8.806 -10.732 610 1HG GLU 78 2HG GLU 78 12.666 10.744 -9.453 611 2HG GLU 78 1HG GLU 78 12.756 9.777 -7.982 612 H GLN 79 H GLN 79 9.917 6.641 -8.503 613 HA GLN 79 HA GLN 79 8.857 5.648 -10.968 614 1HB GLN 79 2HB GLN 79 9.165 4.563 -8.194 615 2HB GLN 79 1HB GLN 79 8.103 3.737 -9.323 616 1HG GLN 79 2HG GLN 79 10.462 2.868 -9.164 617 2HG GLN 79 1HG GLN 79 9.868 3.226 -10.783 618 1HE2 GLN 79 1HE2 GLN 79 11.975 4.304 -8.200 619 2HE2 GLN 79 2HE2 GLN 79 12.972 5.318 -9.192 620 H SER 80 H SER 80 7.530 7.041 -8.056 621 HA SER 80 HA SER 80 4.944 6.162 -8.062 622 1HB SER 80 2HB SER 80 5.762 9.003 -7.447 623 2HB SER 80 1HB SER 80 4.428 8.085 -6.740 624 HG SER 80 HG SER 80 6.324 8.171 -5.393 625 H GLU 81 H GLU 81 6.110 9.097 -9.773 626 HA GLU 81 HA GLU 81 3.567 9.698 -10.862 627 1HB GLU 81 2HB GLU 81 5.269 11.422 -10.655 628 2HB GLU 81 1HB GLU 81 6.312 10.561 -11.781 629 1HG GLU 81 2HG GLU 81 4.633 10.870 -13.546 630 2HG GLU 81 1HG GLU 81 3.631 11.780 -12.418 631 H ALA 82 H ALA 82 6.360 7.960 -12.145 632 HA ALA 82 HA ALA 82 5.424 7.628 -14.767 633 1HB ALA 82 1HB ALA 82 7.246 5.799 -13.211 634 2HB ALA 82 2HB ALA 82 7.750 7.254 -14.074 635 3HB ALA 82 3HB ALA 82 7.090 5.882 -14.966 636 H ILE 83 H ILE 83 5.037 5.605 -11.885 637 HA ILE 83 HA ILE 83 3.539 3.557 -13.161 638 HB ILE 83 HB ILE 83 3.576 4.382 -10.248 639 1HG1 ILE 83 2HG1 ILE 83 5.071 2.172 -11.673 640 2HG1 ILE 83 1HG1 ILE 83 5.776 3.710 -11.183 641 1HG2 ILE 83 1HG2 ILE 83 2.707 2.136 -9.792 642 2HG2 ILE 83 2HG2 ILE 83 2.595 1.829 -11.524 643 3HG2 ILE 83 3HG2 ILE 83 1.585 3.070 -10.783 644 1HD1 ILE 83 1HD1 ILE 83 6.338 1.934 -9.627 645 2HD1 ILE 83 2HD1 ILE 83 4.625 1.626 -9.342 646 3HD1 ILE 83 3HD1 ILE 83 5.339 3.160 -8.848 647 H GLY 84 H GLY 84 2.677 6.529 -11.451 648 1HA GLY 84 2HA GLY 84 -0.104 6.200 -11.422 649 2HA GLY 84 1HA GLY 84 0.731 7.744 -11.394 650 H ASP 85 H ASP 85 2.027 7.464 -13.914 651 HA ASP 85 HA ASP 85 0.094 8.544 -15.634 652 1HB ASP 85 2HB ASP 85 2.549 8.894 -15.827 653 2HB ASP 85 1HB ASP 85 2.715 7.243 -16.400 654 H ARG 86 H ARG 86 1.379 5.309 -15.305 655 HA ARG 86 HA ARG 86 0.362 3.976 -17.479 656 1HB ARG 86 2HB ARG 86 1.780 2.899 -15.825 657 2HB ARG 86 1HB ARG 86 0.525 3.039 -14.611 658 1HG ARG 86 2HG ARG 86 0.531 0.788 -15.307 659 2HG ARG 86 1HG ARG 86 -0.890 1.530 -16.042 660 1HD ARG 86 2HD ARG 86 1.742 1.170 -17.473 661 2HD ARG 86 1HD ARG 86 0.431 -0.007 -17.533 662 HE ARG 86 HE ARG 86 0.375 2.704 -18.665 663 1HH1 ARG 86 1HH1 ARG 86 -0.992 -0.523 -18.417 664 2HH1 ARG 86 2HH1 ARG 86 -2.132 -0.260 -19.699 665 1HH2 ARG 86 1HH2 ARG 86 -1.121 3.041 -20.344 666 2HH2 ARG 86 2HH2 ARG 86 -2.224 1.760 -20.781 667 H PHE 87 H PHE 87 -1.352 4.607 -14.419 668 HA PHE 87 HA PHE 87 -3.833 3.787 -15.771 669 1HB PHE 87 2HB PHE 87 -4.723 3.800 -13.317 670 2HB PHE 87 1HB PHE 87 -3.757 2.451 -13.896 671 HD1 PHE 87 1HD PHE 87 -3.488 5.657 -12.033 672 HD2 PHE 87 2HD PHE 87 -1.892 1.779 -12.732 673 HE1 PHE 87 1HE PHE 87 -1.948 5.953 -10.139 674 HE2 PHE 87 2HE PHE 87 -0.349 2.065 -10.840 675 HZ PHE 87 HZ PHE 87 -0.374 4.154 -9.539 676 H ASN 88 H ASN 88 -2.294 6.473 -15.585 677 HA ASN 88 HA ASN 88 -2.841 8.637 -15.892 678 1HB ASN 88 2HB ASN 88 -5.549 7.374 -16.174 679 2HB ASN 88 1HB ASN 88 -5.345 9.113 -16.247 680 1HD2 ASN 88 1HD2 ASN 88 -2.920 6.917 -17.453 681 2HD2 ASN 88 2HD2 ASN 88 -3.168 7.263 -19.127 682 H VAL 89 H VAL 89 -2.870 7.373 -13.154 683 HA VAL 89 HA VAL 89 -4.305 9.569 -11.807 684 HB VAL 89 HB VAL 89 -3.799 6.811 -10.665 685 1HG1 VAL 89 1HG1 VAL 89 -5.190 7.567 -8.796 686 2HG1 VAL 89 2HG1 VAL 89 -5.298 9.168 -9.523 687 3HG1 VAL 89 3HG1 VAL 89 -3.741 8.559 -8.963 688 1HG2 VAL 89 1HG2 VAL 89 -6.206 6.495 -10.796 689 2HG2 VAL 89 2HG2 VAL 89 -5.539 6.811 -12.398 690 3HG2 VAL 89 3HG2 VAL 89 -6.393 8.086 -11.531 691 H ARG 90 H ARG 90 -2.604 10.956 -11.702 692 HA ARG 90 HA ARG 90 -0.346 10.105 -10.027 693 1HB ARG 90 2HB ARG 90 1.075 11.645 -11.540 694 2HB ARG 90 1HB ARG 90 0.672 10.038 -12.130 695 1HG ARG 90 2HG ARG 90 -1.184 11.019 -13.431 696 2HG ARG 90 1HG ARG 90 -0.673 12.622 -12.892 697 1HD ARG 90 2HD ARG 90 1.141 10.719 -14.359 698 2HD ARG 90 1HD ARG 90 0.134 11.912 -15.177 699 HE ARG 90 HE ARG 90 2.288 12.577 -13.273 700 1HH1 ARG 90 1HH1 ARG 90 0.395 13.230 -16.133 701 2HH1 ARG 90 2HH1 ARG 90 1.182 14.747 -16.474 702 1HH2 ARG 90 1HH2 ARG 90 3.385 14.529 -13.721 703 2HH2 ARG 90 2HH2 ARG 90 2.889 15.494 -15.088 704 H ARG 91 H ARG 91 -2.821 11.670 -9.583 705 HA ARG 91 HA ARG 91 -1.644 14.242 -8.794 706 1HB ARG 91 2HB ARG 91 -3.620 14.606 -10.073 707 2HB ARG 91 1HB ARG 91 -4.508 13.373 -9.191 708 1HG ARG 91 2HG ARG 91 -4.596 14.743 -7.234 709 2HG ARG 91 1HG ARG 91 -3.512 15.930 -7.962 710 1HD ARG 91 2HD ARG 91 -5.145 16.616 -9.519 711 2HD ARG 91 1HD ARG 91 -6.162 15.216 -9.184 712 HE ARG 91 HE ARG 91 -6.912 16.238 -7.220 713 1HH1 ARG 91 1HH1 ARG 91 -4.491 18.235 -8.799 714 2HH1 ARG 91 2HH1 ARG 91 -4.976 19.678 -7.962 715 1HH2 ARG 91 1HH2 ARG 91 -7.532 18.122 -6.131 716 2HH2 ARG 91 2HH2 ARG 91 -6.693 19.617 -6.444 717 H PHE 92 H PHE 92 -0.837 14.203 -6.837 718 HA PHE 92 HA PHE 92 -0.579 13.952 -4.604 719 1HB PHE 92 2HB PHE 92 -3.481 13.131 -4.715 720 2HB PHE 92 1HB PHE 92 -2.565 13.190 -3.215 721 HD1 PHE 92 1HD PHE 92 -1.305 15.482 -2.806 722 HD2 PHE 92 2HD PHE 92 -4.701 14.977 -5.321 723 HE1 PHE 92 1HE PHE 92 -1.828 17.873 -2.571 724 HE2 PHE 92 2HE PHE 92 -5.227 17.372 -5.095 725 HZ PHE 92 HZ PHE 92 -3.791 18.820 -3.720 726 HA PRO 93 HA PRO 93 0.667 9.732 -4.130 727 1HB PRO 93 2HB PRO 93 0.834 10.083 -1.245 728 2HB PRO 93 1HB PRO 93 2.142 9.919 -2.416 729 1HG PRO 93 2HG PRO 93 1.627 12.231 -1.091 730 2HG PRO 93 1HG PRO 93 2.338 12.184 -2.714 731 1HD PRO 93 2HD PRO 93 -0.494 12.725 -1.900 732 2HD PRO 93 1HD PRO 93 0.491 13.513 -3.152 733 H ALA 94 H ALA 94 -0.897 8.244 -4.393 734 HA ALA 94 HA ALA 94 -2.790 7.816 -2.183 735 1HB ALA 94 1HB ALA 94 -3.424 7.661 -5.128 736 2HB ALA 94 2HB ALA 94 -3.939 8.941 -4.028 737 3HB ALA 94 3HB ALA 94 -4.536 7.295 -3.809 738 H THR 95 H THR 95 -3.908 5.576 -2.511 739 HA THR 95 HA THR 95 -1.907 3.632 -3.475 740 HB THR 95 HB THR 95 -3.733 3.252 -1.091 741 HG1 THR 95 1HG THR 95 -1.414 4.611 -1.275 742 1HG2 THR 95 1HG2 THR 95 -1.379 1.651 -2.094 743 2HG2 THR 95 2HG2 THR 95 -3.075 1.179 -2.199 744 3HG2 THR 95 3HG2 THR 95 -2.294 1.320 -0.624 745 H LEU 96 H LEU 96 -2.739 2.374 -5.047 746 HA LEU 96 HA LEU 96 -5.639 2.397 -5.392 747 1HB LEU 96 2HB LEU 96 -3.404 1.656 -7.268 748 2HB LEU 96 1HB LEU 96 -5.100 1.459 -7.653 749 HG LEU 96 HG LEU 96 -5.249 4.004 -7.107 750 1HD1 LEU 96 1HD1 LEU 96 -3.217 5.236 -7.679 751 2HD1 LEU 96 2HD1 LEU 96 -2.322 3.717 -7.759 752 3HD1 LEU 96 3HD1 LEU 96 -3.005 4.260 -6.226 753 1HD2 LEU 96 1HD2 LEU 96 -4.747 4.529 -9.447 754 2HD2 LEU 96 2HD2 LEU 96 -5.687 3.046 -9.286 755 3HD2 LEU 96 3HD2 LEU 96 -3.958 2.963 -9.620 756 H VAL 97 H VAL 97 -6.848 0.542 -5.634 757 HA VAL 97 HA VAL 97 -5.672 -1.784 -4.287 758 HB VAL 97 HB VAL 97 -8.590 -1.139 -4.738 759 1HG1 VAL 97 1HG1 VAL 97 -7.284 -3.198 -2.956 760 2HG1 VAL 97 2HG1 VAL 97 -8.127 -3.536 -4.467 761 3HG1 VAL 97 3HG1 VAL 97 -9.015 -2.887 -3.089 762 1HG2 VAL 97 1HG2 VAL 97 -7.518 0.510 -3.275 763 2HG2 VAL 97 2HG2 VAL 97 -6.921 -0.795 -2.246 764 3HG2 VAL 97 3HG2 VAL 97 -8.654 -0.507 -2.386 765 H PHE 98 H PHE 98 -5.015 -3.352 -5.558 766 HA PHE 98 HA PHE 98 -6.448 -3.854 -8.073 767 1HB PHE 98 2HB PHE 98 -3.616 -4.573 -7.268 768 2HB PHE 98 1HB PHE 98 -4.371 -4.998 -8.803 769 HD1 PHE 98 1HD PHE 98 -3.115 -2.213 -6.747 770 HD2 PHE 98 2HD PHE 98 -4.591 -3.413 -10.554 771 HE1 PHE 98 1HE PHE 98 -2.410 -0.056 -7.696 772 HE2 PHE 98 2HE PHE 98 -3.882 -1.260 -11.506 773 HZ PHE 98 HZ PHE 98 -2.807 0.423 -10.081 774 H THR 99 H THR 99 -7.704 -5.549 -8.078 775 HA THR 99 HA THR 99 -6.905 -8.001 -6.749 776 HB THR 99 HB THR 99 -9.505 -8.023 -5.978 777 HG1 THR 99 1HG THR 99 -8.591 -5.338 -5.693 778 1HG2 THR 99 1HG2 THR 99 -7.576 -8.573 -4.559 779 2HG2 THR 99 2HG2 THR 99 -8.723 -7.533 -3.714 780 3HG2 THR 99 3HG2 THR 99 -7.230 -6.855 -4.365 781 H ASP 100 H ASP 100 -8.045 -9.843 -7.565 782 HA ASP 100 HA ASP 100 -8.935 -11.115 -9.235 783 1HB ASP 100 2HB ASP 100 -10.421 -8.556 -9.805 784 2HB ASP 100 1HB ASP 100 -10.591 -9.967 -10.832 785 H GLY 101 H GLY 101 -6.595 -9.122 -9.526 786 1HA GLY 101 2HA GLY 101 -4.947 -8.887 -11.137 787 2HA GLY 101 1HA GLY 101 -5.968 -9.767 -12.268 788 H LYS 102 H LYS 102 -7.573 -7.240 -10.702 789 HA LYS 102 HA LYS 102 -7.080 -5.405 -12.948 790 1HB LYS 102 2HB LYS 102 -9.759 -6.233 -11.824 791 2HB LYS 102 1HB LYS 102 -9.526 -4.905 -12.949 792 1HG LYS 102 2HG LYS 102 -8.807 -6.390 -14.669 793 2HG LYS 102 1HG LYS 102 -8.753 -7.750 -13.544 794 1HD LYS 102 2HD LYS 102 -11.153 -7.647 -13.254 795 2HD LYS 102 1HD LYS 102 -11.241 -6.215 -14.283 796 1HE LYS 102 2HE LYS 102 -10.483 -7.498 -16.188 797 2HE LYS 102 1HE LYS 102 -10.268 -8.928 -15.178 798 1HZ LYS 102 1HZ LYS 102 -12.393 -8.764 -16.541 799 2HZ LYS 102 2HZ LYS 102 -12.893 -7.588 -15.423 800 3HZ LYS 102 3HZ LYS 102 -12.558 -9.167 -14.906 801 H LEU 103 H LEU 103 -7.963 -3.198 -12.498 802 HA LEU 103 HA LEU 103 -7.313 -2.406 -9.784 803 1HB LEU 103 2HB LEU 103 -6.407 -1.147 -11.689 804 2HB LEU 103 1HB LEU 103 -8.034 -0.771 -12.222 805 HG LEU 103 HG LEU 103 -8.403 0.577 -10.224 806 1HD1 LEU 103 1HD1 LEU 103 -6.580 1.048 -8.672 807 2HD1 LEU 103 2HD1 LEU 103 -5.572 -0.137 -9.504 808 3HD1 LEU 103 3HD1 LEU 103 -7.027 -0.659 -8.657 809 1HD2 LEU 103 1HD2 LEU 103 -5.845 1.257 -11.661 810 2HD2 LEU 103 2HD2 LEU 103 -6.817 2.383 -10.714 811 3HD2 LEU 103 3HD2 LEU 103 -7.478 1.668 -12.184 812 H ARG 104 H ARG 104 -8.880 -2.561 -8.323 813 HA ARG 104 HA ARG 104 -11.667 -2.449 -9.093 814 1HB ARG 104 2HB ARG 104 -10.240 -2.917 -6.482 815 2HB ARG 104 1HB ARG 104 -11.988 -2.767 -6.575 816 1HG ARG 104 2HG ARG 104 -10.631 -4.743 -8.332 817 2HG ARG 104 1HG ARG 104 -10.802 -5.105 -6.617 818 1HD ARG 104 2HD ARG 104 -13.276 -4.521 -6.937 819 2HD ARG 104 1HD ARG 104 -12.949 -4.649 -8.664 820 HE ARG 104 HE ARG 104 -11.995 -6.981 -7.829 821 1HH1 ARG 104 1HH1 ARG 104 -14.992 -5.378 -6.953 822 2HH1 ARG 104 2HH1 ARG 104 -15.835 -6.861 -6.640 823 1HH2 ARG 104 1HH2 ARG 104 -13.101 -8.930 -7.395 824 2HH2 ARG 104 2HH2 ARG 104 -14.768 -8.865 -6.868 825 H GLY 105 H GLY 105 -9.347 -0.461 -7.338 826 1HA GLY 105 2HA GLY 105 -10.586 1.967 -7.829 827 2HA GLY 105 1HA GLY 105 -11.243 1.389 -6.305 828 H ALA 106 H ALA 106 -10.308 2.920 -4.989 829 HA ALA 106 HA ALA 106 -7.389 2.770 -4.738 830 1HB ALA 106 1HB ALA 106 -7.878 4.777 -6.032 831 2HB ALA 106 2HB ALA 106 -7.260 5.198 -4.434 832 3HB ALA 106 3HB ALA 106 -8.985 5.331 -4.775 833 H LEU 107 H LEU 107 -6.604 3.645 -2.652 834 HA LEU 107 HA LEU 107 -8.538 3.018 -0.502 835 1HB LEU 107 2HB LEU 107 -6.092 1.889 -1.073 836 2HB LEU 107 1HB LEU 107 -5.666 3.082 0.135 837 HG LEU 107 HG LEU 107 -6.076 0.814 1.060 838 1HD1 LEU 107 1HD1 LEU 107 -7.469 1.512 2.924 839 2HD1 LEU 107 2HD1 LEU 107 -8.026 2.909 2.004 840 3HD1 LEU 107 3HD1 LEU 107 -6.331 2.783 2.481 841 1HD2 LEU 107 1HD2 LEU 107 -7.848 0.134 -0.475 842 2HD2 LEU 107 2HD2 LEU 107 -8.929 1.329 0.242 843 3HD2 LEU 107 3HD2 LEU 107 -8.349 -0.029 1.208 844 H SER 108 H SER 108 -7.752 5.581 -2.013 845 HA SER 108 HA SER 108 -7.207 7.201 0.369 846 1HB SER 108 2HB SER 108 -6.082 7.768 -2.380 847 2HB SER 108 1HB SER 108 -5.711 8.610 -0.876 848 HG SER 108 HG SER 108 -4.991 6.420 -0.142 849 H GLY 109 H GLY 109 -9.280 7.866 0.649 850 1HA GLY 109 2HA GLY 109 -10.350 9.630 -1.473 851 2HA GLY 109 1HA GLY 109 -11.384 8.689 -0.399 852 H ILE 110 H ILE 110 -10.995 9.101 1.976 853 HA ILE 110 HA ILE 110 -9.875 11.713 2.577 854 HB ILE 110 HB ILE 110 -12.174 12.311 2.280 855 1HG1 ILE 110 2HG1 ILE 110 -11.673 12.005 5.243 856 2HG1 ILE 110 1HG1 ILE 110 -10.993 13.277 4.231 857 1HG2 ILE 110 1HG2 ILE 110 -13.215 10.138 2.392 858 2HG2 ILE 110 2HG2 ILE 110 -14.018 11.252 3.500 859 3HG2 ILE 110 3HG2 ILE 110 -12.895 10.042 4.124 860 1HD1 ILE 110 1HD1 ILE 110 -12.903 14.084 5.479 861 2HD1 ILE 110 2HD1 ILE 110 -13.915 12.813 4.794 862 3HD1 ILE 110 3HD1 ILE 110 -13.258 14.077 3.753 863 H HIS 111 H HIS 111 -8.259 10.958 3.756 864 HA HIS 111 HA HIS 111 -7.061 9.999 5.416 865 1HB HIS 111 2HB HIS 111 -9.771 9.544 6.669 866 2HB HIS 111 1HB HIS 111 -8.267 9.040 7.432 867 HD1 HIS 111 1HD HIS 111 -6.672 10.933 8.284 868 HD2 HIS 111 2HD HIS 111 -10.331 12.262 6.803 869 HE1 HIS 111 1HE HIS 111 -6.896 13.321 9.051 870 HE2 HIS 111 2HE HIS 111 -9.161 14.070 8.242 871 HA PRO 112 HA PRO 112 -6.537 5.968 3.803 872 1HB PRO 112 2HB PRO 112 -5.194 4.838 5.962 873 2HB PRO 112 1HB PRO 112 -4.447 5.772 4.661 874 1HG PRO 112 2HG PRO 112 -5.268 6.641 7.397 875 2HG PRO 112 1HG PRO 112 -3.837 7.098 6.453 876 1HD PRO 112 2HD PRO 112 -5.924 8.755 6.688 877 2HD PRO 112 1HD PRO 112 -5.023 8.628 5.162 878 H TRP 113 H TRP 113 -7.564 6.090 7.222 879 HA TRP 113 HA TRP 113 -9.178 3.698 6.664 880 1HB TRP 113 2HB TRP 113 -7.255 3.537 8.391 881 2HB TRP 113 1HB TRP 113 -8.322 4.470 9.438 882 HD1 TRP 113 HD TRP 113 -10.974 3.256 9.513 883 HE1 TRP 113 1HE TRP 113 -11.458 0.767 9.975 884 HE3 TRP 113 3HE TRP 113 -6.402 1.309 8.327 885 HZ2 TRP 113 2HZ TRP 113 -10.084 -1.697 9.831 886 HZ3 TRP 113 3HZ TRP 113 -6.068 -1.124 8.510 887 HH2 TRP 113 HH TRP 113 -7.870 -2.593 9.247 888 H ALA 114 H ALA 114 -11.093 4.477 6.197 889 HA ALA 114 HA ALA 114 -12.851 5.242 8.246 890 1HB ALA 114 1HB ALA 114 -13.477 7.495 7.498 891 2HB ALA 114 2HB ALA 114 -12.161 7.477 6.325 892 3HB ALA 114 3HB ALA 114 -11.803 7.453 8.053 893 H GLU 115 H GLU 115 -12.392 5.934 4.804 894 HA GLU 115 HA GLU 115 -15.081 5.229 4.150 895 1HB GLU 115 2HB GLU 115 -12.655 5.957 2.548 896 2HB GLU 115 1HB GLU 115 -14.093 5.334 1.751 897 1HG GLU 115 2HG GLU 115 -14.068 7.733 3.562 898 2HG GLU 115 1HG GLU 115 -13.950 7.804 1.804 899 H LEU 116 H LEU 116 -12.395 3.378 4.831 900 HA LEU 116 HA LEU 116 -12.526 1.221 3.097 901 1HB LEU 116 2HB LEU 116 -11.788 1.509 5.974 902 2HB LEU 116 1HB LEU 116 -11.929 -0.101 5.293 903 HG LEU 116 HG LEU 116 -10.141 2.035 4.138 904 1HD1 LEU 116 1HD1 LEU 116 -9.438 -0.234 5.995 905 2HD1 LEU 116 2HD1 LEU 116 -9.434 1.481 6.414 906 3HD1 LEU 116 3HD1 LEU 116 -8.299 0.862 5.214 907 1HD2 LEU 116 1HD2 LEU 116 -10.818 0.284 2.583 908 2HD2 LEU 116 2HD2 LEU 116 -10.294 -0.949 3.730 909 3HD2 LEU 116 3HD2 LEU 116 -9.111 0.133 2.994 910 H LEU 117 H LEU 117 -14.617 2.102 5.743 911 HA LEU 117 HA LEU 117 -16.075 -0.277 6.005 912 1HB LEU 117 2HB LEU 117 -16.851 2.603 6.461 913 2HB LEU 117 1HB LEU 117 -17.859 1.241 6.923 914 HG LEU 117 HG LEU 117 -15.100 1.845 7.993 915 1HD1 LEU 117 1HD1 LEU 117 -16.788 3.406 8.798 916 2HD1 LEU 117 2HD1 LEU 117 -16.261 2.322 10.087 917 3HD1 LEU 117 3HD1 LEU 117 -17.813 2.057 9.291 918 1HD2 LEU 117 1HD2 LEU 117 -15.518 -0.551 7.901 919 2HD2 LEU 117 2HD2 LEU 117 -17.056 -0.328 8.736 920 3HD2 LEU 117 3HD2 LEU 117 -15.540 0.024 9.568 921 H THR 118 H THR 118 -16.390 2.429 3.774 922 HA THR 118 HA THR 118 -18.756 1.292 2.530 923 HB THR 118 HB THR 118 -17.121 3.598 1.455 924 HG1 THR 118 1HG THR 118 -17.961 4.918 2.941 925 1HG2 THR 118 1HG2 THR 118 -19.282 4.353 0.601 926 2HG2 THR 118 2HG2 THR 118 -20.079 2.982 1.370 927 3HG2 THR 118 3HG2 THR 118 -18.939 2.713 0.051 928 H LEU 119 H LEU 119 -15.307 1.639 1.925 929 HA LEU 119 HA LEU 119 -15.083 0.790 -0.699 930 1HB LEU 119 2HB LEU 119 -13.369 0.739 1.709 931 2HB LEU 119 1HB LEU 119 -12.899 -0.335 0.410 932 HG LEU 119 HG LEU 119 -11.861 2.013 0.541 933 1HD1 LEU 119 1HD1 LEU 119 -11.765 2.144 -1.925 934 2HD1 LEU 119 2HD1 LEU 119 -13.054 0.942 -2.007 935 3HD1 LEU 119 3HD1 LEU 119 -11.490 0.513 -1.311 936 1HD2 LEU 119 1HD2 LEU 119 -14.490 2.691 -0.762 937 2HD2 LEU 119 2HD2 LEU 119 -13.079 3.748 -0.680 938 3HD2 LEU 119 3HD2 LEU 119 -13.920 3.282 0.799 939 H MET 120 H MET 120 -15.082 -1.186 2.245 940 HA MET 120 HA MET 120 -14.788 -3.669 0.926 941 1HB MET 120 2HB MET 120 -15.344 -4.692 3.049 942 2HB MET 120 1HB MET 120 -14.265 -3.330 3.311 943 1HG MET 120 2HG MET 120 -16.135 -1.958 4.024 944 2HG MET 120 1HG MET 120 -17.249 -3.283 3.699 945 1HE MET 120 1HE MET 120 -14.253 -2.054 5.966 946 2HE MET 120 2HE MET 120 -13.654 -3.544 5.239 947 3HE MET 120 3HE MET 120 -13.992 -3.484 6.969 948 H ARG 121 H ARG 121 -17.448 -1.603 1.134 949 HA ARG 121 HA ARG 121 -19.357 -3.774 0.673 950 1HB ARG 121 2HB ARG 121 -19.910 -1.934 2.306 951 2HB ARG 121 1HB ARG 121 -19.896 -0.813 0.955 952 1HG ARG 121 2HG ARG 121 -22.135 -1.267 1.113 953 2HG ARG 121 1HG ARG 121 -21.628 -2.443 -0.095 954 1HD ARG 121 2HD ARG 121 -22.320 -2.885 2.792 955 2HD ARG 121 1HD ARG 121 -23.032 -3.625 1.365 956 HE ARG 121 HE ARG 121 -20.744 -4.517 2.834 957 1HH1 ARG 121 1HH1 ARG 121 -22.205 -4.532 -0.371 958 2HH1 ARG 121 2HH1 ARG 121 -21.422 -6.008 -0.842 959 1HH2 ARG 121 1HH2 ARG 121 -19.722 -6.443 2.191 960 2HH2 ARG 121 2HH2 ARG 121 -20.004 -7.095 0.612 961 H SER 122 H SER 122 -18.377 -0.668 -0.733 962 HA SER 122 HA SER 122 -20.038 -0.996 -3.034 963 1HB SER 122 2HB SER 122 -19.540 1.200 -1.985 964 2HB SER 122 1HB SER 122 -17.865 1.042 -2.504 965 HG SER 122 HG SER 122 -18.771 2.203 -4.087 966 H ILE 123 H ILE 123 -16.492 -1.009 -2.548 967 HA ILE 123 HA ILE 123 -16.176 -1.574 -5.392 968 HB ILE 123 HB ILE 123 -14.170 -0.813 -3.275 969 1HG1 ILE 123 2HG1 ILE 123 -15.269 0.615 -5.707 970 2HG1 ILE 123 1HG1 ILE 123 -15.588 1.015 -4.023 971 1HG2 ILE 123 1HG2 ILE 123 -13.124 -2.359 -4.841 972 2HG2 ILE 123 2HG2 ILE 123 -12.503 -0.723 -5.059 973 3HG2 ILE 123 3HG2 ILE 123 -13.682 -1.375 -6.195 974 1HD1 ILE 123 1HD1 ILE 123 -12.909 1.193 -5.381 975 2HD1 ILE 123 2HD1 ILE 123 -13.270 1.652 -3.717 976 3HD1 ILE 123 3HD1 ILE 123 -13.992 2.546 -5.055 977 H VAL 124 H VAL 124 -15.081 -2.953 -2.287 978 HA VAL 124 HA VAL 124 -14.520 -5.445 -3.748 979 HB VAL 124 HB VAL 124 -13.103 -6.048 -1.723 980 1HG1 VAL 124 1HG1 VAL 124 -12.254 -3.707 -3.426 981 2HG1 VAL 124 2HG1 VAL 124 -12.147 -5.410 -3.873 982 3HG1 VAL 124 3HG1 VAL 124 -11.176 -4.781 -2.540 983 1HG2 VAL 124 1HG2 VAL 124 -13.945 -4.381 -0.162 984 2HG2 VAL 124 2HG2 VAL 124 -13.367 -3.085 -1.206 985 3HG2 VAL 124 3HG2 VAL 124 -12.214 -4.161 -0.418 986 H ASP 125 H ASP 125 -16.973 -5.439 -3.470 987 HA ASP 125 HA ASP 125 -18.315 -5.915 -1.126 988 1HB ASP 125 2HB ASP 125 -19.811 -7.368 -2.686 989 2HB ASP 125 1HB ASP 125 -19.670 -5.645 -2.992 990 H THR 126 H THR 126 -17.154 -8.462 -3.330 991 HA THR 126 HA THR 126 -16.183 -10.479 -2.942 992 HB THR 126 HB THR 126 -16.202 -9.760 -0.009 993 HG1 THR 126 1HG THR 126 -14.945 -8.281 -1.137 994 1HG2 THR 126 1HG2 THR 126 -14.689 -11.860 -1.563 995 2HG2 THR 126 2HG2 THR 126 -15.931 -12.142 -0.343 996 3HG2 THR 126 3HG2 THR 126 -14.381 -11.439 0.124 997 HA PRO 127 HA PRO 127 -19.981 -12.730 -2.367 998 1HB PRO 127 2HB PRO 127 -18.301 -15.077 -2.959 999 2HB PRO 127 1HB PRO 127 -19.705 -14.454 -3.831 1000 1HG PRO 127 2HG PRO 127 -17.230 -14.247 -4.832 1001 2HG PRO 127 1HG PRO 127 -18.433 -12.968 -5.071 1002 1HD PRO 127 2HD PRO 127 -16.156 -13.087 -3.127 1003 2HD PRO 127 1HD PRO 127 -16.718 -11.723 -4.119 1004 H ALA 128 H ALA 128 -20.903 -14.078 -0.898 1005 HA ALA 128 HA ALA 128 -21.253 -15.248 0.988 1006 1HB ALA 128 1HB ALA 128 -19.817 -16.896 -0.129 1007 2HB ALA 128 2HB ALA 128 -19.693 -16.965 1.629 1008 3HB ALA 128 3HB ALA 128 -18.415 -16.199 0.686 1009 H ALA 129 H ALA 129 -17.880 -14.990 1.919 1010 HA ALA 129 HA ALA 129 -18.852 -13.691 4.363 1011 1HB ALA 129 1HB ALA 129 -17.865 -15.905 4.639 1012 2HB ALA 129 2HB ALA 129 -16.917 -14.668 5.467 1013 3HB ALA 129 3HB ALA 129 -16.361 -15.324 3.926 1014 H GLN 130 H GLN 130 -18.335 -11.669 4.757 1015 HA GLN 130 HA GLN 130 -15.760 -10.566 4.524 1016 1HB GLN 130 2HB GLN 130 -17.064 -10.613 2.067 1017 2HB GLN 130 1HB GLN 130 -17.397 -8.995 2.667 1018 1HG GLN 130 2HG GLN 130 -14.629 -10.156 2.530 1019 2HG GLN 130 1HG GLN 130 -15.364 -9.251 1.210 1020 1HE2 GLN 130 1HE2 GLN 130 -15.693 -7.038 1.437 1021 2HE2 GLN 130 2HE2 GLN 130 -14.923 -6.123 2.686 1022 H GLU 131 H GLU 131 -15.900 -8.106 4.893 1023 HA GLU 131 HA GLU 131 -16.776 -6.201 5.766 1024 1HB GLU 131 2HB GLU 131 -18.788 -6.629 4.437 1025 2HB GLU 131 1HB GLU 131 -19.416 -7.666 5.710 1026 1HG GLU 131 2HG GLU 131 -19.438 -5.711 7.224 1027 2HG GLU 131 1HG GLU 131 -18.939 -4.702 5.865 1028 H THR 132 H THR 132 -18.623 -8.820 7.337 1029 HA THR 132 HA THR 132 -18.553 -7.571 9.870 1030 HB THR 132 HB THR 132 -20.350 -9.077 9.405 1031 HG1 THR 132 1HG THR 132 -18.960 -10.682 11.222 1032 1HG2 THR 132 1HG2 THR 132 -18.296 -11.271 9.107 1033 2HG2 THR 132 2HG2 THR 132 -19.233 -10.544 7.800 1034 3HG2 THR 132 3HG2 THR 132 -20.047 -11.479 9.057 1035 H VAL 133 H VAL 133 -16.706 -7.202 10.900 1036 HA VAL 133 HA VAL 133 -14.939 -9.492 11.378 1037 HB VAL 133 HB VAL 133 -13.015 -7.760 11.426 1038 1HG1 VAL 133 1HG1 VAL 133 -13.200 -9.583 9.812 1039 2HG1 VAL 133 2HG1 VAL 133 -12.576 -8.122 9.049 1040 3HG1 VAL 133 3HG1 VAL 133 -14.257 -8.594 8.807 1041 1HG2 VAL 133 1HG2 VAL 133 -13.286 -5.910 9.820 1042 2HG2 VAL 133 2HG2 VAL 133 -14.346 -5.739 11.219 1043 3HG2 VAL 133 3HG2 VAL 133 -15.001 -6.301 9.682 1044 H GLN 134 H GLN 134 -14.846 -6.097 12.479 1045 HA GLN 134 HA GLN 134 -15.660 -6.749 15.142 1046 1HB GLN 134 2HB GLN 134 -13.368 -7.678 15.141 1047 2HB GLN 134 1HB GLN 134 -12.742 -6.109 14.656 1048 1HG GLN 134 2HG GLN 134 -13.553 -5.147 16.754 1049 2HG GLN 134 1HG GLN 134 -14.149 -6.731 17.241 1050 1HE2 GLN 134 1HE2 GLN 134 -12.168 -4.970 18.460 1051 2HE2 GLN 134 2HE2 GLN 134 -10.717 -5.904 18.609 Start of MODEL 17 1 1H MET 1 1HT MET 1 24.291 -4.001 12.985 2 2H MET 1 2HT MET 1 24.531 -5.661 13.243 3 3H MET 1 3HT MET 1 24.619 -4.580 14.546 4 HA MET 1 HA MET 1 22.193 -5.140 12.948 5 1HB MET 1 2HB MET 1 23.140 -6.102 15.635 6 2HB MET 1 1HB MET 1 21.426 -6.018 15.260 7 1HG MET 1 2HG MET 1 21.767 -7.536 13.376 8 2HG MET 1 1HG MET 1 23.484 -7.630 13.769 9 1HE MET 1 1HE MET 1 21.365 -10.119 13.499 10 2HE MET 1 2HE MET 1 21.933 -11.144 14.816 11 3HE MET 1 3HE MET 1 23.098 -10.343 13.760 12 H ALA 2 H ALA 2 20.438 -3.905 13.406 13 HA ALA 2 HA ALA 2 19.118 -2.278 14.236 14 1HB ALA 2 1HB ALA 2 19.346 -3.577 16.307 15 2HB ALA 2 2HB ALA 2 19.123 -1.854 16.611 16 3HB ALA 2 3HB ALA 2 20.725 -2.577 16.765 17 H ASN 3 H ASN 3 20.608 -1.115 12.588 18 HA ASN 3 HA ASN 3 20.967 1.484 13.850 19 1HB ASN 3 2HB ASN 3 23.276 0.481 13.614 20 2HB ASN 3 1HB ASN 3 23.021 0.451 11.874 21 1HD2 ASN 3 1HD2 ASN 3 25.003 1.880 13.496 22 2HD2 ASN 3 2HD2 ASN 3 24.827 3.553 13.093 23 H ASP 4 H ASP 4 18.982 1.930 12.941 24 HA ASP 4 HA ASP 4 18.943 2.092 10.002 25 1HB ASP 4 2HB ASP 4 16.610 1.266 11.749 26 2HB ASP 4 1HB ASP 4 16.579 1.448 9.999 27 H THR 5 H THR 5 19.392 4.272 10.043 28 HA THR 5 HA THR 5 17.716 6.103 11.505 29 HB THR 5 HB THR 5 20.091 6.641 11.010 30 HG1 THR 5 1HG THR 5 18.386 8.481 9.662 31 1HG2 THR 5 1HG2 THR 5 20.779 7.289 8.767 32 2HG2 THR 5 2HG2 THR 5 19.179 6.890 8.145 33 3HG2 THR 5 3HG2 THR 5 20.219 5.615 8.780 34 HA PRO 6 HA PRO 6 14.379 6.362 8.591 35 1HB PRO 6 2HB PRO 6 14.348 9.273 9.159 36 2HB PRO 6 1HB PRO 6 13.059 8.076 9.333 37 1HG PRO 6 2HG PRO 6 14.301 9.043 11.479 38 2HG PRO 6 1HG PRO 6 13.851 7.331 11.386 39 1HD PRO 6 2HD PRO 6 16.526 8.610 10.971 40 2HD PRO 6 1HD PRO 6 16.116 7.114 11.836 41 H PHE 7 H PHE 7 15.874 5.949 6.893 42 HA PHE 7 HA PHE 7 15.793 7.942 4.832 43 1HB PHE 7 2HB PHE 7 18.408 7.083 6.063 44 2HB PHE 7 1HB PHE 7 18.326 7.507 4.359 45 HD1 PHE 7 1HD PHE 7 17.138 9.836 3.885 46 HD2 PHE 7 2HD PHE 7 18.974 8.720 7.566 47 HE1 PHE 7 1HE PHE 7 17.412 12.208 4.466 48 HE2 PHE 7 2HE PHE 7 19.242 11.096 8.152 49 HZ PHE 7 HZ PHE 7 18.462 12.841 6.601 50 H SER 8 H SER 8 17.814 6.528 3.262 51 HA SER 8 HA SER 8 16.249 4.493 2.161 52 1HB SER 8 2HB SER 8 19.234 4.890 1.891 53 2HB SER 8 1HB SER 8 18.197 3.982 0.791 54 HG SER 8 HG SER 8 17.019 6.247 0.890 55 H ALA 9 H ALA 9 18.250 4.438 4.931 56 HA ALA 9 HA ALA 9 18.890 1.683 5.018 57 1HB ALA 9 1HB ALA 9 19.968 3.330 6.468 58 2HB ALA 9 2HB ALA 9 19.232 2.033 7.411 59 3HB ALA 9 3HB ALA 9 18.439 3.605 7.302 60 H LEU 10 H LEU 10 16.017 3.510 5.757 61 HA LEU 10 HA LEU 10 14.647 1.400 7.128 62 1HB LEU 10 2HB LEU 10 14.211 3.972 7.170 63 2HB LEU 10 1HB LEU 10 13.309 3.687 5.697 64 HG LEU 10 HG LEU 10 11.916 3.823 7.765 65 1HD1 LEU 10 1HD1 LEU 10 10.511 1.891 7.261 66 2HD1 LEU 10 2HD1 LEU 10 11.819 1.188 6.310 67 3HD1 LEU 10 3HD1 LEU 10 11.060 2.693 5.789 68 1HD2 LEU 10 1HD2 LEU 10 13.290 1.227 8.432 69 2HD2 LEU 10 2HD2 LEU 10 11.884 1.885 9.268 70 3HD2 LEU 10 3HD2 LEU 10 13.423 2.744 9.323 71 H TRP 11 H TRP 11 14.753 2.680 3.846 72 HA TRP 11 HA TRP 11 12.874 0.928 2.687 73 1HB TRP 11 2HB TRP 11 13.774 3.024 1.631 74 2HB TRP 11 1HB TRP 11 15.285 2.176 1.341 75 HD1 TRP 11 HD TRP 11 15.279 0.268 -0.555 76 HE1 TRP 11 1HE TRP 11 13.717 -0.138 -2.559 77 HE3 TRP 11 3HE TRP 11 11.353 3.224 0.858 78 HZ2 TRP 11 2HZ TRP 11 11.172 0.689 -3.432 79 HZ3 TRP 11 3HZ TRP 11 9.393 3.360 -0.626 80 HH2 TRP 11 HH TRP 11 9.305 2.121 -2.726 81 H GLN 12 H GLN 12 16.268 0.604 3.463 82 HA GLN 12 HA GLN 12 16.956 -1.652 1.989 83 1HB GLN 12 2HB GLN 12 18.618 -0.387 3.200 84 2HB GLN 12 1HB GLN 12 17.849 -0.764 4.735 85 1HG GLN 12 2HG GLN 12 18.407 -3.133 4.407 86 2HG GLN 12 1HG GLN 12 19.229 -2.712 2.906 87 1HE2 GLN 12 1HE2 GLN 12 20.196 -3.906 5.422 88 2HE2 GLN 12 2HE2 GLN 12 21.510 -2.896 5.935 89 H ARG 13 H ARG 13 15.058 -1.351 4.900 90 HA ARG 13 HA ARG 13 15.100 -4.028 5.759 91 1HB ARG 13 2HB ARG 13 13.003 -1.879 6.073 92 2HB ARG 13 1HB ARG 13 12.930 -3.437 6.884 93 1HG ARG 13 2HG ARG 13 15.094 -1.369 7.216 94 2HG ARG 13 1HG ARG 13 13.794 -1.712 8.360 95 1HD ARG 13 2HD ARG 13 14.682 -4.099 8.397 96 2HD ARG 13 1HD ARG 13 16.107 -3.466 7.574 97 HE ARG 13 HE ARG 13 16.513 -2.064 9.522 98 1HH1 ARG 13 1HH1 ARG 13 14.251 -4.715 9.866 99 2HH1 ARG 13 2HH1 ARG 13 14.388 -4.807 11.592 100 1HH2 ARG 13 1HH2 ARG 13 16.713 -2.161 11.807 101 2HH2 ARG 13 2HH2 ARG 13 15.781 -3.335 12.696 102 H LEU 14 H LEU 14 13.392 -2.429 3.209 103 HA LEU 14 HA LEU 14 11.339 -4.392 2.881 104 1HB LEU 14 2HB LEU 14 12.325 -2.384 0.859 105 2HB LEU 14 1HB LEU 14 10.768 -3.189 0.876 106 HG LEU 14 HG LEU 14 11.746 -1.106 2.827 107 1HD1 LEU 14 1HD1 LEU 14 9.500 -1.073 0.820 108 2HD1 LEU 14 2HD1 LEU 14 11.041 -0.231 0.663 109 3HD1 LEU 14 3HD1 LEU 14 9.912 0.226 1.939 110 1HD2 LEU 14 1HD2 LEU 14 10.435 -2.803 3.994 111 2HD2 LEU 14 2HD2 LEU 14 9.139 -2.622 2.812 112 3HD2 LEU 14 3HD2 LEU 14 9.551 -1.282 3.882 113 H LEU 15 H LEU 15 14.550 -3.903 1.637 114 HA LEU 15 HA LEU 15 14.412 -5.941 -0.361 115 1HB LEU 15 2HB LEU 15 16.707 -4.533 0.988 116 2HB LEU 15 1HB LEU 15 16.962 -5.830 -0.160 117 HG LEU 15 HG LEU 15 15.698 -4.459 -1.857 118 1HD1 LEU 15 1HD1 LEU 15 15.482 -2.071 -1.470 119 2HD1 LEU 15 2HD1 LEU 15 16.056 -2.273 0.185 120 3HD1 LEU 15 3HD1 LEU 15 14.520 -2.984 -0.311 121 1HD2 LEU 15 1HD2 LEU 15 18.132 -4.617 -1.843 122 2HD2 LEU 15 2HD2 LEU 15 18.220 -3.260 -0.720 123 3HD2 LEU 15 3HD2 LEU 15 17.597 -3.015 -2.351 124 H THR 16 H THR 16 14.953 -5.825 3.039 125 HA THR 16 HA THR 16 16.340 -8.261 3.377 126 HB THR 16 HB THR 16 14.470 -6.954 5.365 127 HG1 THR 16 1HG THR 16 16.620 -5.918 4.265 128 1HG2 THR 16 1HG2 THR 16 16.864 -8.764 5.726 129 2HG2 THR 16 2HG2 THR 16 15.178 -9.204 6.000 130 3HG2 THR 16 3HG2 THR 16 15.954 -8.002 7.030 131 H ARG 17 H ARG 17 12.855 -7.489 3.665 132 HA ARG 17 HA ARG 17 11.995 -9.840 2.436 133 1HB ARG 17 2HB ARG 17 11.089 -11.130 4.315 134 2HB ARG 17 1HB ARG 17 12.841 -11.030 4.384 135 1HG ARG 17 2HG ARG 17 12.713 -9.349 6.114 136 2HG ARG 17 1HG ARG 17 10.952 -9.337 6.004 137 1HD ARG 17 2HD ARG 17 11.664 -10.662 7.901 138 2HD ARG 17 1HD ARG 17 10.910 -11.696 6.689 139 HE ARG 17 HE ARG 17 13.647 -11.714 6.191 140 1HH1 ARG 17 1HH1 ARG 17 11.422 -12.748 8.678 141 2HH1 ARG 17 2HH1 ARG 17 12.471 -13.980 9.295 142 1HH2 ARG 17 1HH2 ARG 17 15.020 -13.366 6.947 143 2HH2 ARG 17 2HH2 ARG 17 14.523 -14.360 8.292 144 H GLY 18 H GLY 18 11.298 -7.240 4.683 145 1HA GLY 18 2HA GLY 18 8.460 -7.544 4.625 146 2HA GLY 18 1HA GLY 18 9.342 -6.136 5.198 147 H TRP 19 H TRP 19 6.976 -6.801 3.239 148 HA TRP 19 HA TRP 19 6.030 -5.832 1.410 149 1HB TRP 19 2HB TRP 19 8.139 -3.793 2.063 150 2HB TRP 19 1HB TRP 19 7.117 -3.613 0.642 151 HD1 TRP 19 HD TRP 19 4.774 -5.074 2.872 152 HE1 TRP 19 1HE TRP 19 3.417 -3.306 4.161 153 HE3 TRP 19 3HE TRP 19 7.778 -1.018 2.100 154 HZ2 TRP 19 2HZ TRP 19 3.596 -0.550 4.768 155 HZ3 TRP 19 3HZ TRP 19 7.118 1.147 3.061 156 HH2 TRP 19 HH TRP 19 5.071 1.373 4.360 157 H GLN 20 H GLN 20 6.809 -4.704 -0.823 158 HA GLN 20 HA GLN 20 9.185 -5.949 -1.903 159 1HB GLN 20 2HB GLN 20 6.390 -6.667 -2.600 160 2HB GLN 20 1HB GLN 20 7.507 -6.472 -3.933 161 1HG GLN 20 2HG GLN 20 7.973 -8.291 -1.585 162 2HG GLN 20 1HG GLN 20 7.285 -8.805 -3.124 163 1HE2 GLN 20 1HE2 GLN 20 9.765 -9.608 -1.749 164 2HE2 GLN 20 2HE2 GLN 20 11.028 -9.335 -2.903 165 HA PRO 21 HA PRO 21 8.966 -1.927 -3.867 166 1HB PRO 21 2HB PRO 21 11.526 -2.375 -5.055 167 2HB PRO 21 1HB PRO 21 11.148 -1.411 -3.629 168 1HG PRO 21 2HG PRO 21 12.610 -3.770 -3.624 169 2HG PRO 21 1HG PRO 21 11.821 -3.049 -2.209 170 1HD PRO 21 2HD PRO 21 10.916 -5.303 -3.948 171 2HD PRO 21 1HD PRO 21 10.719 -5.075 -2.196 172 H VAL 22 H VAL 22 7.562 -1.927 -5.524 173 HA VAL 22 HA VAL 22 8.034 -3.683 -7.802 174 HB VAL 22 HB VAL 22 5.788 -2.800 -8.592 175 1HG1 VAL 22 1HG1 VAL 22 4.544 -4.242 -7.033 176 2HG1 VAL 22 2HG1 VAL 22 5.963 -4.301 -5.987 177 3HG1 VAL 22 3HG1 VAL 22 6.035 -4.986 -7.609 178 1HG2 VAL 22 1HG2 VAL 22 5.739 -0.760 -7.238 179 2HG2 VAL 22 2HG2 VAL 22 5.682 -1.733 -5.769 180 3HG2 VAL 22 3HG2 VAL 22 4.340 -1.781 -6.912 181 H GLU 23 H GLU 23 6.881 -2.330 -9.851 182 HA GLU 23 HA GLU 23 8.666 -0.049 -10.269 183 1HB GLU 23 2HB GLU 23 9.537 -2.357 -11.072 184 2HB GLU 23 1HB GLU 23 8.337 -2.212 -12.331 185 1HG GLU 23 2HG GLU 23 10.012 0.144 -12.077 186 2HG GLU 23 1HG GLU 23 10.912 -1.328 -12.436 187 H ALA 24 H ALA 24 8.146 0.698 -12.702 188 HA ALA 24 HA ALA 24 5.296 1.364 -12.586 189 1HB ALA 24 1HB ALA 24 6.892 3.217 -12.630 190 2HB ALA 24 2HB ALA 24 5.841 3.234 -14.045 191 3HB ALA 24 3HB ALA 24 7.502 2.656 -14.185 192 H SER 25 H SER 25 7.674 -0.135 -14.674 193 HA SER 25 HA SER 25 5.760 -0.401 -16.850 194 1HB SER 25 2HB SER 25 8.530 -1.594 -16.711 195 2HB SER 25 1HB SER 25 7.592 -1.180 -18.148 196 HG SER 25 HG SER 25 8.755 0.599 -16.258 197 H THR 26 H THR 26 7.374 -2.416 -14.434 198 HA THR 26 HA THR 26 6.458 -4.891 -15.513 199 HB THR 26 HB THR 26 8.433 -4.383 -13.870 200 HG1 THR 26 1HG THR 26 8.479 -6.542 -13.401 201 1HG2 THR 26 1HG2 THR 26 6.221 -5.017 -11.919 202 2HG2 THR 26 2HG2 THR 26 7.042 -3.466 -12.062 203 3HG2 THR 26 3HG2 THR 26 7.938 -4.892 -11.541 204 H VAL 27 H VAL 27 4.774 -2.469 -13.999 205 HA VAL 27 HA VAL 27 3.207 -3.784 -12.097 206 HB VAL 27 HB VAL 27 3.351 -1.315 -12.329 207 1HG1 VAL 27 1HG1 VAL 27 1.901 -0.161 -13.933 208 2HG1 VAL 27 2HG1 VAL 27 1.462 -1.711 -14.650 209 3HG1 VAL 27 3HG1 VAL 27 3.122 -1.133 -14.752 210 1HG2 VAL 27 1HG2 VAL 27 0.563 -2.446 -12.368 211 2HG2 VAL 27 2HG2 VAL 27 1.021 -0.857 -11.759 212 3HG2 VAL 27 3HG2 VAL 27 1.619 -2.313 -10.961 213 H ASP 28 H ASP 28 2.846 -3.552 -15.592 214 HA ASP 28 HA ASP 28 0.205 -4.456 -15.829 215 1HB ASP 28 2HB ASP 28 2.554 -4.881 -17.690 216 2HB ASP 28 1HB ASP 28 0.891 -5.271 -18.103 217 H ASP 29 H ASP 29 3.236 -6.280 -15.953 218 HA ASP 29 HA ASP 29 1.928 -8.781 -16.267 219 1HB ASP 29 2HB ASP 29 4.231 -8.352 -17.070 220 2HB ASP 29 1HB ASP 29 4.770 -8.238 -15.397 221 H TRP 30 H TRP 30 3.279 -7.027 -13.540 222 HA TRP 30 HA TRP 30 3.154 -9.092 -11.644 223 1HB TRP 30 2HB TRP 30 4.307 -6.828 -11.408 224 2HB TRP 30 1HB TRP 30 2.722 -6.174 -11.006 225 HD1 TRP 30 HD TRP 30 5.281 -8.741 -9.678 226 HE1 TRP 30 1HE TRP 30 4.956 -8.960 -7.134 227 HE3 TRP 30 3HE TRP 30 1.155 -5.772 -9.123 228 HZ2 TRP 30 2HZ TRP 30 3.190 -8.002 -5.157 229 HZ3 TRP 30 3HZ TRP 30 0.212 -5.476 -6.870 230 HH2 TRP 30 HH TRP 30 1.210 -6.569 -4.929 231 H ILE 31 H ILE 31 0.790 -6.503 -12.354 232 HA ILE 31 HA ILE 31 -1.130 -7.368 -10.475 233 HB ILE 31 HB ILE 31 -1.511 -5.771 -13.015 234 1HG1 ILE 31 2HG1 ILE 31 -0.045 -4.656 -11.441 235 2HG1 ILE 31 1HG1 ILE 31 -1.609 -3.847 -11.447 236 1HG2 ILE 31 1HG2 ILE 31 -3.413 -6.138 -10.699 237 2HG2 ILE 31 2HG2 ILE 31 -3.615 -6.794 -12.323 238 3HG2 ILE 31 3HG2 ILE 31 -3.647 -5.049 -12.069 239 1HD1 ILE 31 1HD1 ILE 31 -0.717 -4.064 -9.197 240 2HD1 ILE 31 2HD1 ILE 31 -0.662 -5.817 -9.378 241 3HD1 ILE 31 3HD1 ILE 31 -2.213 -4.978 -9.384 242 H LYS 32 H LYS 32 -0.700 -8.071 -13.907 243 HA LYS 32 HA LYS 32 -3.036 -9.620 -14.219 244 1HB LYS 32 2HB LYS 32 -1.890 -8.661 -16.110 245 2HB LYS 32 1HB LYS 32 -0.433 -9.558 -15.742 246 1HG LYS 32 2HG LYS 32 -2.928 -11.070 -16.339 247 2HG LYS 32 1HG LYS 32 -2.055 -10.301 -17.666 248 1HD LYS 32 2HD LYS 32 -0.961 -12.338 -15.719 249 2HD LYS 32 1HD LYS 32 -1.322 -12.598 -17.425 250 1HE LYS 32 2HE LYS 32 0.397 -10.944 -18.026 251 2HE LYS 32 1HE LYS 32 0.771 -10.725 -16.319 252 1HZ LYS 32 1HZ LYS 32 1.239 -13.198 -16.304 253 2HZ LYS 32 2HZ LYS 32 2.358 -12.212 -17.111 254 3HZ LYS 32 3HZ LYS 32 1.228 -13.114 -18.000 255 H ARG 33 H ARG 33 0.148 -10.382 -13.005 256 HA ARG 33 HA ARG 33 -0.100 -13.222 -13.351 257 1HB ARG 33 2HB ARG 33 2.058 -11.875 -13.199 258 2HB ARG 33 1HB ARG 33 1.775 -11.800 -11.472 259 1HG ARG 33 2HG ARG 33 1.777 -14.263 -11.385 260 2HG ARG 33 1HG ARG 33 2.165 -14.300 -13.105 261 1HD ARG 33 2HD ARG 33 3.844 -13.014 -10.961 262 2HD ARG 33 1HD ARG 33 4.142 -14.596 -11.673 263 HE ARG 33 HE ARG 33 4.130 -12.174 -13.343 264 1HH1 ARG 33 1HH1 ARG 33 5.724 -15.064 -12.142 265 2HH1 ARG 33 2HH1 ARG 33 7.109 -14.871 -13.176 266 1HH2 ARG 33 1HH2 ARG 33 5.957 -11.920 -14.683 267 2HH2 ARG 33 2HH2 ARG 33 7.250 -13.096 -14.606 268 H VAL 34 H VAL 34 -0.284 -11.006 -10.605 269 HA VAL 34 HA VAL 34 -1.040 -13.173 -8.836 270 HB VAL 34 HB VAL 34 -1.161 -11.429 -7.061 271 1HG1 VAL 34 1HG1 VAL 34 1.388 -11.469 -8.669 272 2HG1 VAL 34 2HG1 VAL 34 0.891 -12.671 -7.481 273 3HG1 VAL 34 3HG1 VAL 34 1.244 -11.022 -6.968 274 1HG2 VAL 34 1HG2 VAL 34 -1.774 -9.496 -8.403 275 2HG2 VAL 34 2HG2 VAL 34 -0.232 -9.574 -9.253 276 3HG2 VAL 34 3HG2 VAL 34 -0.272 -9.188 -7.532 277 H GLY 35 H GLY 35 -2.588 -10.174 -9.983 278 1HA GLY 35 2HA GLY 35 -4.866 -9.946 -10.535 279 2HA GLY 35 1HA GLY 35 -5.193 -11.471 -9.719 280 H ASP 36 H ASP 36 -3.604 -10.593 -7.385 281 HA ASP 36 HA ASP 36 -5.401 -8.573 -6.250 282 1HB ASP 36 2HB ASP 36 -5.227 -9.871 -4.092 283 2HB ASP 36 1HB ASP 36 -6.141 -10.680 -5.358 284 H GLY 37 H GLY 37 -4.416 -7.032 -4.985 285 1HA GLY 37 2HA GLY 37 -2.210 -7.124 -3.441 286 2HA GLY 37 1HA GLY 37 -1.521 -6.953 -5.048 287 H VAL 38 H VAL 38 -0.947 -5.043 -3.282 288 HA VAL 38 HA VAL 38 -2.480 -2.755 -4.303 289 HB VAL 38 HB VAL 38 -2.217 -1.610 -2.110 290 1HG1 VAL 38 1HG1 VAL 38 -4.334 -2.653 -2.672 291 2HG1 VAL 38 2HG1 VAL 38 -4.007 -2.826 -0.947 292 3HG1 VAL 38 3HG1 VAL 38 -3.766 -4.195 -2.033 293 1HG2 VAL 38 1HG2 VAL 38 -1.714 -2.931 -0.114 294 2HG2 VAL 38 2HG2 VAL 38 -0.349 -2.913 -1.229 295 3HG2 VAL 38 3HG2 VAL 38 -1.383 -4.336 -1.125 296 H ILE 39 H ILE 39 -1.288 -1.094 -5.010 297 HA ILE 39 HA ILE 39 1.615 -1.180 -4.541 298 HB ILE 39 HB ILE 39 0.032 0.029 -6.815 299 1HG1 ILE 39 2HG1 ILE 39 1.750 -1.238 -8.184 300 2HG1 ILE 39 1HG1 ILE 39 2.266 -2.013 -6.691 301 1HG2 ILE 39 1HG2 ILE 39 1.642 1.706 -6.100 302 2HG2 ILE 39 2HG2 ILE 39 2.095 1.028 -7.665 303 3HG2 ILE 39 3HG2 ILE 39 2.942 0.519 -6.205 304 1HD1 ILE 39 1HD1 ILE 39 -0.035 -2.887 -6.419 305 2HD1 ILE 39 2HD1 ILE 39 0.767 -3.454 -7.884 306 3HD1 ILE 39 3HD1 ILE 39 -0.449 -2.179 -7.982 307 H LEU 40 H LEU 40 2.426 0.271 -3.190 308 HA LEU 40 HA LEU 40 0.874 2.547 -2.295 309 1HB LEU 40 2HB LEU 40 2.664 1.002 -1.042 310 2HB LEU 40 1HB LEU 40 3.760 2.234 -1.628 311 HG LEU 40 HG LEU 40 1.441 2.615 0.261 312 1HD1 LEU 40 1HD1 LEU 40 3.445 1.681 1.258 313 2HD1 LEU 40 2HD1 LEU 40 3.189 3.338 1.806 314 3HD1 LEU 40 3HD1 LEU 40 4.410 2.993 0.582 315 1HD2 LEU 40 1HD2 LEU 40 3.254 4.712 -0.926 316 2HD2 LEU 40 2HD2 LEU 40 2.093 4.971 0.375 317 3HD2 LEU 40 3HD2 LEU 40 1.527 4.530 -1.236 318 H LEU 41 H LEU 41 0.878 4.448 -3.319 319 HA LEU 41 HA LEU 41 2.939 5.020 -5.287 320 1HB LEU 41 2HB LEU 41 0.292 6.235 -4.599 321 2HB LEU 41 1HB LEU 41 1.463 7.180 -5.497 322 HG LEU 41 HG LEU 41 1.495 5.425 -7.249 323 1HD1 LEU 41 1HD1 LEU 41 -0.233 3.702 -7.257 324 2HD1 LEU 41 2HD1 LEU 41 -0.763 4.218 -5.656 325 3HD1 LEU 41 3HD1 LEU 41 0.842 3.518 -5.870 326 1HD2 LEU 41 1HD2 LEU 41 0.051 7.378 -7.475 327 2HD2 LEU 41 2HD2 LEU 41 -1.234 6.538 -6.608 328 3HD2 LEU 41 3HD2 LEU 41 -0.704 5.949 -8.184 329 H SER 42 H SER 42 4.725 5.993 -4.717 330 HA SER 42 HA SER 42 6.214 7.403 -3.758 331 1HB SER 42 2HB SER 42 3.727 8.944 -2.992 332 2HB SER 42 1HB SER 42 5.372 9.548 -2.819 333 HG SER 42 HG SER 42 4.996 10.262 -4.761 334 H SER 43 H SER 43 6.389 8.764 -1.478 335 HA SER 43 HA SER 43 5.340 7.173 0.723 336 1HB SER 43 2HB SER 43 8.285 7.816 0.386 337 2HB SER 43 1HB SER 43 7.556 7.040 1.792 338 HG SER 43 HG SER 43 6.781 5.683 -0.342 339 H ASP 44 H ASP 44 4.882 9.779 -0.500 340 HA ASP 44 HA ASP 44 6.085 11.867 0.971 341 1HB ASP 44 2HB ASP 44 3.470 11.797 -0.562 342 2HB ASP 44 1HB ASP 44 4.202 13.260 0.086 343 HA PRO 45 HA PRO 45 3.785 11.636 4.750 344 1HB PRO 45 2HB PRO 45 4.240 14.131 5.683 345 2HB PRO 45 1HB PRO 45 5.501 12.894 5.647 346 1HG PRO 45 2HG PRO 45 5.003 15.143 3.732 347 2HG PRO 45 1HG PRO 45 6.539 14.575 4.417 348 1HD PRO 45 2HD PRO 45 5.698 13.904 1.923 349 2HD PRO 45 1HD PRO 45 6.707 12.838 2.920 350 H ARG 46 H ARG 46 2.092 12.975 5.952 351 HA ARG 46 HA ARG 46 -0.071 13.479 4.207 352 1HB ARG 46 2HB ARG 46 0.271 14.027 7.156 353 2HB ARG 46 1HB ARG 46 -1.236 14.286 6.287 354 1HG ARG 46 2HG ARG 46 0.200 11.658 6.601 355 2HG ARG 46 1HG ARG 46 -1.278 12.154 7.427 356 1HD ARG 46 2HD ARG 46 -2.476 12.246 5.344 357 2HD ARG 46 1HD ARG 46 -0.999 11.936 4.437 358 HE ARG 46 HE ARG 46 -1.145 9.749 5.966 359 1HH1 ARG 46 1HH1 ARG 46 -3.601 11.375 4.074 360 2HH1 ARG 46 2HH1 ARG 46 -4.436 9.905 3.659 361 1HH2 ARG 46 1HH2 ARG 46 -2.251 7.814 5.451 362 2HH2 ARG 46 2HH2 ARG 46 -3.678 7.879 4.458 363 H ARG 47 H ARG 47 2.284 15.554 5.749 364 HA ARG 47 HA ARG 47 2.113 17.461 3.743 365 1HB ARG 47 2HB ARG 47 1.035 19.343 4.664 366 2HB ARG 47 1HB ARG 47 -0.067 18.007 4.941 367 1HG ARG 47 2HG ARG 47 1.824 19.048 7.034 368 2HG ARG 47 1HG ARG 47 0.180 19.647 6.821 369 1HD ARG 47 2HD ARG 47 -0.732 17.493 7.321 370 2HD ARG 47 1HD ARG 47 0.871 16.759 7.320 371 HE ARG 47 HE ARG 47 1.354 18.000 9.344 372 1HH1 ARG 47 1HH1 ARG 47 -2.008 17.983 8.357 373 2HH1 ARG 47 2HH1 ARG 47 -2.617 18.217 9.974 374 1HH2 ARG 47 1HH2 ARG 47 0.573 18.278 11.463 375 2HH2 ARG 47 2HH2 ARG 47 -1.144 18.382 11.747 376 H THR 48 H THR 48 2.883 16.904 7.149 377 HA THR 48 HA THR 48 5.346 18.475 6.779 378 HB THR 48 HB THR 48 4.145 17.961 9.482 379 HG1 THR 48 1HG THR 48 3.447 20.398 8.597 380 1HG2 THR 48 1HG2 THR 48 6.394 18.912 9.359 381 2HG2 THR 48 2HG2 THR 48 5.252 20.090 10.006 382 3HG2 THR 48 3HG2 THR 48 5.795 20.215 8.334 383 HA PRO 49 HA PRO 49 7.148 14.528 8.009 384 1HB PRO 49 2HB PRO 49 9.400 14.770 6.547 385 2HB PRO 49 1HB PRO 49 7.866 14.259 5.841 386 1HG PRO 49 2HG PRO 49 9.298 16.816 5.552 387 2HG PRO 49 1HG PRO 49 8.084 16.080 4.494 388 1HD PRO 49 2HD PRO 49 7.716 18.148 6.456 389 2HD PRO 49 1HD PRO 49 6.501 17.420 5.389 390 H GLU 50 H GLU 50 7.773 14.792 10.123 391 HA GLU 50 HA GLU 50 9.793 16.754 10.823 392 1HB GLU 50 2HB GLU 50 7.734 15.893 12.238 393 2HB GLU 50 1HB GLU 50 8.850 14.620 12.702 394 1HG GLU 50 2HG GLU 50 9.262 17.574 13.109 395 2HG GLU 50 1HG GLU 50 8.809 16.404 14.343 396 H VAL 51 H VAL 51 9.563 13.284 11.619 397 HA VAL 51 HA VAL 51 12.402 13.001 11.659 398 HB VAL 51 HB VAL 51 10.826 11.638 13.047 399 1HG1 VAL 51 1HG1 VAL 51 9.140 11.120 11.397 400 2HG1 VAL 51 2HG1 VAL 51 9.818 9.630 12.052 401 3HG1 VAL 51 3HG1 VAL 51 10.308 10.195 10.455 402 1HG2 VAL 51 1HG2 VAL 51 12.121 9.584 12.909 403 2HG2 VAL 51 2HG2 VAL 51 13.158 11.002 12.769 404 3HG2 VAL 51 3HG2 VAL 51 12.740 10.070 11.333 405 H SER 52 H SER 52 9.901 12.481 9.300 406 HA SER 52 HA SER 52 9.943 12.257 7.052 407 1HB SER 52 2HB SER 52 12.919 12.712 7.328 408 2HB SER 52 1HB SER 52 11.997 12.793 5.826 409 HG SER 52 HG SER 52 11.906 14.516 8.061 410 H ASP 53 H ASP 53 10.922 10.940 5.230 411 HA ASP 53 HA ASP 53 10.972 8.840 4.355 412 1HB ASP 53 2HB ASP 53 13.410 9.565 4.881 413 2HB ASP 53 1HB ASP 53 13.334 8.327 6.130 414 H ASN 54 H ASN 54 8.976 8.386 5.615 415 HA ASN 54 HA ASN 54 9.338 5.893 7.064 416 1HB ASN 54 2HB ASN 54 8.531 8.409 8.352 417 2HB ASN 54 1HB ASN 54 7.435 7.067 8.660 418 1HD2 ASN 54 1HD2 ASN 54 10.716 8.237 9.029 419 2HD2 ASN 54 2HD2 ASN 54 11.171 7.112 10.263 420 HA PRO 55 HA PRO 55 5.663 5.606 4.437 421 1HB PRO 55 2HB PRO 55 6.382 2.928 3.807 422 2HB PRO 55 1HB PRO 55 6.572 4.356 2.789 423 1HG PRO 55 2HG PRO 55 8.650 2.862 3.876 424 2HG PRO 55 1HG PRO 55 8.789 4.509 3.245 425 1HD PRO 55 2HD PRO 55 8.541 3.576 6.072 426 2HD PRO 55 1HD PRO 55 9.478 4.931 5.404 427 H VAL 56 H VAL 56 6.259 4.638 7.401 428 HA VAL 56 HA VAL 56 4.673 2.271 7.640 429 HB VAL 56 HB VAL 56 4.770 2.737 10.111 430 1HG1 VAL 56 1HG1 VAL 56 6.337 1.256 8.952 431 2HG1 VAL 56 2HG1 VAL 56 7.114 2.100 10.291 432 3HG1 VAL 56 3HG1 VAL 56 7.399 2.628 8.632 433 1HG2 VAL 56 1HG2 VAL 56 6.610 4.963 9.229 434 2HG2 VAL 56 2HG2 VAL 56 6.391 4.406 10.888 435 3HG2 VAL 56 3HG2 VAL 56 5.049 5.158 10.026 436 H MET 57 H MET 57 2.635 2.286 7.258 437 HA MET 57 HA MET 57 0.642 3.535 8.677 438 1HB MET 57 2HB MET 57 1.494 5.650 7.673 439 2HB MET 57 1HB MET 57 1.174 4.992 6.076 440 1HG MET 57 2HG MET 57 -1.181 4.956 6.496 441 2HG MET 57 1HG MET 57 -0.934 5.423 8.178 442 1HE MET 57 1HE MET 57 0.446 9.083 7.784 443 2HE MET 57 2HE MET 57 1.398 7.598 7.863 444 3HE MET 57 3HE MET 57 -0.000 7.809 8.920 445 H ILE 58 H ILE 58 1.584 2.695 5.376 446 HA ILE 58 HA ILE 58 -0.981 1.679 4.651 447 HB ILE 58 HB ILE 58 1.730 1.484 3.341 448 1HG1 ILE 58 2HG1 ILE 58 0.471 2.856 1.585 449 2HG1 ILE 58 1HG1 ILE 58 -0.804 3.029 2.785 450 1HG2 ILE 58 1HG2 ILE 58 0.492 -0.552 2.793 451 2HG2 ILE 58 2HG2 ILE 58 0.658 0.496 1.386 452 3HG2 ILE 58 3HG2 ILE 58 -0.876 0.421 2.255 453 1HD1 ILE 58 1HD1 ILE 58 0.767 4.149 4.282 454 2HD1 ILE 58 2HD1 ILE 58 0.636 4.979 2.733 455 3HD1 ILE 58 3HD1 ILE 58 2.041 3.971 3.076 456 H ALA 59 H ALA 59 1.851 0.350 6.161 457 HA ALA 59 HA ALA 59 1.231 -2.391 5.852 458 1HB ALA 59 1HB ALA 59 2.737 -1.012 8.078 459 2HB ALA 59 2HB ALA 59 3.436 -1.662 6.594 460 3HB ALA 59 3HB ALA 59 2.711 -2.750 7.778 461 H GLU 60 H GLU 60 0.493 -0.034 8.407 462 HA GLU 60 HA GLU 60 -1.168 -1.679 9.946 463 1HB GLU 60 2HB GLU 60 -1.251 1.327 9.594 464 2HB GLU 60 1HB GLU 60 -2.068 0.429 10.857 465 1HG GLU 60 2HG GLU 60 -0.206 1.182 11.953 466 2HG GLU 60 1HG GLU 60 0.290 -0.430 11.451 467 H LEU 61 H LEU 61 -1.800 0.401 7.191 468 HA LEU 61 HA LEU 61 -4.564 0.319 7.014 469 1HB LEU 61 2HB LEU 61 -2.536 1.268 5.469 470 2HB LEU 61 1HB LEU 61 -3.066 -0.084 4.495 471 HG LEU 61 HG LEU 61 -4.171 1.818 3.650 472 1HD1 LEU 61 1HD1 LEU 61 -5.620 -0.110 3.814 473 2HD1 LEU 61 2HD1 LEU 61 -6.535 1.376 4.052 474 3HD1 LEU 61 3HD1 LEU 61 -6.112 0.370 5.436 475 1HD2 LEU 61 1HD2 LEU 61 -5.537 3.302 5.091 476 2HD2 LEU 61 2HD2 LEU 61 -3.805 3.366 5.417 477 3HD2 LEU 61 3HD2 LEU 61 -4.871 2.472 6.497 478 H LEU 62 H LEU 62 -2.202 -1.939 5.633 479 HA LEU 62 HA LEU 62 -4.138 -3.625 4.432 480 1HB LEU 62 2HB LEU 62 -1.712 -3.332 3.770 481 2HB LEU 62 1HB LEU 62 -1.304 -4.358 5.134 482 HG LEU 62 HG LEU 62 -2.871 -6.092 4.062 483 1HD1 LEU 62 1HD1 LEU 62 -3.120 -5.896 1.641 484 2HD1 LEU 62 2HD1 LEU 62 -2.400 -4.288 1.696 485 3HD1 LEU 62 3HD1 LEU 62 -3.947 -4.586 2.487 486 1HD2 LEU 62 1HD2 LEU 62 -1.090 -6.912 2.607 487 2HD2 LEU 62 2HD2 LEU 62 -0.449 -6.333 4.145 488 3HD2 LEU 62 3HD2 LEU 62 -0.290 -5.342 2.694 489 H ARG 63 H ARG 63 -2.454 -3.717 7.536 490 HA ARG 63 HA ARG 63 -3.088 -6.460 8.041 491 1HB ARG 63 2HB ARG 63 -2.020 -6.182 10.150 492 2HB ARG 63 1HB ARG 63 -1.092 -5.275 8.968 493 1HG ARG 63 2HG ARG 63 -2.291 -3.213 9.736 494 2HG ARG 63 1HG ARG 63 -2.971 -4.182 11.044 495 1HD ARG 63 2HD ARG 63 -0.056 -3.632 10.516 496 2HD ARG 63 1HD ARG 63 -1.027 -3.022 11.855 497 HE ARG 63 HE ARG 63 -1.259 -5.518 12.429 498 1HH1 ARG 63 1HH1 ARG 63 1.580 -4.016 11.024 499 2HH1 ARG 63 2HH1 ARG 63 2.673 -5.207 11.661 500 1HH2 ARG 63 1HH2 ARG 63 0.187 -7.063 13.290 501 2HH2 ARG 63 2HH2 ARG 63 1.884 -6.954 12.923 502 H GLU 64 H GLU 64 -5.006 -3.785 8.055 503 HA GLU 64 HA GLU 64 -6.683 -4.583 10.273 504 1HB GLU 64 2HB GLU 64 -6.992 -2.460 8.147 505 2HB GLU 64 1HB GLU 64 -8.175 -2.753 9.409 506 1HG GLU 64 2HG GLU 64 -5.312 -2.103 10.003 507 2HG GLU 64 1HG GLU 64 -6.542 -0.863 9.786 508 H PHE 65 H PHE 65 -6.174 -5.718 7.207 509 HA PHE 65 HA PHE 65 -8.957 -6.640 6.922 510 1HB PHE 65 2HB PHE 65 -7.062 -5.707 4.991 511 2HB PHE 65 1HB PHE 65 -7.431 -7.388 4.647 512 HD1 PHE 65 1HD PHE 65 -8.610 -3.996 4.539 513 HD2 PHE 65 2HD PHE 65 -9.791 -8.071 4.290 514 HE1 PHE 65 1HE PHE 65 -10.712 -3.316 3.455 515 HE2 PHE 65 2HE PHE 65 -11.895 -7.404 3.205 516 HZ PHE 65 HZ PHE 65 -12.358 -5.020 2.785 517 HA PRO 66 HA PRO 66 -6.989 -10.571 8.019 518 1HB PRO 66 2HB PRO 66 -8.779 -11.354 9.838 519 2HB PRO 66 1HB PRO 66 -7.576 -10.115 10.220 520 1HG PRO 66 2HG PRO 66 -10.477 -9.828 9.669 521 2HG PRO 66 1HG PRO 66 -9.427 -8.853 10.707 522 1HD PRO 66 2HD PRO 66 -10.257 -8.258 8.054 523 2HD PRO 66 1HD PRO 66 -9.072 -7.372 9.035 524 H GLN 67 H GLN 67 -9.215 -9.753 5.972 525 HA GLN 67 HA GLN 67 -11.020 -12.004 6.043 526 1HB GLN 67 2HB GLN 67 -11.415 -9.502 5.232 527 2HB GLN 67 1HB GLN 67 -10.870 -10.161 3.698 528 1HG GLN 67 2HG GLN 67 -13.155 -11.284 5.302 529 2HG GLN 67 1HG GLN 67 -13.336 -10.120 3.994 530 1HE2 GLN 67 1HE2 GLN 67 -13.009 -10.778 1.885 531 2HE2 GLN 67 2HE2 GLN 67 -12.975 -12.442 1.434 532 H PHE 68 H PHE 68 -8.811 -10.737 3.509 533 HA PHE 68 HA PHE 68 -8.340 -13.514 2.731 534 1HB PHE 68 2HB PHE 68 -8.574 -12.970 0.356 535 2HB PHE 68 1HB PHE 68 -10.070 -12.715 1.233 536 HD1 PHE 68 1HD PHE 68 -9.569 -9.966 2.353 537 HD2 PHE 68 2HD PHE 68 -8.779 -11.630 -1.483 538 HE1 PHE 68 1HE PHE 68 -9.812 -7.744 1.340 539 HE2 PHE 68 2HE PHE 68 -9.005 -9.404 -2.498 540 HZ PHE 68 HZ PHE 68 -9.537 -7.460 -1.088 541 H ASP 69 H ASP 69 -6.463 -13.896 1.498 542 HA ASP 69 HA ASP 69 -4.296 -12.157 2.376 543 1HB ASP 69 2HB ASP 69 -3.987 -14.412 3.039 544 2HB ASP 69 1HB ASP 69 -4.422 -15.020 1.448 545 H TRP 70 H TRP 70 -3.131 -10.972 1.065 546 HA TRP 70 HA TRP 70 -2.891 -11.587 -1.747 547 1HB TRP 70 2HB TRP 70 -3.497 -9.201 -2.359 548 2HB TRP 70 1HB TRP 70 -4.832 -10.255 -1.933 549 HD1 TRP 70 HD TRP 70 -3.385 -9.246 1.267 550 HE1 TRP 70 1HE TRP 70 -4.667 -7.264 2.272 551 HE3 TRP 70 3HE TRP 70 -5.980 -7.767 -2.879 552 HZ2 TRP 70 2HZ TRP 70 -6.522 -5.320 1.428 553 HZ3 TRP 70 3HZ TRP 70 -7.484 -5.831 -2.693 554 HH2 TRP 70 HH TRP 70 -7.749 -4.632 -0.584 555 H GLN 71 H GLN 71 -1.548 -9.585 -2.756 556 HA GLN 71 HA GLN 71 0.856 -9.556 -1.101 557 1HB GLN 71 2HB GLN 71 0.414 -9.015 -4.034 558 2HB GLN 71 1HB GLN 71 1.952 -8.724 -3.237 559 1HG GLN 71 2HG GLN 71 2.167 -10.826 -4.247 560 2HG GLN 71 1HG GLN 71 1.891 -11.159 -2.540 561 1HE2 GLN 71 1HE2 GLN 71 -0.600 -10.191 -4.819 562 2HE2 GLN 71 2HE2 GLN 71 -1.480 -11.680 -4.757 563 H VAL 72 H VAL 72 2.024 -7.723 -0.615 564 HA VAL 72 HA VAL 72 0.729 -5.144 -1.188 565 HB VAL 72 HB VAL 72 0.446 -5.621 1.172 566 1HG1 VAL 72 1HG1 VAL 72 2.236 -7.227 1.485 567 2HG1 VAL 72 2HG1 VAL 72 2.353 -5.929 2.674 568 3HG1 VAL 72 3HG1 VAL 72 3.439 -5.952 1.286 569 1HG2 VAL 72 1HG2 VAL 72 0.863 -3.304 0.584 570 2HG2 VAL 72 2HG2 VAL 72 2.602 -3.558 0.721 571 3HG2 VAL 72 3HG2 VAL 72 1.578 -3.672 2.152 572 H ALA 73 H ALA 73 2.024 -3.596 -2.068 573 HA ALA 73 HA ALA 73 4.922 -3.996 -2.004 574 1HB ALA 73 1HB ALA 73 4.151 -5.160 -4.002 575 2HB ALA 73 2HB ALA 73 5.109 -3.740 -4.419 576 3HB ALA 73 3HB ALA 73 3.351 -3.690 -4.560 577 H VAL 74 H VAL 74 6.129 -2.128 -2.740 578 HA VAL 74 HA VAL 74 4.621 0.396 -2.659 579 HB VAL 74 HB VAL 74 6.230 1.395 -1.118 580 1HG1 VAL 74 1HG1 VAL 74 5.639 0.162 0.912 581 2HG1 VAL 74 2HG1 VAL 74 5.109 -1.197 -0.076 582 3HG1 VAL 74 3HG1 VAL 74 4.262 0.345 -0.175 583 1HG2 VAL 74 1HG2 VAL 74 7.924 -0.003 0.015 584 2HG2 VAL 74 2HG2 VAL 74 8.216 0.128 -1.720 585 3HG2 VAL 74 3HG2 VAL 74 7.507 -1.343 -1.052 586 H ALA 75 H ALA 75 5.972 2.260 -3.446 587 HA ALA 75 HA ALA 75 8.047 1.366 -5.325 588 1HB ALA 75 1HB ALA 75 5.928 1.520 -6.548 589 2HB ALA 75 2HB ALA 75 7.098 2.713 -7.105 590 3HB ALA 75 3HB ALA 75 5.773 3.206 -6.052 591 H ASP 76 H ASP 76 9.429 3.020 -6.097 592 HA ASP 76 HA ASP 76 10.302 4.841 -4.117 593 1HB ASP 76 2HB ASP 76 11.886 3.818 -5.627 594 2HB ASP 76 1HB ASP 76 11.060 4.492 -7.026 595 H LEU 77 H LEU 77 10.430 7.134 -4.222 596 HA LEU 77 HA LEU 77 8.017 8.410 -4.793 597 1HB LEU 77 2HB LEU 77 9.762 9.134 -3.152 598 2HB LEU 77 1HB LEU 77 10.730 9.704 -4.492 599 HG LEU 77 HG LEU 77 7.965 10.796 -4.123 600 1HD1 LEU 77 1HD1 LEU 77 8.870 12.549 -2.681 601 2HD1 LEU 77 2HD1 LEU 77 10.428 11.724 -2.650 602 3HD1 LEU 77 3HD1 LEU 77 9.012 10.964 -1.924 603 1HD2 LEU 77 1HD2 LEU 77 10.545 11.977 -5.153 604 2HD2 LEU 77 2HD2 LEU 77 8.976 12.781 -5.128 605 3HD2 LEU 77 3HD2 LEU 77 9.224 11.362 -6.149 606 H GLU 78 H GLU 78 11.069 8.462 -6.637 607 HA GLU 78 HA GLU 78 10.139 10.228 -8.652 608 1HB GLU 78 2HB GLU 78 12.498 8.531 -8.201 609 2HB GLU 78 1HB GLU 78 12.074 8.735 -9.894 610 1HG GLU 78 2HG GLU 78 13.715 10.379 -9.132 611 2HG GLU 78 1HG GLU 78 12.220 11.133 -9.682 612 H GLN 79 H GLN 79 10.105 6.755 -8.244 613 HA GLN 79 HA GLN 79 9.304 6.106 -10.882 614 1HB GLN 79 2HB GLN 79 10.157 4.670 -8.744 615 2HB GLN 79 1HB GLN 79 8.433 4.322 -8.701 616 1HG GLN 79 2HG GLN 79 8.531 3.568 -11.023 617 2HG GLN 79 1HG GLN 79 10.262 3.896 -11.049 618 1HE2 GLN 79 1HE2 GLN 79 8.486 2.546 -8.350 619 2HE2 GLN 79 2HE2 GLN 79 9.223 0.979 -8.400 620 H SER 80 H SER 80 7.568 6.773 -7.889 621 HA SER 80 HA SER 80 4.986 6.130 -8.703 622 1HB SER 80 2HB SER 80 5.617 6.591 -6.384 623 2HB SER 80 1HB SER 80 5.900 8.282 -6.787 624 HG SER 80 HG SER 80 3.885 8.287 -6.012 625 H GLU 81 H GLU 81 6.926 8.966 -9.389 626 HA GLU 81 HA GLU 81 4.903 10.691 -10.294 627 1HB GLU 81 2HB GLU 81 7.378 11.203 -9.898 628 2HB GLU 81 1HB GLU 81 7.672 10.508 -11.484 629 1HG GLU 81 2HG GLU 81 7.571 12.850 -11.763 630 2HG GLU 81 1HG GLU 81 6.068 12.194 -12.415 631 H ALA 82 H ALA 82 6.799 8.203 -11.942 632 HA ALA 82 HA ALA 82 5.481 8.567 -14.467 633 1HB ALA 82 1HB ALA 82 7.221 6.300 -13.499 634 2HB ALA 82 2HB ALA 82 7.778 7.741 -14.349 635 3HB ALA 82 3HB ALA 82 6.726 6.588 -15.167 636 H ILE 83 H ILE 83 5.026 6.603 -11.638 637 HA ILE 83 HA ILE 83 3.246 4.699 -12.740 638 HB ILE 83 HB ILE 83 3.618 5.673 -9.907 639 1HG1 ILE 83 2HG1 ILE 83 4.456 3.132 -11.322 640 2HG1 ILE 83 1HG1 ILE 83 5.516 4.470 -10.897 641 1HG2 ILE 83 1HG2 ILE 83 2.316 3.729 -9.186 642 2HG2 ILE 83 2HG2 ILE 83 1.957 3.346 -10.869 643 3HG2 ILE 83 3HG2 ILE 83 1.340 4.836 -10.154 644 1HD1 ILE 83 1HD1 ILE 83 5.768 2.637 -9.343 645 2HD1 ILE 83 2HD1 ILE 83 4.045 2.690 -8.969 646 3HD1 ILE 83 3HD1 ILE 83 5.085 4.044 -8.526 647 H GLY 84 H GLY 84 2.633 7.696 -10.878 648 1HA GLY 84 2HA GLY 84 -0.171 7.664 -11.137 649 2HA GLY 84 1HA GLY 84 0.809 9.100 -10.867 650 H ASP 85 H ASP 85 2.339 8.628 -13.309 651 HA ASP 85 HA ASP 85 0.764 10.103 -15.161 652 1HB ASP 85 2HB ASP 85 3.166 10.370 -15.101 653 2HB ASP 85 1HB ASP 85 3.412 8.665 -15.425 654 H ARG 86 H ARG 86 1.745 6.791 -14.826 655 HA ARG 86 HA ARG 86 1.059 5.710 -17.268 656 1HB ARG 86 2HB ARG 86 2.280 4.433 -15.634 657 2HB ARG 86 1HB ARG 86 0.930 4.488 -14.512 658 1HG ARG 86 2HG ARG 86 1.042 2.317 -15.523 659 2HG ARG 86 1HG ARG 86 -0.403 3.155 -16.090 660 1HD ARG 86 2HD ARG 86 0.987 3.851 -18.104 661 2HD ARG 86 1HD ARG 86 2.164 2.651 -17.567 662 HE ARG 86 HE ARG 86 -0.514 2.141 -18.622 663 1HH1 ARG 86 1HH1 ARG 86 2.440 0.860 -17.236 664 2HH1 ARG 86 2HH1 ARG 86 2.119 -0.774 -17.746 665 1HH2 ARG 86 1HH2 ARG 86 -0.920 0.012 -19.311 666 2HH2 ARG 86 2HH2 ARG 86 0.199 -1.260 -18.893 667 H PHE 87 H PHE 87 -1.033 5.786 -14.358 668 HA PHE 87 HA PHE 87 -3.281 4.896 -16.030 669 1HB PHE 87 2HB PHE 87 -3.703 5.520 -13.155 670 2HB PHE 87 1HB PHE 87 -4.343 4.200 -14.124 671 HD1 PHE 87 1HD PHE 87 -1.707 5.322 -11.958 672 HD2 PHE 87 2HD PHE 87 -2.970 2.194 -14.529 673 HE1 PHE 87 1HE PHE 87 -0.029 3.851 -10.974 674 HE2 PHE 87 2HE PHE 87 -1.289 0.686 -13.534 675 HZ PHE 87 HZ PHE 87 0.190 1.518 -11.747 676 H ASN 88 H ASN 88 -1.930 7.673 -14.756 677 HA ASN 88 HA ASN 88 -2.441 9.876 -15.072 678 1HB ASN 88 2HB ASN 88 -3.691 9.296 -17.115 679 2HB ASN 88 1HB ASN 88 -5.114 8.936 -16.148 680 1HD2 ASN 88 1HD2 ASN 88 -6.339 10.476 -17.220 681 2HD2 ASN 88 2HD2 ASN 88 -6.115 12.173 -16.973 682 H VAL 89 H VAL 89 -2.264 9.453 -12.754 683 HA VAL 89 HA VAL 89 -4.747 10.183 -11.350 684 HB VAL 89 HB VAL 89 -2.614 8.352 -10.228 685 1HG1 VAL 89 1HG1 VAL 89 -5.356 9.074 -9.216 686 2HG1 VAL 89 2HG1 VAL 89 -3.811 9.570 -8.525 687 3HG1 VAL 89 3HG1 VAL 89 -4.283 7.872 -8.497 688 1HG2 VAL 89 1HG2 VAL 89 -5.312 7.615 -11.362 689 2HG2 VAL 89 2HG2 VAL 89 -4.224 6.519 -10.508 690 3HG2 VAL 89 3HG2 VAL 89 -3.740 7.214 -12.054 691 H ARG 90 H ARG 90 -4.450 11.496 -9.502 692 HA ARG 90 HA ARG 90 -2.316 13.370 -9.665 693 1HB ARG 90 2HB ARG 90 -3.361 14.370 -7.664 694 2HB ARG 90 1HB ARG 90 -4.530 14.057 -8.939 695 1HG ARG 90 2HG ARG 90 -5.222 12.003 -7.772 696 2HG ARG 90 1HG ARG 90 -4.083 12.376 -6.479 697 1HD ARG 90 2HD ARG 90 -5.285 14.501 -6.088 698 2HD ARG 90 1HD ARG 90 -6.460 14.032 -7.315 699 HE ARG 90 HE ARG 90 -6.557 11.940 -5.637 700 1HH1 ARG 90 1HH1 ARG 90 -6.677 15.399 -5.054 701 2HH1 ARG 90 2HH1 ARG 90 -7.663 15.240 -3.627 702 1HH2 ARG 90 1HH2 ARG 90 -7.864 11.754 -3.779 703 2HH2 ARG 90 2HH2 ARG 90 -8.339 13.186 -2.913 704 H ARG 91 H ARG 91 -0.691 13.819 -8.092 705 HA ARG 91 HA ARG 91 0.275 11.389 -6.807 706 1HB ARG 91 2HB ARG 91 1.516 13.874 -7.756 707 2HB ARG 91 1HB ARG 91 2.174 13.257 -6.248 708 1HG ARG 91 2HG ARG 91 2.319 11.008 -7.508 709 2HG ARG 91 1HG ARG 91 2.171 12.007 -8.956 710 1HD ARG 91 2HD ARG 91 4.510 11.615 -8.410 711 2HD ARG 91 1HD ARG 91 4.105 13.322 -8.251 712 HE ARG 91 HE ARG 91 3.777 12.181 -5.743 713 1HH1 ARG 91 1HH1 ARG 91 6.369 12.778 -8.024 714 2HH1 ARG 91 2HH1 ARG 91 7.599 12.839 -6.795 715 1HH2 ARG 91 1HH2 ARG 91 5.407 12.297 -4.103 716 2HH2 ARG 91 2HH2 ARG 91 7.050 12.593 -4.589 717 H PHE 92 H PHE 92 -1.039 11.177 -5.044 718 HA PHE 92 HA PHE 92 -0.220 12.849 -2.786 719 1HB PHE 92 2HB PHE 92 -3.072 12.130 -3.501 720 2HB PHE 92 1HB PHE 92 -2.598 12.610 -1.876 721 HD1 PHE 92 1HD PHE 92 -1.718 14.895 -1.480 722 HD2 PHE 92 2HD PHE 92 -3.386 13.727 -5.217 723 HE1 PHE 92 1HE PHE 92 -1.989 17.262 -2.096 724 HE2 PHE 92 2HE PHE 92 -3.663 16.091 -5.839 725 HZ PHE 92 HZ PHE 92 -2.962 17.862 -4.279 726 HA PRO 93 HA PRO 93 0.568 8.976 -0.788 727 1HB PRO 93 2HB PRO 93 -0.621 9.490 1.689 728 2HB PRO 93 1HB PRO 93 1.047 9.866 1.245 729 1HG PRO 93 2HG PRO 93 -1.354 11.635 1.293 730 2HG PRO 93 1HG PRO 93 0.330 12.012 1.697 731 1HD PRO 93 2HD PRO 93 -0.762 12.799 -0.623 732 2HD PRO 93 1HD PRO 93 0.935 12.275 -0.529 733 H ALA 94 H ALA 94 -0.649 7.455 -1.765 734 HA ALA 94 HA ALA 94 -3.260 6.857 -0.634 735 1HB ALA 94 1HB ALA 94 -3.778 8.341 -2.493 736 2HB ALA 94 2HB ALA 94 -4.313 6.697 -2.844 737 3HB ALA 94 3HB ALA 94 -2.839 7.322 -3.583 738 H THR 95 H THR 95 -4.027 4.746 -1.233 739 HA THR 95 HA THR 95 -1.896 2.960 -2.211 740 HB THR 95 HB THR 95 -4.084 2.248 -0.239 741 HG1 THR 95 1HG THR 95 -1.703 3.507 0.111 742 1HG2 THR 95 1HG2 THR 95 -2.755 0.217 0.123 743 2HG2 THR 95 2HG2 THR 95 -1.609 0.743 -1.108 744 3HG2 THR 95 3HG2 THR 95 -3.268 0.348 -1.557 745 H LEU 96 H LEU 96 -2.389 1.940 -4.068 746 HA LEU 96 HA LEU 96 -5.140 2.070 -5.009 747 1HB LEU 96 2HB LEU 96 -2.621 1.180 -6.412 748 2HB LEU 96 1HB LEU 96 -4.204 1.274 -7.146 749 HG LEU 96 HG LEU 96 -2.543 3.579 -6.144 750 1HD1 LEU 96 1HD1 LEU 96 -3.484 2.817 -8.905 751 2HD1 LEU 96 2HD1 LEU 96 -1.836 2.668 -8.291 752 3HD1 LEU 96 3HD1 LEU 96 -2.563 4.262 -8.491 753 1HD2 LEU 96 1HD2 LEU 96 -5.312 3.622 -7.337 754 2HD2 LEU 96 2HD2 LEU 96 -4.331 5.032 -6.938 755 3HD2 LEU 96 3HD2 LEU 96 -4.909 3.968 -5.656 756 H VAL 97 H VAL 97 -6.470 0.417 -4.929 757 HA VAL 97 HA VAL 97 -5.444 -2.162 -3.992 758 HB VAL 97 HB VAL 97 -8.290 -1.152 -4.159 759 1HG1 VAL 97 1HG1 VAL 97 -7.182 -3.635 -2.854 760 2HG1 VAL 97 2HG1 VAL 97 -8.175 -3.577 -4.311 761 3HG1 VAL 97 3HG1 VAL 97 -8.854 -3.076 -2.763 762 1HG2 VAL 97 1HG2 VAL 97 -8.147 -0.981 -1.713 763 2HG2 VAL 97 2HG2 VAL 97 -7.007 0.093 -2.524 764 3HG2 VAL 97 3HG2 VAL 97 -6.437 -1.407 -1.795 765 H PHE 98 H PHE 98 -4.978 -3.591 -5.495 766 HA PHE 98 HA PHE 98 -6.539 -3.617 -7.979 767 1HB PHE 98 2HB PHE 98 -3.817 -4.788 -7.358 768 2HB PHE 98 1HB PHE 98 -4.651 -4.943 -8.901 769 HD1 PHE 98 1HD PHE 98 -3.078 -2.540 -6.587 770 HD2 PHE 98 2HD PHE 98 -4.600 -3.211 -10.503 771 HE1 PHE 98 1HE PHE 98 -2.084 -0.421 -7.331 772 HE2 PHE 98 2HE PHE 98 -3.601 -1.086 -11.247 773 HZ PHE 98 HZ PHE 98 -2.353 0.313 -9.664 774 H THR 99 H THR 99 -8.106 -5.025 -7.983 775 HA THR 99 HA THR 99 -7.570 -7.763 -7.120 776 HB THR 99 HB THR 99 -10.215 -6.524 -6.396 777 HG1 THR 99 1HG THR 99 -7.747 -6.216 -5.107 778 1HG2 THR 99 1HG2 THR 99 -10.016 -8.969 -6.362 779 2HG2 THR 99 2HG2 THR 99 -10.246 -8.333 -4.734 780 3HG2 THR 99 3HG2 THR 99 -8.643 -8.845 -5.259 781 H ASP 100 H ASP 100 -8.909 -9.283 -8.226 782 HA ASP 100 HA ASP 100 -10.018 -10.129 -10.041 783 1HB ASP 100 2HB ASP 100 -11.777 -8.408 -9.323 784 2HB ASP 100 1HB ASP 100 -11.110 -7.356 -10.555 785 H GLY 101 H GLY 101 -7.475 -8.351 -10.055 786 1HA GLY 101 2HA GLY 101 -5.844 -7.947 -11.655 787 2HA GLY 101 1HA GLY 101 -6.971 -8.485 -12.894 788 H LYS 102 H LYS 102 -8.597 -6.323 -11.024 789 HA LYS 102 HA LYS 102 -8.014 -4.151 -12.931 790 1HB LYS 102 2HB LYS 102 -10.535 -4.759 -11.384 791 2HB LYS 102 1HB LYS 102 -10.314 -3.374 -12.442 792 1HG LYS 102 2HG LYS 102 -10.227 -6.262 -13.288 793 2HG LYS 102 1HG LYS 102 -11.582 -5.155 -13.517 794 1HD LYS 102 2HD LYS 102 -10.072 -3.691 -14.855 795 2HD LYS 102 1HD LYS 102 -8.828 -4.937 -14.724 796 1HE LYS 102 2HE LYS 102 -10.031 -5.091 -16.846 797 2HE LYS 102 1HE LYS 102 -10.286 -6.527 -15.855 798 1HZ LYS 102 1HZ LYS 102 -12.329 -5.682 -16.921 799 2HZ LYS 102 2HZ LYS 102 -12.190 -4.249 -16.022 800 3HZ LYS 102 3HZ LYS 102 -12.443 -5.729 -15.229 801 H LEU 103 H LEU 103 -7.775 -2.050 -12.190 802 HA LEU 103 HA LEU 103 -7.098 -1.621 -9.450 803 1HB LEU 103 2HB LEU 103 -6.114 -0.275 -11.258 804 2HB LEU 103 1HB LEU 103 -7.697 0.370 -11.648 805 HG LEU 103 HG LEU 103 -7.792 1.512 -9.498 806 1HD1 LEU 103 1HD1 LEU 103 -5.058 0.352 -9.016 807 2HD1 LEU 103 2HD1 LEU 103 -6.538 -0.088 -8.164 808 3HD1 LEU 103 3HD1 LEU 103 -5.875 1.538 -7.996 809 1HD2 LEU 103 1HD2 LEU 103 -5.193 2.020 -10.932 810 2HD2 LEU 103 2HD2 LEU 103 -6.034 3.151 -9.873 811 3HD2 LEU 103 3HD2 LEU 103 -6.767 2.661 -11.399 812 H ARG 104 H ARG 104 -8.681 -1.967 -8.035 813 HA ARG 104 HA ARG 104 -11.424 -1.290 -8.785 814 1HB ARG 104 2HB ARG 104 -10.905 -3.605 -8.137 815 2HB ARG 104 1HB ARG 104 -10.349 -3.044 -6.572 816 1HG ARG 104 2HG ARG 104 -12.566 -3.988 -6.409 817 2HG ARG 104 1HG ARG 104 -12.597 -2.263 -6.045 818 1HD ARG 104 2HD ARG 104 -14.490 -2.924 -7.439 819 2HD ARG 104 1HD ARG 104 -13.436 -1.786 -8.274 820 HE ARG 104 HE ARG 104 -12.837 -3.444 -9.776 821 1HH1 ARG 104 1HH1 ARG 104 -14.803 -4.800 -7.208 822 2HH1 ARG 104 2HH1 ARG 104 -15.187 -6.250 -8.079 823 1HH2 ARG 104 1HH2 ARG 104 -13.351 -5.344 -10.939 824 2HH2 ARG 104 2HH2 ARG 104 -14.373 -6.549 -10.219 825 H GLY 105 H GLY 105 -8.981 -0.579 -6.371 826 1HA GLY 105 2HA GLY 105 -10.833 1.419 -5.238 827 2HA GLY 105 1HA GLY 105 -9.925 0.352 -4.179 828 H ALA 106 H ALA 106 -9.955 3.303 -4.501 829 HA ALA 106 HA ALA 106 -7.046 3.595 -4.452 830 1HB ALA 106 1HB ALA 106 -7.691 4.345 -6.684 831 2HB ALA 106 2HB ALA 106 -7.171 5.714 -5.702 832 3HB ALA 106 3HB ALA 106 -8.886 5.436 -5.986 833 H LEU 107 H LEU 107 -6.886 3.975 -2.298 834 HA LEU 107 HA LEU 107 -8.732 5.954 -1.134 835 1HB LEU 107 2HB LEU 107 -7.535 3.470 0.064 836 2HB LEU 107 1HB LEU 107 -8.176 4.754 1.062 837 HG LEU 107 HG LEU 107 -9.822 3.051 0.884 838 1HD1 LEU 107 1HD1 LEU 107 -11.700 4.260 -0.137 839 2HD1 LEU 107 2HD1 LEU 107 -10.554 5.369 -0.895 840 3HD1 LEU 107 3HD1 LEU 107 -10.690 5.306 0.863 841 1HD2 LEU 107 1HD2 LEU 107 -9.578 3.286 -2.107 842 2HD2 LEU 107 2HD2 LEU 107 -10.752 2.295 -1.242 843 3HD2 LEU 107 3HD2 LEU 107 -9.029 1.933 -1.120 844 H SER 108 H SER 108 -7.950 7.596 0.038 845 HA SER 108 HA SER 108 -5.032 7.729 0.451 846 1HB SER 108 2HB SER 108 -6.955 10.027 -0.011 847 2HB SER 108 1HB SER 108 -5.204 10.152 0.161 848 HG SER 108 HG SER 108 -4.973 8.993 -1.756 849 H GLY 109 H GLY 109 -7.456 6.843 2.146 850 1HA GLY 109 2HA GLY 109 -7.772 8.753 4.227 851 2HA GLY 109 1HA GLY 109 -8.238 7.062 4.295 852 H ILE 110 H ILE 110 -7.269 8.238 6.534 853 HA ILE 110 HA ILE 110 -4.432 7.571 6.738 854 HB ILE 110 HB ILE 110 -6.237 8.807 8.838 855 1HG1 ILE 110 2HG1 ILE 110 -4.710 10.845 8.303 856 2HG1 ILE 110 1HG1 ILE 110 -4.405 10.018 6.782 857 1HG2 ILE 110 1HG2 ILE 110 -3.237 8.499 8.744 858 2HG2 ILE 110 2HG2 ILE 110 -4.344 7.619 9.798 859 3HG2 ILE 110 3HG2 ILE 110 -4.143 9.361 9.987 860 1HD1 ILE 110 1HD1 ILE 110 -6.145 11.675 6.531 861 2HD1 ILE 110 2HD1 ILE 110 -7.090 10.910 7.810 862 3HD1 ILE 110 3HD1 ILE 110 -6.801 10.056 6.295 863 H HIS 111 H HIS 111 -7.084 7.130 9.069 864 HA HIS 111 HA HIS 111 -6.718 4.257 9.011 865 1HB HIS 111 2HB HIS 111 -5.093 5.345 10.739 866 2HB HIS 111 1HB HIS 111 -6.544 5.567 11.712 867 HD1 HIS 111 1HD HIS 111 -3.896 3.485 11.881 868 HD2 HIS 111 2HD HIS 111 -7.944 2.657 11.354 869 HE1 HIS 111 1HE HIS 111 -4.208 1.099 12.615 870 HE2 HIS 111 2HE HIS 111 -6.626 0.565 12.128 871 HA PRO 112 HA PRO 112 -10.910 5.472 11.002 872 1HB PRO 112 2HB PRO 112 -11.007 8.372 11.199 873 2HB PRO 112 1HB PRO 112 -11.255 7.173 12.470 874 1HG PRO 112 2HG PRO 112 -9.106 8.830 12.404 875 2HG PRO 112 1HG PRO 112 -9.046 7.201 13.107 876 1HD PRO 112 2HD PRO 112 -8.133 8.137 10.405 877 2HD PRO 112 1HD PRO 112 -7.327 7.037 11.546 878 H TRP 113 H TRP 113 -10.408 5.074 8.482 879 HA TRP 113 HA TRP 113 -10.869 7.249 6.716 880 1HB TRP 113 2HB TRP 113 -11.027 5.369 4.981 881 2HB TRP 113 1HB TRP 113 -9.510 5.545 5.853 882 HD1 TRP 113 HD TRP 113 -12.730 3.373 6.122 883 HE1 TRP 113 1HE TRP 113 -12.033 1.034 6.939 884 HE3 TRP 113 3HE TRP 113 -7.727 4.197 6.767 885 HZ2 TRP 113 2HZ TRP 113 -9.679 -0.288 7.735 886 HZ3 TRP 113 3HZ TRP 113 -6.326 2.342 7.569 887 HH2 TRP 113 HH TRP 113 -7.279 0.148 8.041 888 H ALA 114 H ALA 114 -12.921 4.710 8.009 889 HA ALA 114 HA ALA 114 -15.163 4.419 8.078 890 1HB ALA 114 1HB ALA 114 -15.261 6.803 8.648 891 2HB ALA 114 2HB ALA 114 -16.663 6.282 7.712 892 3HB ALA 114 3HB ALA 114 -15.370 7.198 6.933 893 H GLU 115 H GLU 115 -14.313 6.082 5.036 894 HA GLU 115 HA GLU 115 -16.443 5.251 3.492 895 1HB GLU 115 2HB GLU 115 -13.594 5.735 2.614 896 2HB GLU 115 1HB GLU 115 -14.989 5.675 1.543 897 1HG GLU 115 2HG GLU 115 -15.949 7.607 2.667 898 2HG GLU 115 1HG GLU 115 -14.570 7.660 3.765 899 H LEU 116 H LEU 116 -13.379 3.543 4.044 900 HA LEU 116 HA LEU 116 -13.667 1.584 2.092 901 1HB LEU 116 2HB LEU 116 -12.152 1.736 4.642 902 2HB LEU 116 1HB LEU 116 -12.304 0.172 3.865 903 HG LEU 116 HG LEU 116 -11.165 2.636 2.548 904 1HD1 LEU 116 1HD1 LEU 116 -9.010 1.476 2.763 905 2HD1 LEU 116 2HD1 LEU 116 -9.794 0.221 3.720 906 3HD1 LEU 116 3HD1 LEU 116 -9.711 1.873 4.332 907 1HD2 LEU 116 1HD2 LEU 116 -11.225 -0.247 1.667 908 2HD2 LEU 116 2HD2 LEU 116 -10.457 1.090 0.808 909 3HD2 LEU 116 3HD2 LEU 116 -12.211 1.053 0.997 910 H LEU 117 H LEU 117 -15.132 1.775 5.271 911 HA LEU 117 HA LEU 117 -15.902 -0.914 5.544 912 1HB LEU 117 2HB LEU 117 -17.038 1.645 6.640 913 2HB LEU 117 1HB LEU 117 -17.809 0.104 6.960 914 HG LEU 117 HG LEU 117 -16.444 0.668 8.843 915 1HD1 LEU 117 1HD1 LEU 117 -14.913 -1.242 8.926 916 2HD1 LEU 117 2HD1 LEU 117 -15.092 -1.453 7.185 917 3HD1 LEU 117 3HD1 LEU 117 -16.480 -1.681 8.249 918 1HD2 LEU 117 1HD2 LEU 117 -14.941 2.252 7.773 919 2HD2 LEU 117 2HD2 LEU 117 -14.141 0.932 6.918 920 3HD2 LEU 117 3HD2 LEU 117 -14.037 1.037 8.676 921 H THR 118 H THR 118 -17.389 1.791 3.869 922 HA THR 118 HA THR 118 -19.688 0.206 3.089 923 HB THR 118 HB THR 118 -18.919 2.973 2.137 924 HG1 THR 118 1HG THR 118 -20.441 2.122 4.400 925 1HG2 THR 118 1HG2 THR 118 -21.329 3.202 1.707 926 2HG2 THR 118 2HG2 THR 118 -21.577 1.536 2.233 927 3HG2 THR 118 3HG2 THR 118 -20.633 1.869 0.781 928 H LEU 119 H LEU 119 -16.695 1.420 1.685 929 HA LEU 119 HA LEU 119 -17.392 0.902 -1.013 930 1HB LEU 119 2HB LEU 119 -14.691 1.253 0.278 931 2HB LEU 119 1HB LEU 119 -14.960 1.184 -1.452 932 HG LEU 119 HG LEU 119 -16.021 3.302 0.419 933 1HD1 LEU 119 1HD1 LEU 119 -13.612 3.460 -0.003 934 2HD1 LEU 119 2HD1 LEU 119 -14.499 4.791 -0.747 935 3HD1 LEU 119 3HD1 LEU 119 -13.922 3.453 -1.740 936 1HD2 LEU 119 1HD2 LEU 119 -17.569 2.820 -1.420 937 2HD2 LEU 119 2HD2 LEU 119 -16.265 3.079 -2.578 938 3HD2 LEU 119 3HD2 LEU 119 -16.835 4.415 -1.576 939 H MET 120 H MET 120 -15.320 -0.929 1.276 940 HA MET 120 HA MET 120 -14.810 -2.957 -0.673 941 1HB MET 120 2HB MET 120 -13.658 -4.166 1.053 942 2HB MET 120 1HB MET 120 -13.247 -2.470 1.198 943 1HG MET 120 2HG MET 120 -13.539 -3.086 3.383 944 2HG MET 120 1HG MET 120 -15.121 -2.417 2.984 945 1HE MET 120 1HE MET 120 -16.174 -3.615 5.126 946 2HE MET 120 2HE MET 120 -14.568 -4.228 5.514 947 3HE MET 120 3HE MET 120 -15.949 -5.327 5.485 948 H ARG 121 H ARG 121 -17.225 -2.390 1.698 949 HA ARG 121 HA ARG 121 -18.361 -4.898 2.060 950 1HB ARG 121 2HB ARG 121 -18.909 -2.554 3.073 951 2HB ARG 121 1HB ARG 121 -20.013 -2.410 1.715 952 1HG ARG 121 2HG ARG 121 -21.169 -4.444 2.469 953 2HG ARG 121 1HG ARG 121 -20.086 -4.512 3.866 954 1HD ARG 121 2HD ARG 121 -20.842 -2.088 4.289 955 2HD ARG 121 1HD ARG 121 -22.169 -2.469 3.196 956 HE ARG 121 HE ARG 121 -21.723 -4.227 5.489 957 1HH1 ARG 121 1HH1 ARG 121 -23.651 -1.751 3.906 958 2HH1 ARG 121 2HH1 ARG 121 -24.957 -1.875 5.053 959 1HH2 ARG 121 1HH2 ARG 121 -23.452 -4.397 6.971 960 2HH2 ARG 121 2HH2 ARG 121 -24.842 -3.371 6.783 961 H SER 122 H SER 122 -18.907 -2.482 -0.452 962 HA SER 122 HA SER 122 -20.805 -3.997 -1.911 963 1HB SER 122 2HB SER 122 -19.166 -1.611 -2.778 964 2HB SER 122 1HB SER 122 -20.704 -2.144 -3.421 965 HG SER 122 HG SER 122 -20.158 -0.939 -0.938 966 H ILE 123 H ILE 123 -17.323 -3.703 -1.914 967 HA ILE 123 HA ILE 123 -17.053 -4.628 -4.647 968 HB ILE 123 HB ILE 123 -15.019 -3.853 -2.568 969 1HG1 ILE 123 2HG1 ILE 123 -15.830 -2.530 -5.166 970 2HG1 ILE 123 1HG1 ILE 123 -16.388 -2.035 -3.572 971 1HG2 ILE 123 1HG2 ILE 123 -14.545 -4.689 -5.427 972 2HG2 ILE 123 2HG2 ILE 123 -14.052 -5.572 -3.982 973 3HG2 ILE 123 3HG2 ILE 123 -13.335 -4.002 -4.343 974 1HD1 ILE 123 1HD1 ILE 123 -14.117 -1.456 -2.936 975 2HD1 ILE 123 2HD1 ILE 123 -14.593 -0.607 -4.405 976 3HD1 ILE 123 3HD1 ILE 123 -13.525 -2.007 -4.503 977 H VAL 124 H VAL 124 -16.123 -5.860 -1.420 978 HA VAL 124 HA VAL 124 -15.440 -8.389 -2.732 979 HB VAL 124 HB VAL 124 -14.118 -8.931 -0.665 980 1HG1 VAL 124 1HG1 VAL 124 -12.211 -7.563 -1.283 981 2HG1 VAL 124 2HG1 VAL 124 -13.271 -6.456 -2.157 982 3HG1 VAL 124 3HG1 VAL 124 -13.074 -8.116 -2.718 983 1HG2 VAL 124 1HG2 VAL 124 -14.593 -6.019 -0.025 984 2HG2 VAL 124 2HG2 VAL 124 -13.433 -7.068 0.790 985 3HG2 VAL 124 3HG2 VAL 124 -15.161 -7.401 0.913 986 H ASP 125 H ASP 125 -17.777 -8.579 -2.772 987 HA ASP 125 HA ASP 125 -19.490 -8.818 -0.661 988 1HB ASP 125 2HB ASP 125 -20.905 -10.096 -2.125 989 2HB ASP 125 1HB ASP 125 -20.093 -8.866 -3.072 990 H THR 126 H THR 126 -17.542 -11.434 -2.084 991 HA THR 126 HA THR 126 -16.851 -13.446 -1.291 992 HB THR 126 HB THR 126 -16.968 -12.183 1.447 993 HG1 THR 126 1HG THR 126 -15.878 -10.708 0.207 994 1HG2 THR 126 1HG2 THR 126 -16.379 -14.573 1.359 995 2HG2 THR 126 2HG2 THR 126 -15.014 -13.584 1.879 996 3HG2 THR 126 3HG2 THR 126 -15.077 -14.202 0.227 997 HA PRO 127 HA PRO 127 -21.042 -14.814 0.034 998 1HB PRO 127 2HB PRO 127 -21.341 -16.772 -1.784 999 2HB PRO 127 1HB PRO 127 -21.611 -15.072 -2.191 1000 1HG PRO 127 2HG PRO 127 -19.233 -16.802 -2.737 1001 2HG PRO 127 1HG PRO 127 -20.014 -15.610 -3.791 1002 1HD PRO 127 2HD PRO 127 -17.732 -15.122 -2.348 1003 2HD PRO 127 1HD PRO 127 -18.872 -13.862 -2.858 1004 H ALA 128 H ALA 128 -18.686 -15.533 1.444 1005 HA ALA 128 HA ALA 128 -19.432 -18.117 2.411 1006 1HB ALA 128 1HB ALA 128 -16.747 -17.879 1.051 1007 2HB ALA 128 2HB ALA 128 -18.114 -18.832 0.473 1008 3HB ALA 128 3HB ALA 128 -17.311 -19.266 1.982 1009 H ALA 129 H ALA 129 -18.443 -18.625 4.388 1010 HA ALA 129 HA ALA 129 -16.789 -16.481 5.559 1011 1HB ALA 129 1HB ALA 129 -17.674 -17.182 7.750 1012 2HB ALA 129 2HB ALA 129 -18.696 -18.373 6.947 1013 3HB ALA 129 3HB ALA 129 -18.960 -16.653 6.664 1014 H GLN 130 H GLN 130 -14.792 -17.072 6.319 1015 HA GLN 130 HA GLN 130 -14.188 -19.939 6.132 1016 1HB GLN 130 2HB GLN 130 -12.009 -19.354 5.138 1017 2HB GLN 130 1HB GLN 130 -13.369 -18.864 4.140 1018 1HG GLN 130 2HG GLN 130 -13.117 -16.563 4.935 1019 2HG GLN 130 1HG GLN 130 -11.740 -17.059 5.920 1020 1HE2 GLN 130 1HE2 GLN 130 -11.839 -15.104 3.764 1021 2HE2 GLN 130 2HE2 GLN 130 -10.703 -15.646 2.580 1022 H GLU 131 H GLU 131 -13.502 -20.771 7.886 1023 HA GLU 131 HA GLU 131 -12.113 -21.313 9.557 1024 1HB GLU 131 2HB GLU 131 -10.427 -20.223 7.996 1025 2HB GLU 131 1HB GLU 131 -10.518 -18.821 9.053 1026 1HG GLU 131 2HG GLU 131 -8.642 -20.494 9.459 1027 2HG GLU 131 1HG GLU 131 -9.585 -19.965 10.854 1028 H THR 132 H THR 132 -11.600 -20.930 11.721 1029 HA THR 132 HA THR 132 -12.323 -18.496 13.047 1030 HB THR 132 HB THR 132 -14.581 -19.343 12.662 1031 HG1 THR 132 1HG THR 132 -13.587 -19.506 15.318 1032 1HG2 THR 132 1HG2 THR 132 -14.104 -21.709 12.380 1033 2HG2 THR 132 2HG2 THR 132 -15.313 -21.492 13.645 1034 3HG2 THR 132 3HG2 THR 132 -13.637 -21.844 14.075 1035 H VAL 133 H VAL 133 -10.117 -20.500 12.817 1036 HA VAL 133 HA VAL 133 -9.854 -22.121 15.057 1037 HB VAL 133 HB VAL 133 -7.331 -21.760 14.770 1038 1HG1 VAL 133 1HG1 VAL 133 -8.530 -23.658 13.835 1039 2HG1 VAL 133 2HG1 VAL 133 -7.290 -23.092 12.715 1040 3HG1 VAL 133 3HG1 VAL 133 -8.983 -22.695 12.432 1041 1HG2 VAL 133 1HG2 VAL 133 -6.651 -20.727 12.651 1042 2HG2 VAL 133 2HG2 VAL 133 -7.412 -19.561 13.735 1043 3HG2 VAL 133 3HG2 VAL 133 -8.318 -20.222 12.371 1044 H GLN 134 H GLN 134 -9.262 -18.666 14.783 1045 HA GLN 134 HA GLN 134 -8.085 -18.360 17.355 1046 1HB GLN 134 2HB GLN 134 -9.230 -16.528 15.305 1047 2HB GLN 134 1HB GLN 134 -9.098 -15.922 16.948 1048 1HG GLN 134 2HG GLN 134 -7.172 -15.297 15.599 1049 2HG GLN 134 1HG GLN 134 -6.711 -16.342 16.941 1050 1HE2 GLN 134 1HE2 GLN 134 -5.951 -18.393 16.530 1051 2HE2 GLN 134 2HE2 GLN 134 -5.473 -18.911 14.943 Start of MODEL 18 1 1H MET 1 1HT MET 1 2.598 10.237 12.582 2 2H MET 1 2HT MET 1 1.260 9.779 13.513 3 3H MET 1 3HT MET 1 2.768 10.016 14.255 4 HA MET 1 HA MET 1 1.223 12.120 12.877 5 1HB MET 1 2HB MET 1 0.863 13.014 15.212 6 2HB MET 1 1HB MET 1 -0.033 11.557 14.819 7 1HG MET 1 2HG MET 1 1.665 10.227 16.016 8 2HG MET 1 1HG MET 1 2.473 11.724 16.475 9 1HE MET 1 1HE MET 1 -0.219 13.432 18.754 10 2HE MET 1 2HE MET 1 0.040 13.671 17.027 11 3HE MET 1 3HE MET 1 1.420 13.536 18.115 12 H ALA 2 H ALA 2 2.842 13.091 11.867 13 HA ALA 2 HA ALA 2 4.676 14.372 11.499 14 1HB ALA 2 1HB ALA 2 4.994 14.488 14.501 15 2HB ALA 2 2HB ALA 2 4.087 15.640 13.518 16 3HB ALA 2 3HB ALA 2 5.834 15.495 13.320 17 H ASN 3 H ASN 3 6.994 14.143 11.367 18 HA ASN 3 HA ASN 3 7.698 11.355 11.484 19 1HB ASN 3 2HB ASN 3 9.352 13.718 10.564 20 2HB ASN 3 1HB ASN 3 9.774 12.023 10.344 21 1HD2 ASN 3 1HD2 ASN 3 8.532 10.754 8.908 22 2HD2 ASN 3 2HD2 ASN 3 7.597 11.489 7.654 23 H ASP 4 H ASP 4 7.682 11.045 13.752 24 HA ASP 4 HA ASP 4 9.678 12.347 15.376 25 1HB ASP 4 2HB ASP 4 8.881 10.963 17.169 26 2HB ASP 4 1HB ASP 4 7.474 11.500 16.262 27 H THR 5 H THR 5 9.459 9.600 13.344 28 HA THR 5 HA THR 5 12.235 8.920 14.039 29 HB THR 5 HB THR 5 10.249 6.944 12.899 30 HG1 THR 5 1HG THR 5 10.017 7.923 15.244 31 1HG2 THR 5 1HG2 THR 5 12.910 6.593 14.290 32 2HG2 THR 5 2HG2 THR 5 12.611 6.412 12.561 33 3HG2 THR 5 3HG2 THR 5 11.875 5.289 13.704 34 HA PRO 6 HA PRO 6 11.797 10.285 9.631 35 1HB PRO 6 2HB PRO 6 13.470 12.363 9.649 36 2HB PRO 6 1HB PRO 6 11.860 12.489 10.367 37 1HG PRO 6 2HG PRO 6 14.508 12.127 11.697 38 2HG PRO 6 1HG PRO 6 13.126 13.115 12.202 39 1HD PRO 6 2HD PRO 6 13.749 10.581 13.178 40 2HD PRO 6 1HD PRO 6 12.169 11.375 13.313 41 H PHE 7 H PHE 7 13.385 8.084 10.464 42 HA PHE 7 HA PHE 7 15.993 8.572 9.216 43 1HB PHE 7 2HB PHE 7 15.008 6.246 10.882 44 2HB PHE 7 1HB PHE 7 16.614 6.353 10.168 45 HD1 PHE 7 1HD PHE 7 18.164 8.158 10.916 46 HD2 PHE 7 2HD PHE 7 14.493 7.334 12.907 47 HE1 PHE 7 1HE PHE 7 18.971 9.369 12.899 48 HE2 PHE 7 2HE PHE 7 15.289 8.551 14.891 49 HZ PHE 7 HZ PHE 7 17.532 9.573 14.889 50 H SER 8 H SER 8 12.969 7.031 8.703 51 HA SER 8 HA SER 8 12.092 5.789 7.020 52 1HB SER 8 2HB SER 8 14.441 6.878 5.444 53 2HB SER 8 1HB SER 8 12.956 6.209 4.768 54 HG SER 8 HG SER 8 13.116 8.585 4.986 55 H ALA 9 H ALA 9 14.234 4.652 8.763 56 HA ALA 9 HA ALA 9 15.921 2.910 7.388 57 1HB ALA 9 1HB ALA 9 16.139 1.719 9.508 58 2HB ALA 9 2HB ALA 9 14.724 2.566 10.135 59 3HB ALA 9 3HB ALA 9 16.191 3.465 9.747 60 H LEU 10 H LEU 10 12.550 2.667 8.134 61 HA LEU 10 HA LEU 10 12.100 -0.055 8.052 62 1HB LEU 10 2HB LEU 10 10.358 2.159 6.972 63 2HB LEU 10 1HB LEU 10 9.830 0.505 7.185 64 HG LEU 10 HG LEU 10 8.966 1.683 9.020 65 1HD1 LEU 10 1HD1 LEU 10 10.113 0.735 10.964 66 2HD1 LEU 10 2HD1 LEU 10 11.494 0.334 9.942 67 3HD1 LEU 10 3HD1 LEU 10 9.934 -0.437 9.658 68 1HD2 LEU 10 1HD2 LEU 10 11.698 2.883 9.452 69 2HD2 LEU 10 2HD2 LEU 10 10.288 3.129 10.483 70 3HD2 LEU 10 3HD2 LEU 10 10.277 3.718 8.821 71 H TRP 11 H TRP 11 12.266 2.228 5.338 72 HA TRP 11 HA TRP 11 11.452 0.466 3.325 73 1HB TRP 11 2HB TRP 11 11.598 2.980 3.211 74 2HB TRP 11 1HB TRP 11 13.332 2.812 3.019 75 HD1 TRP 11 HD TRP 11 13.056 4.126 0.691 76 HE1 TRP 11 1HE TRP 11 12.419 3.320 -1.667 77 HE3 TRP 11 3HE TRP 11 10.953 -0.396 1.902 78 HZ2 TRP 11 2HZ TRP 11 11.218 1.062 -2.857 79 HZ3 TRP 11 3HZ TRP 11 10.093 -1.810 0.088 80 HH2 TRP 11 HH TRP 11 10.222 -1.094 -2.243 81 H GLN 12 H GLN 12 14.594 1.014 4.785 82 HA GLN 12 HA GLN 12 16.200 -0.312 2.902 83 1HB GLN 12 2HB GLN 12 16.528 0.032 5.885 84 2HB GLN 12 1HB GLN 12 17.777 -0.570 4.815 85 1HG GLN 12 2HG GLN 12 16.497 2.134 4.571 86 2HG GLN 12 1HG GLN 12 18.018 1.820 5.405 87 1HE2 GLN 12 1HE2 GLN 12 16.421 2.031 2.330 88 2HE2 GLN 12 2HE2 GLN 12 17.847 2.022 1.358 89 H ARG 13 H ARG 13 14.658 -1.466 5.884 90 HA ARG 13 HA ARG 13 15.497 -4.164 5.460 91 1HB ARG 13 2HB ARG 13 13.687 -2.865 7.470 92 2HB ARG 13 1HB ARG 13 13.883 -4.616 7.397 93 1HG ARG 13 2HG ARG 13 16.051 -2.576 7.860 94 2HG ARG 13 1HG ARG 13 15.403 -3.731 9.031 95 1HD ARG 13 2HD ARG 13 16.345 -5.566 7.921 96 2HD ARG 13 1HD ARG 13 16.612 -4.647 6.443 97 HE ARG 13 HE ARG 13 18.111 -3.738 8.752 98 1HH1 ARG 13 1HH1 ARG 13 18.051 -5.681 5.841 99 2HH1 ARG 13 2HH1 ARG 13 19.778 -5.845 5.753 100 1HH2 ARG 13 1HH2 ARG 13 20.389 -3.937 8.646 101 2HH2 ARG 13 2HH2 ARG 13 21.115 -4.870 7.370 102 H LEU 14 H LEU 14 12.637 -2.328 4.661 103 HA LEU 14 HA LEU 14 10.976 -4.512 3.996 104 1HB LEU 14 2HB LEU 14 11.044 -1.759 2.756 105 2HB LEU 14 1HB LEU 14 9.743 -2.921 2.580 106 HG LEU 14 HG LEU 14 10.574 -1.523 5.124 107 1HD1 LEU 14 1HD1 LEU 14 9.334 -0.108 3.580 108 2HD1 LEU 14 2HD1 LEU 14 8.356 -0.511 4.993 109 3HD1 LEU 14 3HD1 LEU 14 8.069 -1.332 3.458 110 1HD2 LEU 14 1HD2 LEU 14 8.632 -2.642 6.137 111 2HD2 LEU 14 2HD2 LEU 14 9.882 -3.783 5.642 112 3HD2 LEU 14 3HD2 LEU 14 8.427 -3.589 4.664 113 H LEU 15 H LEU 15 13.419 -2.724 2.190 114 HA LEU 15 HA LEU 15 13.162 -4.109 -0.252 115 1HB LEU 15 2HB LEU 15 15.469 -2.661 1.032 116 2HB LEU 15 1HB LEU 15 15.584 -3.385 -0.559 117 HG LEU 15 HG LEU 15 13.577 -1.252 0.169 118 1HD1 LEU 15 1HD1 LEU 15 16.237 -1.005 -1.232 119 2HD1 LEU 15 2HD1 LEU 15 15.834 -0.364 0.362 120 3HD1 LEU 15 3HD1 LEU 15 15.035 0.277 -1.074 121 1HD2 LEU 15 1HD2 LEU 15 14.485 -2.368 -2.483 122 2HD2 LEU 15 2HD2 LEU 15 13.328 -1.057 -2.252 123 3HD2 LEU 15 3HD2 LEU 15 12.935 -2.685 -1.703 124 H THR 16 H THR 16 14.639 -4.913 2.770 125 HA THR 16 HA THR 16 16.412 -6.924 1.836 126 HB THR 16 HB THR 16 15.170 -6.720 4.587 127 HG1 THR 16 1HG THR 16 16.543 -4.874 3.464 128 1HG2 THR 16 1HG2 THR 16 17.766 -7.940 3.646 129 2HG2 THR 16 2HG2 THR 16 16.330 -8.833 4.144 130 3HG2 THR 16 3HG2 THR 16 17.214 -7.857 5.318 131 H ARG 17 H ARG 17 13.165 -7.045 3.307 132 HA ARG 17 HA ARG 17 12.470 -9.344 1.728 133 1HB ARG 17 2HB ARG 17 13.770 -10.363 3.601 134 2HB ARG 17 1HB ARG 17 12.616 -9.669 4.734 135 1HG ARG 17 2HG ARG 17 12.049 -11.959 4.394 136 2HG ARG 17 1HG ARG 17 10.820 -10.969 3.604 137 1HD ARG 17 2HD ARG 17 11.373 -12.767 2.128 138 2HD ARG 17 1HD ARG 17 12.057 -11.286 1.457 139 HE ARG 17 HE ARG 17 13.683 -13.191 3.021 140 1HH1 ARG 17 1HH1 ARG 17 13.183 -11.219 0.164 141 2HH1 ARG 17 2HH1 ARG 17 14.742 -11.578 -0.505 142 1HH2 ARG 17 1HH2 ARG 17 15.728 -13.656 2.139 143 2HH2 ARG 17 2HH2 ARG 17 16.196 -12.959 0.613 144 H GLY 18 H GLY 18 10.345 -9.231 1.293 145 1HA GLY 18 2HA GLY 18 8.122 -9.341 2.398 146 2HA GLY 18 1HA GLY 18 8.615 -7.916 3.299 147 H TRP 19 H TRP 19 9.375 -6.071 1.737 148 HA TRP 19 HA TRP 19 7.034 -5.632 0.043 149 1HB TRP 19 2HB TRP 19 9.020 -3.725 1.274 150 2HB TRP 19 1HB TRP 19 7.780 -3.220 0.137 151 HD1 TRP 19 HD TRP 19 7.532 -5.475 3.309 152 HE1 TRP 19 1HE TRP 19 5.658 -4.528 4.795 153 HE3 TRP 19 3HE TRP 19 6.226 -1.424 0.477 154 HZ2 TRP 19 2HZ TRP 19 3.858 -2.354 4.764 155 HZ3 TRP 19 3HZ TRP 19 4.420 0.041 1.277 156 HH2 TRP 19 HH TRP 19 3.260 -0.416 3.376 157 H GLN 20 H GLN 20 7.184 -5.699 -2.060 158 HA GLN 20 HA GLN 20 9.800 -5.780 -3.335 159 1HB GLN 20 2HB GLN 20 7.026 -6.581 -4.132 160 2HB GLN 20 1HB GLN 20 8.216 -6.259 -5.381 161 1HG GLN 20 2HG GLN 20 8.006 -8.647 -4.796 162 2HG GLN 20 1HG GLN 20 9.632 -8.009 -4.575 163 1HE2 GLN 20 1HE2 GLN 20 6.748 -9.122 -2.950 164 2HE2 GLN 20 2HE2 GLN 20 7.476 -9.350 -1.399 165 HA PRO 21 HA PRO 21 9.173 -1.531 -4.655 166 1HB PRO 21 2HB PRO 21 11.541 -1.296 -5.964 167 2HB PRO 21 1HB PRO 21 11.395 -1.165 -4.208 168 1HG PRO 21 2HG PRO 21 12.304 -3.471 -5.865 169 2HG PRO 21 1HG PRO 21 12.934 -2.888 -4.316 170 1HD PRO 21 2HD PRO 21 11.268 -5.043 -4.563 171 2HD PRO 21 1HD PRO 21 11.356 -4.030 -3.109 172 H VAL 22 H VAL 22 7.584 -1.619 -6.156 173 HA VAL 22 HA VAL 22 8.009 -3.050 -8.641 174 HB VAL 22 HB VAL 22 5.664 -2.358 -9.181 175 1HG1 VAL 22 1HG1 VAL 22 4.633 -3.880 -7.516 176 2HG1 VAL 22 2HG1 VAL 22 6.145 -3.862 -6.609 177 3HG1 VAL 22 3HG1 VAL 22 6.104 -4.535 -8.237 178 1HG2 VAL 22 1HG2 VAL 22 5.723 -1.294 -6.358 179 2HG2 VAL 22 2HG2 VAL 22 4.279 -1.481 -7.349 180 3HG2 VAL 22 3HG2 VAL 22 5.535 -0.340 -7.830 181 H GLU 23 H GLU 23 6.990 -1.858 -10.629 182 HA GLU 23 HA GLU 23 7.993 0.861 -10.860 183 1HB GLU 23 2HB GLU 23 9.164 -1.393 -12.508 184 2HB GLU 23 1HB GLU 23 9.490 0.316 -12.742 185 1HG GLU 23 2HG GLU 23 10.487 0.385 -10.475 186 2HG GLU 23 1HG GLU 23 10.255 -1.357 -10.360 187 H ALA 24 H ALA 24 7.532 1.754 -13.033 188 HA ALA 24 HA ALA 24 4.916 0.924 -13.887 189 1HB ALA 24 1HB ALA 24 5.497 3.287 -13.790 190 2HB ALA 24 2HB ALA 24 5.051 2.821 -15.432 191 3HB ALA 24 3HB ALA 24 6.749 3.041 -15.007 192 H SER 25 H SER 25 8.171 0.436 -14.951 193 HA SER 25 HA SER 25 7.680 -0.208 -17.650 194 1HB SER 25 2HB SER 25 9.940 -1.241 -15.923 195 2HB SER 25 1HB SER 25 9.942 -1.016 -17.674 196 HG SER 25 HG SER 25 10.828 0.694 -16.010 197 H THR 26 H THR 26 7.090 -1.965 -14.756 198 HA THR 26 HA THR 26 6.415 -4.334 -16.340 199 HB THR 26 HB THR 26 8.664 -4.735 -15.441 200 HG1 THR 26 1HG THR 26 6.597 -6.253 -14.190 201 1HG2 THR 26 1HG2 THR 26 8.566 -3.293 -13.473 202 2HG2 THR 26 2HG2 THR 26 9.027 -4.934 -13.021 203 3HG2 THR 26 3HG2 THR 26 7.381 -4.368 -12.729 204 H VAL 27 H VAL 27 4.999 -2.111 -14.834 205 HA VAL 27 HA VAL 27 3.927 -3.191 -12.454 206 HB VAL 27 HB VAL 27 3.956 -0.776 -12.883 207 1HG1 VAL 27 1HG1 VAL 27 1.796 -1.335 -14.910 208 2HG1 VAL 27 2HG1 VAL 27 3.420 -0.730 -15.248 209 3HG1 VAL 27 3HG1 VAL 27 2.280 0.262 -14.337 210 1HG2 VAL 27 1HG2 VAL 27 1.725 -0.255 -12.040 211 2HG2 VAL 27 2HG2 VAL 27 2.418 -1.655 -11.224 212 3HG2 VAL 27 3HG2 VAL 27 1.184 -1.876 -12.465 213 H ASP 28 H ASP 28 2.706 -3.109 -15.784 214 HA ASP 28 HA ASP 28 0.158 -4.155 -15.291 215 1HB ASP 28 2HB ASP 28 1.899 -4.440 -17.748 216 2HB ASP 28 1HB ASP 28 0.182 -4.821 -17.685 217 H ASP 29 H ASP 29 3.215 -5.757 -16.014 218 HA ASP 29 HA ASP 29 2.212 -8.382 -16.206 219 1HB ASP 29 2HB ASP 29 4.439 -7.731 -17.043 220 2HB ASP 29 1HB ASP 29 4.978 -7.449 -15.391 221 H TRP 30 H TRP 30 3.643 -6.595 -13.495 222 HA TRP 30 HA TRP 30 3.648 -8.690 -11.635 223 1HB TRP 30 2HB TRP 30 4.838 -6.481 -11.399 224 2HB TRP 30 1HB TRP 30 3.286 -5.753 -11.001 225 HD1 TRP 30 HD TRP 30 5.949 -8.099 -9.577 226 HE1 TRP 30 1HE TRP 30 5.576 -8.340 -7.045 227 HE3 TRP 30 3HE TRP 30 1.491 -5.624 -9.168 228 HZ2 TRP 30 2HZ TRP 30 3.649 -7.579 -5.121 229 HZ3 TRP 30 3HZ TRP 30 0.451 -5.425 -6.946 230 HH2 TRP 30 HH TRP 30 1.507 -6.383 -4.965 231 H ILE 31 H ILE 31 1.235 -6.151 -12.218 232 HA ILE 31 HA ILE 31 -0.595 -6.862 -10.231 233 HB ILE 31 HB ILE 31 -1.155 -5.663 -12.948 234 1HG1 ILE 31 2HG1 ILE 31 -0.851 -4.246 -10.298 235 2HG1 ILE 31 1HG1 ILE 31 0.481 -4.458 -11.433 236 1HG2 ILE 31 1HG2 ILE 31 -3.184 -6.553 -11.947 237 2HG2 ILE 31 2HG2 ILE 31 -3.209 -4.790 -11.929 238 3HG2 ILE 31 3HG2 ILE 31 -2.851 -5.682 -10.449 239 1HD1 ILE 31 1HD1 ILE 31 -2.090 -2.982 -11.961 240 2HD1 ILE 31 2HD1 ILE 31 -0.777 -3.210 -13.116 241 3HD1 ILE 31 3HD1 ILE 31 -0.510 -2.266 -11.653 242 H LYS 32 H LYS 32 -0.333 -7.934 -13.590 243 HA LYS 32 HA LYS 32 -2.654 -9.554 -13.589 244 1HB LYS 32 2HB LYS 32 -1.443 -8.650 -15.600 245 2HB LYS 32 1HB LYS 32 -0.187 -9.845 -15.310 246 1HG LYS 32 2HG LYS 32 -1.830 -10.497 -17.038 247 2HG LYS 32 1HG LYS 32 -1.721 -11.641 -15.708 248 1HD LYS 32 2HD LYS 32 -3.683 -10.769 -14.748 249 2HD LYS 32 1HD LYS 32 -3.756 -9.443 -15.894 250 1HE LYS 32 2HE LYS 32 -4.054 -11.104 -17.709 251 2HE LYS 32 1HE LYS 32 -4.111 -12.378 -16.492 252 1HZ LYS 32 1HZ LYS 32 -6.326 -11.633 -17.221 253 2HZ LYS 32 2HZ LYS 32 -5.998 -10.084 -16.621 254 3HZ LYS 32 3HZ LYS 32 -6.087 -11.405 -15.560 255 H ARG 33 H ARG 33 0.708 -10.142 -12.957 256 HA ARG 33 HA ARG 33 0.699 -12.950 -12.844 257 1HB ARG 33 2HB ARG 33 2.616 -11.111 -12.875 258 2HB ARG 33 1HB ARG 33 2.556 -11.357 -11.140 259 1HG ARG 33 2HG ARG 33 2.929 -13.616 -13.081 260 2HG ARG 33 1HG ARG 33 4.274 -12.693 -12.409 261 1HD ARG 33 2HD ARG 33 3.475 -13.299 -10.139 262 2HD ARG 33 1HD ARG 33 2.245 -14.319 -10.886 263 HE ARG 33 HE ARG 33 4.613 -15.166 -11.970 264 1HH1 ARG 33 1HH1 ARG 33 3.329 -14.857 -8.727 265 2HH1 ARG 33 2HH1 ARG 33 4.309 -16.143 -8.091 266 1HH2 ARG 33 1HH2 ARG 33 5.877 -16.864 -11.140 267 2HH2 ARG 33 2HH2 ARG 33 5.727 -17.315 -9.462 268 H VAL 34 H VAL 34 0.358 -10.514 -10.285 269 HA VAL 34 HA VAL 34 0.045 -12.565 -8.275 270 HB VAL 34 HB VAL 34 -0.257 -10.751 -6.669 271 1HG1 VAL 34 1HG1 VAL 34 1.952 -9.711 -6.901 272 2HG1 VAL 34 2HG1 VAL 34 2.046 -10.306 -8.559 273 3HG1 VAL 34 3HG1 VAL 34 1.995 -11.446 -7.214 274 1HG2 VAL 34 1HG2 VAL 34 -0.082 -8.903 -9.049 275 2HG2 VAL 34 2HG2 VAL 34 -0.057 -8.402 -7.358 276 3HG2 VAL 34 3HG2 VAL 34 -1.497 -9.165 -8.031 277 H GLY 35 H GLY 35 -2.023 -10.255 -9.948 278 1HA GLY 35 2HA GLY 35 -4.283 -10.427 -10.430 279 2HA GLY 35 1HA GLY 35 -4.331 -11.936 -9.535 280 H ASP 36 H ASP 36 -3.335 -11.007 -7.119 281 HA ASP 36 HA ASP 36 -5.333 -9.050 -6.211 282 1HB ASP 36 2HB ASP 36 -6.127 -11.258 -5.580 283 2HB ASP 36 1HB ASP 36 -4.552 -11.679 -4.922 284 H GLY 37 H GLY 37 -4.046 -7.316 -5.819 285 1HA GLY 37 2HA GLY 37 -2.089 -7.456 -3.730 286 2HA GLY 37 1HA GLY 37 -1.351 -7.272 -5.315 287 H VAL 38 H VAL 38 -0.564 -5.249 -4.279 288 HA VAL 38 HA VAL 38 -2.248 -3.052 -5.065 289 HB VAL 38 HB VAL 38 -3.166 -3.264 -2.909 290 1HG1 VAL 38 1HG1 VAL 38 -1.826 -3.376 -0.845 291 2HG1 VAL 38 2HG1 VAL 38 -0.360 -3.457 -1.822 292 3HG1 VAL 38 3HG1 VAL 38 -1.545 -4.762 -1.900 293 1HG2 VAL 38 1HG2 VAL 38 -1.036 -1.144 -2.757 294 2HG2 VAL 38 2HG2 VAL 38 -2.489 -1.214 -1.762 295 3HG2 VAL 38 3HG2 VAL 38 -2.623 -0.973 -3.503 296 H ILE 39 H ILE 39 -1.144 -1.262 -5.569 297 HA ILE 39 HA ILE 39 1.775 -1.293 -5.142 298 HB ILE 39 HB ILE 39 0.183 0.010 -7.366 299 1HG1 ILE 39 2HG1 ILE 39 1.818 -1.252 -8.821 300 2HG1 ILE 39 1HG1 ILE 39 2.357 -2.109 -7.382 301 1HG2 ILE 39 1HG2 ILE 39 2.311 0.917 -8.192 302 2HG2 ILE 39 2HG2 ILE 39 3.102 0.353 -6.719 303 3HG2 ILE 39 3HG2 ILE 39 1.845 1.588 -6.630 304 1HD1 ILE 39 1HD1 ILE 39 0.785 -3.446 -8.628 305 2HD1 ILE 39 2HD1 ILE 39 -0.407 -2.146 -8.590 306 3HD1 ILE 39 3HD1 ILE 39 0.055 -2.964 -7.094 307 H LEU 40 H LEU 40 2.496 0.143 -3.715 308 HA LEU 40 HA LEU 40 0.822 2.393 -2.904 309 1HB LEU 40 2HB LEU 40 2.277 0.724 -1.433 310 2HB LEU 40 1HB LEU 40 3.551 1.866 -1.801 311 HG LEU 40 HG LEU 40 0.952 2.661 -0.494 312 1HD1 LEU 40 1HD1 LEU 40 2.113 1.062 0.924 313 2HD1 LEU 40 2HD1 LEU 40 2.196 2.686 1.607 314 3HD1 LEU 40 3HD1 LEU 40 3.600 2.002 0.788 315 1HD2 LEU 40 1HD2 LEU 40 3.616 4.057 -0.678 316 2HD2 LEU 40 2HD2 LEU 40 2.181 4.654 0.155 317 3HD2 LEU 40 3HD2 LEU 40 2.169 4.473 -1.600 318 H LEU 41 H LEU 41 1.112 4.401 -3.694 319 HA LEU 41 HA LEU 41 3.457 4.869 -5.394 320 1HB LEU 41 2HB LEU 41 0.702 6.050 -5.324 321 2HB LEU 41 1HB LEU 41 2.012 6.909 -6.105 322 HG LEU 41 HG LEU 41 2.351 4.914 -7.587 323 1HD1 LEU 41 1HD1 LEU 41 0.595 3.260 -7.750 324 2HD1 LEU 41 2HD1 LEU 41 -0.282 4.018 -6.422 325 3HD1 LEU 41 3HD1 LEU 41 1.277 3.247 -6.123 326 1HD2 LEU 41 1HD2 LEU 41 1.135 6.854 -8.370 327 2HD2 LEU 41 2HD2 LEU 41 -0.350 6.255 -7.629 328 3HD2 LEU 41 3HD2 LEU 41 0.375 5.384 -8.982 329 H SER 42 H SER 42 5.072 5.852 -4.455 330 HA SER 42 HA SER 42 6.326 7.463 -3.514 331 1HB SER 42 2HB SER 42 3.793 9.091 -3.718 332 2HB SER 42 1HB SER 42 5.380 9.750 -3.327 333 HG SER 42 HG SER 42 5.637 8.272 -5.512 334 H SER 43 H SER 43 7.101 7.824 -1.550 335 HA SER 43 HA SER 43 5.342 7.608 0.758 336 1HB SER 43 2HB SER 43 8.326 8.147 0.684 337 2HB SER 43 1HB SER 43 7.374 7.643 2.081 338 HG SER 43 HG SER 43 7.053 5.953 -0.017 339 H ASP 44 H ASP 44 4.099 9.425 0.782 340 HA ASP 44 HA ASP 44 4.998 11.981 -0.048 341 1HB ASP 44 2HB ASP 44 2.585 11.067 0.063 342 2HB ASP 44 1HB ASP 44 2.629 11.537 1.759 343 HA PRO 45 HA PRO 45 7.210 12.913 3.684 344 1HB PRO 45 2HB PRO 45 7.573 15.577 2.523 345 2HB PRO 45 1HB PRO 45 8.783 14.342 2.887 346 1HG PRO 45 2HG PRO 45 8.103 14.992 0.361 347 2HG PRO 45 1HG PRO 45 8.576 13.346 0.818 348 1HD PRO 45 2HD PRO 45 5.837 14.478 0.377 349 2HD PRO 45 1HD PRO 45 6.501 12.907 -0.125 350 H ARG 46 H ARG 46 4.728 15.033 2.337 351 HA ARG 46 HA ARG 46 3.428 15.586 4.721 352 1HB ARG 46 2HB ARG 46 4.126 17.914 5.189 353 2HB ARG 46 1HB ARG 46 5.424 16.763 5.460 354 1HG ARG 46 2HG ARG 46 6.143 17.385 3.052 355 2HG ARG 46 1HG ARG 46 5.119 18.801 3.300 356 1HD ARG 46 2HD ARG 46 7.336 19.410 3.906 357 2HD ARG 46 1HD ARG 46 6.410 19.246 5.399 358 HE ARG 46 HE ARG 46 7.474 17.038 5.664 359 1HH1 ARG 46 1HH1 ARG 46 8.954 19.402 3.551 360 2HH1 ARG 46 2HH1 ARG 46 10.543 18.705 3.674 361 1HH2 ARG 46 1HH2 ARG 46 9.571 16.103 5.823 362 2HH2 ARG 46 2HH2 ARG 46 10.898 16.836 4.950 363 H ARG 47 H ARG 47 1.517 15.700 3.772 364 HA ARG 47 HA ARG 47 1.229 17.368 1.374 365 1HB ARG 47 2HB ARG 47 0.562 14.968 1.266 366 2HB ARG 47 1HB ARG 47 -0.667 15.293 2.478 367 1HG ARG 47 2HG ARG 47 -1.828 16.769 0.984 368 2HG ARG 47 1HG ARG 47 -0.539 16.636 -0.214 369 1HD ARG 47 2HD ARG 47 -2.384 14.443 0.723 370 2HD ARG 47 1HD ARG 47 -2.373 15.214 -0.863 371 HE ARG 47 HE ARG 47 0.168 14.106 -0.338 372 1HH1 ARG 47 1HH1 ARG 47 -3.117 13.138 -1.140 373 2HH1 ARG 47 2HH1 ARG 47 -2.617 11.633 -1.854 374 1HH2 ARG 47 1HH2 ARG 47 0.818 12.171 -1.259 375 2HH2 ARG 47 2HH2 ARG 47 -0.369 11.065 -1.911 376 H THR 48 H THR 48 0.061 16.884 4.622 377 HA THR 48 HA THR 48 -0.937 19.541 4.823 378 HB THR 48 HB THR 48 -2.770 18.397 3.506 379 HG1 THR 48 1HG THR 48 -4.465 19.179 4.906 380 1HG2 THR 48 1HG2 THR 48 -3.178 16.856 6.069 381 2HG2 THR 48 2HG2 THR 48 -2.619 16.186 4.537 382 3HG2 THR 48 3HG2 THR 48 -4.250 16.840 4.669 383 HA PRO 49 HA PRO 49 -0.247 18.481 9.136 384 1HB PRO 49 2HB PRO 49 -2.475 20.267 9.875 385 2HB PRO 49 1HB PRO 49 -0.761 20.371 10.291 386 1HG PRO 49 2HG PRO 49 -1.866 22.076 8.551 387 2HG PRO 49 1HG PRO 49 -0.214 21.470 8.328 388 1HD PRO 49 2HD PRO 49 -2.750 20.590 6.990 389 2HD PRO 49 1HD PRO 49 -1.148 20.883 6.280 390 H GLU 50 H GLU 50 -1.932 16.675 7.769 391 HA GLU 50 HA GLU 50 -3.404 15.615 10.020 392 1HB GLU 50 2HB GLU 50 -5.092 16.990 8.813 393 2HB GLU 50 1HB GLU 50 -4.785 16.051 7.359 394 1HG GLU 50 2HG GLU 50 -6.771 15.212 8.351 395 2HG GLU 50 1HG GLU 50 -5.504 14.014 8.609 396 H VAL 51 H VAL 51 -2.002 13.928 10.059 397 HA VAL 51 HA VAL 51 -1.046 11.947 9.553 398 HB VAL 51 HB VAL 51 -3.283 11.654 7.544 399 1HG1 VAL 51 1HG1 VAL 51 -2.946 9.248 7.869 400 2HG1 VAL 51 2HG1 VAL 51 -1.587 9.586 8.942 401 3HG1 VAL 51 3HG1 VAL 51 -1.493 10.026 7.236 402 1HG2 VAL 51 1HG2 VAL 51 -4.160 12.175 9.764 403 2HG2 VAL 51 2HG2 VAL 51 -3.195 10.870 10.458 404 3HG2 VAL 51 3HG2 VAL 51 -4.496 10.498 9.328 405 H SER 52 H SER 52 0.845 12.836 8.742 406 HA SER 52 HA SER 52 1.390 12.065 6.028 407 1HB SER 52 2HB SER 52 1.779 14.952 6.871 408 2HB SER 52 1HB SER 52 2.434 14.244 5.398 409 HG SER 52 HG SER 52 -0.238 13.779 5.641 410 H ASP 53 H ASP 53 2.571 10.549 7.325 411 HA ASP 53 HA ASP 53 5.260 11.268 7.824 412 1HB ASP 53 2HB ASP 53 5.239 10.715 10.286 413 2HB ASP 53 1HB ASP 53 4.510 12.255 9.856 414 H ASN 54 H ASN 54 5.248 9.128 10.036 415 HA ASN 54 HA ASN 54 6.384 7.118 8.568 416 1HB ASN 54 2HB ASN 54 4.909 6.756 11.184 417 2HB ASN 54 1HB ASN 54 6.159 5.699 10.540 418 1HD2 ASN 54 1HD2 ASN 54 6.047 7.167 13.053 419 2HD2 ASN 54 2HD2 ASN 54 7.452 8.172 13.087 420 HA PRO 55 HA PRO 55 2.807 5.363 6.561 421 1HB PRO 55 2HB PRO 55 4.638 3.563 5.219 422 2HB PRO 55 1HB PRO 55 3.767 4.946 4.557 423 1HG PRO 55 2HG PRO 55 6.476 4.890 4.876 424 2HG PRO 55 1HG PRO 55 5.517 6.379 4.907 425 1HD PRO 55 2HD PRO 55 6.604 4.776 7.192 426 2HD PRO 55 1HD PRO 55 6.553 6.540 6.976 427 H VAL 56 H VAL 56 3.296 4.349 9.163 428 HA VAL 56 HA VAL 56 3.674 1.502 9.070 429 HB VAL 56 HB VAL 56 2.511 3.153 11.323 430 1HG1 VAL 56 1HG1 VAL 56 2.154 0.769 11.600 431 2HG1 VAL 56 2HG1 VAL 56 3.339 1.360 12.764 432 3HG1 VAL 56 3HG1 VAL 56 3.871 0.464 11.340 433 1HG2 VAL 56 1HG2 VAL 56 4.796 3.245 12.225 434 2HG2 VAL 56 2HG2 VAL 56 4.657 4.076 10.675 435 3HG2 VAL 56 3HG2 VAL 56 5.394 2.477 10.754 436 H MET 57 H MET 57 1.102 3.570 8.411 437 HA MET 57 HA MET 57 -1.149 2.316 9.420 438 1HB MET 57 2HB MET 57 -1.166 4.527 8.350 439 2HB MET 57 1HB MET 57 -0.859 3.777 6.791 440 1HG MET 57 2HG MET 57 -3.004 2.605 6.937 441 2HG MET 57 1HG MET 57 -3.314 3.385 8.487 442 1HE MET 57 1HE MET 57 -2.165 6.312 7.998 443 2HE MET 57 2HE MET 57 -3.713 5.995 8.781 444 3HE MET 57 3HE MET 57 -3.617 7.149 7.452 445 H ILE 58 H ILE 58 0.539 1.668 6.353 446 HA ILE 58 HA ILE 58 -1.403 -0.119 5.351 447 HB ILE 58 HB ILE 58 1.519 0.188 4.630 448 1HG1 ILE 58 2HG1 ILE 58 0.365 1.048 2.467 449 2HG1 ILE 58 1HG1 ILE 58 -1.061 1.222 3.484 450 1HG2 ILE 58 1HG2 ILE 58 0.870 -2.076 4.100 451 2HG2 ILE 58 2HG2 ILE 58 1.008 -1.134 2.616 452 3HG2 ILE 58 3HG2 ILE 58 -0.583 -1.500 3.282 453 1HD1 ILE 58 1HD1 ILE 58 0.185 2.737 4.946 454 2HD1 ILE 58 2HD1 ILE 58 0.137 3.316 3.281 455 3HD1 ILE 58 3HD1 ILE 58 1.602 2.561 3.909 456 H ALA 59 H ALA 59 1.447 -0.600 7.364 457 HA ALA 59 HA ALA 59 1.534 -3.427 7.138 458 1HB ALA 59 1HB ALA 59 3.463 -2.104 7.856 459 2HB ALA 59 2HB ALA 59 3.054 -3.340 9.045 460 3HB ALA 59 3HB ALA 59 2.609 -1.658 9.333 461 H GLU 60 H GLU 60 -0.028 -1.232 9.420 462 HA GLU 60 HA GLU 60 -0.987 -3.290 11.157 463 1HB GLU 60 2HB GLU 60 -0.651 -0.856 11.768 464 2HB GLU 60 1HB GLU 60 -2.087 -0.493 10.825 465 1HG GLU 60 2HG GLU 60 -2.802 -0.588 13.048 466 2HG GLU 60 1HG GLU 60 -3.318 -2.109 12.325 467 H LEU 61 H LEU 61 -2.287 -1.476 8.436 468 HA LEU 61 HA LEU 61 -4.958 -2.290 8.503 469 1HB LEU 61 2HB LEU 61 -3.357 -0.738 6.879 470 2HB LEU 61 1HB LEU 61 -3.812 -2.051 5.818 471 HG LEU 61 HG LEU 61 -5.299 -0.143 5.555 472 1HD1 LEU 61 1HD1 LEU 61 -7.450 -1.288 5.916 473 2HD1 LEU 61 2HD1 LEU 61 -6.611 -2.517 6.863 474 3HD1 LEU 61 3HD1 LEU 61 -6.242 -2.319 5.149 475 1HD2 LEU 61 1HD2 LEU 61 -5.958 -0.564 8.467 476 2HD2 LEU 61 2HD2 LEU 61 -6.797 0.537 7.372 477 3HD2 LEU 61 3HD2 LEU 61 -5.104 0.816 7.776 478 H LEU 62 H LEU 62 -2.105 -3.896 7.269 479 HA LEU 62 HA LEU 62 -3.270 -5.787 5.590 480 1HB LEU 62 2HB LEU 62 -0.872 -5.304 5.667 481 2HB LEU 62 1HB LEU 62 -0.768 -6.022 7.263 482 HG LEU 62 HG LEU 62 -1.416 -8.210 6.282 483 1HD1 LEU 62 1HD1 LEU 62 -2.631 -7.361 4.329 484 2HD1 LEU 62 2HD1 LEU 62 -1.369 -8.507 3.870 485 3HD1 LEU 62 3HD1 LEU 62 -1.112 -6.776 3.645 486 1HD2 LEU 62 1HD2 LEU 62 0.729 -8.638 5.187 487 2HD2 LEU 62 2HD2 LEU 62 0.927 -7.659 6.642 488 3HD2 LEU 62 3HD2 LEU 62 1.005 -6.901 5.052 489 H ARG 63 H ARG 63 -2.619 -5.988 9.086 490 HA ARG 63 HA ARG 63 -3.323 -8.770 9.188 491 1HB ARG 63 2HB ARG 63 -2.966 -8.602 11.579 492 2HB ARG 63 1HB ARG 63 -1.659 -7.797 10.722 493 1HG ARG 63 2HG ARG 63 -2.724 -5.629 11.165 494 2HG ARG 63 1HG ARG 63 -3.999 -6.455 12.063 495 1HD ARG 63 2HD ARG 63 -2.329 -5.553 13.580 496 2HD ARG 63 1HD ARG 63 -2.332 -7.315 13.633 497 HE ARG 63 HE ARG 63 -0.406 -6.808 11.823 498 1HH1 ARG 63 1HH1 ARG 63 -1.020 -5.451 14.981 499 2HH1 ARG 63 2HH1 ARG 63 0.660 -5.236 15.371 500 1HH2 ARG 63 1HH2 ARG 63 1.797 -6.496 12.285 501 2HH2 ARG 63 2HH2 ARG 63 2.283 -5.813 13.811 502 H GLU 64 H GLU 64 -5.118 -5.884 9.241 503 HA GLU 64 HA GLU 64 -7.315 -7.144 10.723 504 1HB GLU 64 2HB GLU 64 -6.477 -4.874 11.407 505 2HB GLU 64 1HB GLU 64 -7.053 -4.258 9.866 506 1HG GLU 64 2HG GLU 64 -8.667 -3.732 11.528 507 2HG GLU 64 1HG GLU 64 -9.342 -4.989 10.495 508 H PHE 65 H PHE 65 -6.293 -7.046 7.648 509 HA PHE 65 HA PHE 65 -8.935 -6.565 6.467 510 1HB PHE 65 2HB PHE 65 -6.408 -5.871 5.578 511 2HB PHE 65 1HB PHE 65 -6.779 -7.302 4.623 512 HD1 PHE 65 1HD PHE 65 -9.408 -7.251 3.834 513 HD2 PHE 65 2HD PHE 65 -6.885 -3.901 4.534 514 HE1 PHE 65 1HE PHE 65 -10.806 -5.892 2.333 515 HE2 PHE 65 2HE PHE 65 -8.276 -2.533 3.038 516 HZ PHE 65 HZ PHE 65 -10.242 -3.529 1.937 517 HA PRO 66 HA PRO 66 -9.067 -11.085 6.453 518 1HB PRO 66 2HB PRO 66 -11.667 -11.354 6.948 519 2HB PRO 66 1HB PRO 66 -10.561 -10.799 8.211 520 1HG PRO 66 2HG PRO 66 -12.502 -9.241 6.572 521 2HG PRO 66 1HG PRO 66 -12.023 -9.017 8.262 522 1HD PRO 66 2HD PRO 66 -11.033 -7.598 6.038 523 2HD PRO 66 1HD PRO 66 -10.357 -7.591 7.678 524 H GLN 67 H GLN 67 -10.054 -8.875 4.197 525 HA GLN 67 HA GLN 67 -11.806 -10.652 2.693 526 1HB GLN 67 2HB GLN 67 -10.987 -7.785 2.228 527 2HB GLN 67 1HB GLN 67 -12.075 -8.681 1.179 528 1HG GLN 67 2HG GLN 67 -12.551 -8.039 4.082 529 2HG GLN 67 1HG GLN 67 -13.284 -7.220 2.704 530 1HE2 GLN 67 1HE2 GLN 67 -14.843 -8.295 1.488 531 2HE2 GLN 67 2HE2 GLN 67 -15.673 -9.685 2.087 532 H PHE 68 H PHE 68 -8.494 -9.815 2.753 533 HA PHE 68 HA PHE 68 -8.181 -10.883 0.038 534 1HB PHE 68 2HB PHE 68 -6.819 -8.428 1.142 535 2HB PHE 68 1HB PHE 68 -6.355 -9.229 -0.354 536 HD1 PHE 68 1HD PHE 68 -8.313 -6.695 1.065 537 HD2 PHE 68 2HD PHE 68 -8.290 -9.541 -2.095 538 HE1 PHE 68 1HE PHE 68 -9.972 -5.354 -0.148 539 HE2 PHE 68 2HE PHE 68 -9.949 -8.199 -3.320 540 HZ PHE 68 HZ PHE 68 -10.792 -6.103 -2.346 541 H ASP 69 H ASP 69 -6.037 -11.544 -0.504 542 HA ASP 69 HA ASP 69 -4.249 -12.212 1.739 543 1HB ASP 69 2HB ASP 69 -5.683 -14.177 0.788 544 2HB ASP 69 1HB ASP 69 -4.646 -14.052 -0.626 545 H TRP 70 H TRP 70 -4.234 -9.975 0.124 546 HA TRP 70 HA TRP 70 -2.861 -10.353 -2.335 547 1HB TRP 70 2HB TRP 70 -2.811 -7.818 -2.342 548 2HB TRP 70 1HB TRP 70 -4.390 -8.583 -2.318 549 HD1 TRP 70 HD TRP 70 -2.795 -8.521 1.083 550 HE1 TRP 70 1HE TRP 70 -3.909 -6.700 2.523 551 HE3 TRP 70 3HE TRP 70 -5.421 -6.098 -2.571 552 HZ2 TRP 70 2HZ TRP 70 -5.658 -4.510 2.147 553 HZ3 TRP 70 3HZ TRP 70 -6.784 -4.151 -1.947 554 HH2 TRP 70 HH TRP 70 -6.906 -3.374 0.355 555 H GLN 71 H GLN 71 -0.962 -9.149 -2.960 556 HA GLN 71 HA GLN 71 1.118 -9.214 -0.887 557 1HB GLN 71 2HB GLN 71 1.325 -9.206 -3.910 558 2HB GLN 71 1HB GLN 71 2.707 -9.143 -2.828 559 1HG GLN 71 2HG GLN 71 2.562 -11.372 -3.484 560 2HG GLN 71 1HG GLN 71 1.859 -11.341 -1.871 561 1HE2 GLN 71 1HE2 GLN 71 0.265 -10.260 -4.820 562 2HE2 GLN 71 2HE2 GLN 71 -0.962 -11.474 -4.810 563 H VAL 72 H VAL 72 1.886 -7.351 -0.120 564 HA VAL 72 HA VAL 72 0.985 -4.858 -1.292 565 HB VAL 72 HB VAL 72 2.638 -5.309 1.201 566 1HG1 VAL 72 1HG1 VAL 72 1.939 -3.029 1.791 567 2HG1 VAL 72 2HG1 VAL 72 1.137 -2.880 0.226 568 3HG1 VAL 72 3HG1 VAL 72 2.890 -3.060 0.306 569 1HG2 VAL 72 1HG2 VAL 72 0.456 -6.369 1.395 570 2HG2 VAL 72 2HG2 VAL 72 -0.329 -4.868 0.898 571 3HG2 VAL 72 3HG2 VAL 72 0.552 -4.941 2.425 572 H ALA 73 H ALA 73 2.205 -3.540 -2.497 573 HA ALA 73 HA ALA 73 5.118 -3.817 -2.402 574 1HB ALA 73 1HB ALA 73 3.498 -3.708 -4.945 575 2HB ALA 73 2HB ALA 73 4.342 -5.124 -4.318 576 3HB ALA 73 3HB ALA 73 5.258 -3.710 -4.836 577 H VAL 74 H VAL 74 6.229 -1.929 -3.338 578 HA VAL 74 HA VAL 74 4.594 0.492 -3.491 579 HB VAL 74 HB VAL 74 5.255 0.465 -1.174 580 1HG1 VAL 74 1HG1 VAL 74 7.120 -1.098 -1.336 581 2HG1 VAL 74 2HG1 VAL 74 7.586 0.362 -0.465 582 3HG1 VAL 74 3HG1 VAL 74 8.092 0.136 -2.138 583 1HG2 VAL 74 1HG2 VAL 74 7.019 2.379 -2.706 584 2HG2 VAL 74 2HG2 VAL 74 6.547 2.539 -1.015 585 3HG2 VAL 74 3HG2 VAL 74 5.327 2.644 -2.285 586 H ALA 75 H ALA 75 5.420 2.073 -4.818 587 HA ALA 75 HA ALA 75 7.616 1.168 -6.549 588 1HB ALA 75 1HB ALA 75 5.534 3.298 -7.030 589 2HB ALA 75 2HB ALA 75 5.449 1.634 -7.607 590 3HB ALA 75 3HB ALA 75 6.714 2.710 -8.202 591 H ASP 76 H ASP 76 8.109 2.361 -3.971 592 HA ASP 76 HA ASP 76 9.405 3.891 -2.929 593 1HB ASP 76 2HB ASP 76 11.058 3.026 -4.548 594 2HB ASP 76 1HB ASP 76 10.573 4.263 -5.700 595 H LEU 77 H LEU 77 10.003 6.011 -5.532 596 HA LEU 77 HA LEU 77 7.632 7.642 -4.991 597 1HB LEU 77 2HB LEU 77 10.483 8.589 -4.760 598 2HB LEU 77 1HB LEU 77 9.151 9.691 -5.034 599 HG LEU 77 HG LEU 77 8.176 8.567 -2.859 600 1HD1 LEU 77 1HD1 LEU 77 11.141 8.151 -2.510 601 2HD1 LEU 77 2HD1 LEU 77 9.925 6.881 -2.650 602 3HD1 LEU 77 3HD1 LEU 77 9.909 7.968 -1.261 603 1HD2 LEU 77 1HD2 LEU 77 9.258 10.323 -1.532 604 2HD2 LEU 77 2HD2 LEU 77 8.697 10.922 -3.092 605 3HD2 LEU 77 3HD2 LEU 77 10.410 10.593 -2.840 606 H GLU 78 H GLU 78 10.619 7.394 -6.907 607 HA GLU 78 HA GLU 78 9.890 9.059 -9.001 608 1HB GLU 78 2HB GLU 78 11.614 6.596 -9.235 609 2HB GLU 78 1HB GLU 78 11.691 8.051 -10.211 610 1HG GLU 78 2HG GLU 78 12.441 9.325 -8.278 611 2HG GLU 78 1HG GLU 78 12.357 7.872 -7.286 612 H GLN 79 H GLN 79 9.663 5.516 -8.814 613 HA GLN 79 HA GLN 79 8.463 5.188 -11.348 614 1HB GLN 79 2HB GLN 79 8.619 3.412 -8.921 615 2HB GLN 79 1HB GLN 79 7.841 2.901 -10.415 616 1HG GLN 79 2HG GLN 79 10.698 3.806 -10.185 617 2HG GLN 79 1HG GLN 79 10.166 2.125 -10.213 618 1HE2 GLN 79 1HE2 GLN 79 11.876 3.673 -12.045 619 2HE2 GLN 79 2HE2 GLN 79 11.153 3.504 -13.610 620 H SER 80 H SER 80 7.172 5.990 -8.240 621 HA SER 80 HA SER 80 4.526 5.127 -8.610 622 1HB SER 80 2HB SER 80 5.437 7.521 -7.014 623 2HB SER 80 1HB SER 80 4.001 6.531 -6.743 624 HG SER 80 HG SER 80 6.293 5.056 -6.777 625 H GLU 81 H GLU 81 6.190 8.115 -9.526 626 HA GLU 81 HA GLU 81 3.876 9.544 -10.313 627 1HB GLU 81 2HB GLU 81 6.016 10.662 -9.888 628 2HB GLU 81 1HB GLU 81 6.727 9.845 -11.274 629 1HG GLU 81 2HG GLU 81 5.220 11.002 -12.770 630 2HG GLU 81 1HG GLU 81 4.412 11.764 -11.403 631 H ALA 82 H ALA 82 6.084 7.392 -12.019 632 HA ALA 82 HA ALA 82 4.994 7.760 -14.595 633 1HB ALA 82 1HB ALA 82 6.174 5.702 -15.182 634 2HB ALA 82 2HB ALA 82 6.451 5.372 -13.470 635 3HB ALA 82 3HB ALA 82 7.195 6.778 -14.229 636 H ILE 83 H ILE 83 4.269 5.489 -11.988 637 HA ILE 83 HA ILE 83 2.332 3.987 -13.420 638 HB ILE 83 HB ILE 83 2.701 4.361 -10.439 639 1HG1 ILE 83 2HG1 ILE 83 3.573 2.126 -12.288 640 2HG1 ILE 83 1HG1 ILE 83 4.632 3.352 -11.595 641 1HG2 ILE 83 1HG2 ILE 83 1.371 2.308 -10.199 642 2HG2 ILE 83 2HG2 ILE 83 1.050 2.328 -11.934 643 3HG2 ILE 83 3HG2 ILE 83 0.440 3.627 -10.908 644 1HD1 ILE 83 1HD1 ILE 83 3.073 1.291 -10.048 645 2HD1 ILE 83 2HD1 ILE 83 4.158 2.503 -9.365 646 3HD1 ILE 83 3HD1 ILE 83 4.797 1.235 -10.410 647 H GLY 84 H GLY 84 2.145 6.766 -11.234 648 1HA GLY 84 2HA GLY 84 -0.664 6.953 -11.128 649 2HA GLY 84 1HA GLY 84 0.458 8.264 -10.803 650 H ASP 85 H ASP 85 1.637 8.029 -13.497 651 HA ASP 85 HA ASP 85 -0.116 9.842 -14.858 652 1HB ASP 85 2HB ASP 85 2.305 10.088 -15.025 653 2HB ASP 85 1HB ASP 85 2.441 8.497 -15.752 654 H ARG 86 H ARG 86 0.888 6.528 -15.230 655 HA ARG 86 HA ARG 86 0.132 5.858 -17.749 656 1HB ARG 86 2HB ARG 86 1.218 4.318 -16.175 657 2HB ARG 86 1HB ARG 86 -0.286 4.165 -15.280 658 1HG ARG 86 2HG ARG 86 0.101 2.249 -16.746 659 2HG ARG 86 1HG ARG 86 -1.357 3.134 -17.200 660 1HD ARG 86 2HD ARG 86 0.023 4.346 -18.908 661 2HD ARG 86 1HD ARG 86 1.341 3.238 -18.539 662 HE ARG 86 HE ARG 86 -0.507 1.479 -19.162 663 1HH1 ARG 86 1HH1 ARG 86 0.143 4.561 -20.700 664 2HH1 ARG 86 2HH1 ARG 86 -0.399 4.045 -22.270 665 1HH2 ARG 86 1HH2 ARG 86 -1.206 0.784 -21.234 666 2HH2 ARG 86 2HH2 ARG 86 -1.141 1.890 -22.573 667 H PHE 87 H PHE 87 -2.038 5.868 -14.926 668 HA PHE 87 HA PHE 87 -4.262 5.803 -16.856 669 1HB PHE 87 2HB PHE 87 -5.483 4.740 -14.715 670 2HB PHE 87 1HB PHE 87 -4.698 3.774 -15.956 671 HD1 PHE 87 1HD PHE 87 -4.167 5.295 -12.616 672 HD2 PHE 87 2HD PHE 87 -2.951 2.345 -15.425 673 HE1 PHE 87 1HE PHE 87 -2.736 4.258 -10.904 674 HE2 PHE 87 2HE PHE 87 -1.520 1.300 -13.720 675 HZ PHE 87 HZ PHE 87 -1.411 2.256 -11.456 676 H ASN 88 H ASN 88 -2.732 7.846 -15.097 677 HA ASN 88 HA ASN 88 -3.169 9.869 -14.216 678 1HB ASN 88 2HB ASN 88 -4.435 10.183 -16.286 679 2HB ASN 88 1HB ASN 88 -5.870 9.506 -15.522 680 1HD2 ASN 88 1HD2 ASN 88 -7.021 11.400 -15.897 681 2HD2 ASN 88 2HD2 ASN 88 -6.757 12.830 -14.967 682 H VAL 89 H VAL 89 -3.006 8.886 -12.123 683 HA VAL 89 HA VAL 89 -5.474 8.523 -10.625 684 HB VAL 89 HB VAL 89 -2.717 8.714 -9.416 685 1HG1 VAL 89 1HG1 VAL 89 -4.561 8.677 -7.840 686 2HG1 VAL 89 2HG1 VAL 89 -3.680 7.150 -7.768 687 3HG1 VAL 89 3HG1 VAL 89 -5.222 7.237 -8.616 688 1HG2 VAL 89 1HG2 VAL 89 -2.577 7.127 -11.266 689 2HG2 VAL 89 2HG2 VAL 89 -3.986 6.269 -10.642 690 3HG2 VAL 89 3HG2 VAL 89 -2.487 6.294 -9.713 691 H ARG 90 H ARG 90 -5.407 11.013 -11.769 692 HA ARG 90 HA ARG 90 -5.774 13.213 -11.340 693 1HB ARG 90 2HB ARG 90 -5.744 12.391 -8.427 694 2HB ARG 90 1HB ARG 90 -6.411 13.880 -9.082 695 1HG ARG 90 2HG ARG 90 -7.421 11.119 -9.741 696 2HG ARG 90 1HG ARG 90 -8.117 12.184 -8.517 697 1HD ARG 90 2HD ARG 90 -8.770 13.776 -10.145 698 2HD ARG 90 1HD ARG 90 -7.807 12.991 -11.397 699 HE ARG 90 HE ARG 90 -9.465 11.031 -10.853 700 1HH1 ARG 90 1HH1 ARG 90 -10.217 14.449 -11.062 701 2HH1 ARG 90 2HH1 ARG 90 -11.815 14.188 -11.696 702 1HH2 ARG 90 1HH2 ARG 90 -11.550 10.690 -11.687 703 2HH2 ARG 90 2HH2 ARG 90 -12.568 12.046 -12.049 704 H ARG 91 H ARG 91 -3.016 11.852 -11.063 705 HA ARG 91 HA ARG 91 -0.858 12.386 -10.712 706 1HB ARG 91 2HB ARG 91 -1.952 15.202 -10.648 707 2HB ARG 91 1HB ARG 91 -0.238 14.810 -10.651 708 1HG ARG 91 2HG ARG 91 -0.625 13.596 -12.815 709 2HG ARG 91 1HG ARG 91 -2.253 14.275 -12.822 710 1HD ARG 91 2HD ARG 91 0.322 15.845 -12.769 711 2HD ARG 91 1HD ARG 91 -0.711 15.608 -14.178 712 HE ARG 91 HE ARG 91 -2.357 16.717 -12.297 713 1HH1 ARG 91 1HH1 ARG 91 0.678 17.648 -13.796 714 2HH1 ARG 91 2HH1 ARG 91 0.377 19.358 -13.632 715 1HH2 ARG 91 1HH2 ARG 91 -2.764 18.932 -12.097 716 2HH2 ARG 91 2HH2 ARG 91 -1.597 20.093 -12.668 717 H PHE 92 H PHE 92 -2.762 11.933 -8.421 718 HA PHE 92 HA PHE 92 -1.113 13.149 -6.307 719 1HB PHE 92 2HB PHE 92 -3.976 12.214 -6.303 720 2HB PHE 92 1HB PHE 92 -3.083 12.482 -4.811 721 HD1 PHE 92 1HD PHE 92 -5.231 13.946 -7.149 722 HD2 PHE 92 2HD PHE 92 -1.887 14.825 -4.667 723 HE1 PHE 92 1HE PHE 92 -5.802 16.337 -7.231 724 HE2 PHE 92 2HE PHE 92 -2.453 17.216 -4.740 725 HZ PHE 92 HZ PHE 92 -4.414 17.978 -6.025 726 HA PRO 93 HA PRO 93 0.449 9.037 -5.568 727 1HB PRO 93 2HB PRO 93 1.428 10.199 -3.046 728 2HB PRO 93 1HB PRO 93 2.345 9.506 -4.384 729 1HG PRO 93 2HG PRO 93 2.348 12.145 -3.878 730 2HG PRO 93 1HG PRO 93 2.437 11.508 -5.532 731 1HD PRO 93 2HD PRO 93 0.088 12.639 -4.057 732 2HD PRO 93 1HD PRO 93 0.582 12.882 -5.746 733 H ALA 94 H ALA 94 -0.688 7.396 -4.735 734 HA ALA 94 HA ALA 94 -1.821 7.539 -2.083 735 1HB ALA 94 1HB ALA 94 -3.549 8.612 -3.462 736 2HB ALA 94 2HB ALA 94 -4.108 7.094 -2.763 737 3HB ALA 94 3HB ALA 94 -3.643 7.164 -4.463 738 H THR 95 H THR 95 -3.435 5.374 -2.085 739 HA THR 95 HA THR 95 -1.625 3.211 -2.937 740 HB THR 95 HB THR 95 -3.709 3.061 -0.750 741 HG1 THR 95 1HG THR 95 -1.127 4.123 -0.750 742 1HG2 THR 95 1HG2 THR 95 -1.249 1.407 -1.333 743 2HG2 THR 95 2HG2 THR 95 -2.912 0.919 -1.656 744 3HG2 THR 95 3HG2 THR 95 -2.369 1.157 0.005 745 H LEU 96 H LEU 96 -2.399 2.143 -4.674 746 HA LEU 96 HA LEU 96 -5.287 2.199 -5.136 747 1HB LEU 96 2HB LEU 96 -2.989 1.698 -7.023 748 2HB LEU 96 1HB LEU 96 -4.673 1.533 -7.466 749 HG LEU 96 HG LEU 96 -4.867 3.996 -6.676 750 1HD1 LEU 96 1HD1 LEU 96 -2.672 4.179 -5.680 751 2HD1 LEU 96 2HD1 LEU 96 -2.842 5.307 -7.025 752 3HD1 LEU 96 3HD1 LEU 96 -1.918 3.819 -7.233 753 1HD2 LEU 96 1HD2 LEU 96 -4.289 4.772 -8.924 754 2HD2 LEU 96 2HD2 LEU 96 -5.204 3.266 -8.964 755 3HD2 LEU 96 3HD2 LEU 96 -3.461 3.247 -9.233 756 H VAL 97 H VAL 97 -6.458 0.439 -4.982 757 HA VAL 97 HA VAL 97 -5.235 -2.091 -4.326 758 HB VAL 97 HB VAL 97 -8.134 -1.313 -4.701 759 1HG1 VAL 97 1HG1 VAL 97 -6.947 -3.909 -3.730 760 2HG1 VAL 97 2HG1 VAL 97 -7.916 -3.665 -5.182 761 3HG1 VAL 97 3HG1 VAL 97 -8.649 -3.467 -3.591 762 1HG2 VAL 97 1HG2 VAL 97 -6.511 -1.843 -2.215 763 2HG2 VAL 97 2HG2 VAL 97 -8.240 -1.489 -2.259 764 3HG2 VAL 97 3HG2 VAL 97 -7.074 -0.268 -2.775 765 H PHE 98 H PHE 98 -4.789 -3.689 -5.694 766 HA PHE 98 HA PHE 98 -5.988 -3.569 -8.377 767 1HB PHE 98 2HB PHE 98 -3.168 -4.275 -7.581 768 2HB PHE 98 1HB PHE 98 -3.849 -4.720 -9.140 769 HD1 PHE 98 1HD PHE 98 -2.713 -1.940 -7.040 770 HD2 PHE 98 2HD PHE 98 -4.256 -3.085 -10.831 771 HE1 PHE 98 1HE PHE 98 -2.102 0.264 -7.951 772 HE2 PHE 98 2HE PHE 98 -3.643 -0.891 -11.742 773 HZ PHE 98 HZ PHE 98 -2.574 0.791 -10.314 774 H THR 99 H THR 99 -7.546 -5.036 -8.157 775 HA THR 99 HA THR 99 -6.716 -7.792 -7.660 776 HB THR 99 HB THR 99 -8.915 -8.248 -6.571 777 HG1 THR 99 1HG THR 99 -9.761 -6.070 -5.642 778 1HG2 THR 99 1HG2 THR 99 -6.935 -7.903 -5.192 779 2HG2 THR 99 2HG2 THR 99 -8.373 -7.264 -4.397 780 3HG2 THR 99 3HG2 THR 99 -7.236 -6.165 -5.178 781 H ASP 100 H ASP 100 -8.540 -9.288 -8.543 782 HA ASP 100 HA ASP 100 -9.785 -10.011 -10.331 783 1HB ASP 100 2HB ASP 100 -10.581 -7.291 -10.035 784 2HB ASP 100 1HB ASP 100 -10.315 -7.565 -11.749 785 H GLY 101 H GLY 101 -6.869 -8.845 -10.371 786 1HA GLY 101 2HA GLY 101 -5.186 -8.402 -11.872 787 2HA GLY 101 1HA GLY 101 -6.136 -9.291 -13.059 788 H LYS 102 H LYS 102 -7.349 -6.476 -11.367 789 HA LYS 102 HA LYS 102 -7.219 -4.910 -13.851 790 1HB LYS 102 2HB LYS 102 -9.684 -5.332 -12.148 791 2HB LYS 102 1HB LYS 102 -9.573 -4.260 -13.534 792 1HG LYS 102 2HG LYS 102 -9.236 -6.160 -15.011 793 2HG LYS 102 1HG LYS 102 -9.258 -7.257 -13.626 794 1HD LYS 102 2HD LYS 102 -11.562 -6.548 -13.129 795 2HD LYS 102 1HD LYS 102 -11.531 -5.494 -14.543 796 1HE LYS 102 2HE LYS 102 -12.675 -7.508 -15.139 797 2HE LYS 102 1HE LYS 102 -11.112 -7.502 -15.954 798 1HZ LYS 102 1HZ LYS 102 -11.698 -9.666 -14.973 799 2HZ LYS 102 2HZ LYS 102 -11.686 -8.969 -13.424 800 3HZ LYS 102 3HZ LYS 102 -10.259 -9.037 -14.342 801 H LEU 103 H LEU 103 -8.083 -2.631 -13.382 802 HA LEU 103 HA LEU 103 -6.784 -1.630 -10.974 803 1HB LEU 103 2HB LEU 103 -6.269 -0.517 -13.073 804 2HB LEU 103 1HB LEU 103 -7.971 -0.227 -13.371 805 HG LEU 103 HG LEU 103 -8.024 1.267 -11.382 806 1HD1 LEU 103 1HD1 LEU 103 -5.040 0.885 -11.405 807 2HD1 LEU 103 2HD1 LEU 103 -6.148 0.307 -10.160 808 3HD1 LEU 103 3HD1 LEU 103 -5.931 2.039 -10.416 809 1HD2 LEU 103 1HD2 LEU 103 -6.835 3.123 -12.448 810 2HD2 LEU 103 2HD2 LEU 103 -7.753 2.182 -13.624 811 3HD2 LEU 103 3HD2 LEU 103 -6.005 1.981 -13.504 812 H ARG 104 H ARG 104 -8.028 -1.719 -9.204 813 HA ARG 104 HA ARG 104 -10.880 -1.376 -9.273 814 1HB ARG 104 2HB ARG 104 -8.967 -1.332 -6.928 815 2HB ARG 104 1HB ARG 104 -10.717 -1.416 -6.813 816 1HG ARG 104 2HG ARG 104 -9.289 -3.519 -8.355 817 2HG ARG 104 1HG ARG 104 -9.218 -3.558 -6.595 818 1HD ARG 104 2HD ARG 104 -11.052 -4.893 -7.085 819 2HD ARG 104 1HD ARG 104 -11.776 -3.337 -6.693 820 HE ARG 104 HE ARG 104 -11.960 -2.988 -9.147 821 1HH1 ARG 104 1HH1 ARG 104 -11.662 -6.236 -7.865 822 2HH1 ARG 104 2HH1 ARG 104 -12.512 -6.989 -9.185 823 1HH2 ARG 104 1HH2 ARG 104 -13.085 -3.953 -10.882 824 2HH2 ARG 104 2HH2 ARG 104 -13.333 -5.675 -10.896 825 H GLY 105 H GLY 105 -8.260 0.491 -7.740 826 1HA GLY 105 2HA GLY 105 -8.703 2.987 -8.665 827 2HA GLY 105 1HA GLY 105 -9.982 2.803 -7.473 828 H ALA 106 H ALA 106 -8.508 4.774 -6.820 829 HA ALA 106 HA ALA 106 -6.276 3.853 -5.156 830 1HB ALA 106 1HB ALA 106 -5.802 5.674 -6.732 831 2HB ALA 106 2HB ALA 106 -5.599 6.188 -5.058 832 3HB ALA 106 3HB ALA 106 -7.043 6.658 -5.954 833 H LEU 107 H LEU 107 -6.234 4.160 -2.972 834 HA LEU 107 HA LEU 107 -8.708 5.194 -1.750 835 1HB LEU 107 2HB LEU 107 -6.909 2.926 -0.939 836 2HB LEU 107 1HB LEU 107 -7.921 3.730 0.240 837 HG LEU 107 HG LEU 107 -9.014 1.733 -0.471 838 1HD1 LEU 107 1HD1 LEU 107 -11.126 2.610 -1.321 839 2HD1 LEU 107 2HD1 LEU 107 -10.324 4.117 -1.761 840 3HD1 LEU 107 3HD1 LEU 107 -10.453 3.650 -0.066 841 1HD2 LEU 107 1HD2 LEU 107 -7.888 1.399 -2.601 842 2HD2 LEU 107 2HD2 LEU 107 -8.775 2.760 -3.294 843 3HD2 LEU 107 3HD2 LEU 107 -9.639 1.305 -2.790 844 H SER 108 H SER 108 -8.474 6.248 0.308 845 HA SER 108 HA SER 108 -5.793 7.273 0.890 846 1HB SER 108 2HB SER 108 -6.980 8.950 -0.513 847 2HB SER 108 1HB SER 108 -8.275 9.008 0.682 848 HG SER 108 HG SER 108 -6.845 9.882 2.157 849 H GLY 109 H GLY 109 -5.382 7.555 3.057 850 1HA GLY 109 2HA GLY 109 -7.251 6.315 4.875 851 2HA GLY 109 1HA GLY 109 -5.641 6.899 5.267 852 H ILE 110 H ILE 110 -8.996 7.785 4.870 853 HA ILE 110 HA ILE 110 -8.616 10.509 5.711 854 HB ILE 110 HB ILE 110 -11.184 8.919 5.564 855 1HG1 ILE 110 2HG1 ILE 110 -10.022 8.970 3.394 856 2HG1 ILE 110 1HG1 ILE 110 -11.499 9.925 3.352 857 1HG2 ILE 110 1HG2 ILE 110 -10.685 11.892 5.658 858 2HG2 ILE 110 2HG2 ILE 110 -11.427 10.904 6.916 859 3HG2 ILE 110 3HG2 ILE 110 -12.252 11.137 5.374 860 1HD1 ILE 110 1HD1 ILE 110 -10.152 11.964 3.638 861 2HD1 ILE 110 2HD1 ILE 110 -9.738 11.069 2.174 862 3HD1 ILE 110 3HD1 ILE 110 -8.690 10.978 3.590 863 H HIS 111 H HIS 111 -9.750 7.508 7.182 864 HA HIS 111 HA HIS 111 -9.148 8.561 9.830 865 1HB HIS 111 2HB HIS 111 -11.858 7.445 9.053 866 2HB HIS 111 1HB HIS 111 -11.322 7.635 10.717 867 HD1 HIS 111 1HD HIS 111 -13.316 9.263 8.310 868 HD2 HIS 111 2HD HIS 111 -10.551 10.555 11.145 869 HE1 HIS 111 1HE HIS 111 -13.803 11.710 8.683 870 HE2 HIS 111 2HE HIS 111 -11.991 12.511 10.247 871 HA PRO 112 HA PRO 112 -8.017 4.251 10.563 872 1HB PRO 112 2HB PRO 112 -9.063 3.826 13.071 873 2HB PRO 112 1HB PRO 112 -7.515 4.625 12.766 874 1HG PRO 112 2HG PRO 112 -10.188 5.827 13.360 875 2HG PRO 112 1HG PRO 112 -8.584 6.316 13.936 876 1HD PRO 112 2HD PRO 112 -9.862 7.625 11.953 877 2HD PRO 112 1HD PRO 112 -8.094 7.457 11.987 878 H TRP 113 H TRP 113 -9.413 3.542 8.934 879 HA TRP 113 HA TRP 113 -11.034 2.328 7.997 880 1HB TRP 113 2HB TRP 113 -11.039 1.347 10.658 881 2HB TRP 113 1HB TRP 113 -12.718 1.504 10.140 882 HD1 TRP 113 HD TRP 113 -13.463 0.136 7.954 883 HE1 TRP 113 1HE TRP 113 -12.518 -2.022 6.912 884 HE3 TRP 113 3HE TRP 113 -8.923 0.031 10.297 885 HZ2 TRP 113 2HZ TRP 113 -10.158 -3.548 7.054 886 HZ3 TRP 113 3HZ TRP 113 -7.373 -1.808 9.782 887 HH2 TRP 113 HH TRP 113 -7.975 -3.560 8.193 888 H ALA 114 H ALA 114 -13.294 3.055 10.564 889 HA ALA 114 HA ALA 114 -15.304 4.098 10.498 890 1HB ALA 114 1HB ALA 114 -13.720 6.295 9.184 891 2HB ALA 114 2HB ALA 114 -13.761 5.970 10.917 892 3HB ALA 114 3HB ALA 114 -15.230 6.470 10.079 893 H GLU 115 H GLU 115 -14.227 5.679 7.535 894 HA GLU 115 HA GLU 115 -16.746 5.147 6.277 895 1HB GLU 115 2HB GLU 115 -14.215 6.473 5.300 896 2HB GLU 115 1HB GLU 115 -15.647 6.294 4.302 897 1HG GLU 115 2HG GLU 115 -15.700 8.483 5.141 898 2HG GLU 115 1HG GLU 115 -16.901 7.582 6.061 899 H LEU 116 H LEU 116 -13.681 3.624 6.366 900 HA LEU 116 HA LEU 116 -13.493 2.452 3.860 901 1HB LEU 116 2HB LEU 116 -12.526 1.600 6.558 902 2HB LEU 116 1HB LEU 116 -12.269 0.581 5.157 903 HG LEU 116 HG LEU 116 -11.307 3.433 5.389 904 1HD1 LEU 116 1HD1 LEU 116 -10.152 2.000 6.982 905 2HD1 LEU 116 2HD1 LEU 116 -9.077 2.441 5.655 906 3HD1 LEU 116 3HD1 LEU 116 -9.806 0.834 5.707 907 1HD2 LEU 116 1HD2 LEU 116 -10.705 1.274 3.371 908 2HD2 LEU 116 2HD2 LEU 116 -9.990 2.886 3.409 909 3HD2 LEU 116 3HD2 LEU 116 -11.715 2.695 3.093 910 H LEU 117 H LEU 117 -15.508 1.477 6.568 911 HA LEU 117 HA LEU 117 -16.116 -1.134 5.850 912 1HB LEU 117 2HB LEU 117 -17.536 0.997 7.346 913 2HB LEU 117 1HB LEU 117 -18.500 -0.361 6.802 914 HG LEU 117 HG LEU 117 -17.778 -0.738 9.077 915 1HD1 LEU 117 1HD1 LEU 117 -16.299 -2.481 7.115 916 2HD1 LEU 117 2HD1 LEU 117 -17.959 -2.691 7.672 917 3HD1 LEU 117 3HD1 LEU 117 -16.617 -2.887 8.800 918 1HD2 LEU 117 1HD2 LEU 117 -14.955 -0.491 8.042 919 2HD2 LEU 117 2HD2 LEU 117 -15.432 -0.928 9.683 920 3HD2 LEU 117 3HD2 LEU 117 -15.787 0.684 9.062 921 H THR 118 H THR 118 -17.706 1.856 4.768 922 HA THR 118 HA THR 118 -19.504 0.474 3.014 923 HB THR 118 HB THR 118 -18.765 3.414 3.016 924 HG1 THR 118 1HG THR 118 -20.848 2.056 4.428 925 1HG2 THR 118 1HG2 THR 118 -20.983 3.733 2.044 926 2HG2 THR 118 2HG2 THR 118 -21.261 1.992 2.074 927 3HG2 THR 118 3HG2 THR 118 -20.011 2.667 1.029 928 H LEU 119 H LEU 119 -16.381 2.054 2.700 929 HA LEU 119 HA LEU 119 -16.271 2.142 -0.119 930 1HB LEU 119 2HB LEU 119 -14.036 1.955 1.904 931 2HB LEU 119 1HB LEU 119 -13.813 2.316 0.204 932 HG LEU 119 HG LEU 119 -15.329 4.027 2.177 933 1HD1 LEU 119 1HD1 LEU 119 -12.921 4.055 2.563 934 2HD1 LEU 119 2HD1 LEU 119 -13.475 5.591 1.899 935 3HD1 LEU 119 3HD1 LEU 119 -12.646 4.430 0.862 936 1HD2 LEU 119 1HD2 LEU 119 -16.267 4.200 -0.058 937 2HD2 LEU 119 2HD2 LEU 119 -14.660 4.480 -0.730 938 3HD2 LEU 119 3HD2 LEU 119 -15.383 5.672 0.350 939 H MET 120 H MET 120 -15.090 -0.250 2.227 940 HA MET 120 HA MET 120 -13.920 -2.038 0.446 941 1HB MET 120 2HB MET 120 -14.957 -2.165 3.196 942 2HB MET 120 1HB MET 120 -14.924 -3.705 2.356 943 1HG MET 120 2HG MET 120 -12.910 -3.446 3.623 944 2HG MET 120 1HG MET 120 -12.527 -3.383 1.906 945 1HE MET 120 1HE MET 120 -12.679 -0.717 0.732 946 2HE MET 120 2HE MET 120 -11.139 -1.569 0.841 947 3HE MET 120 3HE MET 120 -11.241 0.132 1.299 948 H ARG 121 H ARG 121 -17.276 -1.935 1.617 949 HA ARG 121 HA ARG 121 -18.096 -4.292 0.307 950 1HB ARG 121 2HB ARG 121 -19.266 -2.803 2.164 951 2HB ARG 121 1HB ARG 121 -20.024 -2.051 0.769 952 1HG ARG 121 2HG ARG 121 -20.094 -5.018 1.250 953 2HG ARG 121 1HG ARG 121 -21.326 -3.912 1.855 954 1HD ARG 121 2HD ARG 121 -22.014 -3.324 -0.321 955 2HD ARG 121 1HD ARG 121 -20.568 -4.017 -1.052 956 HE ARG 121 HE ARG 121 -21.462 -6.208 -0.602 957 1HH1 ARG 121 1HH1 ARG 121 -23.724 -3.550 -0.153 958 2HH1 ARG 121 2HH1 ARG 121 -25.123 -4.562 -0.394 959 1HH2 ARG 121 1HH2 ARG 121 -23.291 -7.501 -0.915 960 2HH2 ARG 121 2HH2 ARG 121 -24.880 -6.801 -0.797 961 H SER 122 H SER 122 -18.089 -0.902 -0.686 962 HA SER 122 HA SER 122 -19.563 -1.307 -3.076 963 1HB SER 122 2HB SER 122 -19.235 0.889 -1.836 964 2HB SER 122 1HB SER 122 -17.619 0.943 -2.537 965 HG SER 122 HG SER 122 -18.670 1.954 -4.075 966 H ILE 123 H ILE 123 -16.102 -1.228 -2.344 967 HA ILE 123 HA ILE 123 -15.323 -1.419 -5.099 968 HB ILE 123 HB ILE 123 -13.698 -1.810 -2.581 969 1HG1 ILE 123 2HG1 ILE 123 -13.904 0.553 -4.465 970 2HG1 ILE 123 1HG1 ILE 123 -14.644 0.462 -2.871 971 1HG2 ILE 123 1HG2 ILE 123 -11.739 -1.562 -4.015 972 2HG2 ILE 123 2HG2 ILE 123 -12.777 -1.465 -5.437 973 3HG2 ILE 123 3HG2 ILE 123 -12.698 -2.957 -4.500 974 1HD1 ILE 123 1HD1 ILE 123 -12.436 0.335 -1.848 975 2HD1 ILE 123 2HD1 ILE 123 -12.603 1.781 -2.841 976 3HD1 ILE 123 3HD1 ILE 123 -11.687 0.399 -3.443 977 H VAL 124 H VAL 124 -15.386 -3.687 -2.347 978 HA VAL 124 HA VAL 124 -15.201 -5.893 -4.261 979 HB VAL 124 HB VAL 124 -13.674 -7.089 -2.609 980 1HG1 VAL 124 1HG1 VAL 124 -12.623 -4.679 -4.093 981 2HG1 VAL 124 2HG1 VAL 124 -12.883 -6.289 -4.764 982 3HG1 VAL 124 3HG1 VAL 124 -11.646 -6.036 -3.531 983 1HG2 VAL 124 1HG2 VAL 124 -12.261 -5.664 -1.201 984 2HG2 VAL 124 2HG2 VAL 124 -13.953 -5.584 -0.710 985 3HG2 VAL 124 3HG2 VAL 124 -13.241 -4.263 -1.637 986 H ASP 125 H ASP 125 -17.506 -5.915 -3.785 987 HA ASP 125 HA ASP 125 -18.696 -6.515 -1.366 988 1HB ASP 125 2HB ASP 125 -20.138 -6.121 -3.181 989 2HB ASP 125 1HB ASP 125 -19.357 -7.340 -4.181 990 H THR 126 H THR 126 -17.103 -8.702 -3.620 991 HA THR 126 HA THR 126 -16.179 -10.760 -3.356 992 HB THR 126 HB THR 126 -16.875 -10.555 -0.419 993 HG1 THR 126 1HG THR 126 -15.572 -8.790 -1.081 994 1HG2 THR 126 1HG2 THR 126 -16.275 -12.809 -1.139 995 2HG2 THR 126 2HG2 THR 126 -14.988 -12.121 -0.148 996 3HG2 THR 126 3HG2 THR 126 -14.811 -12.194 -1.901 997 HA PRO 127 HA PRO 127 -20.295 -12.599 -3.796 998 1HB PRO 127 2HB PRO 127 -19.625 -14.305 -5.785 999 2HB PRO 127 1HB PRO 127 -19.951 -12.591 -6.063 1000 1HG PRO 127 2HG PRO 127 -17.326 -14.003 -5.813 1001 2HG PRO 127 1HG PRO 127 -17.813 -12.738 -6.956 1002 1HD PRO 127 2HD PRO 127 -16.327 -12.239 -4.734 1003 2HD PRO 127 1HD PRO 127 -17.438 -11.050 -5.441 1004 H ALA 128 H ALA 128 -17.287 -14.051 -3.001 1005 HA ALA 128 HA ALA 128 -16.662 -15.915 -1.895 1006 1HB ALA 128 1HB ALA 128 -18.398 -15.272 -0.283 1007 2HB ALA 128 2HB ALA 128 -18.221 -17.023 -0.405 1008 3HB ALA 128 3HB ALA 128 -19.580 -16.217 -1.191 1009 H ALA 129 H ALA 129 -15.941 -17.060 -3.610 1010 HA ALA 129 HA ALA 129 -17.798 -18.545 -5.284 1011 1HB ALA 129 1HB ALA 129 -14.790 -18.345 -5.398 1012 2HB ALA 129 2HB ALA 129 -15.932 -17.354 -6.306 1013 3HB ALA 129 3HB ALA 129 -15.827 -19.087 -6.615 1014 H GLN 130 H GLN 130 -17.247 -19.267 -2.394 1015 HA GLN 130 HA GLN 130 -15.765 -21.706 -2.415 1016 1HB GLN 130 2HB GLN 130 -15.999 -20.323 -0.390 1017 2HB GLN 130 1HB GLN 130 -17.724 -20.660 -0.363 1018 1HG GLN 130 2HG GLN 130 -17.252 -23.038 -0.043 1019 2HG GLN 130 1HG GLN 130 -15.524 -22.692 -0.057 1020 1HE2 GLN 130 1HE2 GLN 130 -14.586 -21.650 1.690 1021 2HE2 GLN 130 2HE2 GLN 130 -15.397 -21.517 3.223 1022 H GLU 131 H GLU 131 -16.516 -23.204 -3.766 1023 HA GLU 131 HA GLU 131 -17.698 -24.997 -4.456 1024 1HB GLU 131 2HB GLU 131 -19.358 -24.403 -2.016 1025 2HB GLU 131 1HB GLU 131 -19.679 -25.763 -3.081 1026 1HG GLU 131 2HG GLU 131 -17.425 -26.625 -2.634 1027 2HG GLU 131 1HG GLU 131 -17.144 -25.275 -1.534 1028 H THR 132 H THR 132 -19.007 -21.907 -4.326 1029 HA THR 132 HA THR 132 -21.451 -22.449 -5.714 1030 HB THR 132 HB THR 132 -21.339 -19.936 -6.206 1031 HG1 THR 132 1HG THR 132 -19.776 -18.962 -4.561 1032 1HG2 THR 132 1HG2 THR 132 -21.250 -20.874 -3.335 1033 2HG2 THR 132 2HG2 THR 132 -22.675 -20.823 -4.373 1034 3HG2 THR 132 3HG2 THR 132 -21.889 -19.324 -3.882 1035 H VAL 133 H VAL 133 -18.195 -21.436 -6.595 1036 HA VAL 133 HA VAL 133 -17.124 -21.150 -8.582 1037 HB VAL 133 HB VAL 133 -18.849 -23.425 -9.575 1038 1HG1 VAL 133 1HG1 VAL 133 -17.443 -22.385 -11.268 1039 2HG1 VAL 133 2HG1 VAL 133 -16.845 -23.998 -10.879 1040 3HG1 VAL 133 3HG1 VAL 133 -16.025 -22.576 -10.237 1041 1HG2 VAL 133 1HG2 VAL 133 -17.987 -24.023 -7.375 1042 2HG2 VAL 133 2HG2 VAL 133 -16.353 -23.584 -7.879 1043 3HG2 VAL 133 3HG2 VAL 133 -17.173 -24.951 -8.633 1044 H GLN 134 H GLN 134 -18.465 -19.128 -8.648 1045 HA GLN 134 HA GLN 134 -20.434 -19.192 -10.823 1046 1HB GLN 134 2HB GLN 134 -21.270 -17.039 -9.786 1047 2HB GLN 134 1HB GLN 134 -21.523 -18.498 -8.837 1048 1HG GLN 134 2HG GLN 134 -19.505 -17.920 -7.514 1049 2HG GLN 134 1HG GLN 134 -19.396 -16.407 -8.411 1050 1HE2 GLN 134 1HE2 GLN 134 -22.317 -16.102 -8.507 1051 2HE2 GLN 134 2HE2 GLN 134 -22.795 -15.604 -6.916 Start of MODEL 19 1 1H MET 1 1HT MET 1 6.764 14.594 9.668 2 2H MET 1 2HT MET 1 7.376 14.073 11.162 3 3H MET 1 3HT MET 1 7.100 12.954 9.912 4 HA MET 1 HA MET 1 8.820 13.788 8.591 5 1HB MET 1 2HB MET 1 8.962 15.996 10.647 6 2HB MET 1 1HB MET 1 10.250 15.686 9.492 7 1HG MET 1 2HG MET 1 8.848 17.484 8.714 8 2HG MET 1 1HG MET 1 8.693 16.090 7.650 9 1HE MET 1 1HE MET 1 6.533 17.294 6.611 10 2HE MET 1 2HE MET 1 6.663 18.623 7.765 11 3HE MET 1 3HE MET 1 5.131 17.772 7.570 12 H ALA 2 H ALA 2 9.686 11.797 9.106 13 HA ALA 2 HA ALA 2 10.983 11.374 11.641 14 1HB ALA 2 1HB ALA 2 9.932 9.517 10.442 15 2HB ALA 2 2HB ALA 2 11.649 9.218 10.709 16 3HB ALA 2 3HB ALA 2 11.077 9.721 9.119 17 H ASN 3 H ASN 3 12.823 12.289 12.122 18 HA ASN 3 HA ASN 3 14.988 12.955 12.079 19 1HB ASN 3 2HB ASN 3 15.097 11.278 9.562 20 2HB ASN 3 1HB ASN 3 16.505 12.019 10.315 21 1HD2 ASN 3 1HD2 ASN 3 15.959 9.219 9.849 22 2HD2 ASN 3 2HD2 ASN 3 15.968 8.455 11.404 23 H ASP 4 H ASP 4 16.676 13.813 10.103 24 HA ASP 4 HA ASP 4 15.289 16.217 9.203 25 1HB ASP 4 2HB ASP 4 17.487 16.379 10.394 26 2HB ASP 4 1HB ASP 4 18.238 15.541 9.039 27 H THR 5 H THR 5 17.332 13.638 7.907 28 HA THR 5 HA THR 5 16.356 14.186 5.206 29 HB THR 5 HB THR 5 18.310 12.054 6.112 30 HG1 THR 5 1HG THR 5 19.341 14.211 4.748 31 1HG2 THR 5 1HG2 THR 5 18.983 12.016 3.759 32 2HG2 THR 5 2HG2 THR 5 17.774 13.242 3.386 33 3HG2 THR 5 3HG2 THR 5 17.267 11.643 3.928 34 HA PRO 6 HA PRO 6 13.025 11.423 6.382 35 1HB PRO 6 2HB PRO 6 12.279 11.727 3.536 36 2HB PRO 6 1HB PRO 6 11.332 12.048 4.992 37 1HG PRO 6 2HG PRO 6 12.302 14.050 3.510 38 2HG PRO 6 1HG PRO 6 12.233 14.160 5.279 39 1HD PRO 6 2HD PRO 6 14.573 13.584 3.500 40 2HD PRO 6 1HD PRO 6 14.489 14.586 4.965 41 H PHE 7 H PHE 7 14.104 9.497 6.655 42 HA PHE 7 HA PHE 7 14.098 7.766 4.280 43 1HB PHE 7 2HB PHE 7 16.420 8.223 4.973 44 2HB PHE 7 1HB PHE 7 16.050 7.642 6.592 45 HD1 PHE 7 1HD PHE 7 16.213 6.590 3.040 46 HD2 PHE 7 2HD PHE 7 16.226 5.369 7.115 47 HE1 PHE 7 1HE PHE 7 16.807 4.302 2.349 48 HE2 PHE 7 2HE PHE 7 16.821 3.083 6.433 49 HZ PHE 7 HZ PHE 7 17.113 2.548 4.047 50 H SER 8 H SER 8 12.392 6.509 4.503 51 HA SER 8 HA SER 8 11.113 5.936 6.940 52 1HB SER 8 2HB SER 8 10.908 4.409 4.336 53 2HB SER 8 1HB SER 8 9.718 4.438 5.639 54 HG SER 8 HG SER 8 9.576 6.753 5.232 55 H ALA 9 H ALA 9 11.723 4.596 8.494 56 HA ALA 9 HA ALA 9 13.872 2.773 8.286 57 1HB ALA 9 1HB ALA 9 13.199 3.767 10.416 58 2HB ALA 9 2HB ALA 9 13.183 2.005 10.512 59 3HB ALA 9 3HB ALA 9 11.669 2.896 10.349 60 H LEU 10 H LEU 10 10.450 2.524 7.783 61 HA LEU 10 HA LEU 10 10.062 -0.226 7.813 62 1HB LEU 10 2HB LEU 10 8.259 1.431 7.609 63 2HB LEU 10 1HB LEU 10 8.801 1.826 5.990 64 HG LEU 10 HG LEU 10 8.259 -0.487 5.277 65 1HD1 LEU 10 1HD1 LEU 10 6.858 -1.871 6.744 66 2HD1 LEU 10 2HD1 LEU 10 7.112 -0.719 8.055 67 3HD1 LEU 10 3HD1 LEU 10 8.476 -1.627 7.404 68 1HD2 LEU 10 1HD2 LEU 10 6.666 1.298 4.911 69 2HD2 LEU 10 2HD2 LEU 10 6.013 1.080 6.536 70 3HD2 LEU 10 3HD2 LEU 10 5.818 -0.191 5.331 71 H TRP 11 H TRP 11 11.424 1.849 5.313 72 HA TRP 11 HA TRP 11 11.398 0.084 3.156 73 1HB TRP 11 2HB TRP 11 12.767 2.568 3.848 74 2HB TRP 11 1HB TRP 11 13.748 1.519 2.833 75 HD1 TRP 11 HD TRP 11 11.722 4.341 2.313 76 HE1 TRP 11 1HE TRP 11 10.527 4.336 0.024 77 HE3 TRP 11 3HE TRP 11 12.191 -0.617 1.170 78 HZ2 TRP 11 2HZ TRP 11 9.878 2.456 -1.992 79 HZ3 TRP 11 3HZ TRP 11 11.253 -1.433 -0.948 80 HH2 TRP 11 HH TRP 11 10.120 0.075 -2.492 81 H GLN 12 H GLN 12 13.679 0.395 5.816 82 HA GLN 12 HA GLN 12 15.729 -1.251 4.892 83 1HB GLN 12 2HB GLN 12 15.990 0.083 6.895 84 2HB GLN 12 1HB GLN 12 14.706 -0.804 7.701 85 1HG GLN 12 2HG GLN 12 16.813 -1.538 8.552 86 2HG GLN 12 1HG GLN 12 16.106 -2.840 7.598 87 1HE2 GLN 12 1HE2 GLN 12 17.042 -3.400 5.629 88 2HE2 GLN 12 2HE2 GLN 12 18.643 -2.901 5.204 89 H ARG 13 H ARG 13 12.760 -2.066 6.623 90 HA ARG 13 HA ARG 13 13.341 -4.859 6.754 91 1HB ARG 13 2HB ARG 13 10.784 -3.310 7.195 92 2HB ARG 13 1HB ARG 13 10.928 -5.045 7.445 93 1HG ARG 13 2HG ARG 13 12.517 -2.935 8.895 94 2HG ARG 13 1HG ARG 13 11.112 -3.789 9.537 95 1HD ARG 13 2HD ARG 13 12.287 -5.902 9.383 96 2HD ARG 13 1HD ARG 13 13.668 -5.107 8.633 97 HE ARG 13 HE ARG 13 13.264 -3.851 11.075 98 1HH1 ARG 13 1HH1 ARG 13 14.040 -7.054 9.908 99 2HH1 ARG 13 2HH1 ARG 13 14.964 -7.500 11.301 100 1HH2 ARG 13 1HH2 ARG 13 14.492 -4.419 12.942 101 2HH2 ARG 13 2HH2 ARG 13 15.222 -6.001 13.036 102 H LEU 14 H LEU 14 11.687 -2.769 4.497 103 HA LEU 14 HA LEU 14 10.313 -4.807 3.081 104 1HB LEU 14 2HB LEU 14 11.187 -2.106 2.062 105 2HB LEU 14 1HB LEU 14 9.941 -3.127 1.372 106 HG LEU 14 HG LEU 14 9.835 -1.728 4.044 107 1HD1 LEU 14 1HD1 LEU 14 9.482 -0.233 2.177 108 2HD1 LEU 14 2HD1 LEU 14 7.961 -0.510 3.025 109 3HD1 LEU 14 3HD1 LEU 14 8.280 -1.327 1.496 110 1HD2 LEU 14 1HD2 LEU 14 8.766 -3.925 4.158 111 2HD2 LEU 14 2HD2 LEU 14 7.787 -3.520 2.748 112 3HD2 LEU 14 3HD2 LEU 14 7.582 -2.621 4.251 113 H LEU 15 H LEU 15 13.415 -3.151 2.522 114 HA LEU 15 HA LEU 15 14.181 -4.602 0.247 115 1HB LEU 15 2HB LEU 15 15.623 -3.048 2.334 116 2HB LEU 15 1HB LEU 15 16.571 -4.122 1.324 117 HG LEU 15 HG LEU 15 15.646 -2.948 -0.676 118 1HD1 LEU 15 1HD1 LEU 15 13.634 -2.032 0.346 119 2HD1 LEU 15 2HD1 LEU 15 14.623 -0.772 -0.396 120 3HD1 LEU 15 3HD1 LEU 15 14.628 -0.981 1.354 121 1HD2 LEU 15 1HD2 LEU 15 17.173 -1.280 1.309 122 2HD2 LEU 15 2HD2 LEU 15 17.064 -0.959 -0.420 123 3HD2 LEU 15 3HD2 LEU 15 17.857 -2.426 0.158 124 H THR 16 H THR 16 14.126 -5.462 3.601 125 HA THR 16 HA THR 16 15.838 -7.742 3.384 126 HB THR 16 HB THR 16 13.689 -7.205 5.447 127 HG1 THR 16 1HG THR 16 15.355 -5.535 5.237 128 1HG2 THR 16 1HG2 THR 16 15.038 -8.670 6.882 129 2HG2 THR 16 2HG2 THR 16 16.153 -8.955 5.545 130 3HG2 THR 16 3HG2 THR 16 14.486 -9.520 5.439 131 H ARG 17 H ARG 17 12.300 -7.395 3.748 132 HA ARG 17 HA ARG 17 11.592 -9.018 1.598 133 1HB ARG 17 2HB ARG 17 12.605 -10.808 3.107 134 2HB ARG 17 1HB ARG 17 11.270 -10.502 4.210 135 1HG ARG 17 2HG ARG 17 9.689 -11.086 2.416 136 2HG ARG 17 1HG ARG 17 11.055 -11.466 1.366 137 1HD ARG 17 2HD ARG 17 11.798 -13.115 3.103 138 2HD ARG 17 1HD ARG 17 10.263 -12.836 3.925 139 HE ARG 17 HE ARG 17 10.318 -13.748 1.125 140 1HH1 ARG 17 1HH1 ARG 17 9.253 -14.133 4.437 141 2HH1 ARG 17 2HH1 ARG 17 8.391 -15.613 4.131 142 1HH2 ARG 17 1HH2 ARG 17 9.146 -15.674 0.698 143 2HH2 ARG 17 2HH2 ARG 17 8.313 -16.478 1.999 144 H GLY 18 H GLY 18 9.480 -8.614 1.170 145 1HA GLY 18 2HA GLY 18 7.258 -8.650 2.599 146 2HA GLY 18 1HA GLY 18 7.963 -7.153 3.197 147 H TRP 19 H TRP 19 7.899 -5.332 1.943 148 HA TRP 19 HA TRP 19 6.171 -5.485 -0.398 149 1HB TRP 19 2HB TRP 19 7.286 -3.056 1.013 150 2HB TRP 19 1HB TRP 19 6.101 -3.036 -0.280 151 HD1 TRP 19 HD TRP 19 4.928 -5.778 1.718 152 HE1 TRP 19 1HE TRP 19 3.178 -5.028 3.451 153 HE3 TRP 19 3HE TRP 19 5.750 -0.736 1.575 154 HZ2 TRP 19 2HZ TRP 19 2.268 -2.619 4.600 155 HZ3 TRP 19 3HZ TRP 19 4.397 0.723 3.020 156 HH2 TRP 19 HH TRP 19 2.693 -0.201 4.501 157 H GLN 20 H GLN 20 7.075 -5.742 -2.298 158 HA GLN 20 HA GLN 20 9.855 -5.017 -2.717 159 1HB GLN 20 2HB GLN 20 7.929 -6.842 -3.912 160 2HB GLN 20 1HB GLN 20 8.846 -5.959 -5.121 161 1HG GLN 20 2HG GLN 20 9.827 -8.149 -4.462 162 2HG GLN 20 1HG GLN 20 10.913 -6.777 -4.256 163 1HE2 GLN 20 1HE2 GLN 20 11.474 -6.116 -2.180 164 2HE2 GLN 20 2HE2 GLN 20 11.187 -7.093 -0.786 165 HA PRO 21 HA PRO 21 8.853 -1.040 -4.365 166 1HB PRO 21 2HB PRO 21 11.428 -1.268 -5.786 167 2HB PRO 21 1HB PRO 21 10.896 -0.063 -4.615 168 1HG PRO 21 2HG PRO 21 12.701 -1.915 -3.960 169 2HG PRO 21 1HG PRO 21 11.475 -1.372 -2.801 170 1HD PRO 21 2HD PRO 21 11.550 -3.877 -4.440 171 2HD PRO 21 1HD PRO 21 11.067 -3.658 -2.745 172 H VAL 22 H VAL 22 7.258 -1.208 -5.835 173 HA VAL 22 HA VAL 22 7.754 -2.475 -8.402 174 HB VAL 22 HB VAL 22 5.379 -1.917 -8.896 175 1HG1 VAL 22 1HG1 VAL 22 5.952 -4.070 -7.955 176 2HG1 VAL 22 2HG1 VAL 22 4.419 -3.508 -7.283 177 3HG1 VAL 22 3HG1 VAL 22 5.894 -3.399 -6.324 178 1HG2 VAL 22 1HG2 VAL 22 3.935 -1.124 -7.074 179 2HG2 VAL 22 2HG2 VAL 22 5.147 0.079 -7.512 180 3HG2 VAL 22 3HG2 VAL 22 5.356 -0.891 -6.056 181 H GLU 23 H GLU 23 6.618 -1.172 -10.292 182 HA GLU 23 HA GLU 23 7.425 1.599 -10.364 183 1HB GLU 23 2HB GLU 23 9.327 -0.291 -10.937 184 2HB GLU 23 1HB GLU 23 8.677 0.048 -12.524 185 1HG GLU 23 2HG GLU 23 9.342 2.375 -10.847 186 2HG GLU 23 1HG GLU 23 10.689 1.395 -11.419 187 H ALA 24 H ALA 24 7.266 2.257 -12.828 188 HA ALA 24 HA ALA 24 4.561 1.541 -13.613 189 1HB ALA 24 1HB ALA 24 6.509 3.487 -14.847 190 2HB ALA 24 2HB ALA 24 5.264 3.883 -13.663 191 3HB ALA 24 3HB ALA 24 4.805 3.327 -15.274 192 H SER 25 H SER 25 7.845 1.140 -14.712 193 HA SER 25 HA SER 25 7.344 0.098 -17.268 194 1HB SER 25 2HB SER 25 9.672 -0.641 -15.487 195 2HB SER 25 1HB SER 25 9.636 -0.577 -17.248 196 HG SER 25 HG SER 25 9.993 1.449 -15.409 197 H THR 26 H THR 26 7.249 -1.360 -14.095 198 HA THR 26 HA THR 26 6.773 -3.988 -15.339 199 HB THR 26 HB THR 26 8.924 -3.977 -14.184 200 HG1 THR 26 1HG THR 26 6.855 -5.468 -12.907 201 1HG2 THR 26 1HG2 THR 26 8.524 -2.217 -12.553 202 2HG2 THR 26 2HG2 THR 26 9.043 -3.690 -11.736 203 3HG2 THR 26 3HG2 THR 26 7.341 -3.226 -11.722 204 H VAL 27 H VAL 27 4.966 -1.708 -14.258 205 HA VAL 27 HA VAL 27 3.669 -2.762 -11.963 206 HB VAL 27 HB VAL 27 3.511 -0.367 -12.595 207 1HG1 VAL 27 1HG1 VAL 27 1.686 -1.334 -14.790 208 2HG1 VAL 27 2HG1 VAL 27 3.256 -0.558 -14.997 209 3HG1 VAL 27 3HG1 VAL 27 1.908 0.349 -14.309 210 1HG2 VAL 27 1HG2 VAL 27 1.153 -0.075 -12.016 211 2HG2 VAL 27 2HG2 VAL 27 1.919 -1.319 -11.027 212 3HG2 VAL 27 3HG2 VAL 27 0.859 -1.780 -12.359 213 H ASP 28 H ASP 28 3.009 -2.962 -15.431 214 HA ASP 28 HA ASP 28 0.611 -4.379 -15.369 215 1HB ASP 28 2HB ASP 28 2.897 -4.452 -17.345 216 2HB ASP 28 1HB ASP 28 1.360 -5.260 -17.619 217 H ASP 29 H ASP 29 3.942 -5.492 -15.273 218 HA ASP 29 HA ASP 29 3.412 -8.245 -15.524 219 1HB ASP 29 2HB ASP 29 5.634 -7.141 -15.903 220 2HB ASP 29 1HB ASP 29 5.784 -6.953 -14.159 221 H TRP 30 H TRP 30 4.051 -6.238 -12.657 222 HA TRP 30 HA TRP 30 3.947 -8.345 -10.795 223 1HB TRP 30 2HB TRP 30 4.896 -6.071 -10.363 224 2HB TRP 30 1HB TRP 30 3.258 -5.431 -10.318 225 HD1 TRP 30 HD TRP 30 5.703 -7.550 -8.279 226 HE1 TRP 30 1HE TRP 30 4.818 -7.745 -5.868 227 HE3 TRP 30 3HE TRP 30 1.112 -5.391 -8.917 228 HZ2 TRP 30 2HZ TRP 30 2.487 -7.074 -4.434 229 HZ3 TRP 30 3HZ TRP 30 -0.381 -5.204 -6.970 230 HH2 TRP 30 HH TRP 30 0.294 -6.029 -4.777 231 H ILE 31 H ILE 31 1.407 -6.124 -11.946 232 HA ILE 31 HA ILE 31 -0.623 -6.978 -10.214 233 HB ILE 31 HB ILE 31 -0.890 -5.911 -13.032 234 1HG1 ILE 31 2HG1 ILE 31 -1.163 -4.464 -10.391 235 2HG1 ILE 31 1HG1 ILE 31 0.293 -4.443 -11.383 236 1HG2 ILE 31 1HG2 ILE 31 -3.182 -5.319 -12.405 237 2HG2 ILE 31 2HG2 ILE 31 -2.966 -6.132 -10.855 238 3HG2 ILE 31 3HG2 ILE 31 -2.919 -7.062 -12.353 239 1HD1 ILE 31 1HD1 ILE 31 -1.029 -2.440 -11.720 240 2HD1 ILE 31 2HD1 ILE 31 -2.417 -3.416 -12.200 241 3HD1 ILE 31 3HD1 ILE 31 -0.964 -3.399 -13.199 242 H LYS 32 H LYS 32 0.354 -8.172 -13.405 243 HA LYS 32 HA LYS 32 -1.690 -10.143 -13.584 244 1HB LYS 32 2HB LYS 32 -0.660 -9.390 -15.608 245 2HB LYS 32 1HB LYS 32 0.948 -9.766 -15.007 246 1HG LYS 32 2HG LYS 32 0.145 -11.353 -16.694 247 2HG LYS 32 1HG LYS 32 0.506 -12.126 -15.164 248 1HD LYS 32 2HD LYS 32 -1.838 -12.142 -14.637 249 2HD LYS 32 1HD LYS 32 -2.226 -11.336 -16.148 250 1HE LYS 32 2HE LYS 32 -1.281 -13.238 -17.382 251 2HE LYS 32 1HE LYS 32 -0.929 -14.044 -15.856 252 1HZ LYS 32 1HZ LYS 32 -3.649 -13.311 -16.816 253 2HZ LYS 32 2HZ LYS 32 -3.285 -14.154 -15.389 254 3HZ LYS 32 3HZ LYS 32 -2.962 -14.861 -16.893 255 H ARG 33 H ARG 33 1.551 -10.105 -12.276 256 HA ARG 33 HA ARG 33 1.869 -12.891 -12.105 257 1HB ARG 33 2HB ARG 33 3.291 -10.472 -11.127 258 2HB ARG 33 1HB ARG 33 3.728 -12.019 -10.471 259 1HG ARG 33 2HG ARG 33 3.818 -11.198 -13.357 260 2HG ARG 33 1HG ARG 33 5.197 -11.482 -12.296 261 1HD ARG 33 2HD ARG 33 3.179 -13.592 -13.048 262 2HD ARG 33 1HD ARG 33 4.705 -13.344 -13.890 263 HE ARG 33 HE ARG 33 5.839 -13.946 -11.825 264 1HH1 ARG 33 1HH1 ARG 33 2.446 -14.766 -12.052 265 2HH1 ARG 33 2HH1 ARG 33 2.546 -16.045 -10.888 266 1HH2 ARG 33 1HH2 ARG 33 5.992 -15.655 -10.345 267 2HH2 ARG 33 2HH2 ARG 33 4.570 -16.571 -9.919 268 H VAL 34 H VAL 34 0.932 -10.423 -9.692 269 HA VAL 34 HA VAL 34 0.652 -12.545 -7.715 270 HB VAL 34 HB VAL 34 0.146 -10.788 -6.092 271 1HG1 VAL 34 1HG1 VAL 34 2.458 -11.419 -6.472 272 2HG1 VAL 34 2HG1 VAL 34 2.344 -9.699 -6.098 273 3HG1 VAL 34 3HG1 VAL 34 2.591 -10.226 -7.763 274 1HG2 VAL 34 1HG2 VAL 34 0.318 -8.416 -6.706 275 2HG2 VAL 34 2HG2 VAL 34 -1.030 -9.209 -7.520 276 3HG2 VAL 34 3HG2 VAL 34 0.460 -8.874 -8.404 277 H GLY 35 H GLY 35 -1.388 -10.274 -9.474 278 1HA GLY 35 2HA GLY 35 -3.592 -10.666 -10.143 279 2HA GLY 35 1HA GLY 35 -3.686 -11.994 -8.994 280 H ASP 36 H ASP 36 -3.106 -10.926 -6.630 281 HA ASP 36 HA ASP 36 -5.094 -8.776 -6.309 282 1HB ASP 36 2HB ASP 36 -4.634 -11.124 -4.453 283 2HB ASP 36 1HB ASP 36 -5.785 -9.822 -4.203 284 H GLY 37 H GLY 37 -4.312 -7.021 -5.384 285 1HA GLY 37 2HA GLY 37 -2.791 -6.909 -3.070 286 2HA GLY 37 1HA GLY 37 -1.646 -6.896 -4.404 287 H VAL 38 H VAL 38 -1.116 -4.759 -3.491 288 HA VAL 38 HA VAL 38 -2.766 -2.703 -4.758 289 HB VAL 38 HB VAL 38 -2.511 -1.197 -2.783 290 1HG1 VAL 38 1HG1 VAL 38 -4.612 -2.363 -3.170 291 2HG1 VAL 38 2HG1 VAL 38 -4.297 -2.201 -1.445 292 3HG1 VAL 38 3HG1 VAL 38 -4.028 -3.746 -2.250 293 1HG2 VAL 38 1HG2 VAL 38 -1.967 -2.150 -0.599 294 2HG2 VAL 38 2HG2 VAL 38 -0.615 -2.328 -1.718 295 3HG2 VAL 38 3HG2 VAL 38 -1.645 -3.710 -1.353 296 H ILE 39 H ILE 39 -1.625 -0.966 -5.530 297 HA ILE 39 HA ILE 39 1.295 -1.035 -5.173 298 HB ILE 39 HB ILE 39 -0.412 0.135 -7.369 299 1HG1 ILE 39 2HG1 ILE 39 1.306 -1.067 -8.794 300 2HG1 ILE 39 1HG1 ILE 39 1.926 -1.785 -7.312 301 1HG2 ILE 39 1HG2 ILE 39 2.489 0.763 -6.849 302 2HG2 ILE 39 2HG2 ILE 39 1.139 1.892 -6.743 303 3HG2 ILE 39 3HG2 ILE 39 1.591 1.202 -8.302 304 1HD1 ILE 39 1HD1 ILE 39 -0.257 -2.825 -6.926 305 2HD1 ILE 39 2HD1 ILE 39 0.444 -3.310 -8.471 306 3HD1 ILE 39 3HD1 ILE 39 -0.851 -2.113 -8.428 307 H LEU 40 H LEU 40 1.915 0.217 -3.562 308 HA LEU 40 HA LEU 40 0.499 2.672 -2.913 309 1HB LEU 40 2HB LEU 40 1.703 0.920 -1.326 310 2HB LEU 40 1HB LEU 40 3.117 1.883 -1.694 311 HG LEU 40 HG LEU 40 0.589 3.004 -0.475 312 1HD1 LEU 40 1HD1 LEU 40 1.833 3.038 1.631 313 2HD1 LEU 40 2HD1 LEU 40 3.174 2.199 0.852 314 3HD1 LEU 40 3HD1 LEU 40 1.616 1.392 1.035 315 1HD2 LEU 40 1HD2 LEU 40 3.361 4.157 -0.749 316 2HD2 LEU 40 2HD2 LEU 40 1.998 4.918 0.072 317 3HD2 LEU 40 3HD2 LEU 40 1.941 4.651 -1.671 318 H LEU 41 H LEU 41 0.863 4.303 -4.335 319 HA LEU 41 HA LEU 41 3.120 4.490 -6.006 320 1HB LEU 41 2HB LEU 41 0.915 6.380 -5.292 321 2HB LEU 41 1HB LEU 41 2.281 6.958 -6.223 322 HG LEU 41 HG LEU 41 1.794 5.201 -7.934 323 1HD1 LEU 41 1HD1 LEU 41 0.592 3.632 -6.506 324 2HD1 LEU 41 2HD1 LEU 41 -0.370 4.092 -7.909 325 3HD1 LEU 41 3HD1 LEU 41 -0.723 4.794 -6.330 326 1HD2 LEU 41 1HD2 LEU 41 -0.445 7.124 -7.327 327 2HD2 LEU 41 2HD2 LEU 41 -0.138 6.355 -8.883 328 3HD2 LEU 41 3HD2 LEU 41 1.033 7.492 -8.218 329 H SER 42 H SER 42 5.045 5.351 -5.784 330 HA SER 42 HA SER 42 6.934 6.025 -4.741 331 1HB SER 42 2HB SER 42 6.893 8.307 -3.806 332 2HB SER 42 1HB SER 42 6.042 8.209 -5.343 333 HG SER 42 HG SER 42 4.246 7.753 -3.463 334 H SER 43 H SER 43 7.476 7.317 -2.344 335 HA SER 43 HA SER 43 6.745 5.227 -0.429 336 1HB SER 43 2HB SER 43 8.937 7.309 -0.257 337 2HB SER 43 1HB SER 43 8.685 5.963 0.856 338 HG SER 43 HG SER 43 8.781 4.971 -1.603 339 H ASP 44 H ASP 44 5.484 8.024 -1.325 340 HA ASP 44 HA ASP 44 5.072 9.145 1.343 341 1HB ASP 44 2HB ASP 44 5.475 10.544 -0.818 342 2HB ASP 44 1HB ASP 44 3.793 10.175 -1.184 343 HA PRO 45 HA PRO 45 1.537 6.510 1.758 344 1HB PRO 45 2HB PRO 45 0.701 8.351 3.900 345 2HB PRO 45 1HB PRO 45 1.094 6.632 3.985 346 1HG PRO 45 2HG PRO 45 2.724 8.524 4.995 347 2HG PRO 45 1HG PRO 45 3.341 7.023 4.286 348 1HD PRO 45 2HD PRO 45 3.258 9.774 3.129 349 2HD PRO 45 1HD PRO 45 4.505 8.519 2.974 350 H ARG 46 H ARG 46 1.192 10.001 1.815 351 HA ARG 46 HA ARG 46 -0.715 10.540 0.018 352 1HB ARG 46 2HB ARG 46 -2.166 8.839 1.200 353 2HB ARG 46 1HB ARG 46 -2.148 9.881 2.615 354 1HG ARG 46 2HG ARG 46 -3.473 11.495 1.597 355 2HG ARG 46 1HG ARG 46 -3.122 10.898 -0.027 356 1HD ARG 46 2HD ARG 46 -5.406 10.335 0.708 357 2HD ARG 46 1HD ARG 46 -4.432 8.907 0.376 358 HE ARG 46 HE ARG 46 -4.338 9.609 3.133 359 1HH1 ARG 46 1HH1 ARG 46 -6.368 8.072 0.728 360 2HH1 ARG 46 2HH1 ARG 46 -7.209 7.089 1.887 361 1HH2 ARG 46 1HH2 ARG 46 -5.478 8.286 4.659 362 2HH2 ARG 46 2HH2 ARG 46 -6.713 7.198 4.090 363 H ARG 47 H ARG 47 -0.040 10.877 3.423 364 HA ARG 47 HA ARG 47 1.133 13.404 3.228 365 1HB ARG 47 2HB ARG 47 -1.118 14.313 2.983 366 2HB ARG 47 1HB ARG 47 -1.676 13.392 4.374 367 1HG ARG 47 2HG ARG 47 -0.280 14.700 5.852 368 2HG ARG 47 1HG ARG 47 0.405 15.569 4.481 369 1HD ARG 47 2HD ARG 47 -1.725 16.574 3.986 370 2HD ARG 47 1HD ARG 47 -2.518 15.592 5.216 371 HE ARG 47 HE ARG 47 -1.275 16.851 6.890 372 1HH1 ARG 47 1HH1 ARG 47 -1.342 18.194 3.663 373 2HH1 ARG 47 2HH1 ARG 47 -1.059 19.825 4.186 374 1HH2 ARG 47 1HH2 ARG 47 -0.943 18.994 7.605 375 2HH2 ARG 47 2HH2 ARG 47 -0.878 20.282 6.440 376 H THR 48 H THR 48 2.551 13.420 4.879 377 HA THR 48 HA THR 48 2.554 11.412 6.844 378 HB THR 48 HB THR 48 4.654 12.358 6.233 379 HG1 THR 48 1HG THR 48 5.406 12.277 8.217 380 1HG2 THR 48 1HG2 THR 48 3.599 15.005 7.226 381 2HG2 THR 48 2HG2 THR 48 3.952 14.580 5.552 382 3HG2 THR 48 3HG2 THR 48 5.263 14.696 6.727 383 HA PRO 49 HA PRO 49 -0.139 13.481 9.739 384 1HB PRO 49 2HB PRO 49 -0.595 11.103 11.125 385 2HB PRO 49 1HB PRO 49 -1.550 11.710 9.773 386 1HG PRO 49 2HG PRO 49 0.086 9.392 9.815 387 2HG PRO 49 1HG PRO 49 -0.741 10.095 8.416 388 1HD PRO 49 2HD PRO 49 2.094 10.340 9.256 389 2HD PRO 49 1HD PRO 49 1.382 10.423 7.630 390 H GLU 50 H GLU 50 2.924 12.533 10.076 391 HA GLU 50 HA GLU 50 4.545 12.897 11.614 392 1HB GLU 50 2HB GLU 50 3.120 14.923 12.173 393 2HB GLU 50 1HB GLU 50 2.446 13.977 13.491 394 1HG GLU 50 2HG GLU 50 4.158 15.321 14.410 395 2HG GLU 50 1HG GLU 50 4.781 13.673 14.344 396 H VAL 51 H VAL 51 1.630 11.916 13.435 397 HA VAL 51 HA VAL 51 2.854 10.383 15.401 398 HB VAL 51 HB VAL 51 0.175 9.817 14.109 399 1HG1 VAL 51 1HG1 VAL 51 1.248 9.105 16.835 400 2HG1 VAL 51 2HG1 VAL 51 0.922 7.986 15.512 401 3HG1 VAL 51 3HG1 VAL 51 -0.408 8.846 16.289 402 1HG2 VAL 51 1HG2 VAL 51 -0.761 11.235 15.890 403 2HG2 VAL 51 2HG2 VAL 51 0.319 12.136 14.826 404 3HG2 VAL 51 3HG2 VAL 51 0.876 11.628 16.419 405 H SER 52 H SER 52 1.602 9.329 12.250 406 HA SER 52 HA SER 52 3.486 7.078 12.385 407 1HB SER 52 2HB SER 52 1.120 6.298 12.411 408 2HB SER 52 1HB SER 52 0.852 7.127 10.878 409 HG SER 52 HG SER 52 2.553 5.769 10.011 410 H ASP 53 H ASP 53 4.970 8.702 11.569 411 HA ASP 53 HA ASP 53 4.654 10.088 9.158 412 1HB ASP 53 2HB ASP 53 6.400 10.562 10.864 413 2HB ASP 53 1HB ASP 53 7.226 9.081 10.394 414 H ASN 54 H ASN 54 6.041 6.924 9.864 415 HA ASN 54 HA ASN 54 6.551 6.395 7.057 416 1HB ASN 54 2HB ASN 54 6.942 4.823 9.595 417 2HB ASN 54 1HB ASN 54 7.098 4.054 8.020 418 1HD2 ASN 54 1HD2 ASN 54 8.020 7.381 8.555 419 2HD2 ASN 54 2HD2 ASN 54 9.724 7.128 8.437 420 HA PRO 55 HA PRO 55 2.575 4.659 6.222 421 1HB PRO 55 2HB PRO 55 3.743 3.087 4.069 422 2HB PRO 55 1HB PRO 55 2.713 4.516 3.968 423 1HG PRO 55 2HG PRO 55 5.334 4.530 3.259 424 2HG PRO 55 1HG PRO 55 4.491 5.957 3.889 425 1HD PRO 55 2HD PRO 55 6.324 4.057 5.305 426 2HD PRO 55 1HD PRO 55 6.231 5.829 5.417 427 H VAL 56 H VAL 56 3.859 3.273 8.309 428 HA VAL 56 HA VAL 56 4.145 0.490 7.694 429 HB VAL 56 HB VAL 56 3.749 1.732 10.423 430 1HG1 VAL 56 1HG1 VAL 56 5.030 -0.211 11.214 431 2HG1 VAL 56 2HG1 VAL 56 5.087 -0.835 9.566 432 3HG1 VAL 56 3HG1 VAL 56 3.541 -0.695 10.402 433 1HG2 VAL 56 1HG2 VAL 56 6.326 1.301 8.916 434 2HG2 VAL 56 2HG2 VAL 56 6.179 1.877 10.575 435 3HG2 VAL 56 3HG2 VAL 56 5.571 2.860 9.245 436 H MET 57 H MET 57 1.476 2.520 8.328 437 HA MET 57 HA MET 57 -0.271 0.817 9.689 438 1HB MET 57 2HB MET 57 -0.851 3.025 7.717 439 2HB MET 57 1HB MET 57 -2.093 2.207 8.655 440 1HG MET 57 2HG MET 57 -0.982 2.946 10.722 441 2HG MET 57 1HG MET 57 0.203 3.816 9.750 442 1HE MET 57 1HE MET 57 -0.403 5.957 8.238 443 2HE MET 57 2HE MET 57 -2.061 6.502 7.979 444 3HE MET 57 3HE MET 57 -1.550 4.920 7.388 445 H ILE 58 H ILE 58 0.530 0.968 6.271 446 HA ILE 58 HA ILE 58 -1.689 -0.570 5.384 447 HB ILE 58 HB ILE 58 0.973 -0.045 4.029 448 1HG1 ILE 58 2HG1 ILE 58 -0.641 1.348 2.529 449 2HG1 ILE 58 1HG1 ILE 58 -1.728 1.268 3.913 450 1HG2 ILE 58 1HG2 ILE 58 -1.523 -1.288 2.884 451 2HG2 ILE 58 2HG2 ILE 58 0.022 -2.095 3.151 452 3HG2 ILE 58 3HG2 ILE 58 -0.102 -0.800 1.960 453 1HD1 ILE 58 1HD1 ILE 58 1.059 2.412 3.931 454 2HD1 ILE 58 2HD1 ILE 58 -0.060 2.367 5.296 455 3HD1 ILE 58 3HD1 ILE 58 -0.443 3.336 3.875 456 H ALA 59 H ALA 59 1.364 -1.377 6.798 457 HA ALA 59 HA ALA 59 1.578 -4.048 5.866 458 1HB ALA 59 1HB ALA 59 3.213 -4.346 7.646 459 2HB ALA 59 2HB ALA 59 2.709 -2.823 8.381 460 3HB ALA 59 3HB ALA 59 3.483 -2.825 6.794 461 H GLU 60 H GLU 60 0.286 -2.652 8.867 462 HA GLU 60 HA GLU 60 -0.593 -5.156 9.900 463 1HB GLU 60 2HB GLU 60 -0.857 -2.313 10.686 464 2HB GLU 60 1HB GLU 60 -2.109 -3.400 11.267 465 1HG GLU 60 2HG GLU 60 -0.275 -3.130 12.869 466 2HG GLU 60 1HG GLU 60 -0.474 -4.798 12.339 467 H LEU 61 H LEU 61 -1.998 -2.690 7.885 468 HA LEU 61 HA LEU 61 -4.689 -3.311 7.896 469 1HB LEU 61 2HB LEU 61 -3.595 -1.493 6.604 470 2HB LEU 61 1HB LEU 61 -2.983 -2.682 5.485 471 HG LEU 61 HG LEU 61 -5.303 -3.272 4.865 472 1HD1 LEU 61 1HD1 LEU 61 -7.133 -1.803 5.536 473 2HD1 LEU 61 2HD1 LEU 61 -6.039 -0.921 6.602 474 3HD1 LEU 61 3HD1 LEU 61 -6.417 -2.613 6.930 475 1HD2 LEU 61 1HD2 LEU 61 -4.033 -1.670 3.540 476 2HD2 LEU 61 2HD2 LEU 61 -4.603 -0.355 4.566 477 3HD2 LEU 61 3HD2 LEU 61 -5.746 -1.252 3.567 478 H LEU 62 H LEU 62 -2.117 -4.720 5.958 479 HA LEU 62 HA LEU 62 -3.529 -6.662 4.566 480 1HB LEU 62 2HB LEU 62 -1.034 -5.956 4.456 481 2HB LEU 62 1HB LEU 62 -0.788 -7.172 5.692 482 HG LEU 62 HG LEU 62 -1.942 -7.742 2.952 483 1HD1 LEU 62 1HD1 LEU 62 0.851 -8.157 4.007 484 2HD1 LEU 62 2HD1 LEU 62 0.362 -6.991 2.778 485 3HD1 LEU 62 3HD1 LEU 62 0.243 -8.719 2.449 486 1HD2 LEU 62 1HD2 LEU 62 -2.614 -9.367 4.653 487 2HD2 LEU 62 2HD2 LEU 62 -0.924 -9.602 5.101 488 3HD2 LEU 62 3HD2 LEU 62 -1.486 -10.079 3.498 489 H ARG 63 H ARG 63 -2.016 -6.891 7.779 490 HA ARG 63 HA ARG 63 -2.526 -9.633 8.158 491 1HB ARG 63 2HB ARG 63 -2.255 -7.572 10.343 492 2HB ARG 63 1HB ARG 63 -1.944 -9.295 10.464 493 1HG ARG 63 2HG ARG 63 -0.081 -8.962 8.803 494 2HG ARG 63 1HG ARG 63 -0.323 -7.223 9.012 495 1HD ARG 63 2HD ARG 63 -0.109 -7.696 11.521 496 2HD ARG 63 1HD ARG 63 0.550 -9.257 11.041 497 HE ARG 63 HE ARG 63 1.757 -6.646 10.361 498 1HH1 ARG 63 1HH1 ARG 63 2.019 -10.086 10.972 499 2HH1 ARG 63 2HH1 ARG 63 3.746 -10.059 11.141 500 1HH2 ARG 63 1HH2 ARG 63 4.044 -6.598 10.536 501 2HH2 ARG 63 2HH2 ARG 63 4.903 -8.073 10.855 502 H GLU 64 H GLU 64 -4.315 -6.762 9.286 503 HA GLU 64 HA GLU 64 -6.273 -8.504 10.547 504 1HB GLU 64 2HB GLU 64 -7.145 -6.421 11.528 505 2HB GLU 64 1HB GLU 64 -5.448 -6.682 11.882 506 1HG GLU 64 2HG GLU 64 -4.894 -5.097 10.051 507 2HG GLU 64 1HG GLU 64 -6.617 -4.768 9.877 508 H PHE 65 H PHE 65 -6.066 -8.100 7.561 509 HA PHE 65 HA PHE 65 -8.623 -6.888 6.925 510 1HB PHE 65 2HB PHE 65 -6.381 -7.130 5.454 511 2HB PHE 65 1HB PHE 65 -7.205 -8.597 4.940 512 HD1 PHE 65 1HD PHE 65 -8.668 -8.478 3.162 513 HD2 PHE 65 2HD PHE 65 -7.841 -4.960 5.405 514 HE1 PHE 65 1HE PHE 65 -10.007 -7.154 1.575 515 HE2 PHE 65 2HE PHE 65 -9.183 -3.631 3.831 516 HZ PHE 65 HZ PHE 65 -10.265 -4.728 1.912 517 HA PRO 66 HA PRO 66 -10.378 -10.870 8.024 518 1HB PRO 66 2HB PRO 66 -12.971 -9.648 8.087 519 2HB PRO 66 1HB PRO 66 -11.941 -10.093 9.448 520 1HG PRO 66 2HG PRO 66 -12.569 -7.504 8.745 521 2HG PRO 66 1HG PRO 66 -11.145 -7.974 9.692 522 1HD PRO 66 2HD PRO 66 -11.357 -7.319 6.779 523 2HD PRO 66 1HD PRO 66 -10.074 -6.909 7.939 524 H GLN 67 H GLN 67 -10.630 -9.294 5.161 525 HA GLN 67 HA GLN 67 -12.889 -10.772 4.095 526 1HB GLN 67 2HB GLN 67 -10.974 -8.875 2.721 527 2HB GLN 67 1HB GLN 67 -12.436 -9.549 2.010 528 1HG GLN 67 2HG GLN 67 -12.342 -7.757 4.425 529 2HG GLN 67 1HG GLN 67 -12.730 -7.243 2.784 530 1HE2 GLN 67 1HE2 GLN 67 -14.213 -9.702 2.216 531 2HE2 GLN 67 2HE2 GLN 67 -15.723 -9.553 3.048 532 H PHE 68 H PHE 68 -9.446 -10.432 3.212 533 HA PHE 68 HA PHE 68 -9.178 -13.235 2.714 534 1HB PHE 68 2HB PHE 68 -8.545 -12.899 0.273 535 2HB PHE 68 1HB PHE 68 -10.260 -12.826 0.649 536 HD1 PHE 68 1HD PHE 68 -7.633 -10.180 0.987 537 HD2 PHE 68 2HD PHE 68 -11.187 -11.489 -0.963 538 HE1 PHE 68 1HE PHE 68 -7.794 -8.015 -0.161 539 HE2 PHE 68 2HE PHE 68 -11.352 -9.321 -2.112 540 HZ PHE 68 HZ PHE 68 -9.660 -7.582 -1.709 541 H ASP 69 H ASP 69 -7.007 -13.206 1.017 542 HA ASP 69 HA ASP 69 -5.040 -11.561 2.458 543 1HB ASP 69 2HB ASP 69 -3.394 -13.299 2.086 544 2HB ASP 69 1HB ASP 69 -4.807 -14.014 2.857 545 H TRP 70 H TRP 70 -3.368 -10.646 1.239 546 HA TRP 70 HA TRP 70 -3.384 -10.818 -1.628 547 1HB TRP 70 2HB TRP 70 -3.721 -8.341 -1.894 548 2HB TRP 70 1HB TRP 70 -5.159 -9.239 -1.448 549 HD1 TRP 70 HD TRP 70 -3.397 -8.918 1.703 550 HE1 TRP 70 1HE TRP 70 -4.213 -6.885 3.048 551 HE3 TRP 70 3HE TRP 70 -5.870 -6.426 -2.016 552 HZ2 TRP 70 2HZ TRP 70 -5.701 -4.531 2.594 553 HZ3 TRP 70 3HZ TRP 70 -6.963 -4.289 -1.473 554 HH2 TRP 70 HH TRP 70 -6.880 -3.363 0.785 555 H GLN 71 H GLN 71 -1.662 -9.456 -2.594 556 HA GLN 71 HA GLN 71 0.600 -9.333 -0.732 557 1HB GLN 71 2HB GLN 71 0.508 -9.542 -3.742 558 2HB GLN 71 1HB GLN 71 1.989 -9.274 -2.839 559 1HG GLN 71 2HG GLN 71 1.985 -11.557 -3.239 560 2HG GLN 71 1HG GLN 71 1.404 -11.422 -1.583 561 1HE2 GLN 71 1HE2 GLN 71 -0.529 -10.702 -4.402 562 2HE2 GLN 71 2HE2 GLN 71 -1.611 -12.039 -4.241 563 H VAL 72 H VAL 72 1.114 -7.404 0.026 564 HA VAL 72 HA VAL 72 0.335 -5.008 -1.433 565 HB VAL 72 HB VAL 72 1.559 -5.333 1.313 566 1HG1 VAL 72 1HG1 VAL 72 2.167 -3.184 0.318 567 2HG1 VAL 72 2HG1 VAL 72 1.017 -2.969 1.639 568 3HG1 VAL 72 3HG1 VAL 72 0.468 -2.861 -0.032 569 1HG2 VAL 72 1HG2 VAL 72 -0.726 -6.188 1.168 570 2HG2 VAL 72 2HG2 VAL 72 -1.261 -4.658 0.469 571 3HG2 VAL 72 3HG2 VAL 72 -0.667 -4.708 2.129 572 H ALA 73 H ALA 73 1.702 -3.709 -2.488 573 HA ALA 73 HA ALA 73 4.597 -4.078 -2.096 574 1HB ALA 73 1HB ALA 73 3.943 -5.211 -4.156 575 2HB ALA 73 2HB ALA 73 4.956 -3.806 -4.487 576 3HB ALA 73 3HB ALA 73 3.214 -3.720 -4.752 577 H VAL 74 H VAL 74 5.844 -2.210 -2.430 578 HA VAL 74 HA VAL 74 4.299 0.291 -2.564 579 HB VAL 74 HB VAL 74 5.240 -0.032 -0.316 580 1HG1 VAL 74 1HG1 VAL 74 7.912 -0.143 -1.707 581 2HG1 VAL 74 2HG1 VAL 74 7.112 -1.468 -0.862 582 3HG1 VAL 74 3HG1 VAL 74 7.667 -0.057 0.039 583 1HG2 VAL 74 1HG2 VAL 74 6.657 2.123 -1.880 584 2HG2 VAL 74 2HG2 VAL 74 6.500 2.071 -0.125 585 3HG2 VAL 74 3HG2 VAL 74 5.063 2.243 -1.135 586 H ALA 75 H ALA 75 5.200 1.973 -3.800 587 HA ALA 75 HA ALA 75 6.804 0.930 -5.974 588 1HB ALA 75 1HB ALA 75 6.141 2.919 -7.167 589 2HB ALA 75 2HB ALA 75 5.443 3.595 -5.694 590 3HB ALA 75 3HB ALA 75 4.736 2.153 -6.422 591 H ASP 76 H ASP 76 8.573 2.131 -6.893 592 HA ASP 76 HA ASP 76 10.570 2.602 -4.964 593 1HB ASP 76 2HB ASP 76 11.046 1.681 -7.177 594 2HB ASP 76 1HB ASP 76 10.576 3.197 -7.931 595 H LEU 77 H LEU 77 10.348 5.029 -7.529 596 HA LEU 77 HA LEU 77 9.671 7.114 -5.609 597 1HB LEU 77 2HB LEU 77 12.078 6.747 -5.277 598 2HB LEU 77 1HB LEU 77 12.358 7.038 -6.983 599 HG LEU 77 HG LEU 77 11.559 9.360 -6.697 600 1HD1 LEU 77 1HD1 LEU 77 11.300 10.260 -4.435 601 2HD1 LEU 77 2HD1 LEU 77 11.477 8.635 -3.770 602 3HD1 LEU 77 3HD1 LEU 77 10.090 9.028 -4.788 603 1HD2 LEU 77 1HD2 LEU 77 13.929 8.873 -6.600 604 2HD2 LEU 77 2HD2 LEU 77 13.807 8.520 -4.876 605 3HD2 LEU 77 3HD2 LEU 77 13.521 10.159 -5.463 606 H GLU 78 H GLU 78 11.448 7.157 -8.685 607 HA GLU 78 HA GLU 78 10.139 9.419 -9.681 608 1HB GLU 78 2HB GLU 78 11.643 7.271 -11.179 609 2HB GLU 78 1HB GLU 78 11.267 8.874 -11.781 610 1HG GLU 78 2HG GLU 78 13.031 8.249 -9.430 611 2HG GLU 78 1HG GLU 78 13.576 8.723 -11.037 612 H GLN 79 H GLN 79 9.411 6.052 -9.880 613 HA GLN 79 HA GLN 79 7.848 5.824 -12.123 614 1HB GLN 79 2HB GLN 79 6.597 4.050 -10.690 615 2HB GLN 79 1HB GLN 79 8.288 3.839 -11.085 616 1HG GLN 79 2HG GLN 79 7.993 3.225 -8.819 617 2HG GLN 79 1HG GLN 79 8.887 4.736 -8.859 618 1HE2 GLN 79 1HE2 GLN 79 8.344 5.378 -6.826 619 2HE2 GLN 79 2HE2 GLN 79 6.745 5.839 -6.373 620 H SER 80 H SER 80 6.972 7.301 -9.115 621 HA SER 80 HA SER 80 4.228 7.254 -9.142 622 1HB SER 80 2HB SER 80 5.649 8.251 -7.353 623 2HB SER 80 1HB SER 80 5.929 9.646 -8.394 624 HG SER 80 HG SER 80 3.950 9.299 -6.726 625 H GLU 81 H GLU 81 6.375 9.223 -11.094 626 HA GLU 81 HA GLU 81 4.498 11.080 -12.071 627 1HB GLU 81 2HB GLU 81 7.055 11.141 -12.203 628 2HB GLU 81 1HB GLU 81 6.907 10.059 -13.579 629 1HG GLU 81 2HG GLU 81 7.147 12.256 -14.420 630 2HG GLU 81 1HG GLU 81 5.468 11.779 -14.675 631 H ALA 82 H ALA 82 5.713 8.035 -13.440 632 HA ALA 82 HA ALA 82 4.023 8.233 -15.748 633 1HB ALA 82 1HB ALA 82 4.968 6.073 -16.374 634 2HB ALA 82 2HB ALA 82 5.723 5.936 -14.784 635 3HB ALA 82 3HB ALA 82 6.229 7.210 -15.896 636 H ILE 83 H ILE 83 4.026 6.270 -12.775 637 HA ILE 83 HA ILE 83 1.949 4.526 -13.491 638 HB ILE 83 HB ILE 83 2.765 5.517 -10.755 639 1HG1 ILE 83 2HG1 ILE 83 3.353 2.969 -12.276 640 2HG1 ILE 83 1HG1 ILE 83 4.499 4.250 -11.897 641 1HG2 ILE 83 1HG2 ILE 83 0.457 4.759 -10.677 642 2HG2 ILE 83 2HG2 ILE 83 1.513 3.616 -9.847 643 3HG2 ILE 83 3HG2 ILE 83 0.910 3.245 -11.462 644 1HD1 ILE 83 1HD1 ILE 83 4.278 3.741 -9.522 645 2HD1 ILE 83 2HD1 ILE 83 4.791 2.326 -10.440 646 3HD1 ILE 83 3HD1 ILE 83 3.118 2.469 -9.899 647 H GLY 84 H GLY 84 1.840 7.678 -11.874 648 1HA GLY 84 2HA GLY 84 -0.935 7.688 -11.365 649 2HA GLY 84 1HA GLY 84 0.098 9.107 -11.449 650 H ASP 85 H ASP 85 0.939 8.636 -14.175 651 HA ASP 85 HA ASP 85 -1.264 9.978 -15.461 652 1HB ASP 85 2HB ASP 85 1.202 10.528 -15.773 653 2HB ASP 85 1HB ASP 85 1.311 9.071 -16.747 654 H ARG 86 H ARG 86 0.284 6.872 -15.569 655 HA ARG 86 HA ARG 86 -0.492 5.716 -17.897 656 1HB ARG 86 2HB ARG 86 0.890 4.526 -16.375 657 2HB ARG 86 1HB ARG 86 -0.341 4.548 -15.126 658 1HG ARG 86 2HG ARG 86 -0.210 2.346 -16.035 659 2HG ARG 86 1HG ARG 86 -1.737 3.071 -16.533 660 1HD ARG 86 2HD ARG 86 -0.710 3.622 -18.722 661 2HD ARG 86 1HD ARG 86 0.757 2.782 -18.210 662 HE ARG 86 HE ARG 86 -1.807 1.580 -18.927 663 1HH1 ARG 86 1HH1 ARG 86 1.462 1.165 -17.742 664 2HH1 ARG 86 2HH1 ARG 86 1.443 -0.568 -17.903 665 1HH2 ARG 86 1HH2 ARG 86 -1.830 -0.704 -19.149 666 2HH2 ARG 86 2HH2 ARG 86 -0.424 -1.626 -18.681 667 H PHE 87 H PHE 87 -2.457 5.739 -14.925 668 HA PHE 87 HA PHE 87 -4.766 5.118 -16.653 669 1HB PHE 87 2HB PHE 87 -5.716 4.069 -14.427 670 2HB PHE 87 1HB PHE 87 -4.699 3.139 -15.517 671 HD1 PHE 87 1HD PHE 87 -4.618 5.169 -12.415 672 HD2 PHE 87 2HD PHE 87 -2.733 2.158 -14.756 673 HE1 PHE 87 1HE PHE 87 -3.087 4.684 -10.557 674 HE2 PHE 87 2HE PHE 87 -1.196 1.668 -12.898 675 HZ PHE 87 HZ PHE 87 -1.375 2.932 -10.792 676 H ASN 88 H ASN 88 -3.485 7.542 -15.298 677 HA ASN 88 HA ASN 88 -4.205 9.611 -14.806 678 1HB ASN 88 2HB ASN 88 -5.775 9.131 -16.689 679 2HB ASN 88 1HB ASN 88 -6.975 8.635 -15.499 680 1HD2 ASN 88 1HD2 ASN 88 -5.112 11.310 -16.745 681 2HD2 ASN 88 2HD2 ASN 88 -6.112 12.567 -16.095 682 H VAL 89 H VAL 89 -3.616 9.091 -12.617 683 HA VAL 89 HA VAL 89 -5.924 9.155 -10.777 684 HB VAL 89 HB VAL 89 -3.016 9.056 -9.960 685 1HG1 VAL 89 1HG1 VAL 89 -5.553 8.222 -8.559 686 2HG1 VAL 89 2HG1 VAL 89 -4.575 9.645 -8.200 687 3HG1 VAL 89 3HG1 VAL 89 -3.923 8.031 -7.913 688 1HG2 VAL 89 1HG2 VAL 89 -3.392 7.165 -11.438 689 2HG2 VAL 89 2HG2 VAL 89 -4.809 6.697 -10.499 690 3HG2 VAL 89 3HG2 VAL 89 -3.206 6.627 -9.770 691 H ARG 90 H ARG 90 -4.566 11.208 -12.656 692 HA ARG 90 HA ARG 90 -4.190 13.435 -12.763 693 1HB ARG 90 2HB ARG 90 -6.196 13.461 -11.118 694 2HB ARG 90 1HB ARG 90 -4.986 13.748 -9.874 695 1HG ARG 90 2HG ARG 90 -4.212 15.684 -11.391 696 2HG ARG 90 1HG ARG 90 -5.789 15.495 -12.161 697 1HD ARG 90 2HD ARG 90 -6.103 17.143 -10.518 698 2HD ARG 90 1HD ARG 90 -6.777 15.667 -9.826 699 HE ARG 90 HE ARG 90 -4.191 15.707 -8.942 700 1HH1 ARG 90 1HH1 ARG 90 -6.890 17.921 -8.775 701 2HH1 ARG 90 2HH1 ARG 90 -6.368 18.661 -7.293 702 1HH2 ARG 90 1HH2 ARG 90 -3.493 16.656 -6.997 703 2HH2 ARG 90 2HH2 ARG 90 -4.444 17.919 -6.255 704 H ARG 91 H ARG 91 -2.358 11.359 -11.555 705 HA ARG 91 HA ARG 91 -0.231 11.201 -10.799 706 1HB ARG 91 2HB ARG 91 -0.023 12.989 -12.591 707 2HB ARG 91 1HB ARG 91 -0.044 14.173 -11.298 708 1HG ARG 91 2HG ARG 91 1.941 12.029 -11.004 709 2HG ARG 91 1HG ARG 91 2.187 13.115 -12.372 710 1HD ARG 91 2HD ARG 91 1.726 14.962 -10.559 711 2HD ARG 91 1HD ARG 91 2.234 13.689 -9.451 712 HE ARG 91 HE ARG 91 4.082 13.905 -11.581 713 1HH1 ARG 91 1HH1 ARG 91 3.033 15.600 -8.699 714 2HH1 ARG 91 2HH1 ARG 91 4.554 16.406 -8.457 715 1HH2 ARG 91 1HH2 ARG 91 6.072 14.948 -11.284 716 2HH2 ARG 91 2HH2 ARG 91 6.288 16.045 -9.940 717 H PHE 92 H PHE 92 -1.093 10.718 -8.707 718 HA PHE 92 HA PHE 92 -0.345 12.642 -6.660 719 1HB PHE 92 2HB PHE 92 -2.728 13.123 -7.173 720 2HB PHE 92 1HB PHE 92 -3.129 11.448 -6.816 721 HD1 PHE 92 1HD PHE 92 -1.832 14.578 -5.332 722 HD2 PHE 92 2HD PHE 92 -3.547 10.751 -4.612 723 HE1 PHE 92 1HE PHE 92 -2.171 15.178 -2.970 724 HE2 PHE 92 2HE PHE 92 -3.885 11.342 -2.248 725 HZ PHE 92 HZ PHE 92 -3.196 13.560 -1.424 726 HA PRO 93 HA PRO 93 1.042 8.789 -4.878 727 1HB PRO 93 2HB PRO 93 1.273 10.262 -2.355 728 2HB PRO 93 1HB PRO 93 2.536 9.509 -3.331 729 1HG PRO 93 2HG PRO 93 2.279 12.183 -3.138 730 2HG PRO 93 1HG PRO 93 2.843 11.394 -4.621 731 1HD PRO 93 2HD PRO 93 0.130 12.482 -3.969 732 2HD PRO 93 1HD PRO 93 1.055 12.597 -5.483 733 H ALA 94 H ALA 94 -0.422 7.281 -4.461 734 HA ALA 94 HA ALA 94 -1.855 7.276 -1.979 735 1HB ALA 94 1HB ALA 94 -3.403 8.608 -3.321 736 2HB ALA 94 2HB ALA 94 -4.095 7.027 -2.953 737 3HB ALA 94 3HB ALA 94 -3.433 7.348 -4.555 738 H THR 95 H THR 95 -3.486 5.220 -2.175 739 HA THR 95 HA THR 95 -1.804 3.067 -3.269 740 HB THR 95 HB THR 95 -3.842 2.836 -1.048 741 HG1 THR 95 1HG THR 95 -1.336 3.883 -1.026 742 1HG2 THR 95 1HG2 THR 95 -1.592 1.011 -1.912 743 2HG2 THR 95 2HG2 THR 95 -3.306 0.748 -2.235 744 3HG2 THR 95 3HG2 THR 95 -2.707 0.725 -0.577 745 H LEU 96 H LEU 96 -2.593 2.194 -5.074 746 HA LEU 96 HA LEU 96 -5.441 2.295 -5.649 747 1HB LEU 96 2HB LEU 96 -3.022 1.421 -7.228 748 2HB LEU 96 1HB LEU 96 -4.654 1.183 -7.804 749 HG LEU 96 HG LEU 96 -3.331 3.183 -8.679 750 1HD1 LEU 96 1HD1 LEU 96 -6.087 3.606 -7.547 751 2HD1 LEU 96 2HD1 LEU 96 -5.698 2.861 -9.097 752 3HD1 LEU 96 3HD1 LEU 96 -5.339 4.566 -8.825 753 1HD2 LEU 96 1HD2 LEU 96 -2.493 4.068 -6.588 754 2HD2 LEU 96 2HD2 LEU 96 -4.141 4.335 -6.021 755 3HD2 LEU 96 3HD2 LEU 96 -3.522 5.253 -7.393 756 H VAL 97 H VAL 97 -6.768 0.544 -5.714 757 HA VAL 97 HA VAL 97 -5.759 -1.871 -4.404 758 HB VAL 97 HB VAL 97 -8.616 -1.040 -4.939 759 1HG1 VAL 97 1HG1 VAL 97 -8.380 -3.447 -4.685 760 2HG1 VAL 97 2HG1 VAL 97 -9.192 -2.756 -3.279 761 3HG1 VAL 97 3HG1 VAL 97 -7.493 -3.218 -3.177 762 1HG2 VAL 97 1HG2 VAL 97 -6.988 -0.816 -2.409 763 2HG2 VAL 97 2HG2 VAL 97 -8.706 -0.447 -2.566 764 3HG2 VAL 97 3HG2 VAL 97 -7.512 0.522 -3.429 765 H PHE 98 H PHE 98 -5.368 -3.664 -5.527 766 HA PHE 98 HA PHE 98 -6.707 -4.005 -8.132 767 1HB PHE 98 2HB PHE 98 -3.874 -4.758 -7.375 768 2HB PHE 98 1HB PHE 98 -4.656 -5.200 -8.887 769 HD1 PHE 98 1HD PHE 98 -3.343 -2.400 -6.894 770 HD2 PHE 98 2HD PHE 98 -4.850 -3.656 -10.669 771 HE1 PHE 98 1HE PHE 98 -2.573 -0.294 -7.900 772 HE2 PHE 98 2HE PHE 98 -4.075 -1.553 -11.677 773 HZ PHE 98 HZ PHE 98 -2.944 0.133 -10.292 774 H THR 99 H THR 99 -8.247 -5.494 -7.652 775 HA THR 99 HA THR 99 -7.232 -8.084 -6.696 776 HB THR 99 HB THR 99 -9.469 -8.614 -5.816 777 HG1 THR 99 1HG THR 99 -10.977 -7.411 -6.718 778 1HG2 THR 99 1HG2 THR 99 -7.836 -7.682 -4.268 779 2HG2 THR 99 2HG2 THR 99 -9.455 -7.119 -3.859 780 3HG2 THR 99 3HG2 THR 99 -8.336 -6.047 -4.700 781 H ASP 100 H ASP 100 -8.294 -9.939 -7.697 782 HA ASP 100 HA ASP 100 -9.088 -11.110 -9.496 783 1HB ASP 100 2HB ASP 100 -10.399 -8.470 -10.189 784 2HB ASP 100 1HB ASP 100 -10.613 -9.936 -11.126 785 H GLY 101 H GLY 101 -6.644 -9.241 -9.482 786 1HA GLY 101 2HA GLY 101 -4.952 -8.671 -10.929 787 2HA GLY 101 1HA GLY 101 -5.761 -9.639 -12.158 788 H LYS 102 H LYS 102 -7.594 -7.162 -10.617 789 HA LYS 102 HA LYS 102 -7.241 -5.414 -12.958 790 1HB LYS 102 2HB LYS 102 -9.250 -7.055 -12.991 791 2HB LYS 102 1HB LYS 102 -9.940 -5.991 -11.777 792 1HG LYS 102 2HG LYS 102 -9.866 -4.132 -13.327 793 2HG LYS 102 1HG LYS 102 -9.091 -5.152 -14.541 794 1HD LYS 102 2HD LYS 102 -11.102 -6.668 -14.369 795 2HD LYS 102 1HD LYS 102 -11.868 -5.401 -13.415 796 1HE LYS 102 2HE LYS 102 -11.594 -3.843 -15.287 797 2HE LYS 102 1HE LYS 102 -10.849 -5.128 -16.238 798 1HZ LYS 102 1HZ LYS 102 -12.923 -6.398 -16.008 799 2HZ LYS 102 2HZ LYS 102 -13.158 -4.929 -16.812 800 3HZ LYS 102 3HZ LYS 102 -13.627 -5.089 -15.193 801 H LEU 103 H LEU 103 -7.599 -3.211 -12.588 802 HA LEU 103 HA LEU 103 -7.247 -2.282 -9.923 803 1HB LEU 103 2HB LEU 103 -6.373 -1.058 -11.850 804 2HB LEU 103 1HB LEU 103 -8.003 -0.781 -12.433 805 HG LEU 103 HG LEU 103 -8.475 0.617 -10.479 806 1HD1 LEU 103 1HD1 LEU 103 -7.027 -0.444 -8.856 807 2HD1 LEU 103 2HD1 LEU 103 -6.656 1.277 -8.973 808 3HD1 LEU 103 3HD1 LEU 103 -5.603 0.093 -9.746 809 1HD2 LEU 103 1HD2 LEU 103 -6.976 2.489 -11.045 810 2HD2 LEU 103 2HD2 LEU 103 -7.637 1.696 -12.474 811 3HD2 LEU 103 3HD2 LEU 103 -5.975 1.378 -11.979 812 H ARG 104 H ARG 104 -8.720 -1.959 -8.407 813 HA ARG 104 HA ARG 104 -11.548 -1.960 -9.203 814 1HB ARG 104 2HB ARG 104 -10.200 -2.652 -6.596 815 2HB ARG 104 1HB ARG 104 -11.945 -2.528 -6.780 816 1HG ARG 104 2HG ARG 104 -10.137 -4.445 -8.239 817 2HG ARG 104 1HG ARG 104 -11.226 -4.839 -6.906 818 1HD ARG 104 2HD ARG 104 -13.108 -3.994 -8.342 819 2HD ARG 104 1HD ARG 104 -11.957 -3.907 -9.674 820 HE ARG 104 HE ARG 104 -11.903 -6.489 -8.532 821 1HH1 ARG 104 1HH1 ARG 104 -13.825 -4.423 -10.596 822 2HH1 ARG 104 2HH1 ARG 104 -14.701 -5.741 -11.325 823 1HH2 ARG 104 1HH2 ARG 104 -13.028 -8.232 -9.477 824 2HH2 ARG 104 2HH2 ARG 104 -14.255 -7.912 -10.676 825 H GLY 105 H GLY 105 -9.142 -0.085 -7.473 826 1HA GLY 105 2HA GLY 105 -10.417 2.352 -7.784 827 2HA GLY 105 1HA GLY 105 -10.992 1.713 -6.252 828 H ALA 106 H ALA 106 -9.951 3.676 -5.401 829 HA ALA 106 HA ALA 106 -7.224 3.092 -4.575 830 1HB ALA 106 1HB ALA 106 -7.942 5.717 -5.883 831 2HB ALA 106 2HB ALA 106 -6.956 4.451 -6.610 832 3HB ALA 106 3HB ALA 106 -6.384 5.298 -5.172 833 H LEU 107 H LEU 107 -6.520 4.523 -2.804 834 HA LEU 107 HA LEU 107 -8.741 5.072 -1.027 835 1HB LEU 107 2HB LEU 107 -5.789 4.848 -0.723 836 2HB LEU 107 1HB LEU 107 -6.665 5.792 0.463 837 HG LEU 107 HG LEU 107 -6.321 3.533 1.257 838 1HD1 LEU 107 1HD1 LEU 107 -8.342 4.685 1.948 839 2HD1 LEU 107 2HD1 LEU 107 -8.637 2.954 1.789 840 3HD1 LEU 107 3HD1 LEU 107 -9.200 4.062 0.538 841 1HD2 LEU 107 1HD2 LEU 107 -6.154 2.374 -0.870 842 2HD2 LEU 107 2HD2 LEU 107 -7.868 2.660 -1.179 843 3HD2 LEU 107 3HD2 LEU 107 -7.374 1.617 0.155 844 H SER 108 H SER 108 -9.751 6.903 -1.748 845 HA SER 108 HA SER 108 -8.135 9.348 -1.941 846 1HB SER 108 2HB SER 108 -11.001 8.969 -2.833 847 2HB SER 108 1HB SER 108 -9.909 10.293 -3.251 848 HG SER 108 HG SER 108 -8.613 8.752 -4.362 849 H GLY 109 H GLY 109 -8.509 11.069 -0.616 850 1HA GLY 109 2HA GLY 109 -10.063 12.321 0.795 851 2HA GLY 109 1HA GLY 109 -10.655 10.773 1.384 852 H ILE 110 H ILE 110 -9.935 12.579 3.233 853 HA ILE 110 HA ILE 110 -7.409 11.444 4.249 854 HB ILE 110 HB ILE 110 -8.427 14.245 4.802 855 1HG1 ILE 110 2HG1 ILE 110 -6.066 13.313 3.146 856 2HG1 ILE 110 1HG1 ILE 110 -7.554 14.007 2.509 857 1HG2 ILE 110 1HG2 ILE 110 -5.886 12.854 5.648 858 2HG2 ILE 110 2HG2 ILE 110 -7.236 13.291 6.695 859 3HG2 ILE 110 3HG2 ILE 110 -6.265 14.552 5.934 860 1HD1 ILE 110 1HD1 ILE 110 -5.612 15.433 4.309 861 2HD1 ILE 110 2HD1 ILE 110 -7.057 16.121 3.568 862 3HD1 ILE 110 3HD1 ILE 110 -5.703 15.611 2.558 863 H HIS 111 H HIS 111 -8.458 9.839 5.373 864 HA HIS 111 HA HIS 111 -9.771 10.677 7.827 865 1HB HIS 111 2HB HIS 111 -11.116 9.257 5.598 866 2HB HIS 111 1HB HIS 111 -11.403 8.607 7.208 867 HD1 HIS 111 1HD HIS 111 -11.976 11.717 5.143 868 HD2 HIS 111 2HD HIS 111 -13.039 10.110 8.823 869 HE1 HIS 111 1HE HIS 111 -13.800 13.195 6.025 870 HE2 HIS 111 2HE HIS 111 -14.153 12.391 8.388 871 HA PRO 112 HA PRO 112 -7.465 7.141 9.228 872 1HB PRO 112 2HB PRO 112 -8.834 7.109 11.735 873 2HB PRO 112 1HB PRO 112 -7.265 7.827 11.372 874 1HG PRO 112 2HG PRO 112 -9.543 9.249 12.053 875 2HG PRO 112 1HG PRO 112 -8.133 9.919 11.214 876 1HD PRO 112 2HD PRO 112 -10.758 9.020 10.099 877 2HD PRO 112 1HD PRO 112 -9.731 10.388 9.615 878 H TRP 113 H TRP 113 -8.451 5.630 7.789 879 HA TRP 113 HA TRP 113 -9.254 3.526 7.464 880 1HB TRP 113 2HB TRP 113 -8.797 3.355 10.029 881 2HB TRP 113 1HB TRP 113 -10.542 3.501 10.180 882 HD1 TRP 113 HD TRP 113 -11.972 1.512 8.791 883 HE1 TRP 113 1HE TRP 113 -11.400 -0.988 8.593 884 HE3 TRP 113 3HE TRP 113 -7.003 1.721 9.968 885 HZ2 TRP 113 2HZ TRP 113 -9.148 -2.650 8.897 886 HZ3 TRP 113 3HZ TRP 113 -5.712 -0.374 9.997 887 HH2 TRP 113 HH TRP 113 -6.764 -2.512 9.474 888 H ALA 114 H ALA 114 -11.110 6.218 8.225 889 HA ALA 114 HA ALA 114 -13.716 5.083 8.025 890 1HB ALA 114 1HB ALA 114 -14.514 7.375 7.988 891 2HB ALA 114 2HB ALA 114 -12.867 7.959 7.745 892 3HB ALA 114 3HB ALA 114 -13.304 7.151 9.253 893 H GLU 115 H GLU 115 -11.371 6.033 5.694 894 HA GLU 115 HA GLU 115 -13.368 6.268 3.586 895 1HB GLU 115 2HB GLU 115 -10.862 6.125 2.356 896 2HB GLU 115 1HB GLU 115 -11.813 7.570 2.659 897 1HG GLU 115 2HG GLU 115 -9.685 8.040 3.499 898 2HG GLU 115 1HG GLU 115 -10.666 7.679 4.916 899 H LEU 116 H LEU 116 -10.884 4.074 4.736 900 HA LEU 116 HA LEU 116 -11.103 2.031 2.852 901 1HB LEU 116 2HB LEU 116 -10.531 2.022 5.802 902 2HB LEU 116 1HB LEU 116 -10.551 0.536 4.873 903 HG LEU 116 HG LEU 116 -8.761 2.858 4.175 904 1HD1 LEU 116 1HD1 LEU 116 -6.972 1.664 5.321 905 2HD1 LEU 116 2HD1 LEU 116 -8.122 0.443 5.866 906 3HD1 LEU 116 3HD1 LEU 116 -8.256 2.103 6.450 907 1HD2 LEU 116 1HD2 LEU 116 -8.728 -0.071 3.455 908 2HD2 LEU 116 2HD2 LEU 116 -7.511 1.114 2.981 909 3HD2 LEU 116 3HD2 LEU 116 -9.165 1.260 2.386 910 H LEU 117 H LEU 117 -13.143 2.826 5.595 911 HA LEU 117 HA LEU 117 -14.638 0.520 5.846 912 1HB LEU 117 2HB LEU 117 -14.775 3.199 6.761 913 2HB LEU 117 1HB LEU 117 -16.366 2.772 6.161 914 HG LEU 117 HG LEU 117 -16.191 2.346 8.553 915 1HD1 LEU 117 1HD1 LEU 117 -17.647 0.912 7.238 916 2HD1 LEU 117 2HD1 LEU 117 -16.915 0.010 8.566 917 3HD1 LEU 117 3HD1 LEU 117 -16.303 -0.185 6.925 918 1HD2 LEU 117 1HD2 LEU 117 -13.980 0.440 7.801 919 2HD2 LEU 117 2HD2 LEU 117 -14.681 0.626 9.409 920 3HD2 LEU 117 3HD2 LEU 117 -13.789 1.960 8.676 921 H THR 118 H THR 118 -15.513 3.377 3.899 922 HA THR 118 HA THR 118 -17.825 2.152 2.810 923 HB THR 118 HB THR 118 -16.369 4.476 1.551 924 HG1 THR 118 1HG THR 118 -16.933 5.718 3.195 925 1HG2 THR 118 1HG2 THR 118 -18.342 3.596 0.381 926 2HG2 THR 118 2HG2 THR 118 -18.638 5.215 1.013 927 3HG2 THR 118 3HG2 THR 118 -19.302 3.808 1.845 928 H LEU 119 H LEU 119 -14.504 2.545 1.639 929 HA LEU 119 HA LEU 119 -14.996 1.621 -0.987 930 1HB LEU 119 2HB LEU 119 -12.465 1.662 0.650 931 2HB LEU 119 1HB LEU 119 -12.523 1.232 -1.047 932 HG LEU 119 HG LEU 119 -13.295 3.912 0.106 933 1HD1 LEU 119 1HD1 LEU 119 -10.896 3.074 -1.511 934 2HD1 LEU 119 2HD1 LEU 119 -10.897 3.518 0.195 935 3HD1 LEU 119 3HD1 LEU 119 -11.293 4.723 -1.030 936 1HD2 LEU 119 1HD2 LEU 119 -13.128 2.985 -2.760 937 2HD2 LEU 119 2HD2 LEU 119 -13.444 4.636 -2.224 938 3HD2 LEU 119 3HD2 LEU 119 -14.607 3.355 -1.872 939 H MET 120 H MET 120 -13.995 -0.003 1.985 940 HA MET 120 HA MET 120 -13.607 -2.577 0.975 941 1HB MET 120 2HB MET 120 -13.003 -1.953 3.255 942 2HB MET 120 1HB MET 120 -14.692 -1.713 3.663 943 1HG MET 120 2HG MET 120 -15.126 -4.081 3.358 944 2HG MET 120 1HG MET 120 -13.448 -4.341 2.890 945 1HE MET 120 1HE MET 120 -15.867 -3.288 5.807 946 2HE MET 120 2HE MET 120 -14.760 -1.919 5.698 947 3HE MET 120 3HE MET 120 -14.722 -2.972 7.112 948 H ARG 121 H ARG 121 -16.548 -0.954 2.059 949 HA ARG 121 HA ARG 121 -18.317 -3.109 1.891 950 1HB ARG 121 2HB ARG 121 -18.929 -1.025 2.988 951 2HB ARG 121 1HB ARG 121 -18.811 -0.159 1.465 952 1HG ARG 121 2HG ARG 121 -21.126 -0.567 2.056 953 2HG ARG 121 1HG ARG 121 -20.692 -1.421 0.575 954 1HD ARG 121 2HD ARG 121 -21.983 -2.928 1.855 955 2HD ARG 121 1HD ARG 121 -20.310 -3.462 2.006 956 HE ARG 121 HE ARG 121 -20.919 -1.743 4.143 957 1HH1 ARG 121 1HH1 ARG 121 -21.677 -4.950 2.963 958 2HH1 ARG 121 2HH1 ARG 121 -22.056 -5.585 4.533 959 1HH2 ARG 121 1HH2 ARG 121 -21.413 -2.559 6.216 960 2HH2 ARG 121 2HH2 ARG 121 -21.915 -4.220 6.396 961 H SER 122 H SER 122 -17.399 -0.721 -0.587 962 HA SER 122 HA SER 122 -19.166 -1.733 -2.545 963 1HB SER 122 2HB SER 122 -16.743 0.057 -2.781 964 2HB SER 122 1HB SER 122 -17.993 -0.156 -3.985 965 HG SER 122 HG SER 122 -18.412 1.700 -2.802 966 H ILE 123 H ILE 123 -15.687 -2.156 -1.913 967 HA ILE 123 HA ILE 123 -15.291 -3.471 -4.450 968 HB ILE 123 HB ILE 123 -13.358 -3.053 -2.171 969 1HG1 ILE 123 2HG1 ILE 123 -14.069 -0.934 -3.084 970 2HG1 ILE 123 1HG1 ILE 123 -12.442 -1.274 -3.663 971 1HG2 ILE 123 1HG2 ILE 123 -12.683 -4.924 -3.567 972 2HG2 ILE 123 2HG2 ILE 123 -11.615 -3.544 -3.826 973 3HG2 ILE 123 3HG2 ILE 123 -12.862 -3.930 -5.013 974 1HD1 ILE 123 1HD1 ILE 123 -13.794 -0.342 -5.432 975 2HD1 ILE 123 2HD1 ILE 123 -14.999 -1.612 -5.220 976 3HD1 ILE 123 3HD1 ILE 123 -13.386 -2.016 -5.805 977 H VAL 124 H VAL 124 -15.364 -4.488 -1.045 978 HA VAL 124 HA VAL 124 -15.246 -7.253 -2.015 979 HB VAL 124 HB VAL 124 -14.071 -7.865 0.133 980 1HG1 VAL 124 1HG1 VAL 124 -12.908 -7.754 -2.001 981 2HG1 VAL 124 2HG1 VAL 124 -11.863 -7.184 -0.700 982 3HG1 VAL 124 3HG1 VAL 124 -12.638 -6.026 -1.781 983 1HG2 VAL 124 1HG2 VAL 124 -12.796 -6.083 1.251 984 2HG2 VAL 124 2HG2 VAL 124 -14.538 -5.869 1.430 985 3HG2 VAL 124 3HG2 VAL 124 -13.642 -4.883 0.276 986 H ASP 125 H ASP 125 -17.519 -6.954 -2.043 987 HA ASP 125 HA ASP 125 -19.046 -6.665 0.350 988 1HB ASP 125 2HB ASP 125 -19.872 -6.064 -1.905 989 2HB ASP 125 1HB ASP 125 -19.834 -7.761 -2.361 990 H THR 126 H THR 126 -17.162 -9.142 -0.741 991 HA THR 126 HA THR 126 -18.626 -11.483 -0.348 992 HB THR 126 HB THR 126 -16.347 -12.508 0.117 993 HG1 THR 126 1HG THR 126 -15.696 -10.126 0.764 994 1HG2 THR 126 1HG2 THR 126 -16.654 -10.779 -2.341 995 2HG2 THR 126 2HG2 THR 126 -17.282 -12.415 -2.136 996 3HG2 THR 126 3HG2 THR 126 -15.542 -12.138 -2.175 997 HA PRO 127 HA PRO 127 -18.942 -11.405 4.129 998 1HB PRO 127 2HB PRO 127 -20.475 -13.585 4.408 999 2HB PRO 127 1HB PRO 127 -21.117 -12.086 3.723 1000 1HG PRO 127 2HG PRO 127 -20.258 -14.588 2.337 1001 2HG PRO 127 1HG PRO 127 -21.626 -13.520 1.978 1002 1HD PRO 127 2HD PRO 127 -19.187 -13.503 0.653 1003 2HD PRO 127 1HD PRO 127 -20.355 -12.169 0.664 1004 H ALA 128 H ALA 128 -18.044 -12.470 5.867 1005 HA ALA 128 HA ALA 128 -16.931 -15.085 5.743 1006 1HB ALA 128 1HB ALA 128 -15.248 -13.925 4.370 1007 2HB ALA 128 2HB ALA 128 -14.569 -14.522 5.885 1008 3HB ALA 128 3HB ALA 128 -14.946 -12.809 5.704 1009 H ALA 129 H ALA 129 -15.818 -12.097 7.278 1010 HA ALA 129 HA ALA 129 -17.169 -12.668 9.759 1011 1HB ALA 129 1HB ALA 129 -14.145 -12.653 9.680 1012 2HB ALA 129 2HB ALA 129 -15.152 -14.070 9.981 1013 3HB ALA 129 3HB ALA 129 -15.143 -12.733 11.130 1014 H GLN 130 H GLN 130 -17.771 -10.705 10.579 1015 HA GLN 130 HA GLN 130 -16.194 -8.378 9.762 1016 1HB GLN 130 2HB GLN 130 -17.959 -8.741 8.066 1017 2HB GLN 130 1HB GLN 130 -19.173 -8.591 9.329 1018 1HG GLN 130 2HG GLN 130 -18.889 -6.540 7.992 1019 2HG GLN 130 1HG GLN 130 -18.575 -6.298 9.710 1020 1HE2 GLN 130 1HE2 GLN 130 -17.134 -6.551 6.541 1021 2HE2 GLN 130 2HE2 GLN 130 -15.622 -5.828 6.956 1022 H GLU 131 H GLU 131 -15.616 -7.568 11.616 1023 HA GLU 131 HA GLU 131 -17.733 -6.477 13.305 1024 1HB GLU 131 2HB GLU 131 -16.826 -8.449 14.516 1025 2HB GLU 131 1HB GLU 131 -15.211 -7.765 14.394 1026 1HG GLU 131 2HG GLU 131 -15.896 -5.863 15.745 1027 2HG GLU 131 1HG GLU 131 -17.531 -6.509 15.844 1028 H THR 132 H THR 132 -17.502 -4.401 12.698 1029 HA THR 132 HA THR 132 -14.850 -3.431 11.988 1030 HB THR 132 HB THR 132 -17.423 -1.890 11.742 1031 HG1 THR 132 1HG THR 132 -16.442 -4.045 10.197 1032 1HG2 THR 132 1HG2 THR 132 -16.239 -0.827 9.876 1033 2HG2 THR 132 2HG2 THR 132 -14.834 -1.849 10.184 1034 3HG2 THR 132 3HG2 THR 132 -15.339 -0.659 11.384 1035 H VAL 133 H VAL 133 -13.781 -2.950 13.852 1036 HA VAL 133 HA VAL 133 -14.983 -1.377 15.936 1037 HB VAL 133 HB VAL 133 -12.050 -1.972 15.485 1038 1HG1 VAL 133 1HG1 VAL 133 -12.423 -0.097 17.001 1039 2HG1 VAL 133 2HG1 VAL 133 -11.822 -1.501 17.881 1040 3HG1 VAL 133 3HG1 VAL 133 -13.530 -1.081 17.961 1041 1HG2 VAL 133 1HG2 VAL 133 -12.346 -3.786 17.105 1042 2HG2 VAL 133 2HG2 VAL 133 -13.332 -4.038 15.665 1043 3HG2 VAL 133 3HG2 VAL 133 -14.078 -3.458 17.154 1044 H GLN 134 H GLN 134 -15.517 0.658 15.482 1045 HA GLN 134 HA GLN 134 -13.672 2.255 13.827 1046 1HB GLN 134 2HB GLN 134 -15.609 3.666 13.285 1047 2HB GLN 134 1HB GLN 134 -15.894 1.989 12.840 1048 1HG GLN 134 2HG GLN 134 -17.216 1.677 14.873 1049 2HG GLN 134 1HG GLN 134 -16.939 3.362 15.305 1050 1HE2 GLN 134 1HE2 GLN 134 -19.441 1.986 14.853 1051 2HE2 GLN 134 2HE2 GLN 134 -20.234 2.817 13.549 Start of MODEL 20 1 1H MET 1 1HT MET 1 16.622 16.799 -4.209 2 2H MET 1 2HT MET 1 15.867 16.098 -2.864 3 3H MET 1 3HT MET 1 14.944 16.514 -4.223 4 HA MET 1 HA MET 1 15.265 14.171 -4.205 5 1HB MET 1 2HB MET 1 17.069 15.519 -6.233 6 2HB MET 1 1HB MET 1 16.483 13.865 -6.353 7 1HG MET 1 2HG MET 1 14.781 16.345 -6.349 8 2HG MET 1 1HG MET 1 15.201 15.380 -7.764 9 1HE MET 1 1HE MET 1 12.204 16.131 -7.042 10 2HE MET 1 2HE MET 1 11.409 14.584 -7.328 11 3HE MET 1 3HE MET 1 12.667 15.151 -8.432 12 H ALA 2 H ALA 2 18.533 15.400 -4.943 13 HA ALA 2 HA ALA 2 19.601 13.957 -2.649 14 1HB ALA 2 1HB ALA 2 20.537 13.430 -5.473 15 2HB ALA 2 2HB ALA 2 19.676 12.297 -4.430 16 3HB ALA 2 3HB ALA 2 21.306 12.821 -4.007 17 H ASN 3 H ASN 3 21.739 14.587 -2.117 18 HA ASN 3 HA ASN 3 23.308 16.431 -3.502 19 1HB ASN 3 2HB ASN 3 23.039 18.469 -2.207 20 2HB ASN 3 1HB ASN 3 21.497 18.048 -2.934 21 1HD2 ASN 3 1HD2 ASN 3 22.302 19.648 -0.533 22 2HD2 ASN 3 2HD2 ASN 3 21.358 18.991 0.768 23 H ASP 4 H ASP 4 22.228 15.190 -0.424 24 HA ASP 4 HA ASP 4 25.038 14.781 0.361 25 1HB ASP 4 2HB ASP 4 23.563 16.242 1.860 26 2HB ASP 4 1HB ASP 4 22.645 14.786 2.219 27 H THR 5 H THR 5 24.457 12.769 2.325 28 HA THR 5 HA THR 5 24.375 10.522 0.597 29 HB THR 5 HB THR 5 25.682 10.535 2.695 30 HG1 THR 5 1HG THR 5 25.038 8.533 1.762 31 1HG2 THR 5 1HG2 THR 5 22.989 10.366 4.058 32 2HG2 THR 5 2HG2 THR 5 24.117 11.717 4.150 33 3HG2 THR 5 3HG2 THR 5 24.552 10.156 4.848 34 HA PRO 6 HA PRO 6 19.999 10.038 0.232 35 1HB PRO 6 2HB PRO 6 19.978 7.456 -0.655 36 2HB PRO 6 1HB PRO 6 20.397 8.837 -1.672 37 1HG PRO 6 2HG PRO 6 22.198 6.910 -0.261 38 2HG PRO 6 1HG PRO 6 22.332 7.574 -1.899 39 1HD PRO 6 2HD PRO 6 23.798 8.521 0.155 40 2HD PRO 6 1HD PRO 6 23.220 9.571 -1.155 41 H PHE 7 H PHE 7 18.234 8.576 0.911 42 HA PHE 7 HA PHE 7 18.795 7.583 3.627 43 1HB PHE 7 2HB PHE 7 16.144 8.389 2.401 44 2HB PHE 7 1HB PHE 7 16.430 7.968 4.086 45 HD1 PHE 7 1HD PHE 7 16.434 10.579 1.636 46 HD2 PHE 7 2HD PHE 7 17.936 9.460 5.457 47 HE1 PHE 7 1HE PHE 7 16.911 12.940 2.131 48 HE2 PHE 7 2HE PHE 7 18.409 11.823 5.965 49 HZ PHE 7 HZ PHE 7 17.898 13.566 4.298 50 H SER 8 H SER 8 19.284 6.057 1.211 51 HA SER 8 HA SER 8 17.214 4.283 0.570 52 1HB SER 8 2HB SER 8 20.182 3.753 0.379 53 2HB SER 8 1HB SER 8 18.903 3.014 -0.588 54 HG SER 8 HG SER 8 18.431 5.227 -1.310 55 H ALA 9 H ALA 9 19.208 4.402 3.339 56 HA ALA 9 HA ALA 9 19.440 1.696 4.023 57 1HB ALA 9 1HB ALA 9 19.217 4.082 5.855 58 2HB ALA 9 2HB ALA 9 20.702 3.465 5.133 59 3HB ALA 9 3HB ALA 9 19.819 2.487 6.305 60 H LEU 10 H LEU 10 16.763 3.902 4.261 61 HA LEU 10 HA LEU 10 15.273 2.510 6.231 62 1HB LEU 10 2HB LEU 10 14.310 4.368 4.053 63 2HB LEU 10 1HB LEU 10 13.379 3.872 5.454 64 HG LEU 10 HG LEU 10 15.924 5.495 5.547 65 1HD1 LEU 10 1HD1 LEU 10 14.087 6.761 4.581 66 2HD1 LEU 10 2HD1 LEU 10 14.471 7.347 6.198 67 3HD1 LEU 10 3HD1 LEU 10 13.054 6.328 5.944 68 1HD2 LEU 10 1HD2 LEU 10 15.339 5.823 7.913 69 2HD2 LEU 10 2HD2 LEU 10 15.643 4.128 7.532 70 3HD2 LEU 10 3HD2 LEU 10 13.988 4.704 7.721 71 H TRP 11 H TRP 11 15.703 2.097 2.822 72 HA TRP 11 HA TRP 11 13.301 0.708 2.261 73 1HB TRP 11 2HB TRP 11 15.016 1.821 0.651 74 2HB TRP 11 1HB TRP 11 15.850 0.273 0.736 75 HD1 TRP 11 HD TRP 11 14.858 -1.715 -0.659 76 HE1 TRP 11 1HE TRP 11 12.918 -1.917 -2.340 77 HE3 TRP 11 3HE TRP 11 12.610 2.798 0.160 78 HZ2 TRP 11 2HZ TRP 11 10.729 -0.361 -3.211 79 HZ3 TRP 11 3HZ TRP 11 10.599 3.368 -1.142 80 HH2 TRP 11 HH TRP 11 9.681 1.821 -2.792 81 H GLN 12 H GLN 12 16.393 -0.263 3.537 82 HA GLN 12 HA GLN 12 16.343 -3.017 3.179 83 1HB GLN 12 2HB GLN 12 18.235 -1.760 4.129 84 2HB GLN 12 1HB GLN 12 17.303 -1.464 5.589 85 1HG GLN 12 2HG GLN 12 17.186 -3.971 5.874 86 2HG GLN 12 1HG GLN 12 18.386 -4.078 4.587 87 1HE2 GLN 12 1HE2 GLN 12 20.471 -3.289 4.949 88 2HE2 GLN 12 2HE2 GLN 12 21.068 -2.975 6.551 89 H ARG 13 H ARG 13 14.776 -1.022 5.620 90 HA ARG 13 HA ARG 13 13.812 -3.144 7.228 91 1HB ARG 13 2HB ARG 13 12.952 -0.271 6.918 92 2HB ARG 13 1HB ARG 13 12.149 -1.369 8.025 93 1HG ARG 13 2HG ARG 13 13.706 -0.070 9.270 94 2HG ARG 13 1HG ARG 13 14.334 -1.715 9.172 95 1HD ARG 13 2HD ARG 13 15.973 -1.101 7.589 96 2HD ARG 13 1HD ARG 13 15.188 0.444 7.258 97 HE ARG 13 HE ARG 13 15.793 0.675 9.860 98 1HH1 ARG 13 1HH1 ARG 13 17.776 -0.402 7.166 99 2HH1 ARG 13 2HH1 ARG 13 19.231 0.260 7.829 100 1HH2 ARG 13 1HH2 ARG 13 17.683 1.570 10.684 101 2HH2 ARG 13 2HH2 ARG 13 19.184 1.408 9.814 102 H LEU 14 H LEU 14 12.513 -1.383 4.482 103 HA LEU 14 HA LEU 14 9.901 -2.481 4.601 104 1HB LEU 14 2HB LEU 14 11.353 -1.319 2.224 105 2HB LEU 14 1HB LEU 14 9.620 -1.544 2.373 106 HG LEU 14 HG LEU 14 11.305 0.345 4.017 107 1HD1 LEU 14 1HD1 LEU 14 11.012 1.099 1.728 108 2HD1 LEU 14 2HD1 LEU 14 10.063 2.091 2.833 109 3HD1 LEU 14 3HD1 LEU 14 9.268 0.857 1.856 110 1HD2 LEU 14 1HD2 LEU 14 9.198 1.128 4.950 111 2HD2 LEU 14 2HD2 LEU 14 9.434 -0.584 5.300 112 3HD2 LEU 14 3HD2 LEU 14 8.319 -0.088 4.026 113 H LEU 15 H LEU 15 12.809 -3.303 2.738 114 HA LEU 15 HA LEU 15 11.739 -5.405 1.232 115 1HB LEU 15 2HB LEU 15 14.534 -4.986 2.292 116 2HB LEU 15 1HB LEU 15 14.104 -6.241 1.149 117 HG LEU 15 HG LEU 15 13.840 -3.275 0.650 118 1HD1 LEU 15 1HD1 LEU 15 15.829 -5.277 -0.415 119 2HD1 LEU 15 2HD1 LEU 15 16.169 -4.017 0.770 120 3HD1 LEU 15 3HD1 LEU 15 15.714 -3.578 -0.876 121 1HD2 LEU 15 1HD2 LEU 15 13.395 -3.951 -1.665 122 2HD2 LEU 15 2HD2 LEU 15 12.170 -4.575 -0.560 123 3HD2 LEU 15 3HD2 LEU 15 13.430 -5.646 -1.174 124 H THR 16 H THR 16 12.885 -5.281 4.528 125 HA THR 16 HA THR 16 12.988 -8.088 4.953 126 HB THR 16 HB THR 16 12.633 -5.894 7.010 127 HG1 THR 16 1HG THR 16 14.529 -5.606 5.708 128 1HG2 THR 16 1HG2 THR 16 13.696 -8.711 7.266 129 2HG2 THR 16 2HG2 THR 16 12.164 -8.112 7.902 130 3HG2 THR 16 3HG2 THR 16 13.687 -7.499 8.546 131 H ARG 17 H ARG 17 10.425 -5.720 5.024 132 HA ARG 17 HA ARG 17 8.607 -7.595 6.325 133 1HB ARG 17 2HB ARG 17 8.405 -4.690 5.615 134 2HB ARG 17 1HB ARG 17 6.964 -5.623 5.987 135 1HG ARG 17 2HG ARG 17 9.327 -5.430 7.838 136 2HG ARG 17 1HG ARG 17 7.945 -4.337 7.902 137 1HD ARG 17 2HD ARG 17 7.577 -6.039 9.529 138 2HD ARG 17 1HD ARG 17 6.475 -6.348 8.190 139 HE ARG 17 HE ARG 17 8.984 -7.846 8.644 140 1HH1 ARG 17 1HH1 ARG 17 5.639 -7.696 7.638 141 2HH1 ARG 17 2HH1 ARG 17 5.532 -9.385 7.243 142 1HH2 ARG 17 1HH2 ARG 17 8.862 -10.085 8.134 143 2HH2 ARG 17 2HH2 ARG 17 7.373 -10.744 7.527 144 H GLY 18 H GLY 18 9.658 -7.077 3.245 145 1HA GLY 18 2HA GLY 18 8.927 -8.526 1.516 146 2HA GLY 18 1HA GLY 18 7.336 -8.567 2.256 147 H TRP 19 H TRP 19 8.628 -5.426 2.033 148 HA TRP 19 HA TRP 19 6.646 -4.641 0.122 149 1HB TRP 19 2HB TRP 19 8.902 -3.193 1.481 150 2HB TRP 19 1HB TRP 19 7.928 -2.418 0.243 151 HD1 TRP 19 HD TRP 19 6.384 -4.729 2.908 152 HE1 TRP 19 1HE TRP 19 4.799 -3.320 4.368 153 HE3 TRP 19 3HE TRP 19 7.469 -0.102 1.043 154 HZ2 TRP 19 2HZ TRP 19 4.103 -0.594 4.683 155 HZ3 TRP 19 3HZ TRP 19 6.306 1.853 1.972 156 HH2 TRP 19 HH TRP 19 4.657 1.612 3.752 157 H GLN 20 H GLN 20 6.789 -4.647 -1.990 158 HA GLN 20 HA GLN 20 9.436 -4.997 -3.225 159 1HB GLN 20 2HB GLN 20 7.931 -6.910 -3.535 160 2HB GLN 20 1HB GLN 20 6.711 -5.851 -4.229 161 1HG GLN 20 2HG GLN 20 8.131 -5.387 -6.124 162 2HG GLN 20 1HG GLN 20 9.437 -6.329 -5.407 163 1HE2 GLN 20 1HE2 GLN 20 9.538 -7.704 -7.169 164 2HE2 GLN 20 2HE2 GLN 20 8.332 -8.906 -7.468 165 HA PRO 21 HA PRO 21 8.649 -1.059 -5.207 166 1HB PRO 21 2HB PRO 21 11.048 -1.511 -6.764 167 2HB PRO 21 1HB PRO 21 10.791 -0.368 -5.444 168 1HG PRO 21 2HG PRO 21 12.435 -2.541 -5.264 169 2HG PRO 21 1HG PRO 21 11.620 -1.803 -3.872 170 1HD PRO 21 2HD PRO 21 10.876 -4.256 -5.427 171 2HD PRO 21 1HD PRO 21 10.817 -3.969 -3.673 172 H VAL 22 H VAL 22 7.437 -0.638 -6.951 173 HA VAL 22 HA VAL 22 7.667 -2.447 -9.267 174 HB VAL 22 HB VAL 22 5.237 -1.936 -9.712 175 1HG1 VAL 22 1HG1 VAL 22 4.434 -3.628 -8.144 176 2HG1 VAL 22 2HG1 VAL 22 5.903 -3.445 -7.186 177 3HG1 VAL 22 3HG1 VAL 22 5.996 -4.081 -8.829 178 1HG2 VAL 22 1HG2 VAL 22 4.971 0.013 -8.301 179 2HG2 VAL 22 2HG2 VAL 22 5.364 -0.936 -6.868 180 3HG2 VAL 22 3HG2 VAL 22 3.881 -1.265 -7.761 181 H GLU 23 H GLU 23 6.270 -1.329 -11.155 182 HA GLU 23 HA GLU 23 7.050 1.469 -11.453 183 1HB GLU 23 2HB GLU 23 7.992 -0.775 -13.235 184 2HB GLU 23 1HB GLU 23 7.915 0.888 -13.791 185 1HG GLU 23 2HG GLU 23 9.440 1.491 -11.896 186 2HG GLU 23 1HG GLU 23 9.631 -0.239 -11.600 187 H ALA 24 H ALA 24 6.290 2.216 -13.741 188 HA ALA 24 HA ALA 24 3.493 1.508 -13.964 189 1HB ALA 24 1HB ALA 24 4.275 3.845 -14.100 190 2HB ALA 24 2HB ALA 24 3.339 3.348 -15.510 191 3HB ALA 24 3HB ALA 24 5.099 3.455 -15.611 192 H SER 25 H SER 25 6.439 0.687 -15.507 193 HA SER 25 HA SER 25 5.302 -0.019 -18.045 194 1HB SER 25 2HB SER 25 7.990 -0.854 -16.954 195 2HB SER 25 1HB SER 25 7.515 -0.668 -18.644 196 HG SER 25 HG SER 25 8.065 1.349 -18.509 197 H THR 26 H THR 26 6.367 -1.746 -15.155 198 HA THR 26 HA THR 26 5.652 -4.296 -16.383 199 HB THR 26 HB THR 26 7.847 -4.087 -15.234 200 HG1 THR 26 1HG THR 26 5.938 -5.924 -14.203 201 1HG2 THR 26 1HG2 THR 26 7.927 -4.026 -12.787 202 2HG2 THR 26 2HG2 THR 26 6.175 -3.829 -12.730 203 3HG2 THR 26 3HG2 THR 26 7.181 -2.563 -13.434 204 H VAL 27 H VAL 27 3.920 -2.031 -14.882 205 HA VAL 27 HA VAL 27 2.769 -3.346 -12.673 206 HB VAL 27 HB VAL 27 2.578 -0.908 -13.020 207 1HG1 VAL 27 1HG1 VAL 27 0.875 -0.009 -14.534 208 2HG1 VAL 27 2HG1 VAL 27 0.593 -1.629 -15.170 209 3HG1 VAL 27 3HG1 VAL 27 2.158 -0.848 -15.408 210 1HG2 VAL 27 1HG2 VAL 27 1.078 -1.998 -11.462 211 2HG2 VAL 27 2HG2 VAL 27 -0.057 -2.352 -12.765 212 3HG2 VAL 27 3HG2 VAL 27 0.243 -0.681 -12.286 213 H ASP 28 H ASP 28 1.880 -3.264 -16.088 214 HA ASP 28 HA ASP 28 -0.582 -4.590 -15.915 215 1HB ASP 28 2HB ASP 28 1.444 -4.712 -18.163 216 2HB ASP 28 1HB ASP 28 -0.260 -5.128 -18.291 217 H ASP 29 H ASP 29 2.699 -5.799 -16.174 218 HA ASP 29 HA ASP 29 1.899 -8.533 -16.529 219 1HB ASP 29 2HB ASP 29 3.979 -7.676 -17.523 220 2HB ASP 29 1HB ASP 29 4.614 -7.340 -15.919 221 H TRP 30 H TRP 30 3.116 -6.559 -13.889 222 HA TRP 30 HA TRP 30 3.482 -8.636 -12.016 223 1HB TRP 30 2HB TRP 30 4.392 -6.288 -11.849 224 2HB TRP 30 1HB TRP 30 2.771 -5.756 -11.418 225 HD1 TRP 30 HD TRP 30 5.686 -7.854 -10.035 226 HE1 TRP 30 1HE TRP 30 5.446 -7.995 -7.471 227 HE3 TRP 30 3HE TRP 30 1.120 -5.607 -9.522 228 HZ2 TRP 30 2HZ TRP 30 3.569 -7.262 -5.506 229 HZ3 TRP 30 3HZ TRP 30 0.173 -5.371 -7.260 230 HH2 TRP 30 HH TRP 30 1.374 -6.181 -5.299 231 H ILE 31 H ILE 31 0.757 -6.440 -12.629 232 HA ILE 31 HA ILE 31 -0.864 -7.305 -10.521 233 HB ILE 31 HB ILE 31 -1.611 -6.044 -13.155 234 1HG1 ILE 31 2HG1 ILE 31 -0.285 -4.630 -11.697 235 2HG1 ILE 31 1HG1 ILE 31 -1.946 -4.043 -11.730 236 1HG2 ILE 31 1HG2 ILE 31 -3.810 -5.569 -12.180 237 2HG2 ILE 31 2HG2 ILE 31 -3.385 -6.526 -10.761 238 3HG2 ILE 31 3HG2 ILE 31 -3.532 -7.304 -12.337 239 1HD1 ILE 31 1HD1 ILE 31 -2.366 -5.096 -9.581 240 2HD1 ILE 31 2HD1 ILE 31 -1.010 -3.973 -9.490 241 3HD1 ILE 31 3HD1 ILE 31 -0.714 -5.711 -9.550 242 H LYS 32 H LYS 32 -0.762 -8.438 -13.906 243 HA LYS 32 HA LYS 32 -3.001 -10.150 -13.567 244 1HB LYS 32 2HB LYS 32 -2.370 -11.139 -15.714 245 2HB LYS 32 1HB LYS 32 -2.338 -9.385 -15.782 246 1HG LYS 32 2HG LYS 32 0.014 -9.342 -15.779 247 2HG LYS 32 1HG LYS 32 0.128 -11.036 -15.331 248 1HD LYS 32 2HD LYS 32 -0.783 -11.656 -17.453 249 2HD LYS 32 1HD LYS 32 -1.008 -9.976 -17.906 250 1HE LYS 32 2HE LYS 32 0.993 -10.955 -18.939 251 2HE LYS 32 1HE LYS 32 1.392 -9.625 -17.854 252 1HZ LYS 32 1HZ LYS 32 2.925 -11.326 -17.396 253 2HZ LYS 32 2HZ LYS 32 1.727 -12.533 -17.375 254 3HZ LYS 32 3HZ LYS 32 1.804 -11.390 -16.127 255 H ARG 33 H ARG 33 0.440 -10.585 -13.070 256 HA ARG 33 HA ARG 33 0.370 -13.439 -12.964 257 1HB ARG 33 2HB ARG 33 2.397 -11.906 -13.352 258 2HB ARG 33 1HB ARG 33 2.425 -11.707 -11.613 259 1HG ARG 33 2HG ARG 33 2.653 -14.141 -11.351 260 2HG ARG 33 1HG ARG 33 2.708 -14.306 -13.105 261 1HD ARG 33 2HD ARG 33 4.684 -12.878 -11.335 262 2HD ARG 33 1HD ARG 33 4.948 -14.356 -12.258 263 HE ARG 33 HE ARG 33 4.790 -11.627 -13.322 264 1HH1 ARG 33 1HH1 ARG 33 5.336 -15.050 -13.877 265 2HH1 ARG 33 2HH1 ARG 33 6.009 -14.815 -15.458 266 1HH2 ARG 33 1HH2 ARG 33 5.661 -11.322 -15.402 267 2HH2 ARG 33 2HH2 ARG 33 6.188 -12.705 -16.329 268 H VAL 34 H VAL 34 0.477 -10.887 -10.498 269 HA VAL 34 HA VAL 34 0.328 -12.831 -8.368 270 HB VAL 34 HB VAL 34 0.322 -10.963 -6.818 271 1HG1 VAL 34 1HG1 VAL 34 2.458 -11.667 -7.685 272 2HG1 VAL 34 2HG1 VAL 34 2.459 -9.915 -7.463 273 3HG1 VAL 34 3HG1 VAL 34 2.280 -10.601 -9.077 274 1HG2 VAL 34 1HG2 VAL 34 0.370 -8.638 -7.581 275 2HG2 VAL 34 2HG2 VAL 34 -1.137 -9.431 -8.042 276 3HG2 VAL 34 3HG2 VAL 34 0.126 -9.177 -9.244 277 H GLY 35 H GLY 35 -1.885 -10.634 -9.972 278 1HA GLY 35 2HA GLY 35 -4.179 -10.911 -10.203 279 2HA GLY 35 1HA GLY 35 -4.128 -12.177 -8.982 280 H ASP 36 H ASP 36 -3.076 -11.014 -6.840 281 HA ASP 36 HA ASP 36 -4.904 -8.783 -6.258 282 1HB ASP 36 2HB ASP 36 -4.106 -10.924 -4.278 283 2HB ASP 36 1HB ASP 36 -5.369 -9.716 -4.113 284 H GLY 37 H GLY 37 -3.850 -7.007 -5.681 285 1HA GLY 37 2HA GLY 37 -1.761 -6.964 -3.768 286 2HA GLY 37 1HA GLY 37 -1.085 -6.815 -5.384 287 H VAL 38 H VAL 38 -0.608 -4.746 -3.818 288 HA VAL 38 HA VAL 38 -2.445 -2.691 -4.842 289 HB VAL 38 HB VAL 38 -2.112 -1.386 -2.728 290 1HG1 VAL 38 1HG1 VAL 38 -3.755 -2.637 -1.413 291 2HG1 VAL 38 2HG1 VAL 38 -3.466 -4.065 -2.408 292 3HG1 VAL 38 3HG1 VAL 38 -4.180 -2.621 -3.125 293 1HG2 VAL 38 1HG2 VAL 38 -0.105 -2.519 -1.913 294 2HG2 VAL 38 2HG2 VAL 38 -1.025 -4.006 -1.687 295 3HG2 VAL 38 3HG2 VAL 38 -1.393 -2.584 -0.711 296 H ILE 39 H ILE 39 -1.499 -0.848 -5.582 297 HA ILE 39 HA ILE 39 1.441 -0.725 -5.446 298 HB ILE 39 HB ILE 39 -0.479 0.340 -7.520 299 1HG1 ILE 39 2HG1 ILE 39 1.201 -0.781 -9.055 300 2HG1 ILE 39 1HG1 ILE 39 1.947 -1.471 -7.621 301 1HG2 ILE 39 1HG2 ILE 39 1.008 2.176 -6.998 302 2HG2 ILE 39 2HG2 ILE 39 1.414 1.502 -8.576 303 3HG2 ILE 39 3HG2 ILE 39 2.413 1.124 -7.173 304 1HD1 ILE 39 1HD1 ILE 39 -0.179 -2.591 -7.097 305 2HD1 ILE 39 2HD1 ILE 39 0.484 -3.070 -8.659 306 3HD1 ILE 39 3HD1 ILE 39 -0.866 -1.936 -8.586 307 H LEU 40 H LEU 40 2.147 0.612 -3.972 308 HA LEU 40 HA LEU 40 0.569 2.950 -3.183 309 1HB LEU 40 2HB LEU 40 1.847 1.175 -1.654 310 2HB LEU 40 1HB LEU 40 3.195 2.248 -1.949 311 HG LEU 40 HG LEU 40 0.613 2.907 -0.540 312 1HD1 LEU 40 1HD1 LEU 40 2.114 3.385 1.338 313 2HD1 LEU 40 2HD1 LEU 40 3.487 2.867 0.359 314 3HD1 LEU 40 3HD1 LEU 40 2.232 1.709 0.802 315 1HD2 LEU 40 1HD2 LEU 40 2.870 4.770 -1.253 316 2HD2 LEU 40 2HD2 LEU 40 1.507 5.156 -0.205 317 3HD2 LEU 40 3HD2 LEU 40 1.236 4.817 -1.914 318 H LEU 41 H LEU 41 0.972 4.812 -4.200 319 HA LEU 41 HA LEU 41 3.454 5.259 -5.607 320 1HB LEU 41 2HB LEU 41 0.968 6.897 -5.180 321 2HB LEU 41 1HB LEU 41 2.403 7.609 -5.885 322 HG LEU 41 HG LEU 41 2.295 5.908 -7.710 323 1HD1 LEU 41 1HD1 LEU 41 0.239 4.645 -8.049 324 2HD1 LEU 41 2HD1 LEU 41 -0.390 5.241 -6.513 325 3HD1 LEU 41 3HD1 LEU 41 1.018 4.182 -6.534 326 1HD2 LEU 41 1HD2 LEU 41 1.420 8.125 -8.068 327 2HD2 LEU 41 2HD2 LEU 41 -0.115 7.670 -7.330 328 3HD2 LEU 41 3HD2 LEU 41 0.377 6.944 -8.858 329 H SER 42 H SER 42 5.233 6.014 -4.699 330 HA SER 42 HA SER 42 6.698 6.982 -3.274 331 1HB SER 42 2HB SER 42 4.302 8.574 -2.328 332 2HB SER 42 1HB SER 42 5.978 8.908 -1.892 333 HG SER 42 HG SER 42 5.516 8.666 -4.600 334 H SER 43 H SER 43 6.714 7.611 -0.651 335 HA SER 43 HA SER 43 6.071 5.060 0.603 336 1HB SER 43 2HB SER 43 7.520 6.144 2.472 337 2HB SER 43 1HB SER 43 8.314 5.619 0.988 338 HG SER 43 HG SER 43 8.514 7.959 2.001 339 H ASP 44 H ASP 44 6.075 8.434 1.745 340 HA ASP 44 HA ASP 44 3.303 8.122 2.600 341 1HB ASP 44 2HB ASP 44 3.803 9.169 4.809 342 2HB ASP 44 1HB ASP 44 4.502 7.569 4.621 343 HA PRO 45 HA PRO 45 2.990 12.085 0.715 344 1HB PRO 45 2HB PRO 45 0.648 12.895 1.858 345 2HB PRO 45 1HB PRO 45 0.736 11.715 0.544 346 1HG PRO 45 2HG PRO 45 0.438 11.257 3.486 347 2HG PRO 45 1HG PRO 45 -0.387 10.453 2.138 348 1HD PRO 45 2HD PRO 45 1.690 9.322 3.442 349 2HD PRO 45 1HD PRO 45 1.409 9.062 1.708 350 H ARG 46 H ARG 46 3.148 14.331 1.197 351 HA ARG 46 HA ARG 46 4.591 14.808 3.613 352 1HB ARG 46 2HB ARG 46 4.837 17.127 2.765 353 2HB ARG 46 1HB ARG 46 5.363 15.899 1.623 354 1HG ARG 46 2HG ARG 46 3.739 16.400 0.125 355 2HG ARG 46 1HG ARG 46 2.572 16.846 1.373 356 1HD ARG 46 2HD ARG 46 3.873 18.918 1.786 357 2HD ARG 46 1HD ARG 46 4.933 18.482 0.448 358 HE ARG 46 HE ARG 46 3.397 19.398 -0.947 359 1HH1 ARG 46 1HH1 ARG 46 1.700 18.345 1.942 360 2HH1 ARG 46 2HH1 ARG 46 0.150 18.913 1.397 361 1HH2 ARG 46 1HH2 ARG 46 1.368 20.223 -1.624 362 2HH2 ARG 46 2HH2 ARG 46 -0.035 20.006 -0.615 363 H ARG 47 H ARG 47 2.510 14.131 4.832 364 HA ARG 47 HA ARG 47 0.941 16.489 5.529 365 1HB ARG 47 2HB ARG 47 1.005 13.687 6.680 366 2HB ARG 47 1HB ARG 47 0.004 14.980 7.327 367 1HG ARG 47 2HG ARG 47 -1.126 15.153 5.139 368 2HG ARG 47 1HG ARG 47 -0.168 13.785 4.570 369 1HD ARG 47 2HD ARG 47 -1.946 13.659 6.994 370 2HD ARG 47 1HD ARG 47 -2.503 13.254 5.373 371 HE ARG 47 HE ARG 47 -0.131 11.821 6.171 372 1HH1 ARG 47 1HH1 ARG 47 -3.623 11.871 6.472 373 2HH1 ARG 47 2HH1 ARG 47 -3.763 10.145 6.565 374 1HH2 ARG 47 1HH2 ARG 47 -0.322 9.538 6.284 375 2HH2 ARG 47 2HH2 ARG 47 -1.893 8.823 6.469 376 H THR 48 H THR 48 3.233 14.279 7.075 377 HA THR 48 HA THR 48 4.452 16.620 8.364 378 HB THR 48 HB THR 48 4.381 13.847 9.578 379 HG1 THR 48 1HG THR 48 2.306 14.632 9.721 380 1HG2 THR 48 1HG2 THR 48 6.288 15.221 10.257 381 2HG2 THR 48 2HG2 THR 48 5.158 15.007 11.596 382 3HG2 THR 48 3HG2 THR 48 5.192 16.529 10.705 383 HA PRO 49 HA PRO 49 7.391 14.625 5.505 384 1HB PRO 49 2HB PRO 49 8.667 16.856 4.726 385 2HB PRO 49 1HB PRO 49 7.054 16.445 4.129 386 1HG PRO 49 2HG PRO 49 7.845 18.371 6.279 387 2HG PRO 49 1HG PRO 49 6.636 18.561 4.995 388 1HD PRO 49 2HD PRO 49 6.025 17.877 7.577 389 2HD PRO 49 1HD PRO 49 5.030 17.437 6.176 390 H GLU 50 H GLU 50 7.790 15.432 8.531 391 HA GLU 50 HA GLU 50 10.716 15.566 8.477 392 1HB GLU 50 2HB GLU 50 8.765 16.040 10.738 393 2HB GLU 50 1HB GLU 50 10.515 16.140 10.884 394 1HG GLU 50 2HG GLU 50 10.587 17.984 9.344 395 2HG GLU 50 1HG GLU 50 8.859 17.838 9.037 396 H VAL 51 H VAL 51 11.749 13.738 8.623 397 HA VAL 51 HA VAL 51 12.391 11.645 9.221 398 HB VAL 51 HB VAL 51 10.077 11.692 11.176 399 1HG1 VAL 51 1HG1 VAL 51 11.219 9.796 12.247 400 2HG1 VAL 51 2HG1 VAL 51 12.383 9.765 10.920 401 3HG1 VAL 51 3HG1 VAL 51 10.682 9.418 10.608 402 1HG2 VAL 51 1HG2 VAL 51 11.734 13.386 11.700 403 2HG2 VAL 51 2HG2 VAL 51 13.027 12.193 11.582 404 3HG2 VAL 51 3HG2 VAL 51 11.831 12.069 12.871 405 H SER 52 H SER 52 8.855 11.483 9.533 406 HA SER 52 HA SER 52 8.247 10.557 6.992 407 1HB SER 52 2HB SER 52 9.569 8.557 7.510 408 2HB SER 52 1HB SER 52 8.647 8.310 8.993 409 HG SER 52 HG SER 52 7.644 8.190 6.322 410 H ASP 53 H ASP 53 6.078 10.650 6.754 411 HA ASP 53 HA ASP 53 4.468 11.217 9.090 412 1HB ASP 53 2HB ASP 53 4.183 12.402 6.887 413 2HB ASP 53 1HB ASP 53 3.576 10.892 6.214 414 H ASN 54 H ASN 54 5.348 8.561 7.195 415 HA ASN 54 HA ASN 54 5.052 6.336 7.424 416 1HB ASN 54 2HB ASN 54 5.001 6.871 9.889 417 2HB ASN 54 1HB ASN 54 3.244 6.896 9.779 418 1HD2 ASN 54 1HD2 ASN 54 6.086 4.934 9.780 419 2HD2 ASN 54 2HD2 ASN 54 5.285 3.407 9.890 420 HA PRO 55 HA PRO 55 1.474 5.807 4.851 421 1HB PRO 55 2HB PRO 55 1.623 3.043 4.774 422 2HB PRO 55 1HB PRO 55 2.521 4.136 3.713 423 1HG PRO 55 2HG PRO 55 3.412 2.752 6.213 424 2HG PRO 55 1HG PRO 55 4.296 3.010 4.695 425 1HD PRO 55 2HD PRO 55 4.775 4.512 6.858 426 2HD PRO 55 1HD PRO 55 4.803 5.214 5.226 427 H VAL 56 H VAL 56 1.991 4.005 7.825 428 HA VAL 56 HA VAL 56 0.640 3.329 9.501 429 HB VAL 56 HB VAL 56 -1.363 5.234 8.286 430 1HG1 VAL 56 1HG1 VAL 56 -1.274 3.971 11.023 431 2HG1 VAL 56 2HG1 VAL 56 -2.459 3.643 9.757 432 3HG1 VAL 56 3HG1 VAL 56 -2.394 5.235 10.515 433 1HG2 VAL 56 1HG2 VAL 56 0.612 5.620 10.535 434 2HG2 VAL 56 2HG2 VAL 56 -0.590 6.799 10.004 435 3HG2 VAL 56 3HG2 VAL 56 0.724 6.329 8.925 436 H MET 57 H MET 57 -1.765 3.734 6.892 437 HA MET 57 HA MET 57 -3.310 1.579 7.848 438 1HB MET 57 2HB MET 57 -4.265 3.449 6.602 439 2HB MET 57 1HB MET 57 -3.392 2.943 5.162 440 1HG MET 57 2HG MET 57 -4.666 0.904 5.048 441 2HG MET 57 1HG MET 57 -5.474 1.287 6.566 442 1HE MET 57 1HE MET 57 -5.923 4.468 6.179 443 2HE MET 57 2HE MET 57 -7.127 3.374 6.860 444 3HE MET 57 3HE MET 57 -7.569 4.462 5.543 445 H ILE 58 H ILE 58 -1.043 1.777 5.116 446 HA ILE 58 HA ILE 58 -1.632 -0.689 3.960 447 HB ILE 58 HB ILE 58 1.004 0.778 4.033 448 1HG1 ILE 58 2HG1 ILE 58 0.175 0.919 1.481 449 2HG1 ILE 58 1HG1 ILE 58 -1.391 0.800 2.279 450 1HG2 ILE 58 1HG2 ILE 58 0.240 -1.615 2.364 451 2HG2 ILE 58 2HG2 ILE 58 1.460 -1.567 3.637 452 3HG2 ILE 58 3HG2 ILE 58 1.698 -0.644 2.154 453 1HD1 ILE 58 1HD1 ILE 58 0.720 2.888 2.768 454 2HD1 ILE 58 2HD1 ILE 58 -0.810 2.765 3.641 455 3HD1 ILE 58 3HD1 ILE 58 -0.804 3.104 1.911 456 H ALA 59 H ALA 59 0.798 0.051 6.444 457 HA ALA 59 HA ALA 59 1.810 -2.570 6.674 458 1HB ALA 59 1HB ALA 59 1.812 -0.374 8.739 459 2HB ALA 59 2HB ALA 59 3.022 -0.587 7.472 460 3HB ALA 59 3HB ALA 59 2.841 -1.804 8.736 461 H GLU 60 H GLU 60 -0.708 -0.840 8.434 462 HA GLU 60 HA GLU 60 -1.167 -2.855 10.369 463 1HB GLU 60 2HB GLU 60 -1.760 -0.472 10.661 464 2HB GLU 60 1HB GLU 60 -2.991 -0.636 9.420 465 1HG GLU 60 2HG GLU 60 -3.994 -0.686 11.609 466 2HG GLU 60 1HG GLU 60 -4.180 -2.249 10.819 467 H LEU 61 H LEU 61 -2.707 -2.045 7.288 468 HA LEU 61 HA LEU 61 -4.881 -3.831 7.456 469 1HB LEU 61 2HB LEU 61 -4.472 -1.875 5.863 470 2HB LEU 61 1HB LEU 61 -3.520 -2.990 4.916 471 HG LEU 61 HG LEU 61 -5.468 -4.420 4.581 472 1HD1 LEU 61 1HD1 LEU 61 -6.620 -3.942 6.684 473 2HD1 LEU 61 2HD1 LEU 61 -7.682 -3.704 5.296 474 3HD1 LEU 61 3HD1 LEU 61 -6.979 -2.310 6.117 475 1HD2 LEU 61 1HD2 LEU 61 -5.984 -1.526 3.910 476 2HD2 LEU 61 2HD2 LEU 61 -6.747 -2.915 3.139 477 3HD2 LEU 61 3HD2 LEU 61 -5.011 -2.655 2.967 478 H LEU 62 H LEU 62 -1.665 -4.121 6.108 479 HA LEU 62 HA LEU 62 -1.743 -6.507 4.765 480 1HB LEU 62 2HB LEU 62 0.233 -5.111 4.851 481 2HB LEU 62 1HB LEU 62 0.438 -5.444 6.556 482 HG LEU 62 HG LEU 62 0.893 -7.820 6.017 483 1HD1 LEU 62 1HD1 LEU 62 1.327 -8.466 3.705 484 2HD1 LEU 62 2HD1 LEU 62 0.807 -6.872 3.157 485 3HD1 LEU 62 3HD1 LEU 62 -0.350 -7.961 3.923 486 1HD2 LEU 62 1HD2 LEU 62 3.118 -7.462 5.100 487 2HD2 LEU 62 2HD2 LEU 62 2.726 -6.220 6.291 488 3HD2 LEU 62 3HD2 LEU 62 2.656 -5.846 4.568 489 H ARG 63 H ARG 63 -1.577 -6.043 8.245 490 HA ARG 63 HA ARG 63 -1.523 -8.958 8.602 491 1HB ARG 63 2HB ARG 63 -0.826 -8.359 10.983 492 2HB ARG 63 1HB ARG 63 0.339 -8.037 9.707 493 1HG ARG 63 2HG ARG 63 0.497 -6.112 10.927 494 2HG ARG 63 1HG ARG 63 -0.727 -5.645 9.749 495 1HD ARG 63 2HD ARG 63 -1.509 -4.904 11.851 496 2HD ARG 63 1HD ARG 63 -2.457 -6.336 11.449 497 HE ARG 63 HE ARG 63 -0.930 -7.576 12.973 498 1HH1 ARG 63 1HH1 ARG 63 -1.431 -4.128 13.340 499 2HH1 ARG 63 2HH1 ARG 63 -0.931 -4.106 15.006 500 1HH2 ARG 63 1HH2 ARG 63 -0.302 -7.552 15.185 501 2HH2 ARG 63 2HH2 ARG 63 -0.295 -6.039 16.056 502 H GLU 64 H GLU 64 -3.893 -7.139 8.072 503 HA GLU 64 HA GLU 64 -5.480 -8.038 10.385 504 1HB GLU 64 2HB GLU 64 -5.022 -5.558 10.370 505 2HB GLU 64 1HB GLU 64 -5.962 -5.464 8.887 506 1HG GLU 64 2HG GLU 64 -7.339 -4.825 10.734 507 2HG GLU 64 1HG GLU 64 -7.909 -6.368 10.102 508 H PHE 65 H PHE 65 -5.160 -7.869 6.958 509 HA PHE 65 HA PHE 65 -7.924 -8.130 6.298 510 1HB PHE 65 2HB PHE 65 -5.563 -7.663 4.863 511 2HB PHE 65 1HB PHE 65 -6.161 -9.206 4.266 512 HD1 PHE 65 1HD PHE 65 -8.105 -9.340 2.929 513 HD2 PHE 65 2HD PHE 65 -6.977 -5.652 4.712 514 HE1 PHE 65 1HE PHE 65 -9.751 -8.166 1.524 515 HE2 PHE 65 2HE PHE 65 -8.617 -4.468 3.314 516 HZ PHE 65 HZ PHE 65 -10.009 -5.723 1.720 517 HA PRO 66 HA PRO 66 -7.936 -12.563 7.072 518 1HB PRO 66 2HB PRO 66 -10.488 -12.713 7.852 519 2HB PRO 66 1HB PRO 66 -9.258 -11.972 8.880 520 1HG PRO 66 2HG PRO 66 -11.422 -10.700 7.316 521 2HG PRO 66 1HG PRO 66 -10.601 -10.126 8.776 522 1HD PRO 66 2HD PRO 66 -10.088 -9.388 6.047 523 2HD PRO 66 1HD PRO 66 -9.257 -8.819 7.509 524 H GLN 67 H GLN 67 -8.843 -10.990 4.449 525 HA GLN 67 HA GLN 67 -10.824 -12.875 3.439 526 1HB GLN 67 2HB GLN 67 -9.992 -10.158 2.774 527 2HB GLN 67 1HB GLN 67 -10.200 -11.172 1.353 528 1HG GLN 67 2HG GLN 67 -12.284 -10.868 3.500 529 2HG GLN 67 1HG GLN 67 -12.213 -9.864 2.053 530 1HE2 GLN 67 1HE2 GLN 67 -14.185 -10.569 1.298 531 2HE2 GLN 67 2HE2 GLN 67 -14.433 -12.156 0.666 532 H PHE 68 H PHE 68 -7.694 -11.573 2.345 533 HA PHE 68 HA PHE 68 -6.912 -14.147 1.320 534 1HB PHE 68 2HB PHE 68 -6.485 -13.029 -0.999 535 2HB PHE 68 1HB PHE 68 -8.085 -13.652 -0.619 536 HD1 PHE 68 1HD PHE 68 -6.272 -10.425 0.062 537 HD2 PHE 68 2HD PHE 68 -9.746 -12.364 -1.469 538 HE1 PHE 68 1HE PHE 68 -7.262 -8.237 -0.471 539 HE2 PHE 68 2HE PHE 68 -10.740 -10.179 -1.985 540 HZ PHE 68 HZ PHE 68 -9.501 -8.111 -1.488 541 H ASP 69 H ASP 69 -4.747 -13.977 0.199 542 HA ASP 69 HA ASP 69 -3.091 -12.039 1.647 543 1HB ASP 69 2HB ASP 69 -2.251 -14.501 0.093 544 2HB ASP 69 1HB ASP 69 -1.195 -13.480 1.063 545 H TRP 70 H TRP 70 -2.489 -10.275 0.579 546 HA TRP 70 HA TRP 70 -2.087 -10.508 -2.316 547 1HB TRP 70 2HB TRP 70 -2.649 -8.045 -2.422 548 2HB TRP 70 1HB TRP 70 -3.988 -9.126 -2.083 549 HD1 TRP 70 HD TRP 70 -1.996 -8.545 1.022 550 HE1 TRP 70 1HE TRP 70 -3.209 -6.848 2.528 551 HE3 TRP 70 3HE TRP 70 -5.449 -6.828 -2.322 552 HZ2 TRP 70 2HZ TRP 70 -5.342 -5.014 2.321 553 HZ3 TRP 70 3HZ TRP 70 -7.044 -5.100 -1.591 554 HH2 TRP 70 HH TRP 70 -6.990 -4.214 0.685 555 H GLN 71 H GLN 71 -0.484 -9.068 -3.227 556 HA GLN 71 HA GLN 71 1.826 -8.951 -1.449 557 1HB GLN 71 2HB GLN 71 1.539 -8.769 -4.445 558 2HB GLN 71 1HB GLN 71 3.055 -8.433 -3.626 559 1HG GLN 71 2HG GLN 71 3.192 -10.652 -4.370 560 2HG GLN 71 1HG GLN 71 2.901 -10.741 -2.636 561 1HE2 GLN 71 1HE2 GLN 71 0.431 -10.002 -5.011 562 2HE2 GLN 71 2HE2 GLN 71 -0.469 -11.460 -4.803 563 H VAL 72 H VAL 72 2.642 -7.136 -0.671 564 HA VAL 72 HA VAL 72 1.380 -4.609 -1.348 565 HB VAL 72 HB VAL 72 3.453 -5.259 0.761 566 1HG1 VAL 72 1HG1 VAL 72 3.606 -2.941 0.081 567 2HG1 VAL 72 2HG1 VAL 72 2.907 -3.064 1.694 568 3HG1 VAL 72 3HG1 VAL 72 1.868 -2.737 0.306 569 1HG2 VAL 72 1HG2 VAL 72 1.599 -5.046 2.345 570 2HG2 VAL 72 2HG2 VAL 72 1.302 -6.333 1.177 571 3HG2 VAL 72 3HG2 VAL 72 0.483 -4.781 1.005 572 H ALA 73 H ALA 73 2.182 -3.399 -2.918 573 HA ALA 73 HA ALA 73 5.095 -3.419 -3.348 574 1HB ALA 73 1HB ALA 73 3.937 -4.588 -5.164 575 2HB ALA 73 2HB ALA 73 4.678 -3.094 -5.739 576 3HB ALA 73 3HB ALA 73 2.940 -3.161 -5.447 577 H VAL 74 H VAL 74 6.070 -1.479 -3.451 578 HA VAL 74 HA VAL 74 4.383 0.928 -3.522 579 HB VAL 74 HB VAL 74 5.603 1.973 -1.728 580 1HG1 VAL 74 1HG1 VAL 74 5.072 0.515 0.159 581 2HG1 VAL 74 2HG1 VAL 74 4.850 -0.835 -0.952 582 3HG1 VAL 74 3HG1 VAL 74 3.774 0.559 -1.033 583 1HG2 VAL 74 1HG2 VAL 74 7.827 1.080 -2.205 584 2HG2 VAL 74 2HG2 VAL 74 7.319 -0.513 -1.644 585 3HG2 VAL 74 3HG2 VAL 74 7.404 0.836 -0.511 586 H ALA 75 H ALA 75 5.599 2.878 -4.199 587 HA ALA 75 HA ALA 75 7.753 2.070 -6.045 588 1HB ALA 75 1HB ALA 75 5.598 4.112 -6.543 589 2HB ALA 75 2HB ALA 75 5.623 2.469 -7.188 590 3HB ALA 75 3HB ALA 75 6.861 3.627 -7.671 591 H ASP 76 H ASP 76 9.340 3.585 -6.576 592 HA ASP 76 HA ASP 76 10.184 5.376 -4.550 593 1HB ASP 76 2HB ASP 76 11.751 4.296 -6.105 594 2HB ASP 76 1HB ASP 76 11.018 5.150 -7.456 595 H LEU 77 H LEU 77 10.539 7.743 -4.915 596 HA LEU 77 HA LEU 77 8.144 9.084 -5.381 597 1HB LEU 77 2HB LEU 77 10.151 9.882 -4.065 598 2HB LEU 77 1HB LEU 77 10.901 10.296 -5.589 599 HG LEU 77 HG LEU 77 8.238 11.473 -4.862 600 1HD1 LEU 77 1HD1 LEU 77 10.929 12.553 -4.033 601 2HD1 LEU 77 2HD1 LEU 77 9.731 11.852 -2.946 602 3HD1 LEU 77 3HD1 LEU 77 9.369 13.346 -3.809 603 1HD2 LEU 77 1HD2 LEU 77 9.060 13.327 -6.246 604 2HD2 LEU 77 2HD2 LEU 77 9.039 11.806 -7.139 605 3HD2 LEU 77 3HD2 LEU 77 10.563 12.447 -6.524 606 H GLU 78 H GLU 78 10.894 8.506 -7.525 607 HA GLU 78 HA GLU 78 9.928 10.104 -9.670 608 1HB GLU 78 2HB GLU 78 12.297 9.443 -9.364 609 2HB GLU 78 1HB GLU 78 11.859 7.785 -9.733 610 1HG GLU 78 2HG GLU 78 11.138 9.840 -11.727 611 2HG GLU 78 1HG GLU 78 12.849 9.469 -11.540 612 H GLN 79 H GLN 79 9.733 6.663 -8.899 613 HA GLN 79 HA GLN 79 8.323 5.847 -11.193 614 1HB GLN 79 2HB GLN 79 8.815 4.695 -8.499 615 2HB GLN 79 1HB GLN 79 7.453 4.048 -9.402 616 1HG GLN 79 2HG GLN 79 9.493 2.741 -9.721 617 2HG GLN 79 1HG GLN 79 8.895 3.431 -11.228 618 1HE2 GLN 79 1HE2 GLN 79 10.057 5.014 -12.246 619 2HE2 GLN 79 2HE2 GLN 79 11.687 5.415 -11.824 620 H SER 80 H SER 80 7.273 7.343 -8.222 621 HA SER 80 HA SER 80 4.570 6.740 -8.244 622 1HB SER 80 2HB SER 80 5.836 9.366 -7.436 623 2HB SER 80 1HB SER 80 4.263 8.758 -6.913 624 HG SER 80 HG SER 80 6.692 7.359 -6.463 625 H GLU 81 H GLU 81 6.233 9.455 -9.859 626 HA GLU 81 HA GLU 81 3.817 10.443 -11.023 627 1HB GLU 81 2HB GLU 81 5.787 11.890 -10.603 628 2HB GLU 81 1HB GLU 81 6.671 11.015 -11.847 629 1HG GLU 81 2HG GLU 81 5.203 11.799 -13.552 630 2HG GLU 81 1HG GLU 81 4.091 12.470 -12.360 631 H ALA 82 H ALA 82 6.346 8.234 -12.036 632 HA ALA 82 HA ALA 82 5.617 8.003 -14.747 633 1HB ALA 82 1HB ALA 82 6.880 5.928 -12.955 634 2HB ALA 82 2HB ALA 82 7.744 7.166 -13.867 635 3HB ALA 82 3HB ALA 82 6.860 5.898 -14.719 636 H ILE 83 H ILE 83 4.615 6.179 -11.870 637 HA ILE 83 HA ILE 83 2.821 4.455 -13.234 638 HB ILE 83 HB ILE 83 2.871 5.267 -10.320 639 1HG1 ILE 83 2HG1 ILE 83 3.940 2.815 -11.741 640 2HG1 ILE 83 1HG1 ILE 83 4.914 4.131 -11.090 641 1HG2 ILE 83 1HG2 ILE 83 1.517 3.253 -9.925 642 2HG2 ILE 83 2HG2 ILE 83 1.403 2.999 -11.668 643 3HG2 ILE 83 3HG2 ILE 83 0.671 4.427 -10.935 644 1HD1 ILE 83 1HD1 ILE 83 3.170 2.281 -9.477 645 2HD1 ILE 83 2HD1 ILE 83 4.203 3.563 -8.844 646 3HD1 ILE 83 3HD1 ILE 83 4.923 2.168 -9.645 647 H GLY 84 H GLY 84 2.415 7.542 -11.544 648 1HA GLY 84 2HA GLY 84 -0.362 7.798 -11.842 649 2HA GLY 84 1HA GLY 84 0.772 9.137 -11.724 650 H ASP 85 H ASP 85 2.281 8.621 -14.007 651 HA ASP 85 HA ASP 85 0.842 9.882 -16.047 652 1HB ASP 85 2HB ASP 85 3.244 9.962 -15.978 653 2HB ASP 85 1HB ASP 85 3.361 8.219 -16.106 654 H ARG 86 H ARG 86 1.562 6.515 -15.452 655 HA ARG 86 HA ARG 86 0.745 5.276 -17.765 656 1HB ARG 86 2HB ARG 86 1.759 4.088 -15.903 657 2HB ARG 86 1HB ARG 86 0.337 4.362 -14.914 658 1HG ARG 86 2HG ARG 86 0.357 2.093 -15.727 659 2HG ARG 86 1HG ARG 86 -0.987 2.980 -16.442 660 1HD ARG 86 2HD ARG 86 1.259 3.270 -18.153 661 2HD ARG 86 1HD ARG 86 1.104 1.561 -17.745 662 HE ARG 86 HE ARG 86 -0.877 3.210 -19.147 663 1HH1 ARG 86 1HH1 ARG 86 0.157 0.075 -17.977 664 2HH1 ARG 86 2HH1 ARG 86 -1.043 -0.802 -18.866 665 1HH2 ARG 86 1HH2 ARG 86 -2.468 2.070 -20.319 666 2HH2 ARG 86 2HH2 ARG 86 -2.549 0.332 -20.198 667 H PHE 87 H PHE 87 -1.321 6.234 -15.029 668 HA PHE 87 HA PHE 87 -3.640 5.720 -16.766 669 1HB PHE 87 2HB PHE 87 -4.948 5.778 -14.546 670 2HB PHE 87 1HB PHE 87 -3.984 4.358 -14.917 671 HD1 PHE 87 1HD PHE 87 -3.938 7.530 -12.986 672 HD2 PHE 87 2HD PHE 87 -2.393 3.593 -13.423 673 HE1 PHE 87 1HE PHE 87 -2.821 7.731 -10.806 674 HE2 PHE 87 2HE PHE 87 -1.262 3.789 -11.250 675 HZ PHE 87 HZ PHE 87 -1.478 5.860 -9.934 676 H ASN 88 H ASN 88 -1.813 8.197 -16.201 677 HA ASN 88 HA ASN 88 -2.065 10.420 -16.588 678 1HB ASN 88 2HB ASN 88 -3.756 9.389 -18.273 679 2HB ASN 88 1HB ASN 88 -4.988 9.982 -17.165 680 1HD2 ASN 88 1HD2 ASN 88 -5.279 12.214 -16.931 681 2HD2 ASN 88 2HD2 ASN 88 -4.645 13.347 -18.074 682 H VAL 89 H VAL 89 -2.525 9.353 -13.905 683 HA VAL 89 HA VAL 89 -4.049 11.628 -12.840 684 HB VAL 89 HB VAL 89 -4.295 8.785 -11.830 685 1HG1 VAL 89 1HG1 VAL 89 -4.243 10.354 -9.976 686 2HG1 VAL 89 2HG1 VAL 89 -5.866 9.696 -10.185 687 3HG1 VAL 89 3HG1 VAL 89 -5.498 11.327 -10.742 688 1HG2 VAL 89 1HG2 VAL 89 -5.630 9.229 -13.835 689 2HG2 VAL 89 2HG2 VAL 89 -6.363 10.622 -13.038 690 3HG2 VAL 89 3HG2 VAL 89 -6.650 8.996 -12.415 691 H ARG 90 H ARG 90 -2.675 12.816 -11.701 692 HA ARG 90 HA ARG 90 -0.663 11.419 -10.047 693 1HB ARG 90 2HB ARG 90 0.150 12.914 -11.982 694 2HB ARG 90 1HB ARG 90 -0.419 14.268 -11.015 695 1HG ARG 90 2HG ARG 90 1.089 13.552 -9.192 696 2HG ARG 90 1HG ARG 90 1.701 12.270 -10.240 697 1HD ARG 90 2HD ARG 90 3.228 14.113 -10.335 698 2HD ARG 90 1HD ARG 90 2.379 14.018 -11.876 699 HE ARG 90 HE ARG 90 0.901 15.786 -10.428 700 1HH1 ARG 90 1HH1 ARG 90 4.306 15.585 -11.306 701 2HH1 ARG 90 2HH1 ARG 90 4.523 17.316 -11.291 702 1HH2 ARG 90 1HH2 ARG 90 1.215 18.039 -10.403 703 2HH2 ARG 90 2HH2 ARG 90 2.774 18.708 -10.773 704 H ARG 91 H ARG 91 -3.419 12.008 -9.386 705 HA ARG 91 HA ARG 91 -3.446 14.321 -7.667 706 1HB ARG 91 2HB ARG 91 -5.461 12.095 -8.025 707 2HB ARG 91 1HB ARG 91 -5.717 13.534 -7.049 708 1HG ARG 91 2HG ARG 91 -5.571 14.932 -9.020 709 2HG ARG 91 1HG ARG 91 -5.218 13.521 -10.021 710 1HD ARG 91 2HD ARG 91 -7.558 14.145 -10.225 711 2HD ARG 91 1HD ARG 91 -7.404 12.573 -9.444 712 HE ARG 91 HE ARG 91 -7.726 14.965 -7.768 713 1HH1 ARG 91 1HH1 ARG 91 -9.024 11.942 -9.003 714 2HH1 ARG 91 2HH1 ARG 91 -10.368 11.928 -7.896 715 1HH2 ARG 91 1HH2 ARG 91 -9.458 14.916 -6.297 716 2HH2 ARG 91 2HH2 ARG 91 -10.604 13.608 -6.338 717 H PHE 92 H PHE 92 -1.802 13.890 -6.181 718 HA PHE 92 HA PHE 92 -1.111 13.409 -4.074 719 1HB PHE 92 2HB PHE 92 -3.775 11.999 -3.846 720 2HB PHE 92 1HB PHE 92 -2.636 12.173 -2.517 721 HD1 PHE 92 1HD PHE 92 -2.184 14.384 -1.551 722 HD2 PHE 92 2HD PHE 92 -5.142 13.815 -4.559 723 HE1 PHE 92 1HE PHE 92 -3.189 16.556 -0.970 724 HE2 PHE 92 2HE PHE 92 -6.147 15.985 -3.987 725 HZ PHE 92 HZ PHE 92 -5.175 17.355 -2.191 726 HA PRO 93 HA PRO 93 0.650 9.298 -4.338 727 1HB PRO 93 2HB PRO 93 1.392 9.385 -1.553 728 2HB PRO 93 1HB PRO 93 2.431 9.565 -2.964 729 1HG PRO 93 2HG PRO 93 1.877 11.591 -1.203 730 2HG PRO 93 1HG PRO 93 2.348 11.844 -2.893 731 1HD PRO 93 2HD PRO 93 -0.368 11.941 -1.645 732 2HD PRO 93 1HD PRO 93 0.323 12.959 -2.926 733 H ALA 94 H ALA 94 -1.029 7.887 -4.488 734 HA ALA 94 HA ALA 94 -2.446 7.189 -2.007 735 1HB ALA 94 1HB ALA 94 -4.411 6.680 -3.365 736 2HB ALA 94 2HB ALA 94 -3.529 7.143 -4.821 737 3HB ALA 94 3HB ALA 94 -3.898 8.353 -3.593 738 H THR 95 H THR 95 -3.557 4.953 -2.286 739 HA THR 95 HA THR 95 -1.613 3.095 -3.498 740 HB THR 95 HB THR 95 -3.407 2.491 -1.136 741 HG1 THR 95 1HG THR 95 -1.177 4.002 -1.225 742 1HG2 THR 95 1HG2 THR 95 -0.961 1.109 -2.256 743 2HG2 THR 95 2HG2 THR 95 -2.625 0.537 -2.373 744 3HG2 THR 95 3HG2 THR 95 -1.827 0.624 -0.802 745 H LEU 96 H LEU 96 -2.478 2.093 -5.237 746 HA LEU 96 HA LEU 96 -5.379 2.043 -5.497 747 1HB LEU 96 2HB LEU 96 -3.168 1.409 -7.448 748 2HB LEU 96 1HB LEU 96 -4.868 1.204 -7.813 749 HG LEU 96 HG LEU 96 -5.063 3.720 -7.217 750 1HD1 LEU 96 1HD1 LEU 96 -3.053 5.021 -7.675 751 2HD1 LEU 96 2HD1 LEU 96 -2.118 3.531 -7.807 752 3HD1 LEU 96 3HD1 LEU 96 -2.844 3.981 -6.263 753 1HD2 LEU 96 1HD2 LEU 96 -3.683 2.780 -9.726 754 2HD2 LEU 96 2HD2 LEU 96 -4.491 4.335 -9.528 755 3HD2 LEU 96 3HD2 LEU 96 -5.423 2.839 -9.444 756 H VAL 97 H VAL 97 -6.589 0.254 -5.478 757 HA VAL 97 HA VAL 97 -5.278 -2.170 -4.489 758 HB VAL 97 HB VAL 97 -8.216 -1.470 -4.531 759 1HG1 VAL 97 1HG1 VAL 97 -8.441 -3.317 -2.923 760 2HG1 VAL 97 2HG1 VAL 97 -6.729 -3.685 -3.122 761 3HG1 VAL 97 3HG1 VAL 97 -7.834 -3.873 -4.483 762 1HG2 VAL 97 1HG2 VAL 97 -7.966 -1.046 -2.132 763 2HG2 VAL 97 2HG2 VAL 97 -6.969 0.052 -3.089 764 3HG2 VAL 97 3HG2 VAL 97 -6.231 -1.323 -2.266 765 H PHE 98 H PHE 98 -4.877 -3.756 -5.848 766 HA PHE 98 HA PHE 98 -6.644 -4.132 -8.174 767 1HB PHE 98 2HB PHE 98 -3.723 -4.891 -7.891 768 2HB PHE 98 1HB PHE 98 -4.719 -5.148 -9.317 769 HD1 PHE 98 1HD PHE 98 -3.339 -2.486 -7.132 770 HD2 PHE 98 2HD PHE 98 -4.840 -3.526 -10.970 771 HE1 PHE 98 1HE PHE 98 -2.639 -0.290 -7.993 772 HE2 PHE 98 2HE PHE 98 -4.144 -1.334 -11.842 773 HZ PHE 98 HZ PHE 98 -3.050 0.297 -10.351 774 H THR 99 H THR 99 -7.876 -5.888 -7.973 775 HA THR 99 HA THR 99 -6.725 -8.304 -6.807 776 HB THR 99 HB THR 99 -9.134 -8.647 -5.779 777 HG1 THR 99 1HG THR 99 -8.844 -5.826 -5.591 778 1HG2 THR 99 1HG2 THR 99 -7.080 -6.868 -4.458 779 2HG2 THR 99 2HG2 THR 99 -7.023 -8.629 -4.514 780 3HG2 THR 99 3HG2 THR 99 -8.320 -7.818 -3.637 781 H ASP 100 H ASP 100 -7.753 -10.237 -7.527 782 HA ASP 100 HA ASP 100 -8.802 -11.591 -9.046 783 1HB ASP 100 2HB ASP 100 -10.821 -10.180 -8.571 784 2HB ASP 100 1HB ASP 100 -10.361 -9.147 -9.904 785 H GLY 101 H GLY 101 -6.707 -9.313 -9.634 786 1HA GLY 101 2HA GLY 101 -5.223 -9.094 -11.424 787 2HA GLY 101 1HA GLY 101 -6.338 -10.004 -12.434 788 H LYS 102 H LYS 102 -8.195 -7.751 -10.875 789 HA LYS 102 HA LYS 102 -7.727 -5.761 -13.011 790 1HB LYS 102 2HB LYS 102 -10.169 -5.234 -12.878 791 2HB LYS 102 1HB LYS 102 -9.795 -6.827 -13.515 792 1HG LYS 102 2HG LYS 102 -10.555 -7.906 -11.588 793 2HG LYS 102 1HG LYS 102 -10.498 -6.424 -10.629 794 1HD LYS 102 2HD LYS 102 -12.359 -5.503 -11.836 795 2HD LYS 102 1HD LYS 102 -12.344 -6.850 -12.974 796 1HE LYS 102 2HE LYS 102 -12.769 -7.289 -10.035 797 2HE LYS 102 1HE LYS 102 -14.103 -6.848 -11.102 798 1HZ LYS 102 1HZ LYS 102 -13.694 -8.803 -12.419 799 2HZ LYS 102 2HZ LYS 102 -13.888 -9.258 -10.798 800 3HZ LYS 102 3HZ LYS 102 -12.338 -9.213 -11.483 801 H LEU 103 H LEU 103 -8.402 -3.556 -12.518 802 HA LEU 103 HA LEU 103 -7.506 -2.808 -9.873 803 1HB LEU 103 2HB LEU 103 -6.714 -1.548 -11.780 804 2HB LEU 103 1HB LEU 103 -8.354 -1.176 -12.268 805 HG LEU 103 HG LEU 103 -8.645 0.225 -10.280 806 1HD1 LEU 103 1HD1 LEU 103 -6.753 0.758 -8.836 807 2HD1 LEU 103 2HD1 LEU 103 -5.780 -0.454 -9.670 808 3HD1 LEU 103 3HD1 LEU 103 -7.190 -0.948 -8.734 809 1HD2 LEU 103 1HD2 LEU 103 -6.166 0.850 -11.858 810 2HD2 LEU 103 2HD2 LEU 103 -7.077 2.007 -10.887 811 3HD2 LEU 103 3HD2 LEU 103 -7.824 1.260 -12.300 812 H ARG 104 H ARG 104 -8.763 -2.329 -8.199 813 HA ARG 104 HA ARG 104 -11.659 -2.292 -8.570 814 1HB ARG 104 2HB ARG 104 -9.927 -2.360 -6.090 815 2HB ARG 104 1HB ARG 104 -11.684 -2.322 -6.059 816 1HG ARG 104 2HG ARG 104 -10.365 -4.447 -7.649 817 2HG ARG 104 1HG ARG 104 -10.338 -4.578 -5.891 818 1HD ARG 104 2HD ARG 104 -12.243 -5.771 -6.831 819 2HD ARG 104 1HD ARG 104 -12.773 -4.418 -5.837 820 HE ARG 104 HE ARG 104 -12.617 -3.570 -8.510 821 1HH1 ARG 104 1HH1 ARG 104 -14.520 -5.659 -6.448 822 2HH1 ARG 104 2HH1 ARG 104 -15.943 -5.561 -7.439 823 1HH2 ARG 104 1HH2 ARG 104 -14.492 -3.384 -9.788 824 2HH2 ARG 104 2HH2 ARG 104 -15.944 -4.231 -9.322 825 H GLY 105 H GLY 105 -9.062 -0.233 -7.348 826 1HA GLY 105 2HA GLY 105 -9.975 2.183 -8.174 827 2HA GLY 105 1HA GLY 105 -10.863 1.917 -6.681 828 H ALA 106 H ALA 106 -9.594 3.981 -6.275 829 HA ALA 106 HA ALA 106 -6.862 3.392 -5.363 830 1HB ALA 106 1HB ALA 106 -6.525 5.811 -5.334 831 2HB ALA 106 2HB ALA 106 -8.204 6.057 -5.818 832 3HB ALA 106 3HB ALA 106 -7.075 5.264 -6.917 833 H LEU 107 H LEU 107 -6.284 3.571 -3.260 834 HA LEU 107 HA LEU 107 -8.453 3.860 -1.330 835 1HB LEU 107 2HB LEU 107 -6.671 1.977 -1.374 836 2HB LEU 107 1HB LEU 107 -5.589 3.176 -0.702 837 HG LEU 107 HG LEU 107 -6.537 1.683 1.010 838 1HD1 LEU 107 1HD1 LEU 107 -7.224 3.372 2.603 839 2HD1 LEU 107 2HD1 LEU 107 -7.515 4.517 1.294 840 3HD1 LEU 107 3HD1 LEU 107 -5.877 3.960 1.628 841 1HD2 LEU 107 1HD2 LEU 107 -8.904 1.843 1.600 842 2HD2 LEU 107 2HD2 LEU 107 -8.676 1.231 -0.038 843 3HD2 LEU 107 3HD2 LEU 107 -9.172 2.904 0.215 844 H SER 108 H SER 108 -8.847 5.818 -0.579 845 HA SER 108 HA SER 108 -6.687 7.411 0.499 846 1HB SER 108 2HB SER 108 -8.574 8.594 -1.557 847 2HB SER 108 1HB SER 108 -7.314 9.459 -0.676 848 HG SER 108 HG SER 108 -6.161 7.382 -1.820 849 H GLY 109 H GLY 109 -7.582 9.254 1.808 850 1HA GLY 109 2HA GLY 109 -10.326 9.517 2.327 851 2HA GLY 109 1HA GLY 109 -9.652 8.374 3.481 852 H ILE 110 H ILE 110 -10.685 10.462 4.618 853 HA ILE 110 HA ILE 110 -8.561 12.461 4.992 854 HB ILE 110 HB ILE 110 -10.265 13.803 6.168 855 1HG1 ILE 110 2HG1 ILE 110 -12.200 11.652 5.277 856 2HG1 ILE 110 1HG1 ILE 110 -11.665 11.890 6.935 857 1HG2 ILE 110 1HG2 ILE 110 -9.869 14.115 3.773 858 2HG2 ILE 110 2HG2 ILE 110 -11.554 14.427 4.190 859 3HG2 ILE 110 3HG2 ILE 110 -11.105 12.910 3.412 860 1HD1 ILE 110 1HD1 ILE 110 -12.692 14.101 6.950 861 2HD1 ILE 110 2HD1 ILE 110 -13.866 12.843 6.564 862 3HD1 ILE 110 3HD1 ILE 110 -13.219 13.865 5.283 863 H HIS 111 H HIS 111 -9.719 9.660 6.355 864 HA HIS 111 HA HIS 111 -8.793 10.432 9.044 865 1HB HIS 111 2HB HIS 111 -10.559 8.103 8.251 866 2HB HIS 111 1HB HIS 111 -10.053 8.496 9.891 867 HD1 HIS 111 1HD HIS 111 -12.813 8.873 7.690 868 HD2 HIS 111 2HD HIS 111 -11.032 11.276 10.584 869 HE1 HIS 111 1HE HIS 111 -14.559 10.574 8.339 870 HE2 HIS 111 2HE HIS 111 -13.497 11.948 10.167 871 HA PRO 112 HA PRO 112 -5.206 7.893 8.481 872 1HB PRO 112 2HB PRO 112 -4.938 6.992 11.084 873 2HB PRO 112 1HB PRO 112 -4.346 8.545 10.487 874 1HG PRO 112 2HG PRO 112 -6.853 7.920 11.985 875 2HG PRO 112 1HG PRO 112 -5.761 9.308 12.151 876 1HD PRO 112 2HD PRO 112 -8.100 9.512 10.850 877 2HD PRO 112 1HD PRO 112 -6.656 10.392 10.310 878 H TRP 113 H TRP 113 -7.984 6.594 10.232 879 HA TRP 113 HA TRP 113 -7.937 4.209 8.644 880 1HB TRP 113 2HB TRP 113 -6.286 3.623 10.400 881 2HB TRP 113 1HB TRP 113 -7.506 3.933 11.631 882 HD1 TRP 113 HD TRP 113 -9.742 2.253 11.482 883 HE1 TRP 113 1HE TRP 113 -9.811 -0.263 10.933 884 HE3 TRP 113 3HE TRP 113 -5.240 1.823 9.115 885 HZ2 TRP 113 2HZ TRP 113 -8.168 -2.177 9.648 886 HZ3 TRP 113 3HZ TRP 113 -4.561 -0.375 8.250 887 HH2 TRP 113 HH TRP 113 -5.995 -2.333 8.510 888 H ALA 114 H ALA 114 -9.993 4.317 8.057 889 HA ALA 114 HA ALA 114 -12.093 3.581 9.743 890 1HB ALA 114 1HB ALA 114 -13.421 5.635 9.852 891 2HB ALA 114 2HB ALA 114 -12.110 6.530 9.083 892 3HB ALA 114 3HB ALA 114 -11.881 5.838 10.689 893 H GLU 115 H GLU 115 -11.005 5.203 6.890 894 HA GLU 115 HA GLU 115 -13.357 5.325 5.400 895 1HB GLU 115 2HB GLU 115 -10.692 4.868 4.095 896 2HB GLU 115 1HB GLU 115 -12.012 5.904 3.576 897 1HG GLU 115 2HG GLU 115 -10.190 6.416 5.920 898 2HG GLU 115 1HG GLU 115 -10.085 7.187 4.343 899 H LEU 116 H LEU 116 -11.143 2.707 5.947 900 HA LEU 116 HA LEU 116 -11.631 1.079 3.753 901 1HB LEU 116 2HB LEU 116 -10.851 0.443 6.583 902 2HB LEU 116 1HB LEU 116 -10.987 -0.798 5.352 903 HG LEU 116 HG LEU 116 -9.157 1.587 5.111 904 1HD1 LEU 116 1HD1 LEU 116 -8.520 0.215 7.035 905 2HD1 LEU 116 2HD1 LEU 116 -7.354 0.064 5.720 906 3HD1 LEU 116 3HD1 LEU 116 -8.525 -1.222 6.013 907 1HD2 LEU 116 1HD2 LEU 116 -8.114 0.262 3.350 908 2HD2 LEU 116 2HD2 LEU 116 -9.821 0.530 3.000 909 3HD2 LEU 116 3HD2 LEU 116 -9.284 -1.033 3.614 910 H LEU 117 H LEU 117 -13.520 1.497 6.680 911 HA LEU 117 HA LEU 117 -14.927 -0.933 6.604 912 1HB LEU 117 2HB LEU 117 -15.521 1.732 7.844 913 2HB LEU 117 1HB LEU 117 -16.683 0.424 7.925 914 HG LEU 117 HG LEU 117 -15.406 0.500 9.974 915 1HD1 LEU 117 1HD1 LEU 117 -14.571 -1.838 8.266 916 2HD1 LEU 117 2HD1 LEU 117 -16.083 -1.693 9.158 917 3HD1 LEU 117 3HD1 LEU 117 -14.553 -1.785 10.029 918 1HD2 LEU 117 1HD2 LEU 117 -12.959 0.131 8.255 919 2HD2 LEU 117 2HD2 LEU 117 -13.000 0.129 10.019 920 3HD2 LEU 117 3HD2 LEU 117 -13.397 1.599 9.129 921 H THR 118 H THR 118 -15.544 2.153 5.048 922 HA THR 118 HA THR 118 -18.074 1.236 3.966 923 HB THR 118 HB THR 118 -16.589 3.764 3.234 924 HG1 THR 118 1HG THR 118 -18.474 4.297 5.014 925 1HG2 THR 118 1HG2 THR 118 -19.528 3.045 3.228 926 2HG2 THR 118 2HG2 THR 118 -18.491 3.185 1.807 927 3HG2 THR 118 3HG2 THR 118 -18.850 4.611 2.779 928 H LEU 119 H LEU 119 -14.780 1.879 2.854 929 HA LEU 119 HA LEU 119 -15.336 1.610 0.092 930 1HB LEU 119 2HB LEU 119 -12.747 1.357 1.616 931 2HB LEU 119 1HB LEU 119 -12.862 1.387 -0.135 932 HG LEU 119 HG LEU 119 -13.714 3.628 1.703 933 1HD1 LEU 119 1HD1 LEU 119 -11.777 4.815 0.823 934 2HD1 LEU 119 2HD1 LEU 119 -11.316 3.390 -0.109 935 3HD1 LEU 119 3HD1 LEU 119 -11.289 3.337 1.655 936 1HD2 LEU 119 1HD2 LEU 119 -15.024 3.513 -0.370 937 2HD2 LEU 119 2HD2 LEU 119 -13.529 3.527 -1.307 938 3HD2 LEU 119 3HD2 LEU 119 -13.972 4.929 -0.334 939 H MET 120 H MET 120 -13.971 -0.693 2.460 940 HA MET 120 HA MET 120 -13.320 -2.700 0.615 941 1HB MET 120 2HB MET 120 -14.042 -2.942 3.538 942 2HB MET 120 1HB MET 120 -13.401 -4.264 2.572 943 1HG MET 120 2HG MET 120 -11.371 -2.925 2.148 944 2HG MET 120 1HG MET 120 -12.011 -1.670 3.210 945 1HE MET 120 1HE MET 120 -13.463 -3.570 5.398 946 2HE MET 120 2HE MET 120 -12.545 -2.131 5.841 947 3HE MET 120 3HE MET 120 -12.205 -3.672 6.631 948 H ARG 121 H ARG 121 -16.348 -1.992 2.245 949 HA ARG 121 HA ARG 121 -17.723 -4.349 1.799 950 1HB ARG 121 2HB ARG 121 -18.534 -1.489 2.070 951 2HB ARG 121 1HB ARG 121 -19.729 -2.714 1.708 952 1HG ARG 121 2HG ARG 121 -18.953 -3.939 3.751 953 2HG ARG 121 1HG ARG 121 -17.971 -2.521 4.133 954 1HD ARG 121 2HD ARG 121 -20.072 -1.157 4.023 955 2HD ARG 121 1HD ARG 121 -20.971 -2.668 3.884 956 HE ARG 121 HE ARG 121 -19.251 -2.081 6.209 957 1HH1 ARG 121 1HH1 ARG 121 -22.270 -3.223 4.838 958 2HH1 ARG 121 2HH1 ARG 121 -23.014 -3.488 6.387 959 1HH2 ARG 121 1HH2 ARG 121 -20.228 -2.442 8.235 960 2HH2 ARG 121 2HH2 ARG 121 -21.867 -3.041 8.313 961 H SER 122 H SER 122 -17.698 -1.431 -0.224 962 HA SER 122 HA SER 122 -19.228 -2.616 -2.305 963 1HB SER 122 2HB SER 122 -19.036 -0.138 -1.841 964 2HB SER 122 1HB SER 122 -17.425 -0.200 -2.552 965 HG SER 122 HG SER 122 -18.304 -0.176 -4.454 966 H ILE 123 H ILE 123 -15.821 -2.443 -1.615 967 HA ILE 123 HA ILE 123 -14.882 -3.056 -4.226 968 HB ILE 123 HB ILE 123 -13.539 -3.312 -1.535 969 1HG1 ILE 123 2HG1 ILE 123 -14.060 -1.017 -2.145 970 2HG1 ILE 123 1HG1 ILE 123 -12.323 -1.286 -2.274 971 1HG2 ILE 123 1HG2 ILE 123 -12.525 -4.860 -3.116 972 2HG2 ILE 123 2HG2 ILE 123 -11.435 -3.522 -2.752 973 3HG2 ILE 123 3HG2 ILE 123 -12.318 -3.549 -4.278 974 1HD1 ILE 123 1HD1 ILE 123 -12.571 -1.517 -4.710 975 2HD1 ILE 123 2HD1 ILE 123 -13.120 0.053 -4.124 976 3HD1 ILE 123 3HD1 ILE 123 -14.296 -1.189 -4.554 977 H VAL 124 H VAL 124 -15.407 -5.056 -1.311 978 HA VAL 124 HA VAL 124 -15.390 -7.408 -3.063 979 HB VAL 124 HB VAL 124 -14.231 -8.686 -1.176 980 1HG1 VAL 124 1HG1 VAL 124 -13.145 -8.191 -3.291 981 2HG1 VAL 124 2HG1 VAL 124 -11.997 -8.038 -1.960 982 3HG1 VAL 124 3HG1 VAL 124 -12.688 -6.595 -2.697 983 1HG2 VAL 124 1HG2 VAL 124 -13.421 -5.891 -0.367 984 2HG2 VAL 124 2HG2 VAL 124 -12.754 -7.389 0.282 985 3HG2 VAL 124 3HG2 VAL 124 -14.444 -6.977 0.572 986 H ASP 125 H ASP 125 -17.712 -6.996 -2.812 987 HA ASP 125 HA ASP 125 -19.129 -7.367 -0.432 988 1HB ASP 125 2HB ASP 125 -20.294 -6.574 -2.359 989 2HB ASP 125 1HB ASP 125 -19.827 -7.979 -3.304 990 H THR 126 H THR 126 -18.096 -9.714 -2.862 991 HA THR 126 HA THR 126 -17.591 -11.912 -2.764 992 HB THR 126 HB THR 126 -17.421 -11.691 0.233 993 HG1 THR 126 1HG THR 126 -16.287 -9.916 -0.635 994 1HG2 THR 126 1HG2 THR 126 -15.863 -13.275 -1.823 995 2HG2 THR 126 2HG2 THR 126 -17.096 -13.915 -0.738 996 3HG2 THR 126 3HG2 THR 126 -15.581 -13.299 -0.083 997 HA PRO 127 HA PRO 127 -21.812 -13.406 -1.883 998 1HB PRO 127 2HB PRO 127 -21.030 -15.334 -3.966 999 2HB PRO 127 1HB PRO 127 -22.439 -14.273 -3.903 1000 1HG PRO 127 2HG PRO 127 -20.413 -13.830 -5.610 1001 2HG PRO 127 1HG PRO 127 -21.308 -12.496 -4.858 1002 1HD PRO 127 2HD PRO 127 -18.624 -13.618 -4.160 1003 2HD PRO 127 1HD PRO 127 -19.157 -11.924 -4.205 1004 H ALA 128 H ALA 128 -22.250 -14.912 -0.418 1005 HA ALA 128 HA ALA 128 -22.183 -16.767 0.882 1006 1HB ALA 128 1HB ALA 128 -20.336 -17.908 -1.211 1007 2HB ALA 128 2HB ALA 128 -22.096 -18.022 -1.219 1008 3HB ALA 128 3HB ALA 128 -21.165 -18.815 0.051 1009 H ALA 129 H ALA 129 -20.142 -14.577 1.098 1010 HA ALA 129 HA ALA 129 -17.798 -15.832 2.195 1011 1HB ALA 129 1HB ALA 129 -17.186 -13.575 2.914 1012 2HB ALA 129 2HB ALA 129 -18.785 -12.993 2.453 1013 3HB ALA 129 3HB ALA 129 -17.680 -13.597 1.220 1014 H GLN 130 H GLN 130 -17.181 -15.751 4.443 1015 HA GLN 130 HA GLN 130 -19.396 -16.345 6.201 1016 1HB GLN 130 2HB GLN 130 -16.421 -16.238 6.747 1017 2HB GLN 130 1HB GLN 130 -17.637 -16.836 7.868 1018 1HG GLN 130 2HG GLN 130 -18.238 -18.577 6.214 1019 2HG GLN 130 1HG GLN 130 -16.917 -18.009 5.194 1020 1HE2 GLN 130 1HE2 GLN 130 -15.220 -17.433 7.521 1021 2HE2 GLN 130 2HE2 GLN 130 -14.656 -18.970 8.087 1022 H GLU 131 H GLU 131 -20.237 -15.067 7.751 1023 HA GLU 131 HA GLU 131 -19.262 -12.319 7.788 1024 1HB GLU 131 2HB GLU 131 -21.462 -11.867 8.978 1025 2HB GLU 131 1HB GLU 131 -21.553 -12.357 7.297 1026 1HG GLU 131 2HG GLU 131 -23.259 -13.535 8.326 1027 2HG GLU 131 1HG GLU 131 -21.961 -14.716 8.183 1028 H THR 132 H THR 132 -18.639 -11.242 9.590 1029 HA THR 132 HA THR 132 -18.875 -12.426 12.213 1030 HB THR 132 HB THR 132 -16.110 -11.868 11.097 1031 HG1 THR 132 1HG THR 132 -17.662 -14.065 10.926 1032 1HG2 THR 132 1HG2 THR 132 -15.329 -12.862 13.205 1033 2HG2 THR 132 2HG2 THR 132 -17.001 -13.028 13.744 1034 3HG2 THR 132 3HG2 THR 132 -16.308 -11.424 13.495 1035 H VAL 133 H VAL 133 -20.033 -10.593 12.762 1036 HA VAL 133 HA VAL 133 -18.458 -8.111 12.895 1037 HB VAL 133 HB VAL 133 -20.572 -6.819 12.483 1038 1HG1 VAL 133 1HG1 VAL 133 -20.504 -7.068 10.043 1039 2HG1 VAL 133 2HG1 VAL 133 -19.600 -8.573 10.228 1040 3HG1 VAL 133 3HG1 VAL 133 -18.887 -7.045 10.746 1041 1HG2 VAL 133 1HG2 VAL 133 -22.193 -8.574 12.941 1042 2HG2 VAL 133 2HG2 VAL 133 -21.605 -9.501 11.561 1043 3HG2 VAL 133 3HG2 VAL 133 -22.407 -7.951 11.304 1044 H GLN 134 H GLN 134 -18.439 -7.163 14.821 1045 HA GLN 134 HA GLN 134 -20.157 -8.174 16.938 1046 1HB GLN 134 2HB GLN 134 -17.743 -7.818 17.348 1047 2HB GLN 134 1HB GLN 134 -17.953 -6.103 17.030 1048 1HG GLN 134 2HG GLN 134 -19.363 -5.870 18.967 1049 2HG GLN 134 1HG GLN 134 -19.309 -7.608 19.254 1050 1HE2 GLN 134 1HE2 GLN 134 -17.457 -8.538 20.089 1051 2HE2 GLN 134 2HE2 GLN 134 -16.176 -7.599 20.792
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